USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 640 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 78 ASN : amide:sc= 0.251 K(o=1.5,f=-13!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -176:sc= 1.24 (180deg=0) USER MOD Set 2.1: A 5 HIS :FLIP no HD1:sc= 0.527 F(o=1.9,f=3.3) USER MOD Set 2.2: A 6 SER OG : rot -83:sc= 1.62 USER MOD Set 2.3: A 8 SER OG : rot 19:sc= 1.18 USER MOD Single : A 4 LYS NZ :NH3+ 177:sc= 1.18 (180deg=1.12) USER MOD Single : A 10 TYR OH : rot 30:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.72! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -170:sc= -0.428 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -158:sc= -1.11! USER MOD Single : A 46 HIS : no HD1:sc= -3.44! C(o=-3.4!,f=-8.5!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 1:sc= 1.26 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -170:sc= -0.0937 USER MOD Single : A 69 LYS NZ :NH3+ 169:sc= 1.26 (180deg=1.22) USER MOD Single : A 72 LYS NZ :NH3+ -176:sc= 1.16 (180deg=1.06) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.23) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.199 F(o=-1.6!,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 4 9.887 10.255 -3.744 1.00 0.00 N ATOM 36 CA LYS A 4 8.607 10.923 -3.614 1.00 0.00 C ATOM 37 C LYS A 4 8.656 11.785 -2.363 1.00 0.00 C ATOM 38 O LYS A 4 9.617 11.692 -1.582 1.00 0.00 O ATOM 39 CB LYS A 4 7.413 9.938 -3.488 1.00 0.00 C ATOM 40 CG LYS A 4 7.298 9.191 -2.141 1.00 0.00 C ATOM 41 CD LYS A 4 8.330 8.085 -1.961 1.00 0.00 C ATOM 42 CE LYS A 4 8.283 7.544 -0.550 1.00 0.00 C ATOM 43 NZ LYS A 4 9.212 6.401 -0.325 1.00 0.00 N ATOM 0 HA LYS A 4 8.444 11.509 -4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.490 10.493 -3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.490 9.200 -4.286 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.403 9.909 -1.328 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.300 8.761 -2.059 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.139 7.281 -2.672 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.327 8.470 -2.176 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.529 8.345 0.147 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.265 7.226 -0.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.169 6.110 0.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.934 5.603 -0.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.183 6.691 -0.559 1.00 0.00 H new ATOM 57 N HIS A 5 7.648 12.596 -2.152 1.00 0.00 N ATOM 58 CA HIS A 5 7.593 13.425 -0.957 1.00 0.00 C ATOM 59 C HIS A 5 6.618 12.862 0.092 1.00 0.00 C ATOM 60 O HIS A 5 6.779 13.096 1.297 1.00 0.00 O ATOM 61 CB HIS A 5 7.304 14.914 -1.296 1.00 0.00 C ATOM 62 CG HIS A 5 6.040 15.176 -2.080 1.00 0.00 C ATOM 63 ND1 HIS A 5 4.780 15.434 -1.652 1.00 0.00 N flip ATOM 64 CD2 HIS A 5 5.981 15.196 -3.456 1.00 0.00 C flip ATOM 65 CE1 HIS A 5 3.948 15.608 -2.757 1.00 0.00 C flip ATOM 66 NE2 HIS A 5 4.723 15.453 -3.812 1.00 0.00 N flip ATOM 0 H HIS A 5 6.855 12.705 -2.784 1.00 0.00 H new ATOM 0 HA HIS A 5 8.584 13.396 -0.504 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.254 15.476 -0.364 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.148 15.309 -1.861 1.00 0.00 H new ATOM 0 HD2 HIS A 5 6.810 15.032 -4.129 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.890 15.824 -2.750 1.00 0.00 H new ATOM 0 HE2 HIS A 5 4.401 15.521 -4.777 1.00 0.00 H new ATOM 74 N SER A 6 5.644 12.086 -0.348 1.00 0.00 N ATOM 75 CA SER A 6 4.655 11.541 0.559 1.00 0.00 C ATOM 76 C SER A 6 3.893 10.416 -0.105 1.00 0.00 C ATOM 77 O SER A 6 4.162 10.088 -1.270 1.00 0.00 O ATOM 78 CB SER A 6 3.686 12.653 0.956 1.00 0.00 C ATOM 79 OG SER A 6 3.148 13.247 -0.206 1.00 0.00 O ATOM 0 H SER A 6 5.518 11.821 -1.325 1.00 0.00 H new ATOM 0 HA SER A 6 5.155 11.145 1.443 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.885 12.248 1.574 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.203 13.403 1.555 1.00 0.00 H new ATOM 0 HG SER A 6 3.774 13.919 -0.550 1.00 0.00 H new ATOM 85 N ILE A 7 2.949 9.823 0.625 1.00 0.00 N ATOM 86 CA ILE A 7 2.072 8.818 0.049 1.00 0.00 C ATOM 87 C ILE A 7 1.132 9.500 -0.951 1.00 0.00 C ATOM 88 O ILE A 7 0.712 8.910 -1.933 1.00 0.00 O ATOM 89 CB ILE A 7 1.220 8.070 1.128 1.00 0.00 C ATOM 90 CG1 ILE A 7 0.435 6.926 0.469 1.00 0.00 C ATOM 91 CG2 ILE A 7 0.282 9.027 1.868 1.00 0.00 C ATOM 92 CD1 ILE A 7 -0.441 6.147 1.409 1.00 0.00 C ATOM 0 H ILE A 7 2.777 10.023 1.610 1.00 0.00 H new ATOM 0 HA ILE A 7 2.699 8.073 -0.441 1.00 0.00 H new ATOM 0 HB ILE A 7 1.898 7.651 1.871 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.185 7.339 -0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.141 6.241 -0.000 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.293 8.472 2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.869 9.798 2.367 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.398 9.493 1.155 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.957 5.360 0.858 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.172 5.700 2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.175 6.815 1.860 1.00 0.00 H new ATOM 104 N SER A 8 0.880 10.775 -0.712 1.00 0.00 N ATOM 105 CA SER A 8 -0.007 11.550 -1.511 1.00 0.00 C ATOM 106 C SER A 8 0.642 11.987 -2.825 1.00 0.00 C ATOM 107 O SER A 8 0.002 12.620 -3.663 1.00 0.00 O ATOM 108 CB SER A 8 -0.542 12.711 -0.678 1.00 0.00 C ATOM 109 OG SER A 8 0.521 13.365 -0.008 1.00 0.00 O ATOM 0 H SER A 8 1.301 11.294 0.059 1.00 0.00 H new ATOM 0 HA SER A 8 -0.857 10.938 -1.813 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.066 13.418 -1.321 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.267 12.343 0.048 1.00 0.00 H new ATOM 0 HG SER A 8 1.370 13.135 -0.440 1.00 0.00 H new ATOM 115 N ASP A 9 1.922 11.660 -2.996 1.00 0.00 N ATOM 116 CA ASP A 9 2.583 11.878 -4.277 1.00 0.00 C ATOM 117 C ASP A 9 2.241 10.721 -5.208 1.00 0.00 C ATOM 118 O ASP A 9 2.283 10.837 -6.436 1.00 0.00 O ATOM 119 CB ASP A 9 4.100 12.020 -4.133 1.00 0.00 C ATOM 120 CG ASP A 9 4.777 12.279 -5.472 1.00 0.00 C ATOM 121 OD1 ASP A 9 4.495 13.311 -6.117 1.00 0.00 O ATOM 122 OD2 ASP A 9 5.592 11.458 -5.910 1.00 0.00 O ATOM 0 H ASP A 9 2.513 11.249 -2.274 1.00 0.00 H new ATOM 0 HA ASP A 9 2.222 12.818 -4.694 1.00 0.00 H new ATOM 0 HB2 ASP A 9 4.324 12.838 -3.449 1.00 0.00 H new ATOM 0 HB3 ASP A 9 4.509 11.112 -3.689 1.00 0.00 H new ATOM 127 N TYR A 10 1.871 9.619 -4.608 1.00 0.00 N ATOM 128 CA TYR A 10 1.428 8.467 -5.334 1.00 0.00 C ATOM 129 C TYR A 10 -0.066 8.600 -5.555 1.00 0.00 C ATOM 130 O TYR A 10 -0.778 9.126 -4.703 1.00 0.00 O ATOM 131 CB TYR A 10 1.702 7.171 -4.544 1.00 0.00 C ATOM 132 CG TYR A 10 3.151 6.710 -4.475 1.00 0.00 C ATOM 133 CD1 TYR A 10 3.666 5.901 -5.478 1.00 0.00 C ATOM 134 CD2 TYR A 10 3.994 7.031 -3.398 1.00 0.00 C ATOM 135 CE1 TYR A 10 4.960 5.434 -5.429 1.00 0.00 C ATOM 136 CE2 TYR A 10 5.285 6.551 -3.348 1.00 0.00 C ATOM 137 CZ TYR A 10 5.763 5.758 -4.363 1.00 0.00 C ATOM 138 OH TYR A 10 7.053 5.271 -4.303 1.00 0.00 O ATOM 0 H TYR A 10 1.870 9.500 -3.595 1.00 0.00 H new ATOM 0 HA TYR A 10 1.967 8.411 -6.279 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.339 7.309 -3.525 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.110 6.370 -4.987 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.038 5.632 -6.315 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.627 7.660 -2.601 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.343 4.815 -6.227 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.921 6.798 -2.511 1.00 0.00 H new ATOM 0 HH TYR A 10 7.399 5.148 -5.212 1.00 0.00 H new ATOM 148 N THR A 11 -0.541 8.184 -6.692 1.00 0.00 N ATOM 149 CA THR A 11 -1.964 8.184 -6.937 1.00 0.00 C ATOM 150 C THR A 11 -2.509 6.874 -6.376 1.00 0.00 C ATOM 151 O THR A 11 -1.706 6.020 -5.958 1.00 0.00 O ATOM 152 CB THR A 11 -2.264 8.274 -8.452 1.00 0.00 C ATOM 153 OG1 THR A 11 -1.731 7.131 -9.120 1.00 0.00 O ATOM 154 CG2 THR A 11 -1.650 9.530 -9.057 1.00 0.00 C ATOM 0 H THR A 11 0.028 7.840 -7.465 1.00 0.00 H new ATOM 0 HA THR A 11 -2.432 9.046 -6.461 1.00 0.00 H new ATOM 0 HB THR A 11 -3.346 8.313 -8.579 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.925 7.192 -10.079 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.876 9.568 -10.123 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.065 10.410 -8.566 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.569 9.511 -8.916 1.00 0.00 H new ATOM 162 N GLU A 12 -3.828 6.670 -6.364 1.00 0.00 N ATOM 163 CA GLU A 12 -4.355 5.400 -5.877 1.00 0.00 C ATOM 164 C GLU A 12 -3.893 4.309 -6.826 1.00 0.00 C ATOM 165 O GLU A 12 -3.539 3.231 -6.409 1.00 0.00 O ATOM 166 CB GLU A 12 -5.897 5.379 -5.767 1.00 0.00 C ATOM 167 CG GLU A 12 -6.416 4.117 -5.062 1.00 0.00 C ATOM 168 CD GLU A 12 -7.919 3.958 -5.070 1.00 0.00 C ATOM 169 OE1 GLU A 12 -8.621 4.746 -4.429 1.00 0.00 O ATOM 170 OE2 GLU A 12 -8.429 3.013 -5.716 1.00 0.00 O ATOM 0 H GLU A 12 -4.528 7.344 -6.675 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.977 5.243 -4.867 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.232 6.261 -5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.331 5.439 -6.765 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.970 3.243 -5.537 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.072 4.128 -4.028 1.00 0.00 H new ATOM 177 N ALA A 13 -3.830 4.652 -8.102 1.00 0.00 N ATOM 178 CA ALA A 13 -3.390 3.736 -9.145 1.00 0.00 C ATOM 179 C ALA A 13 -1.910 3.361 -8.984 1.00 0.00 C ATOM 180 O ALA A 13 -1.552 2.185 -9.085 1.00 0.00 O ATOM 181 CB ALA A 13 -3.643 4.335 -10.512 1.00 0.00 C ATOM 0 H ALA A 13 -4.084 5.578 -8.447 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.971 2.819 -9.049 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.309 3.639 -11.282 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.709 4.526 -10.634 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.093 5.271 -10.606 1.00 0.00 H new ATOM 187 N GLU A 14 -1.063 4.352 -8.711 1.00 0.00 N ATOM 188 CA GLU A 14 0.378 4.109 -8.512 1.00 0.00 C ATOM 189 C GLU A 14 0.610 3.369 -7.221 1.00 0.00 C ATOM 190 O GLU A 14 1.505 2.537 -7.117 1.00 0.00 O ATOM 191 CB GLU A 14 1.172 5.416 -8.514 1.00 0.00 C ATOM 192 CG GLU A 14 1.117 6.176 -9.824 1.00 0.00 C ATOM 193 CD GLU A 14 1.719 5.407 -10.959 1.00 0.00 C ATOM 194 OE1 GLU A 14 1.017 4.619 -11.602 1.00 0.00 O ATOM 195 OE2 GLU A 14 2.912 5.587 -11.241 1.00 0.00 O ATOM 0 H GLU A 14 -1.341 5.329 -8.621 1.00 0.00 H new ATOM 0 HA GLU A 14 0.729 3.499 -9.345 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.794 6.058 -7.718 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.213 5.196 -8.279 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.079 6.413 -10.060 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.643 7.124 -9.713 1.00 0.00 H new ATOM 202 N PHE A 15 -0.196 3.660 -6.248 1.00 0.00 N ATOM 203 CA PHE A 15 -0.126 2.979 -4.990 1.00 0.00 C ATOM 204 C PHE A 15 -0.636 1.572 -5.154 1.00 0.00 C ATOM 205 O PHE A 15 -0.188 0.677 -4.518 1.00 0.00 O ATOM 206 CB PHE A 15 -0.889 3.722 -3.919 1.00 0.00 C ATOM 207 CG PHE A 15 -0.674 3.160 -2.563 1.00 0.00 C ATOM 208 CD1 PHE A 15 0.441 3.516 -1.834 1.00 0.00 C ATOM 209 CD2 PHE A 15 -1.580 2.279 -2.016 1.00 0.00 C ATOM 210 CE1 PHE A 15 0.648 2.998 -0.587 1.00 0.00 C ATOM 211 CE2 PHE A 15 -1.383 1.761 -0.773 1.00 0.00 C ATOM 212 CZ PHE A 15 -0.266 2.119 -0.058 1.00 0.00 C ATOM 0 H PHE A 15 -0.921 4.375 -6.302 1.00 0.00 H new ATOM 0 HA PHE A 15 0.914 2.941 -4.666 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -0.587 4.769 -3.925 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.953 3.696 -4.153 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.156 4.209 -2.252 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.457 1.996 -2.580 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.524 3.278 -0.021 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.100 1.073 -0.351 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.105 1.707 0.927 1.00 0.00 H new ATOM 222 N LEU A 16 -1.561 1.389 -6.019 1.00 0.00 N ATOM 223 CA LEU A 16 -2.076 0.074 -6.309 1.00 0.00 C ATOM 224 C LEU A 16 -1.021 -0.736 -7.024 1.00 0.00 C ATOM 225 O LEU A 16 -1.007 -1.958 -6.987 1.00 0.00 O ATOM 226 CB LEU A 16 -3.374 0.230 -7.075 1.00 0.00 C ATOM 227 CG LEU A 16 -4.263 -0.945 -7.091 1.00 0.00 C ATOM 228 CD1 LEU A 16 -5.700 -0.504 -7.196 1.00 0.00 C ATOM 229 CD2 LEU A 16 -3.958 -1.821 -8.219 1.00 0.00 C ATOM 0 H LEU A 16 -1.995 2.140 -6.557 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.308 -0.484 -5.402 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.924 1.070 -6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.135 0.493 -8.105 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.105 -1.493 -6.162 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.349 -1.379 -7.207 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.951 0.123 -6.341 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.840 0.063 -8.116 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.630 -2.679 -8.205 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.090 -1.272 -9.152 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.927 -2.166 -8.143 1.00 0.00 H new ATOM 241 N GLU A 17 -0.133 -0.058 -7.620 1.00 0.00 N ATOM 242 CA GLU A 17 1.013 -0.687 -8.155 1.00 0.00 C ATOM 243 C GLU A 17 2.035 -1.038 -7.046 1.00 0.00 C ATOM 244 O GLU A 17 2.882 -1.877 -7.260 1.00 0.00 O ATOM 245 CB GLU A 17 1.642 0.060 -9.327 1.00 0.00 C ATOM 246 CG GLU A 17 0.768 0.082 -10.575 1.00 0.00 C ATOM 247 CD GLU A 17 1.465 0.673 -11.780 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.691 0.898 -11.731 1.00 0.00 O ATOM 249 OE2 GLU A 17 0.807 0.885 -12.818 1.00 0.00 O ATOM 0 H GLU A 17 -0.172 0.952 -7.756 1.00 0.00 H new ATOM 0 HA GLU A 17 0.667 -1.626 -8.588 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.853 1.085 -9.023 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.598 -0.403 -9.571 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.453 -0.935 -10.808 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.135 0.656 -10.368 1.00 0.00 H new ATOM 256 N PHE A 18 1.936 -0.375 -5.851 1.00 0.00 N ATOM 257 CA PHE A 18 2.829 -0.686 -4.675 1.00 0.00 C ATOM 258 C PHE A 18 2.731 -2.146 -4.400 1.00 0.00 C ATOM 259 O PHE A 18 3.711 -2.866 -4.396 1.00 0.00 O ATOM 260 CB PHE A 18 2.458 0.149 -3.334 1.00 0.00 C ATOM 261 CG PHE A 18 1.722 -0.596 -2.109 1.00 0.00 C ATOM 262 CD1 PHE A 18 0.332 -0.833 -2.089 1.00 0.00 C ATOM 263 CD2 PHE A 18 2.440 -1.031 -0.992 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.288 -1.483 -0.997 1.00 0.00 C ATOM 265 CE2 PHE A 18 1.810 -1.672 0.082 1.00 0.00 C ATOM 266 CZ PHE A 18 0.458 -1.895 0.071 1.00 0.00 C ATOM 0 H PHE A 18 1.259 0.367 -5.673 1.00 0.00 H new ATOM 0 HA PHE A 18 3.843 -0.388 -4.940 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.385 0.574 -2.948 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.826 0.984 -3.635 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.271 -0.511 -2.925 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.507 -0.869 -0.956 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.354 -1.654 -1.007 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.397 -1.995 0.929 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.016 -2.394 0.903 1.00 0.00 H new ATOM 276 N VAL A 19 1.523 -2.569 -4.278 1.00 0.00 N ATOM 277 CA VAL A 19 1.201 -3.906 -3.921 1.00 0.00 C ATOM 278 C VAL A 19 1.472 -4.868 -5.065 1.00 0.00 C ATOM 279 O VAL A 19 1.929 -5.987 -4.846 1.00 0.00 O ATOM 280 CB VAL A 19 -0.250 -3.989 -3.401 1.00 0.00 C ATOM 281 CG1 VAL A 19 -1.237 -3.485 -4.403 1.00 0.00 C ATOM 282 CG2 VAL A 19 -0.595 -5.367 -2.882 1.00 0.00 C ATOM 0 H VAL A 19 0.706 -1.977 -4.428 1.00 0.00 H new ATOM 0 HA VAL A 19 1.855 -4.216 -3.106 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.316 -3.318 -2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.244 -3.563 -3.993 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.020 -2.442 -4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.169 -4.081 -5.313 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.626 -5.375 -2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.482 -6.097 -3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.073 -5.624 -2.060 1.00 0.00 H new ATOM 292 N LYS A 20 1.230 -4.417 -6.281 1.00 0.00 N ATOM 293 CA LYS A 20 1.530 -5.224 -7.441 1.00 0.00 C ATOM 294 C LYS A 20 3.044 -5.485 -7.522 1.00 0.00 C ATOM 295 O LYS A 20 3.487 -6.601 -7.812 1.00 0.00 O ATOM 296 CB LYS A 20 0.996 -4.593 -8.729 1.00 0.00 C ATOM 297 CG LYS A 20 -0.513 -4.550 -8.753 1.00 0.00 C ATOM 298 CD LYS A 20 -1.072 -4.211 -10.111 1.00 0.00 C ATOM 299 CE LYS A 20 -2.593 -4.188 -10.080 1.00 0.00 C ATOM 300 NZ LYS A 20 -3.209 -4.027 -11.409 1.00 0.00 N ATOM 0 H LYS A 20 0.829 -3.502 -6.487 1.00 0.00 H new ATOM 0 HA LYS A 20 1.019 -6.181 -7.332 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.389 -3.581 -8.827 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.356 -5.160 -9.587 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.903 -5.517 -8.437 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.861 -3.814 -8.029 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.696 -3.240 -10.432 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.730 -4.943 -10.843 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.953 -5.114 -9.632 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.922 -3.373 -9.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.245 -4.020 -11.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.894 -3.130 -11.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.924 -4.817 -12.022 1.00 0.00 H new ATOM 314 N LYS A 21 3.832 -4.455 -7.197 1.00 0.00 N ATOM 315 CA LYS A 21 5.284 -4.571 -7.132 1.00 0.00 C ATOM 316 C LYS A 21 5.700 -5.489 -6.001 1.00 0.00 C ATOM 317 O LYS A 21 6.613 -6.269 -6.159 1.00 0.00 O ATOM 318 CB LYS A 21 5.980 -3.197 -6.981 1.00 0.00 C ATOM 319 CG LYS A 21 5.850 -2.291 -8.196 1.00 0.00 C ATOM 320 CD LYS A 21 6.587 -0.964 -8.014 1.00 0.00 C ATOM 321 CE LYS A 21 6.014 -0.128 -6.882 1.00 0.00 C ATOM 322 NZ LYS A 21 6.699 1.182 -6.761 1.00 0.00 N ATOM 0 H LYS A 21 3.479 -3.524 -6.974 1.00 0.00 H new ATOM 0 HA LYS A 21 5.606 -5.000 -8.081 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.562 -2.685 -6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.038 -3.360 -6.776 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.244 -2.805 -9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.795 -2.094 -8.388 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.641 -1.162 -7.817 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.537 -0.395 -8.942 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.950 0.033 -7.052 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.107 -0.675 -5.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.279 1.722 -5.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.710 1.029 -6.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.588 1.715 -7.647 1.00 0.00 H new ATOM 336 N ILE A 22 5.008 -5.409 -4.873 1.00 0.00 N ATOM 337 CA ILE A 22 5.330 -6.258 -3.727 1.00 0.00 C ATOM 338 C ILE A 22 5.014 -7.721 -4.033 1.00 0.00 C ATOM 339 O ILE A 22 5.740 -8.622 -3.628 1.00 0.00 O ATOM 340 CB ILE A 22 4.621 -5.801 -2.427 1.00 0.00 C ATOM 341 CG1 ILE A 22 4.988 -4.350 -2.140 1.00 0.00 C ATOM 342 CG2 ILE A 22 5.045 -6.683 -1.254 1.00 0.00 C ATOM 343 CD1 ILE A 22 4.369 -3.785 -0.901 1.00 0.00 C ATOM 0 H ILE A 22 4.226 -4.772 -4.724 1.00 0.00 H new ATOM 0 HA ILE A 22 6.401 -6.159 -3.551 1.00 0.00 H new ATOM 0 HB ILE A 22 3.542 -5.889 -2.557 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.072 -4.273 -2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.689 -3.738 -2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.539 -6.351 -0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.775 -7.719 -1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.124 -6.610 -1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.685 -2.749 -0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.283 -3.825 -0.986 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.687 -4.368 -0.037 1.00 0.00 H new ATOM 355 N CYS A 23 3.964 -7.946 -4.791 1.00 0.00 N ATOM 356 CA CYS A 23 3.585 -9.286 -5.212 1.00 0.00 C ATOM 357 C CYS A 23 4.743 -9.940 -6.007 1.00 0.00 C ATOM 358 O CYS A 23 5.009 -11.129 -5.877 1.00 0.00 O ATOM 359 CB CYS A 23 2.300 -9.215 -6.057 1.00 0.00 C ATOM 360 SG CYS A 23 1.655 -10.810 -6.616 1.00 0.00 S ATOM 0 H CYS A 23 3.347 -7.210 -5.135 1.00 0.00 H new ATOM 0 HA CYS A 23 3.389 -9.904 -4.336 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.528 -8.714 -5.473 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.493 -8.593 -6.931 1.00 0.00 H new ATOM 0 HG CYS A 23 0.574 -10.621 -7.313 1.00 0.00 H new ATOM 366 N ARG A 24 5.448 -9.128 -6.778 1.00 0.00 N ATOM 367 CA ARG A 24 6.577 -9.582 -7.585 1.00 0.00 C ATOM 368 C ARG A 24 7.946 -9.279 -6.929 1.00 0.00 C ATOM 369 O ARG A 24 9.001 -9.489 -7.533 1.00 0.00 O ATOM 370 CB ARG A 24 6.501 -9.020 -9.000 1.00 0.00 C ATOM 371 CG ARG A 24 6.468 -7.522 -9.107 1.00 0.00 C ATOM 372 CD ARG A 24 6.479 -7.121 -10.551 1.00 0.00 C ATOM 373 NE ARG A 24 6.451 -5.665 -10.731 1.00 0.00 N ATOM 374 CZ ARG A 24 7.322 -4.960 -11.471 1.00 0.00 C ATOM 375 NH1 ARG A 24 8.369 -5.561 -12.036 1.00 0.00 N ATOM 376 NH2 ARG A 24 7.139 -3.657 -11.641 1.00 0.00 N ATOM 0 H ARG A 24 5.255 -8.130 -6.864 1.00 0.00 H new ATOM 0 HA ARG A 24 6.501 -10.668 -7.645 1.00 0.00 H new ATOM 0 HB2 ARG A 24 7.359 -9.387 -9.563 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.609 -9.420 -9.482 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.576 -7.132 -8.618 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.327 -7.092 -8.593 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.370 -7.526 -11.030 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.618 -7.562 -11.054 1.00 0.00 H new ATOM 0 HE ARG A 24 5.711 -5.147 -10.256 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.513 -6.563 -11.908 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.027 -5.019 -12.597 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.339 -3.194 -11.210 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.799 -3.118 -12.202 1.00 0.00 H new ATOM 390 N ALA A 25 7.918 -8.813 -5.693 1.00 0.00 N ATOM 391 CA ALA A 25 9.117 -8.336 -4.971 1.00 0.00 C ATOM 392 C ALA A 25 10.050 -9.443 -4.445 1.00 0.00 C ATOM 393 O ALA A 25 10.863 -9.215 -3.563 1.00 0.00 O ATOM 394 CB ALA A 25 8.725 -7.397 -3.868 1.00 0.00 C ATOM 0 H ALA A 25 7.061 -8.748 -5.144 1.00 0.00 H new ATOM 0 HA ALA A 25 9.709 -7.808 -5.718 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.619 -7.055 -3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.200 -6.540 -4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.071 -7.913 -3.166 1.00 0.00 H new ATOM 400 N GLU A 26 9.972 -10.608 -4.996 1.00 0.00 N ATOM 401 CA GLU A 26 10.902 -11.658 -4.630 1.00 0.00 C ATOM 402 C GLU A 26 12.020 -11.686 -5.679 1.00 0.00 C ATOM 403 O GLU A 26 12.529 -12.740 -6.043 1.00 0.00 O ATOM 404 CB GLU A 26 10.190 -13.006 -4.566 1.00 0.00 C ATOM 405 CG GLU A 26 9.041 -13.059 -3.580 1.00 0.00 C ATOM 406 CD GLU A 26 8.483 -14.443 -3.446 1.00 0.00 C ATOM 407 OE1 GLU A 26 7.588 -14.836 -4.237 1.00 0.00 O ATOM 408 OE2 GLU A 26 8.942 -15.186 -2.561 1.00 0.00 O ATOM 0 H GLU A 26 9.282 -10.870 -5.700 1.00 0.00 H new ATOM 0 HA GLU A 26 11.320 -11.462 -3.643 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.813 -13.252 -5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.916 -13.775 -4.301 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.382 -12.709 -2.606 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.253 -12.380 -3.904 1.00 0.00 H new ATOM 415 N GLY A 27 12.440 -10.493 -6.094 1.00 0.00 N ATOM 416 CA GLY A 27 13.389 -10.339 -7.182 1.00 0.00 C ATOM 417 C GLY A 27 14.807 -10.700 -6.833 1.00 0.00 C ATOM 418 O GLY A 27 15.614 -11.015 -7.712 1.00 0.00 O ATOM 0 H GLY A 27 12.130 -9.612 -5.684 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.066 -10.958 -8.019 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.365 -9.304 -7.524 1.00 0.00 H new ATOM 422 N ALA A 28 15.123 -10.649 -5.577 1.00 0.00 N ATOM 423 CA ALA A 28 16.464 -10.950 -5.139 1.00 0.00 C ATOM 424 C ALA A 28 16.412 -11.771 -3.895 1.00 0.00 C ATOM 425 O ALA A 28 16.828 -12.930 -3.862 1.00 0.00 O ATOM 426 CB ALA A 28 17.242 -9.658 -4.871 1.00 0.00 C ATOM 0 H ALA A 28 14.474 -10.402 -4.830 1.00 0.00 H new ATOM 0 HA ALA A 28 16.973 -11.509 -5.925 1.00 0.00 H new ATOM 0 HB1 ALA A 28 18.252 -9.903 -4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.292 -9.067 -5.786 1.00 0.00 H new ATOM 0 HB3 ALA A 28 16.736 -9.083 -4.095 1.00 0.00 H new ATOM 432 N THR A 29 15.854 -11.182 -2.904 1.00 0.00 N ATOM 433 CA THR A 29 15.765 -11.739 -1.596 1.00 0.00 C ATOM 434 C THR A 29 14.435 -11.337 -1.018 1.00 0.00 C ATOM 435 O THR A 29 13.670 -10.629 -1.679 1.00 0.00 O ATOM 436 CB THR A 29 16.888 -11.155 -0.708 1.00 0.00 C ATOM 437 OG1 THR A 29 16.949 -9.734 -0.919 1.00 0.00 O ATOM 438 CG2 THR A 29 18.245 -11.782 -1.004 1.00 0.00 C ATOM 0 H THR A 29 15.427 -10.259 -2.980 1.00 0.00 H new ATOM 0 HA THR A 29 15.865 -12.824 -1.638 1.00 0.00 H new ATOM 0 HB THR A 29 16.653 -11.381 0.332 1.00 0.00 H new ATOM 0 HG1 THR A 29 17.752 -9.373 -0.488 1.00 0.00 H new ATOM 0 HG21 THR A 29 19.000 -11.339 -0.355 1.00 0.00 H new ATOM 0 HG22 THR A 29 18.197 -12.856 -0.824 1.00 0.00 H new ATOM 0 HG23 THR A 29 18.510 -11.601 -2.046 1.00 0.00 H new ATOM 446 N GLU A 30 14.167 -11.737 0.199 1.00 0.00 N ATOM 447 CA GLU A 30 12.949 -11.353 0.874 1.00 0.00 C ATOM 448 C GLU A 30 13.071 -9.900 1.346 1.00 0.00 C ATOM 449 O GLU A 30 12.078 -9.239 1.672 1.00 0.00 O ATOM 450 CB GLU A 30 12.683 -12.315 2.017 1.00 0.00 C ATOM 451 CG GLU A 30 11.376 -12.109 2.742 1.00 0.00 C ATOM 452 CD GLU A 30 11.094 -13.244 3.662 1.00 0.00 C ATOM 453 OE1 GLU A 30 11.694 -13.322 4.740 1.00 0.00 O ATOM 454 OE2 GLU A 30 10.318 -14.124 3.298 1.00 0.00 O ATOM 0 H GLU A 30 14.783 -12.335 0.750 1.00 0.00 H new ATOM 0 HA GLU A 30 12.097 -11.408 0.197 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.707 -13.332 1.627 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.496 -12.231 2.738 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.412 -11.178 3.307 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.566 -12.012 2.019 1.00 0.00 H new ATOM 461 N GLU A 31 14.309 -9.401 1.331 1.00 0.00 N ATOM 462 CA GLU A 31 14.603 -8.009 1.622 1.00 0.00 C ATOM 463 C GLU A 31 13.902 -7.156 0.578 1.00 0.00 C ATOM 464 O GLU A 31 13.352 -6.127 0.883 1.00 0.00 O ATOM 465 CB GLU A 31 16.108 -7.750 1.482 1.00 0.00 C ATOM 466 CG GLU A 31 17.001 -8.611 2.347 1.00 0.00 C ATOM 467 CD GLU A 31 16.778 -8.379 3.811 1.00 0.00 C ATOM 468 OE1 GLU A 31 17.214 -7.334 4.328 1.00 0.00 O ATOM 469 OE2 GLU A 31 16.148 -9.237 4.480 1.00 0.00 O ATOM 0 H GLU A 31 15.135 -9.959 1.115 1.00 0.00 H new ATOM 0 HA GLU A 31 14.275 -7.773 2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 31 16.389 -7.899 0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 31 16.302 -6.704 1.718 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.821 -9.661 2.117 1.00 0.00 H new ATOM 0 HG3 GLU A 31 18.044 -8.406 2.105 1.00 0.00 H new ATOM 476 N ASP A 32 13.900 -7.659 -0.652 1.00 0.00 N ATOM 477 CA ASP A 32 13.347 -6.964 -1.831 1.00 0.00 C ATOM 478 C ASP A 32 11.832 -6.771 -1.670 1.00 0.00 C ATOM 479 O ASP A 32 11.258 -5.795 -2.156 1.00 0.00 O ATOM 480 CB ASP A 32 13.703 -7.784 -3.110 1.00 0.00 C ATOM 481 CG ASP A 32 13.446 -7.088 -4.441 1.00 0.00 C ATOM 482 OD1 ASP A 32 14.305 -6.297 -4.875 1.00 0.00 O ATOM 483 OD2 ASP A 32 12.428 -7.354 -5.114 1.00 0.00 O ATOM 0 H ASP A 32 14.287 -8.577 -0.872 1.00 0.00 H new ATOM 0 HA ASP A 32 13.785 -5.970 -1.927 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.758 -8.055 -3.062 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.134 -8.713 -3.092 1.00 0.00 H new ATOM 488 N ASP A 33 11.226 -7.674 -0.926 1.00 0.00 N ATOM 489 CA ASP A 33 9.787 -7.651 -0.620 1.00 0.00 C ATOM 490 C ASP A 33 9.531 -6.719 0.545 1.00 0.00 C ATOM 491 O ASP A 33 8.840 -5.696 0.420 1.00 0.00 O ATOM 492 CB ASP A 33 9.313 -9.101 -0.284 1.00 0.00 C ATOM 493 CG ASP A 33 7.827 -9.271 0.098 1.00 0.00 C ATOM 494 OD1 ASP A 33 7.421 -8.866 1.214 1.00 0.00 O ATOM 495 OD2 ASP A 33 7.070 -9.906 -0.678 1.00 0.00 O ATOM 0 H ASP A 33 11.717 -8.462 -0.504 1.00 0.00 H new ATOM 0 HA ASP A 33 9.227 -7.287 -1.481 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.518 -9.735 -1.147 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.921 -9.476 0.539 1.00 0.00 H new ATOM 500 N ASN A 34 10.181 -7.017 1.639 1.00 0.00 N ATOM 501 CA ASN A 34 9.973 -6.329 2.885 1.00 0.00 C ATOM 502 C ASN A 34 10.421 -4.869 2.843 1.00 0.00 C ATOM 503 O ASN A 34 9.791 -4.020 3.464 1.00 0.00 O ATOM 504 CB ASN A 34 10.663 -7.093 4.006 1.00 0.00 C ATOM 505 CG ASN A 34 10.487 -6.485 5.379 1.00 0.00 C ATOM 506 OD1 ASN A 34 9.456 -5.882 5.699 1.00 0.00 O ATOM 507 ND2 ASN A 34 11.483 -6.632 6.193 1.00 0.00 N ATOM 0 H ASN A 34 10.881 -7.757 1.690 1.00 0.00 H new ATOM 0 HA ASN A 34 8.900 -6.299 3.074 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.280 -8.113 4.022 1.00 0.00 H new ATOM 0 HB3 ASN A 34 11.728 -7.156 3.784 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.433 -6.244 7.135 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.317 -7.136 5.892 1.00 0.00 H new ATOM 514 N LYS A 35 11.469 -4.548 2.074 1.00 0.00 N ATOM 515 CA LYS A 35 11.931 -3.166 2.034 1.00 0.00 C ATOM 516 C LYS A 35 10.885 -2.275 1.388 1.00 0.00 C ATOM 517 O LYS A 35 10.752 -1.101 1.757 1.00 0.00 O ATOM 518 CB LYS A 35 13.291 -2.997 1.345 1.00 0.00 C ATOM 519 CG LYS A 35 13.294 -3.216 -0.156 1.00 0.00 C ATOM 520 CD LYS A 35 14.657 -2.927 -0.739 1.00 0.00 C ATOM 521 CE LYS A 35 15.704 -3.942 -0.303 1.00 0.00 C ATOM 522 NZ LYS A 35 17.020 -3.640 -0.892 1.00 0.00 N ATOM 0 H LYS A 35 11.993 -5.203 1.493 1.00 0.00 H new ATOM 0 HA LYS A 35 12.077 -2.859 3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.660 -1.992 1.549 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.997 -3.693 1.798 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.009 -4.244 -0.378 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.550 -2.571 -0.623 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.590 -2.923 -1.827 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.974 -1.929 -0.436 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.782 -3.944 0.784 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.390 -4.942 -0.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.712 -4.349 -0.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.949 -3.663 -1.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.328 -2.695 -0.586 1.00 0.00 H new ATOM 536 N LEU A 36 10.108 -2.842 0.453 1.00 0.00 N ATOM 537 CA LEU A 36 9.042 -2.089 -0.160 1.00 0.00 C ATOM 538 C LEU A 36 7.981 -1.853 0.863 1.00 0.00 C ATOM 539 O LEU A 36 7.575 -0.719 1.106 1.00 0.00 O ATOM 540 CB LEU A 36 8.434 -2.814 -1.361 1.00 0.00 C ATOM 541 CG LEU A 36 9.313 -2.985 -2.590 1.00 0.00 C ATOM 542 CD1 LEU A 36 8.519 -3.645 -3.702 1.00 0.00 C ATOM 543 CD2 LEU A 36 9.852 -1.644 -3.051 1.00 0.00 C ATOM 0 H LEU A 36 10.206 -3.801 0.120 1.00 0.00 H new ATOM 0 HA LEU A 36 9.456 -1.149 -0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.117 -3.804 -1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.535 -2.275 -1.661 1.00 0.00 H new ATOM 0 HG LEU A 36 10.159 -3.622 -2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.153 -3.765 -4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.171 -4.623 -3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.662 -3.022 -3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.479 -1.787 -3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.021 -0.984 -3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.444 -1.196 -2.253 1.00 0.00 H new ATOM 555 N VAL A 37 7.587 -2.928 1.514 1.00 0.00 N ATOM 556 CA VAL A 37 6.548 -2.887 2.514 1.00 0.00 C ATOM 557 C VAL A 37 6.879 -1.857 3.602 1.00 0.00 C ATOM 558 O VAL A 37 6.039 -1.067 3.983 1.00 0.00 O ATOM 559 CB VAL A 37 6.322 -4.270 3.176 1.00 0.00 C ATOM 560 CG1 VAL A 37 5.119 -4.199 4.081 1.00 0.00 C ATOM 561 CG2 VAL A 37 6.112 -5.355 2.136 1.00 0.00 C ATOM 0 H VAL A 37 7.982 -3.856 1.362 1.00 0.00 H new ATOM 0 HA VAL A 37 5.631 -2.598 2.000 1.00 0.00 H new ATOM 0 HB VAL A 37 7.212 -4.523 3.752 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.957 -5.170 4.548 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.288 -3.449 4.853 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.240 -3.927 3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.957 -6.312 2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.238 -5.115 1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.991 -5.419 1.494 1.00 0.00 H new ATOM 571 N ARG A 38 8.127 -1.834 4.038 1.00 0.00 N ATOM 572 CA ARG A 38 8.544 -0.922 5.093 1.00 0.00 C ATOM 573 C ARG A 38 8.463 0.547 4.694 1.00 0.00 C ATOM 574 O ARG A 38 8.173 1.397 5.549 1.00 0.00 O ATOM 575 CB ARG A 38 9.933 -1.230 5.609 1.00 0.00 C ATOM 576 CG ARG A 38 10.069 -2.579 6.254 1.00 0.00 C ATOM 577 CD ARG A 38 11.435 -2.753 6.877 1.00 0.00 C ATOM 578 NE ARG A 38 12.534 -2.568 5.914 1.00 0.00 N ATOM 579 CZ ARG A 38 13.612 -3.365 5.818 1.00 0.00 C ATOM 580 NH1 ARG A 38 13.790 -4.366 6.682 1.00 0.00 N ATOM 581 NH2 ARG A 38 14.530 -3.130 4.892 1.00 0.00 N ATOM 0 H ARG A 38 8.869 -2.435 3.679 1.00 0.00 H new ATOM 0 HA ARG A 38 7.825 -1.088 5.896 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.638 -1.164 4.781 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.217 -0.465 6.331 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.300 -2.699 7.018 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.904 -3.359 5.510 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.550 -2.039 7.693 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.505 -3.749 7.313 1.00 0.00 H new ATOM 0 HE ARG A 38 12.472 -1.777 5.273 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.106 -4.530 7.421 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.610 -4.967 6.604 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.419 -2.344 4.252 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.348 -3.735 4.820 1.00 0.00 H new ATOM 595 N GLU A 39 8.729 0.880 3.431 1.00 0.00 N ATOM 596 CA GLU A 39 8.632 2.280 3.050 1.00 0.00 C ATOM 597 C GLU A 39 7.171 2.661 2.910 1.00 0.00 C ATOM 598 O GLU A 39 6.733 3.694 3.427 1.00 0.00 O ATOM 599 CB GLU A 39 9.425 2.659 1.767 1.00 0.00 C ATOM 600 CG GLU A 39 8.887 2.094 0.457 1.00 0.00 C ATOM 601 CD GLU A 39 9.489 2.772 -0.744 1.00 0.00 C ATOM 602 OE1 GLU A 39 8.989 3.850 -1.144 1.00 0.00 O ATOM 603 OE2 GLU A 39 10.481 2.257 -1.309 1.00 0.00 O ATOM 0 H GLU A 39 9.000 0.233 2.690 1.00 0.00 H new ATOM 0 HA GLU A 39 9.104 2.851 3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.451 3.746 1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.455 2.324 1.888 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.096 1.025 0.411 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.803 2.209 0.432 1.00 0.00 H new ATOM 610 N PHE A 40 6.402 1.779 2.283 1.00 0.00 N ATOM 611 CA PHE A 40 5.006 2.025 2.045 1.00 0.00 C ATOM 612 C PHE A 40 4.225 2.094 3.345 1.00 0.00 C ATOM 613 O PHE A 40 3.419 2.981 3.516 1.00 0.00 O ATOM 614 CB PHE A 40 4.403 1.020 1.058 1.00 0.00 C ATOM 615 CG PHE A 40 4.934 1.137 -0.368 1.00 0.00 C ATOM 616 CD1 PHE A 40 4.696 2.273 -1.131 1.00 0.00 C ATOM 617 CD2 PHE A 40 5.655 0.104 -0.943 1.00 0.00 C ATOM 618 CE1 PHE A 40 5.171 2.369 -2.432 1.00 0.00 C ATOM 619 CE2 PHE A 40 6.128 0.191 -2.237 1.00 0.00 C ATOM 620 CZ PHE A 40 5.891 1.319 -2.983 1.00 0.00 C ATOM 0 H PHE A 40 6.736 0.882 1.931 1.00 0.00 H new ATOM 0 HA PHE A 40 4.927 3.004 1.572 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.596 0.011 1.423 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.321 1.151 1.041 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.134 3.092 -0.707 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.851 -0.788 -0.367 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.980 3.259 -3.014 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.686 -0.630 -2.663 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.263 1.389 -3.994 1.00 0.00 H new ATOM 630 N GLU A 41 4.538 1.216 4.284 1.00 0.00 N ATOM 631 CA GLU A 41 3.884 1.209 5.580 1.00 0.00 C ATOM 632 C GLU A 41 4.168 2.426 6.449 1.00 0.00 C ATOM 633 O GLU A 41 3.461 2.698 7.422 1.00 0.00 O ATOM 634 CB GLU A 41 4.034 -0.123 6.298 1.00 0.00 C ATOM 635 CG GLU A 41 3.080 -1.120 5.684 1.00 0.00 C ATOM 636 CD GLU A 41 1.713 -0.519 5.676 1.00 0.00 C ATOM 637 OE1 GLU A 41 1.112 -0.478 6.749 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.232 -0.077 4.624 1.00 0.00 O ATOM 0 H GLU A 41 5.248 0.493 4.170 1.00 0.00 H new ATOM 0 HA GLU A 41 2.821 1.312 5.363 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.060 -0.482 6.215 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.823 -0.004 7.361 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.391 -1.368 4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.083 -2.049 6.254 1.00 0.00 H new ATOM 645 N ARG A 42 5.192 3.170 6.109 1.00 0.00 N ATOM 646 CA ARG A 42 5.463 4.422 6.780 1.00 0.00 C ATOM 647 C ARG A 42 4.662 5.500 6.111 1.00 0.00 C ATOM 648 O ARG A 42 4.152 6.406 6.760 1.00 0.00 O ATOM 649 CB ARG A 42 6.944 4.747 6.717 1.00 0.00 C ATOM 650 CG ARG A 42 7.340 6.071 7.367 1.00 0.00 C ATOM 651 CD ARG A 42 6.873 6.162 8.816 1.00 0.00 C ATOM 652 NE ARG A 42 7.145 7.481 9.413 1.00 0.00 N ATOM 653 CZ ARG A 42 6.229 8.266 10.026 1.00 0.00 C ATOM 654 NH1 ARG A 42 4.956 7.880 10.102 1.00 0.00 N ATOM 655 NH2 ARG A 42 6.595 9.425 10.571 1.00 0.00 N ATOM 0 H ARG A 42 5.854 2.931 5.370 1.00 0.00 H new ATOM 0 HA ARG A 42 5.182 4.348 7.831 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.499 3.942 7.199 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.253 4.765 5.672 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.423 6.183 7.328 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.913 6.896 6.797 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.803 5.959 8.863 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.370 5.391 9.404 1.00 0.00 H new ATOM 0 HE ARG A 42 8.102 7.831 9.360 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.668 6.989 9.697 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.269 8.475 10.565 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.569 9.724 10.527 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.901 10.013 11.032 1.00 0.00 H new ATOM 669 N LEU A 43 4.573 5.388 4.820 1.00 0.00 N ATOM 670 CA LEU A 43 3.789 6.294 3.994 1.00 0.00 C ATOM 671 C LEU A 43 2.305 6.216 4.366 1.00 0.00 C ATOM 672 O LEU A 43 1.642 7.243 4.554 1.00 0.00 O ATOM 673 CB LEU A 43 3.974 5.953 2.512 1.00 0.00 C ATOM 674 CG LEU A 43 5.381 6.088 1.954 1.00 0.00 C ATOM 675 CD1 LEU A 43 5.399 5.659 0.498 1.00 0.00 C ATOM 676 CD2 LEU A 43 5.872 7.523 2.099 1.00 0.00 C ATOM 0 H LEU A 43 5.046 4.656 4.290 1.00 0.00 H new ATOM 0 HA LEU A 43 4.140 7.311 4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.642 4.927 2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.313 6.595 1.929 1.00 0.00 H new ATOM 0 HG LEU A 43 6.053 5.441 2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.410 5.758 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.079 4.620 0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.721 6.291 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.881 7.605 1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.207 8.192 1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.880 7.800 3.153 1.00 0.00 H new ATOM 688 N THR A 44 1.817 5.008 4.496 1.00 0.00 N ATOM 689 CA THR A 44 0.438 4.740 4.823 1.00 0.00 C ATOM 690 C THR A 44 0.176 4.990 6.291 1.00 0.00 C ATOM 691 O THR A 44 -0.896 5.488 6.667 1.00 0.00 O ATOM 692 CB THR A 44 0.136 3.264 4.516 1.00 0.00 C ATOM 693 OG1 THR A 44 1.034 2.454 5.264 1.00 0.00 O ATOM 694 CG2 THR A 44 0.362 2.991 3.060 1.00 0.00 C ATOM 0 H THR A 44 2.379 4.165 4.375 1.00 0.00 H new ATOM 0 HA THR A 44 -0.198 5.400 4.233 1.00 0.00 H new ATOM 0 HB THR A 44 -0.899 3.044 4.776 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.105 1.571 4.845 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.146 1.944 2.848 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.296 3.624 2.465 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.400 3.206 2.806 1.00 0.00 H new ATOM 702 N GLU A 45 1.187 4.632 7.115 1.00 0.00 N ATOM 703 CA GLU A 45 1.104 4.639 8.572 1.00 0.00 C ATOM 704 C GLU A 45 0.025 3.656 8.963 1.00 0.00 C ATOM 705 O GLU A 45 -0.635 3.791 10.010 1.00 0.00 O ATOM 706 CB GLU A 45 0.787 6.025 9.130 1.00 0.00 C ATOM 707 CG GLU A 45 1.769 7.093 8.755 1.00 0.00 C ATOM 708 CD GLU A 45 1.524 8.374 9.495 1.00 0.00 C ATOM 709 OE1 GLU A 45 1.872 8.448 10.689 1.00 0.00 O ATOM 710 OE2 GLU A 45 0.976 9.323 8.919 1.00 0.00 O ATOM 0 H GLU A 45 2.096 4.326 6.767 1.00 0.00 H new ATOM 0 HA GLU A 45 2.070 4.357 8.990 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.203 6.323 8.784 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.738 5.961 10.217 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.780 6.743 8.963 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.710 7.278 7.682 1.00 0.00 H new ATOM 717 N HIS A 46 -0.121 2.643 8.125 1.00 0.00 N ATOM 718 CA HIS A 46 -1.160 1.700 8.262 1.00 0.00 C ATOM 719 C HIS A 46 -0.744 0.588 9.260 1.00 0.00 C ATOM 720 O HIS A 46 0.404 0.169 9.314 1.00 0.00 O ATOM 721 CB HIS A 46 -1.605 1.159 6.860 1.00 0.00 C ATOM 722 CG HIS A 46 -2.877 0.377 6.898 1.00 0.00 C ATOM 723 ND1 HIS A 46 -2.952 -0.912 7.327 1.00 0.00 N ATOM 724 CD2 HIS A 46 -4.151 0.786 6.731 1.00 0.00 C ATOM 725 CE1 HIS A 46 -4.239 -1.232 7.456 1.00 0.00 C ATOM 726 NE2 HIS A 46 -5.012 -0.241 7.092 1.00 0.00 N ATOM 0 H HIS A 46 0.496 2.472 7.331 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.041 2.180 8.687 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.725 2.000 6.177 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.813 0.529 6.455 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.454 1.759 6.373 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.598 -2.186 7.814 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.032 -0.226 7.077 1.00 0.00 H new ATOM 734 N PRO A 47 -1.670 0.173 10.108 1.00 0.00 N ATOM 735 CA PRO A 47 -1.436 -0.828 11.145 1.00 0.00 C ATOM 736 C PRO A 47 -1.188 -2.215 10.639 1.00 0.00 C ATOM 737 O PRO A 47 -0.244 -2.875 11.037 1.00 0.00 O ATOM 738 CB PRO A 47 -2.742 -0.823 11.918 1.00 0.00 C ATOM 739 CG PRO A 47 -3.745 -0.191 11.054 1.00 0.00 C ATOM 740 CD PRO A 47 -3.012 0.715 10.177 1.00 0.00 C ATOM 0 HA PRO A 47 -0.538 -0.579 11.711 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.041 -1.838 12.178 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.636 -0.273 12.853 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.288 -0.939 10.476 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.483 0.351 11.646 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.469 0.762 9.189 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.007 1.730 10.575 1.00 0.00 H new ATOM 748 N ASP A 48 -1.997 -2.624 9.729 1.00 0.00 N ATOM 749 CA ASP A 48 -2.022 -3.988 9.314 1.00 0.00 C ATOM 750 C ASP A 48 -1.494 -4.038 7.929 1.00 0.00 C ATOM 751 O ASP A 48 -1.637 -4.994 7.253 1.00 0.00 O ATOM 752 CB ASP A 48 -3.474 -4.487 9.328 1.00 0.00 C ATOM 753 CG ASP A 48 -3.642 -6.001 9.223 1.00 0.00 C ATOM 754 OD1 ASP A 48 -3.414 -6.708 10.235 1.00 0.00 O ATOM 755 OD2 ASP A 48 -4.092 -6.494 8.176 1.00 0.00 O ATOM 0 H ASP A 48 -2.665 -2.023 9.247 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.424 -4.613 9.977 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.949 -4.148 10.248 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.010 -4.020 8.502 1.00 0.00 H new ATOM 760 N GLY A 49 -0.855 -2.962 7.539 1.00 0.00 N ATOM 761 CA GLY A 49 -0.403 -2.798 6.146 1.00 0.00 C ATOM 762 C GLY A 49 0.453 -3.882 5.644 1.00 0.00 C ATOM 763 O GLY A 49 0.231 -4.394 4.549 1.00 0.00 O ATOM 0 H GLY A 49 -0.628 -2.179 8.152 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.279 -2.718 5.502 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.141 -1.857 6.064 1.00 0.00 H new ATOM 767 N SER A 50 1.408 -4.251 6.417 1.00 0.00 N ATOM 768 CA SER A 50 2.253 -5.356 6.021 1.00 0.00 C ATOM 769 C SER A 50 1.403 -6.649 5.975 1.00 0.00 C ATOM 770 O SER A 50 1.413 -7.388 4.982 1.00 0.00 O ATOM 771 CB SER A 50 3.417 -5.506 6.979 1.00 0.00 C ATOM 772 OG SER A 50 4.030 -4.238 7.230 1.00 0.00 O ATOM 0 H SER A 50 1.635 -3.824 7.315 1.00 0.00 H new ATOM 0 HA SER A 50 2.665 -5.164 5.031 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.070 -5.940 7.917 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.152 -6.195 6.562 1.00 0.00 H new ATOM 0 HG SER A 50 4.778 -4.354 7.852 1.00 0.00 H new ATOM 778 N ASP A 51 0.594 -6.839 7.010 1.00 0.00 N ATOM 779 CA ASP A 51 -0.277 -8.011 7.146 1.00 0.00 C ATOM 780 C ASP A 51 -1.307 -8.093 6.021 1.00 0.00 C ATOM 781 O ASP A 51 -1.677 -9.163 5.634 1.00 0.00 O ATOM 782 CB ASP A 51 -0.990 -8.062 8.512 1.00 0.00 C ATOM 783 CG ASP A 51 -0.094 -8.394 9.690 1.00 0.00 C ATOM 784 OD1 ASP A 51 0.161 -9.596 9.933 1.00 0.00 O ATOM 785 OD2 ASP A 51 0.342 -7.460 10.430 1.00 0.00 O ATOM 0 H ASP A 51 0.520 -6.182 7.787 1.00 0.00 H new ATOM 0 HA ASP A 51 0.382 -8.876 7.077 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.463 -7.097 8.695 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.788 -8.803 8.461 1.00 0.00 H new ATOM 790 N LEU A 52 -1.737 -6.948 5.498 1.00 0.00 N ATOM 791 CA LEU A 52 -2.686 -6.857 4.357 1.00 0.00 C ATOM 792 C LEU A 52 -2.147 -7.619 3.162 1.00 0.00 C ATOM 793 O LEU A 52 -2.890 -8.264 2.427 1.00 0.00 O ATOM 794 CB LEU A 52 -2.872 -5.377 3.905 1.00 0.00 C ATOM 795 CG LEU A 52 -3.442 -4.366 4.911 1.00 0.00 C ATOM 796 CD1 LEU A 52 -3.497 -3.002 4.261 1.00 0.00 C ATOM 797 CD2 LEU A 52 -4.831 -4.770 5.352 1.00 0.00 C ATOM 0 H LEU A 52 -1.441 -6.037 5.849 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.634 -7.275 4.694 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.900 -5.006 3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.524 -5.377 3.031 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.796 -4.340 5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.901 -2.278 4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.493 -2.699 3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.137 -3.044 3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.214 -4.039 6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.490 -4.812 4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.792 -5.751 5.825 1.00 0.00 H new ATOM 809 N ILE A 53 -0.847 -7.570 3.018 1.00 0.00 N ATOM 810 CA ILE A 53 -0.166 -8.110 1.863 1.00 0.00 C ATOM 811 C ILE A 53 0.074 -9.593 2.054 1.00 0.00 C ATOM 812 O ILE A 53 0.101 -10.373 1.106 1.00 0.00 O ATOM 813 CB ILE A 53 1.199 -7.396 1.708 1.00 0.00 C ATOM 814 CG1 ILE A 53 0.997 -5.878 1.677 1.00 0.00 C ATOM 815 CG2 ILE A 53 1.921 -7.865 0.447 1.00 0.00 C ATOM 816 CD1 ILE A 53 2.274 -5.091 1.824 1.00 0.00 C ATOM 0 H ILE A 53 -0.222 -7.150 3.706 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.778 -7.954 0.975 1.00 0.00 H new ATOM 0 HB ILE A 53 1.821 -7.652 2.566 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.518 -5.604 0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.313 -5.595 2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.877 -7.348 0.362 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.093 -8.940 0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.309 -7.642 -0.427 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.050 -4.025 1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.744 -5.335 2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.953 -5.343 1.009 1.00 0.00 H new ATOM 828 N TYR A 54 0.258 -9.969 3.279 1.00 0.00 N ATOM 829 CA TYR A 54 0.589 -11.322 3.600 1.00 0.00 C ATOM 830 C TYR A 54 -0.640 -12.171 3.936 1.00 0.00 C ATOM 831 O TYR A 54 -0.714 -13.345 3.566 1.00 0.00 O ATOM 832 CB TYR A 54 1.592 -11.352 4.744 1.00 0.00 C ATOM 833 CG TYR A 54 2.898 -10.638 4.456 1.00 0.00 C ATOM 834 CD1 TYR A 54 3.695 -10.992 3.374 1.00 0.00 C ATOM 835 CD2 TYR A 54 3.316 -9.595 5.257 1.00 0.00 C ATOM 836 CE1 TYR A 54 4.874 -10.319 3.108 1.00 0.00 C ATOM 837 CE2 TYR A 54 4.484 -8.916 5.001 1.00 0.00 C ATOM 838 CZ TYR A 54 5.264 -9.276 3.924 1.00 0.00 C ATOM 839 OH TYR A 54 6.449 -8.599 3.676 1.00 0.00 O ATOM 0 H TYR A 54 0.183 -9.348 4.085 1.00 0.00 H new ATOM 0 HA TYR A 54 1.036 -11.766 2.710 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.133 -10.902 5.624 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.808 -12.391 4.993 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.389 -11.804 2.731 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.712 -9.305 6.104 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.486 -10.608 2.266 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.789 -8.103 5.643 1.00 0.00 H new ATOM 0 HH TYR A 54 6.877 -8.970 2.876 1.00 0.00 H new ATOM 849 N TYR A 55 -1.587 -11.585 4.622 1.00 0.00 N ATOM 850 CA TYR A 55 -2.748 -12.283 5.116 1.00 0.00 C ATOM 851 C TYR A 55 -4.033 -11.621 4.623 1.00 0.00 C ATOM 852 O TYR A 55 -4.300 -10.448 4.932 1.00 0.00 O ATOM 853 CB TYR A 55 -2.741 -12.306 6.665 1.00 0.00 C ATOM 854 CG TYR A 55 -1.517 -12.970 7.266 1.00 0.00 C ATOM 855 CD1 TYR A 55 -1.494 -14.330 7.510 1.00 0.00 C ATOM 856 CD2 TYR A 55 -0.377 -12.233 7.566 1.00 0.00 C ATOM 857 CE1 TYR A 55 -0.373 -14.943 8.024 1.00 0.00 C ATOM 858 CE2 TYR A 55 0.748 -12.839 8.087 1.00 0.00 C ATOM 859 CZ TYR A 55 0.747 -14.194 8.311 1.00 0.00 C ATOM 860 OH TYR A 55 1.881 -14.812 8.804 1.00 0.00 O ATOM 0 H TYR A 55 -1.574 -10.593 4.858 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.712 -13.305 4.737 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.804 -11.282 7.034 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.633 -12.826 7.015 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.371 -14.923 7.294 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.372 -11.168 7.388 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.372 -16.008 8.202 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.624 -12.251 8.317 1.00 0.00 H new ATOM 0 HH TYR A 55 2.581 -14.142 8.952 1.00 0.00 H new ATOM 870 N PRO A 56 -4.812 -12.328 3.807 1.00 0.00 N ATOM 871 CA PRO A 56 -6.124 -11.864 3.369 1.00 0.00 C ATOM 872 C PRO A 56 -7.142 -11.968 4.508 1.00 0.00 C ATOM 873 O PRO A 56 -7.031 -12.857 5.364 1.00 0.00 O ATOM 874 CB PRO A 56 -6.495 -12.841 2.250 1.00 0.00 C ATOM 875 CG PRO A 56 -5.730 -14.078 2.552 1.00 0.00 C ATOM 876 CD PRO A 56 -4.458 -13.630 3.205 1.00 0.00 C ATOM 0 HA PRO A 56 -6.116 -10.822 3.050 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.568 -13.034 2.234 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.228 -12.441 1.272 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.296 -14.735 3.212 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.524 -14.641 1.642 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.123 -14.342 3.959 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.650 -13.530 2.480 1.00 0.00 H new ATOM 884 N ARG A 57 -8.101 -11.049 4.570 1.00 0.00 N ATOM 885 CA ARG A 57 -9.115 -11.161 5.621 1.00 0.00 C ATOM 886 C ARG A 57 -10.332 -11.957 5.132 1.00 0.00 C ATOM 887 O ARG A 57 -10.187 -13.095 4.716 1.00 0.00 O ATOM 888 CB ARG A 57 -9.537 -9.768 6.070 1.00 0.00 C ATOM 889 CG ARG A 57 -8.389 -8.935 6.580 1.00 0.00 C ATOM 890 CD ARG A 57 -8.784 -7.495 6.781 1.00 0.00 C ATOM 891 NE ARG A 57 -9.854 -7.306 7.752 1.00 0.00 N ATOM 892 CZ ARG A 57 -10.568 -6.181 7.857 1.00 0.00 C ATOM 893 NH1 ARG A 57 -10.359 -5.168 7.002 1.00 0.00 N ATOM 894 NH2 ARG A 57 -11.502 -6.074 8.799 1.00 0.00 N ATOM 0 H ARG A 57 -8.200 -10.253 3.940 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.684 -11.699 6.466 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.009 -9.251 5.234 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.288 -9.858 6.854 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.032 -9.348 7.523 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.560 -8.989 5.874 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.909 -6.930 7.104 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.097 -7.077 5.824 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.070 -8.075 8.387 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.654 -5.256 6.270 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.905 -4.310 7.084 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.672 -6.850 9.439 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.048 -5.216 8.881 1.00 0.00 H new ATOM 908 N ASP A 58 -11.506 -11.358 5.126 1.00 0.00 N ATOM 909 CA ASP A 58 -12.688 -12.060 4.634 1.00 0.00 C ATOM 910 C ASP A 58 -13.419 -11.349 3.523 1.00 0.00 C ATOM 911 O ASP A 58 -13.356 -11.742 2.365 1.00 0.00 O ATOM 912 CB ASP A 58 -13.661 -12.466 5.743 1.00 0.00 C ATOM 913 CG ASP A 58 -14.917 -13.132 5.180 1.00 0.00 C ATOM 914 OD1 ASP A 58 -14.829 -14.247 4.624 1.00 0.00 O ATOM 915 OD2 ASP A 58 -16.020 -12.557 5.300 1.00 0.00 O ATOM 0 H ASP A 58 -11.673 -10.405 5.448 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.275 -12.972 4.203 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.164 -13.150 6.430 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.944 -11.585 6.319 1.00 0.00 H new ATOM 920 N ASP A 59 -14.075 -10.257 3.895 1.00 0.00 N ATOM 921 CA ASP A 59 -15.064 -9.593 3.031 1.00 0.00 C ATOM 922 C ASP A 59 -14.500 -8.509 2.173 1.00 0.00 C ATOM 923 O ASP A 59 -15.222 -7.919 1.375 1.00 0.00 O ATOM 924 CB ASP A 59 -16.265 -9.045 3.831 1.00 0.00 C ATOM 925 CG ASP A 59 -15.889 -8.014 4.874 1.00 0.00 C ATOM 926 OD1 ASP A 59 -15.665 -6.833 4.538 1.00 0.00 O ATOM 927 OD2 ASP A 59 -15.833 -8.370 6.059 1.00 0.00 O ATOM 0 H ASP A 59 -13.943 -9.802 4.798 1.00 0.00 H new ATOM 0 HA ASP A 59 -15.406 -10.385 2.364 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.979 -8.602 3.137 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -16.771 -9.876 4.322 1.00 0.00 H new ATOM 932 N ARG A 60 -13.239 -8.236 2.309 1.00 0.00 N ATOM 933 CA ARG A 60 -12.642 -7.226 1.469 1.00 0.00 C ATOM 934 C ARG A 60 -12.306 -7.843 0.129 1.00 0.00 C ATOM 935 O ARG A 60 -12.382 -9.078 -0.045 1.00 0.00 O ATOM 936 CB ARG A 60 -11.338 -6.669 2.062 1.00 0.00 C ATOM 937 CG ARG A 60 -10.164 -7.652 2.037 1.00 0.00 C ATOM 938 CD ARG A 60 -8.863 -6.928 2.267 1.00 0.00 C ATOM 939 NE ARG A 60 -7.700 -7.813 2.236 1.00 0.00 N ATOM 940 CZ ARG A 60 -6.765 -7.867 3.182 1.00 0.00 C ATOM 941 NH1 ARG A 60 -6.824 -7.064 4.237 1.00 0.00 N ATOM 942 NH2 ARG A 60 -5.765 -8.702 3.042 1.00 0.00 N ATOM 0 H ARG A 60 -12.609 -8.683 2.976 1.00 0.00 H new ATOM 0 HA ARG A 60 -13.360 -6.411 1.379 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.057 -5.771 1.512 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.522 -6.366 3.093 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.304 -8.413 2.804 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.135 -8.168 1.077 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.745 -6.156 1.507 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.901 -6.422 3.232 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.598 -8.433 1.433 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.591 -6.398 4.328 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.103 -7.113 4.956 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.711 -9.299 2.217 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.041 -8.755 3.758 1.00 0.00 H new ATOM 956 N GLU A 61 -11.946 -7.024 -0.798 1.00 0.00 N ATOM 957 CA GLU A 61 -11.396 -7.501 -2.013 1.00 0.00 C ATOM 958 C GLU A 61 -9.965 -7.865 -1.684 1.00 0.00 C ATOM 959 O GLU A 61 -9.248 -7.062 -1.095 1.00 0.00 O ATOM 960 CB GLU A 61 -11.394 -6.398 -3.061 1.00 0.00 C ATOM 961 CG GLU A 61 -10.802 -6.808 -4.387 1.00 0.00 C ATOM 962 CD GLU A 61 -11.692 -7.693 -5.195 1.00 0.00 C ATOM 963 OE1 GLU A 61 -11.792 -8.899 -4.903 1.00 0.00 O ATOM 964 OE2 GLU A 61 -12.305 -7.194 -6.155 1.00 0.00 O ATOM 0 H GLU A 61 -12.025 -6.009 -0.733 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.968 -8.341 -2.408 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.419 -6.062 -3.221 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.836 -5.545 -2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.574 -5.913 -4.965 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.858 -7.322 -4.209 1.00 0.00 H new ATOM 971 N ASP A 62 -9.549 -9.035 -1.985 1.00 0.00 N ATOM 972 CA ASP A 62 -8.182 -9.359 -1.703 1.00 0.00 C ATOM 973 C ASP A 62 -7.467 -9.573 -2.980 1.00 0.00 C ATOM 974 O ASP A 62 -7.436 -10.671 -3.536 1.00 0.00 O ATOM 975 CB ASP A 62 -7.989 -10.519 -0.748 1.00 0.00 C ATOM 976 CG ASP A 62 -6.560 -10.550 -0.242 1.00 0.00 C ATOM 977 OD1 ASP A 62 -6.284 -9.913 0.790 1.00 0.00 O ATOM 978 OD2 ASP A 62 -5.701 -11.195 -0.856 1.00 0.00 O ATOM 0 H ASP A 62 -10.106 -9.774 -2.414 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.756 -8.509 -1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.678 -10.426 0.092 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.224 -11.457 -1.251 1.00 0.00 H new ATOM 983 N SER A 63 -7.029 -8.490 -3.494 1.00 0.00 N ATOM 984 CA SER A 63 -6.345 -8.412 -4.717 1.00 0.00 C ATOM 985 C SER A 63 -5.402 -7.233 -4.552 1.00 0.00 C ATOM 986 O SER A 63 -5.450 -6.582 -3.488 1.00 0.00 O ATOM 987 CB SER A 63 -7.388 -8.117 -5.805 1.00 0.00 C ATOM 988 OG SER A 63 -7.973 -6.832 -5.612 1.00 0.00 O ATOM 0 H SER A 63 -7.147 -7.583 -3.043 1.00 0.00 H new ATOM 0 HA SER A 63 -5.803 -9.319 -4.987 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.918 -8.163 -6.787 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.165 -8.881 -5.787 1.00 0.00 H new ATOM 0 HG SER A 63 -8.739 -6.728 -6.214 1.00 0.00 H new ATOM 994 N PRO A 64 -4.555 -6.891 -5.549 1.00 0.00 N ATOM 995 CA PRO A 64 -3.751 -5.676 -5.483 1.00 0.00 C ATOM 996 C PRO A 64 -4.660 -4.429 -5.298 1.00 0.00 C ATOM 997 O PRO A 64 -4.259 -3.435 -4.717 1.00 0.00 O ATOM 998 CB PRO A 64 -3.014 -5.659 -6.845 1.00 0.00 C ATOM 999 CG PRO A 64 -2.984 -7.079 -7.264 1.00 0.00 C ATOM 1000 CD PRO A 64 -4.264 -7.677 -6.769 1.00 0.00 C ATOM 0 HA PRO A 64 -3.060 -5.655 -4.640 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.539 -5.041 -7.573 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.008 -5.252 -6.747 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.905 -7.165 -8.348 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.122 -7.594 -6.840 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.062 -7.587 -7.506 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.153 -8.738 -6.547 1.00 0.00 H new ATOM 1008 N GLU A 65 -5.908 -4.532 -5.746 1.00 0.00 N ATOM 1009 CA GLU A 65 -6.866 -3.446 -5.581 1.00 0.00 C ATOM 1010 C GLU A 65 -7.353 -3.358 -4.144 1.00 0.00 C ATOM 1011 O GLU A 65 -7.325 -2.292 -3.530 1.00 0.00 O ATOM 1012 CB GLU A 65 -8.086 -3.613 -6.479 1.00 0.00 C ATOM 1013 CG GLU A 65 -7.814 -3.671 -7.960 1.00 0.00 C ATOM 1014 CD GLU A 65 -9.090 -3.588 -8.745 1.00 0.00 C ATOM 1015 OE1 GLU A 65 -9.703 -4.639 -9.031 1.00 0.00 O ATOM 1016 OE2 GLU A 65 -9.515 -2.452 -9.092 1.00 0.00 O ATOM 0 H GLU A 65 -6.278 -5.354 -6.224 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.336 -2.535 -5.859 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.603 -4.527 -6.189 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.769 -2.786 -6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.154 -2.852 -8.244 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.294 -4.598 -8.202 1.00 0.00 H new ATOM 1023 N GLY A 66 -7.792 -4.482 -3.617 1.00 0.00 N ATOM 1024 CA GLY A 66 -8.367 -4.518 -2.286 1.00 0.00 C ATOM 1025 C GLY A 66 -7.382 -4.219 -1.186 1.00 0.00 C ATOM 1026 O GLY A 66 -7.750 -3.641 -0.169 1.00 0.00 O ATOM 0 H GLY A 66 -7.762 -5.385 -4.090 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.184 -3.798 -2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.800 -5.504 -2.115 1.00 0.00 H new ATOM 1030 N ILE A 67 -6.133 -4.586 -1.385 1.00 0.00 N ATOM 1031 CA ILE A 67 -5.098 -4.276 -0.410 1.00 0.00 C ATOM 1032 C ILE A 67 -4.915 -2.749 -0.319 1.00 0.00 C ATOM 1033 O ILE A 67 -4.752 -2.185 0.772 1.00 0.00 O ATOM 1034 CB ILE A 67 -3.772 -5.017 -0.740 1.00 0.00 C ATOM 1035 CG1 ILE A 67 -4.007 -6.539 -0.617 1.00 0.00 C ATOM 1036 CG2 ILE A 67 -2.634 -4.562 0.180 1.00 0.00 C ATOM 1037 CD1 ILE A 67 -2.829 -7.401 -1.014 1.00 0.00 C ATOM 0 H ILE A 67 -5.807 -5.096 -2.206 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.409 -4.635 0.571 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.472 -4.775 -1.760 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.275 -6.768 0.415 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.862 -6.811 -1.236 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.721 -5.099 -0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.472 -3.491 0.056 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.898 -4.771 1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.091 -8.452 -0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.571 -7.208 -2.055 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.975 -7.165 -0.379 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.011 -2.085 -1.464 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.005 -0.633 -1.504 1.00 0.00 C ATOM 1051 C VAL A 68 -6.254 -0.102 -0.870 1.00 0.00 C ATOM 1052 O VAL A 68 -6.209 0.854 -0.110 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.919 -0.080 -2.942 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -5.174 1.444 -2.991 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -3.573 -0.374 -3.488 1.00 0.00 C ATOM 0 H VAL A 68 -5.094 -2.532 -2.377 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.119 -0.308 -0.959 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.692 -0.562 -3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.104 1.792 -4.022 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.169 1.659 -2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.429 1.957 -2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.500 0.012 -4.505 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.816 0.101 -2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.412 -1.452 -3.497 1.00 0.00 H new ATOM 1065 N LYS A 69 -7.359 -0.744 -1.172 1.00 0.00 N ATOM 1066 CA LYS A 69 -8.642 -0.320 -0.707 1.00 0.00 C ATOM 1067 C LYS A 69 -8.692 -0.253 0.803 1.00 0.00 C ATOM 1068 O LYS A 69 -9.272 0.660 1.344 1.00 0.00 O ATOM 1069 CB LYS A 69 -9.727 -1.216 -1.215 1.00 0.00 C ATOM 1070 CG LYS A 69 -11.013 -0.469 -1.421 1.00 0.00 C ATOM 1071 CD LYS A 69 -11.199 -0.050 -2.890 1.00 0.00 C ATOM 1072 CE LYS A 69 -10.130 0.951 -3.391 1.00 0.00 C ATOM 1073 NZ LYS A 69 -10.377 1.412 -4.786 1.00 0.00 N ATOM 0 H LYS A 69 -7.383 -1.582 -1.753 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.806 0.683 -1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.414 -1.669 -2.156 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.888 -2.030 -0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.851 -1.094 -1.112 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.025 0.417 -0.786 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.174 -0.940 -3.519 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.186 0.396 -3.009 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.109 1.815 -2.727 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.147 0.483 -3.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.748 2.211 -5.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.188 0.632 -5.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.367 1.714 -4.881 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.065 -1.207 1.464 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.951 -1.197 2.922 1.00 0.00 C ATOM 1089 C GLU A 70 -7.282 0.095 3.383 1.00 0.00 C ATOM 1090 O GLU A 70 -7.856 0.865 4.138 1.00 0.00 O ATOM 1091 CB GLU A 70 -7.127 -2.394 3.377 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.779 -3.730 3.109 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.876 -4.064 4.091 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.906 -3.345 4.145 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -8.735 -5.077 4.819 1.00 0.00 O ATOM 0 H GLU A 70 -7.621 -2.008 1.016 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.947 -1.256 3.360 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.160 -2.367 2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.935 -2.304 4.446 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.191 -3.730 2.100 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.019 -4.511 3.143 1.00 0.00 H new ATOM 1102 N ILE A 71 -6.100 0.343 2.851 1.00 0.00 N ATOM 1103 CA ILE A 71 -5.306 1.519 3.168 1.00 0.00 C ATOM 1104 C ILE A 71 -6.017 2.824 2.784 1.00 0.00 C ATOM 1105 O ILE A 71 -5.960 3.831 3.513 1.00 0.00 O ATOM 1106 CB ILE A 71 -3.940 1.413 2.460 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -3.143 0.331 3.151 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -3.179 2.735 2.480 1.00 0.00 C ATOM 1109 CD1 ILE A 71 -1.921 -0.088 2.426 1.00 0.00 C ATOM 0 H ILE A 71 -5.655 -0.277 2.174 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.162 1.551 4.248 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.099 1.165 1.410 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.859 0.683 4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.783 -0.540 3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.223 2.612 1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.766 3.500 1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.003 3.038 3.512 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.411 -0.867 2.993 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.195 -0.474 1.444 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.257 0.768 2.307 1.00 0.00 H new ATOM 1121 N LYS A 72 -6.676 2.798 1.660 1.00 0.00 N ATOM 1122 CA LYS A 72 -7.374 3.946 1.140 1.00 0.00 C ATOM 1123 C LYS A 72 -8.606 4.240 1.995 1.00 0.00 C ATOM 1124 O LYS A 72 -8.733 5.338 2.534 1.00 0.00 O ATOM 1125 CB LYS A 72 -7.720 3.724 -0.363 1.00 0.00 C ATOM 1126 CG LYS A 72 -8.090 4.992 -1.147 1.00 0.00 C ATOM 1127 CD LYS A 72 -9.529 5.431 -0.979 1.00 0.00 C ATOM 1128 CE LYS A 72 -10.474 4.608 -1.838 1.00 0.00 C ATOM 1129 NZ LYS A 72 -11.870 5.075 -1.736 1.00 0.00 N ATOM 0 H LYS A 72 -6.746 1.969 1.069 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.733 4.826 1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.866 3.253 -0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.551 3.022 -0.427 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.435 5.804 -0.831 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.896 4.820 -2.206 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.817 5.340 0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.621 6.484 -1.244 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.152 4.656 -2.878 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.420 3.562 -1.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.488 4.444 -2.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.166 5.069 -0.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.941 6.042 -2.113 1.00 0.00 H new ATOM 1143 N GLU A 73 -9.461 3.239 2.181 1.00 0.00 N ATOM 1144 CA GLU A 73 -10.689 3.403 2.950 1.00 0.00 C ATOM 1145 C GLU A 73 -10.433 3.754 4.401 1.00 0.00 C ATOM 1146 O GLU A 73 -11.137 4.585 4.963 1.00 0.00 O ATOM 1147 CB GLU A 73 -11.574 2.165 2.833 1.00 0.00 C ATOM 1148 CG GLU A 73 -12.192 2.022 1.462 1.00 0.00 C ATOM 1149 CD GLU A 73 -13.112 3.164 1.183 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -14.263 3.135 1.636 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -12.701 4.135 0.550 1.00 0.00 O ATOM 0 H GLU A 73 -9.324 2.300 1.807 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.218 4.251 2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.982 1.277 3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.365 2.216 3.581 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.408 1.985 0.705 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.740 1.082 1.400 1.00 0.00 H new ATOM 1158 N TRP A 74 -9.418 3.155 4.977 1.00 0.00 N ATOM 1159 CA TRP A 74 -9.062 3.380 6.364 1.00 0.00 C ATOM 1160 C TRP A 74 -8.542 4.813 6.556 1.00 0.00 C ATOM 1161 O TRP A 74 -9.072 5.569 7.359 1.00 0.00 O ATOM 1162 CB TRP A 74 -8.013 2.346 6.750 1.00 0.00 C ATOM 1163 CG TRP A 74 -7.562 2.327 8.169 1.00 0.00 C ATOM 1164 CD1 TRP A 74 -8.180 1.730 9.225 1.00 0.00 C ATOM 1165 CD2 TRP A 74 -6.351 2.875 8.666 1.00 0.00 C ATOM 1166 NE1 TRP A 74 -7.417 1.879 10.354 1.00 0.00 N ATOM 1167 CE2 TRP A 74 -6.287 2.580 10.033 1.00 0.00 C ATOM 1168 CE3 TRP A 74 -5.317 3.592 8.075 1.00 0.00 C ATOM 1169 CZ2 TRP A 74 -5.216 2.968 10.823 1.00 0.00 C ATOM 1170 CZ3 TRP A 74 -4.249 3.988 8.842 1.00 0.00 C ATOM 1171 CH2 TRP A 74 -4.204 3.671 10.211 1.00 0.00 C ATOM 0 H TRP A 74 -8.810 2.493 4.496 1.00 0.00 H new ATOM 0 HA TRP A 74 -9.934 3.270 7.009 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -8.407 1.359 6.508 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.137 2.502 6.120 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -9.129 1.216 9.180 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -7.653 1.525 11.281 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.353 3.835 7.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.178 2.728 11.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.441 4.545 8.392 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.354 3.987 10.797 1.00 0.00 H new ATOM 1182 N ARG A 75 -7.552 5.203 5.768 1.00 0.00 N ATOM 1183 CA ARG A 75 -6.963 6.541 5.877 1.00 0.00 C ATOM 1184 C ARG A 75 -7.953 7.641 5.572 1.00 0.00 C ATOM 1185 O ARG A 75 -7.956 8.679 6.249 1.00 0.00 O ATOM 1186 CB ARG A 75 -5.735 6.670 5.010 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.450 6.215 5.680 1.00 0.00 C ATOM 1188 CD ARG A 75 -3.397 5.827 4.670 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.154 6.860 3.654 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.674 6.866 2.412 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -4.558 5.934 2.045 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -3.326 7.809 1.546 1.00 0.00 N ATOM 0 H ARG A 75 -7.135 4.617 5.045 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.665 6.662 6.919 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.883 6.088 4.100 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.625 7.711 4.708 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.068 7.015 6.314 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.660 5.366 6.330 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.464 5.615 5.192 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.702 4.905 4.175 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.542 7.635 3.910 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.843 5.212 2.707 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.948 5.944 1.103 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.662 8.533 1.820 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.722 7.810 0.606 1.00 0.00 H new ATOM 1206 N ALA A 76 -8.815 7.411 4.602 1.00 0.00 N ATOM 1207 CA ALA A 76 -9.837 8.386 4.243 1.00 0.00 C ATOM 1208 C ALA A 76 -10.870 8.521 5.357 1.00 0.00 C ATOM 1209 O ALA A 76 -11.452 9.584 5.554 1.00 0.00 O ATOM 1210 CB ALA A 76 -10.516 8.002 2.936 1.00 0.00 C ATOM 0 H ALA A 76 -8.832 6.557 4.045 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.348 9.351 4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.275 8.744 2.688 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.774 7.962 2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.986 7.025 3.044 1.00 0.00 H new ATOM 1216 N ALA A 77 -11.044 7.460 6.122 1.00 0.00 N ATOM 1217 CA ALA A 77 -12.021 7.442 7.175 1.00 0.00 C ATOM 1218 C ALA A 77 -11.428 8.080 8.395 1.00 0.00 C ATOM 1219 O ALA A 77 -12.107 8.761 9.157 1.00 0.00 O ATOM 1220 CB ALA A 77 -12.463 6.025 7.468 1.00 0.00 C ATOM 0 H ALA A 77 -10.512 6.595 6.026 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.903 8.003 6.866 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.203 6.033 8.268 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.903 5.588 6.571 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.602 5.432 7.776 1.00 0.00 H new ATOM 1226 N ASN A 78 -10.148 7.840 8.567 1.00 0.00 N ATOM 1227 CA ASN A 78 -9.378 8.368 9.664 1.00 0.00 C ATOM 1228 C ASN A 78 -9.175 9.867 9.532 1.00 0.00 C ATOM 1229 O ASN A 78 -9.179 10.592 10.523 1.00 0.00 O ATOM 1230 CB ASN A 78 -8.009 7.670 9.754 1.00 0.00 C ATOM 1231 CG ASN A 78 -8.016 6.258 10.345 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -7.014 5.832 10.911 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -9.106 5.542 10.237 1.00 0.00 N ATOM 0 H ASN A 78 -9.603 7.258 7.931 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.942 8.175 10.576 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.581 7.622 8.753 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.345 8.291 10.355 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -9.139 4.601 10.629 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -9.923 5.925 9.760 1.00 0.00 H new ATOM 1240 N GLY A 79 -9.025 10.330 8.312 1.00 0.00 N ATOM 1241 CA GLY A 79 -8.753 11.731 8.087 1.00 0.00 C ATOM 1242 C GLY A 79 -7.277 11.944 7.929 1.00 0.00 C ATOM 1243 O GLY A 79 -6.728 12.985 8.305 1.00 0.00 O ATOM 0 H GLY A 79 -9.086 9.762 7.467 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.277 12.074 7.194 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.127 12.322 8.923 1.00 0.00 H new ATOM 1247 N LYS A 80 -6.633 10.938 7.390 1.00 0.00 N ATOM 1248 CA LYS A 80 -5.226 10.937 7.164 1.00 0.00 C ATOM 1249 C LYS A 80 -4.905 11.486 5.792 1.00 0.00 C ATOM 1250 O LYS A 80 -5.762 12.118 5.151 1.00 0.00 O ATOM 1251 CB LYS A 80 -4.703 9.520 7.320 1.00 0.00 C ATOM 1252 CG LYS A 80 -4.609 9.089 8.767 1.00 0.00 C ATOM 1253 CD LYS A 80 -4.137 7.669 8.898 1.00 0.00 C ATOM 1254 CE LYS A 80 -3.733 7.341 10.328 1.00 0.00 C ATOM 1255 NZ LYS A 80 -4.837 7.423 11.307 1.00 0.00 N ATOM 0 H LYS A 80 -7.094 10.079 7.092 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.738 11.582 7.895 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.358 8.834 6.783 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.718 9.448 6.859 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.925 9.750 9.299 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.585 9.193 9.241 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.929 6.991 8.579 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.289 7.504 8.233 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.315 6.335 10.353 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.940 8.023 10.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.466 7.252 12.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.268 8.369 11.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.555 6.706 11.081 1.00 0.00 H new ATOM 1269 N SER A 81 -3.697 11.273 5.360 1.00 0.00 N ATOM 1270 CA SER A 81 -3.244 11.707 4.075 1.00 0.00 C ATOM 1271 C SER A 81 -4.008 10.960 2.973 1.00 0.00 C ATOM 1272 O SER A 81 -4.685 9.947 3.233 1.00 0.00 O ATOM 1273 CB SER A 81 -1.745 11.451 3.970 1.00 0.00 C ATOM 1274 OG SER A 81 -1.164 12.100 2.844 1.00 0.00 O ATOM 0 H SER A 81 -2.986 10.783 5.903 1.00 0.00 H new ATOM 0 HA SER A 81 -3.432 12.773 3.951 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.255 11.798 4.880 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.566 10.378 3.901 1.00 0.00 H new ATOM 0 HG SER A 81 -0.203 11.910 2.817 1.00 0.00 H new ATOM 1280 N GLY A 82 -3.896 11.440 1.767 1.00 0.00 N ATOM 1281 CA GLY A 82 -4.601 10.847 0.672 1.00 0.00 C ATOM 1282 C GLY A 82 -3.647 10.443 -0.395 1.00 0.00 C ATOM 1283 O GLY A 82 -2.482 10.190 -0.109 1.00 0.00 O ATOM 0 H GLY A 82 -3.320 12.244 1.519 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.160 9.978 1.018 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.327 11.554 0.272 1.00 0.00 H new ATOM 1287 N PHE A 83 -4.130 10.320 -1.584 1.00 0.00 N ATOM 1288 CA PHE A 83 -3.317 10.062 -2.712 1.00 0.00 C ATOM 1289 C PHE A 83 -3.374 11.249 -3.639 1.00 0.00 C ATOM 1290 O PHE A 83 -4.026 12.250 -3.335 1.00 0.00 O ATOM 1291 CB PHE A 83 -3.812 8.831 -3.452 1.00 0.00 C ATOM 1292 CG PHE A 83 -3.716 7.564 -2.667 1.00 0.00 C ATOM 1293 CD1 PHE A 83 -2.484 7.077 -2.287 1.00 0.00 C ATOM 1294 CD2 PHE A 83 -4.847 6.855 -2.317 1.00 0.00 C ATOM 1295 CE1 PHE A 83 -2.382 5.913 -1.572 1.00 0.00 C ATOM 1296 CE2 PHE A 83 -4.743 5.683 -1.599 1.00 0.00 C ATOM 1297 CZ PHE A 83 -3.513 5.215 -1.226 1.00 0.00 C ATOM 0 H PHE A 83 -5.124 10.399 -1.799 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.294 9.888 -2.380 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.851 8.988 -3.741 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.239 8.719 -4.372 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.589 7.619 -2.556 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.821 7.221 -2.608 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.410 5.543 -1.280 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.633 5.134 -1.331 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.431 4.298 -0.661 1.00 0.00 H new ATOM 1307 N LYS A 84 -2.683 11.153 -4.724 1.00 0.00 N ATOM 1308 CA LYS A 84 -2.756 12.127 -5.770 1.00 0.00 C ATOM 1309 C LYS A 84 -3.881 11.677 -6.697 1.00 0.00 C ATOM 1310 O LYS A 84 -4.103 10.484 -6.866 1.00 0.00 O ATOM 1311 CB LYS A 84 -1.409 12.176 -6.488 1.00 0.00 C ATOM 1312 CG LYS A 84 -1.290 13.216 -7.589 1.00 0.00 C ATOM 1313 CD LYS A 84 0.073 13.158 -8.280 1.00 0.00 C ATOM 1314 CE LYS A 84 1.214 13.531 -7.346 1.00 0.00 C ATOM 1315 NZ LYS A 84 2.540 13.318 -7.975 1.00 0.00 N ATOM 0 H LYS A 84 -2.040 10.385 -4.916 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.964 13.131 -5.401 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.630 12.364 -5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.210 11.194 -6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.078 13.058 -8.325 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.442 14.210 -7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.238 12.153 -8.667 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.072 13.833 -9.136 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.116 14.576 -7.053 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.145 12.937 -6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.288 13.616 -7.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.659 12.310 -8.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.604 13.878 -8.849 1.00 0.00 H new ATOM 1329 N GLN A 85 -4.575 12.603 -7.283 1.00 0.00 N ATOM 1330 CA GLN A 85 -5.782 12.279 -8.062 1.00 0.00 C ATOM 1331 C GLN A 85 -5.502 12.200 -9.565 1.00 0.00 C ATOM 1332 O GLN A 85 -6.414 12.280 -10.394 1.00 0.00 O ATOM 1333 CB GLN A 85 -6.852 13.311 -7.744 1.00 0.00 C ATOM 1334 CG GLN A 85 -6.463 14.711 -8.186 1.00 0.00 C ATOM 1335 CD GLN A 85 -6.997 15.816 -7.302 1.00 0.00 C ATOM 1336 OE1 GLN A 85 -7.115 15.559 -6.020 1.00 0.00 O flip ATOM 1337 NE2 GLN A 85 -7.254 16.924 -7.777 1.00 0.00 N flip ATOM 0 H GLN A 85 -4.346 13.596 -7.251 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.132 11.287 -7.777 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.784 13.025 -8.233 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.042 13.313 -6.671 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.376 14.780 -8.217 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -6.821 14.871 -9.203 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.150 17.086 -8.779 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.570 17.679 -7.168 1.00 0.00 H new ATOM 1346 N GLY A 86 -4.279 11.987 -9.901 1.00 0.00 N ATOM 1347 CA GLY A 86 -3.904 11.910 -11.287 1.00 0.00 C ATOM 1348 C GLY A 86 -2.906 12.968 -11.616 1.00 0.00 C ATOM 1349 O GLY A 86 -2.881 13.466 -12.752 1.00 0.00 O ATOM 1350 OXT GLY A 86 -2.125 13.334 -10.731 1.00 0.00 O ATOM 0 H GLY A 86 -3.512 11.861 -9.241 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.486 10.927 -11.503 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.787 12.026 -11.916 1.00 0.00 H new