USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 818 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 THR OG1 : rot -170:sc= 0.0712 USER MOD Single : A 8 TYR OH : rot 30:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot -53:sc= 0.426 USER MOD Single : A 25 ASN : amide:sc= -0.229 K(o=-0.23,f=-1.6) USER MOD Single : A 27 SER OG : rot 93:sc= 2.07 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -3.74! C(o=-3.7!,f=-6.4!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 176:sc= -0.567 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 149:sc= -0.164 (180deg=-1.63!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 114:sc= 0.436 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 176:sc= 0.267 USER MOD Single : A 72 TYR OH : rot 180:sc= -0.939 USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 78 MET CE :methyl -155:sc= -2.55 (180deg=-4.05!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0176 USER MOD Single : A 91 GLN : amide:sc= -0.0412 X(o=-0.041,f=-0.042) USER MOD Single : A 93 LYS NZ :NH3+ -179:sc= 0.0562 (180deg=-0.00211) USER MOD Single : A 95 GLN : amide:sc= -1.28 X(o=-1.3,f=-1.6) USER MOD Single : A 96 THR OG1 : rot -84:sc= 0.858 USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B -4 SER OG : rot -9:sc= 1.03 USER MOD Single : B -7 PHE N :NH3+ 153:sc= 0.0105 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 2 5.188 -2.741 -6.551 1.00 62.43 N ATOM 43 CA LEU A 2 6.481 -2.706 -7.227 1.00 55.53 C ATOM 44 C LEU A 2 6.978 -4.116 -7.527 1.00 33.11 C ATOM 45 O LEU A 2 6.678 -5.060 -6.795 1.00 55.24 O ATOM 46 CB LEU A 2 7.506 -1.962 -6.370 1.00 23.32 C ATOM 47 CG LEU A 2 8.095 -2.747 -5.196 1.00 53.35 C ATOM 48 CD1 LEU A 2 9.524 -3.169 -5.500 1.00 33.31 C ATOM 49 CD2 LEU A 2 8.041 -1.919 -3.921 1.00 11.41 C ATOM 0 HA LEU A 2 6.355 -2.178 -8.172 1.00 55.53 H new ATOM 0 HB2 LEU A 2 8.325 -1.642 -7.014 1.00 23.32 H new ATOM 0 HB3 LEU A 2 7.036 -1.060 -5.979 1.00 23.32 H new ATOM 0 HG LEU A 2 7.497 -3.646 -5.047 1.00 53.35 H new ATOM 0 HD11 LEU A 2 9.927 -3.726 -4.654 1.00 33.31 H new ATOM 0 HD12 LEU A 2 9.536 -3.800 -6.389 1.00 33.31 H new ATOM 0 HD13 LEU A 2 10.135 -2.284 -5.676 1.00 33.31 H new ATOM 0 HD21 LEU A 2 8.464 -2.493 -3.096 1.00 11.41 H new ATOM 0 HD22 LEU A 2 8.615 -1.003 -4.058 1.00 11.41 H new ATOM 0 HD23 LEU A 2 7.005 -1.667 -3.694 1.00 11.41 H new ATOM 61 N PHE A 3 7.741 -4.252 -8.606 1.00 22.10 N ATOM 62 CA PHE A 3 8.282 -5.547 -9.002 1.00 34.31 C ATOM 63 C PHE A 3 9.789 -5.463 -9.223 1.00 21.23 C ATOM 64 O PHE A 3 10.346 -4.376 -9.370 1.00 12.32 O ATOM 65 CB PHE A 3 7.595 -6.042 -10.276 1.00 71.25 C ATOM 66 CG PHE A 3 6.196 -6.540 -10.049 1.00 61.12 C ATOM 67 CD1 PHE A 3 5.202 -5.679 -9.613 1.00 4.22 C ATOM 68 CD2 PHE A 3 5.875 -7.870 -10.271 1.00 42.44 C ATOM 69 CE1 PHE A 3 3.914 -6.134 -9.403 1.00 1.41 C ATOM 70 CE2 PHE A 3 4.589 -8.330 -10.064 1.00 13.13 C ATOM 71 CZ PHE A 3 3.607 -7.461 -9.628 1.00 23.32 C ATOM 0 H PHE A 3 7.999 -3.481 -9.222 1.00 22.10 H new ATOM 0 HA PHE A 3 8.090 -6.255 -8.195 1.00 34.31 H new ATOM 0 HB2 PHE A 3 7.570 -5.231 -11.004 1.00 71.25 H new ATOM 0 HB3 PHE A 3 8.191 -6.844 -10.712 1.00 71.25 H new ATOM 0 HD1 PHE A 3 5.436 -4.640 -9.435 1.00 4.22 H new ATOM 0 HD2 PHE A 3 6.639 -8.554 -10.610 1.00 42.44 H new ATOM 0 HE1 PHE A 3 3.148 -5.452 -9.063 1.00 1.41 H new ATOM 0 HE2 PHE A 3 4.351 -9.368 -10.243 1.00 13.13 H new ATOM 0 HZ PHE A 3 2.601 -7.819 -9.464 1.00 23.32 H new ATOM 81 N ALA A 4 10.443 -6.620 -9.244 1.00 4.20 N ATOM 82 CA ALA A 4 11.885 -6.678 -9.448 1.00 65.11 C ATOM 83 C ALA A 4 12.254 -7.759 -10.458 1.00 73.52 C ATOM 84 O ALA A 4 11.413 -8.569 -10.851 1.00 1.42 O ATOM 85 CB ALA A 4 12.596 -6.924 -8.125 1.00 61.45 C ATOM 0 H ALA A 4 9.997 -7.529 -9.122 1.00 4.20 H new ATOM 0 HA ALA A 4 12.209 -5.718 -9.849 1.00 65.11 H new ATOM 0 HB1 ALA A 4 13.672 -6.965 -8.292 1.00 61.45 H new ATOM 0 HB2 ALA A 4 12.367 -6.114 -7.433 1.00 61.45 H new ATOM 0 HB3 ALA A 4 12.259 -7.870 -7.701 1.00 61.45 H new ATOM 91 N VAL A 5 13.516 -7.767 -10.876 1.00 74.32 N ATOM 92 CA VAL A 5 13.995 -8.750 -11.841 1.00 2.22 C ATOM 93 C VAL A 5 15.316 -9.363 -11.390 1.00 3.10 C ATOM 94 O VAL A 5 16.248 -8.651 -11.014 1.00 63.10 O ATOM 95 CB VAL A 5 14.182 -8.123 -13.235 1.00 42.40 C ATOM 96 CG1 VAL A 5 15.191 -6.986 -13.178 1.00 44.14 C ATOM 97 CG2 VAL A 5 14.613 -9.180 -14.241 1.00 1.52 C ATOM 0 H VAL A 5 14.225 -7.104 -10.562 1.00 74.32 H new ATOM 0 HA VAL A 5 13.237 -9.531 -11.901 1.00 2.22 H new ATOM 0 HB VAL A 5 13.226 -7.712 -13.561 1.00 42.40 H new ATOM 0 HG11 VAL A 5 15.310 -6.555 -14.172 1.00 44.14 H new ATOM 0 HG12 VAL A 5 14.836 -6.219 -12.490 1.00 44.14 H new ATOM 0 HG13 VAL A 5 16.151 -7.368 -12.831 1.00 44.14 H new ATOM 0 HG21 VAL A 5 14.740 -8.719 -15.221 1.00 1.52 H new ATOM 0 HG22 VAL A 5 15.557 -9.622 -13.922 1.00 1.52 H new ATOM 0 HG23 VAL A 5 13.851 -9.957 -14.302 1.00 1.52 H new ATOM 107 N THR A 6 15.391 -10.690 -11.430 1.00 41.34 N ATOM 108 CA THR A 6 16.598 -11.400 -11.026 1.00 13.24 C ATOM 109 C THR A 6 17.686 -11.283 -12.086 1.00 45.31 C ATOM 110 O THR A 6 17.427 -11.451 -13.278 1.00 71.04 O ATOM 111 CB THR A 6 16.311 -12.890 -10.763 1.00 30.30 C ATOM 112 OG1 THR A 6 14.988 -13.219 -11.202 1.00 23.41 O ATOM 113 CG2 THR A 6 16.456 -13.217 -9.284 1.00 41.13 C ATOM 0 H THR A 6 14.630 -11.295 -11.738 1.00 41.34 H new ATOM 0 HA THR A 6 16.944 -10.935 -10.103 1.00 13.24 H new ATOM 0 HB THR A 6 17.037 -13.481 -11.322 1.00 30.30 H new ATOM 0 HG1 THR A 6 14.755 -14.119 -10.892 1.00 23.41 H new ATOM 0 HG21 THR A 6 16.248 -14.275 -9.123 1.00 41.13 H new ATOM 0 HG22 THR A 6 17.472 -12.993 -8.960 1.00 41.13 H new ATOM 0 HG23 THR A 6 15.751 -12.617 -8.708 1.00 41.13 H new ATOM 121 N LEU A 7 18.906 -10.994 -11.646 1.00 0.03 N ATOM 122 CA LEU A 7 20.036 -10.855 -12.558 1.00 30.11 C ATOM 123 C LEU A 7 21.005 -12.024 -12.407 1.00 14.31 C ATOM 124 O LEU A 7 21.888 -12.222 -13.241 1.00 24.52 O ATOM 125 CB LEU A 7 20.766 -9.536 -12.300 1.00 22.04 C ATOM 126 CG LEU A 7 19.889 -8.285 -12.235 1.00 44.00 C ATOM 127 CD1 LEU A 7 20.647 -7.135 -11.590 1.00 42.34 C ATOM 128 CD2 LEU A 7 19.410 -7.897 -13.626 1.00 62.13 C ATOM 0 H LEU A 7 19.138 -10.851 -10.663 1.00 0.03 H new ATOM 0 HA LEU A 7 19.650 -10.856 -13.578 1.00 30.11 H new ATOM 0 HB2 LEU A 7 21.310 -9.623 -11.360 1.00 22.04 H new ATOM 0 HB3 LEU A 7 21.508 -9.395 -13.086 1.00 22.04 H new ATOM 0 HG LEU A 7 19.016 -8.508 -11.621 1.00 44.00 H new ATOM 0 HD11 LEU A 7 20.007 -6.253 -11.552 1.00 42.34 H new ATOM 0 HD12 LEU A 7 20.940 -7.414 -10.578 1.00 42.34 H new ATOM 0 HD13 LEU A 7 21.538 -6.912 -12.177 1.00 42.34 H new ATOM 0 HD21 LEU A 7 18.787 -7.005 -13.561 1.00 62.13 H new ATOM 0 HD22 LEU A 7 20.270 -7.693 -14.263 1.00 62.13 H new ATOM 0 HD23 LEU A 7 18.829 -8.715 -14.052 1.00 62.13 H new ATOM 140 N TYR A 8 20.831 -12.795 -11.339 1.00 51.05 N ATOM 141 CA TYR A 8 21.690 -13.944 -11.079 1.00 34.20 C ATOM 142 C TYR A 8 20.869 -15.143 -10.613 1.00 70.14 C ATOM 143 O TYR A 8 19.767 -14.988 -10.088 1.00 42.20 O ATOM 144 CB TYR A 8 22.742 -13.593 -10.026 1.00 41.42 C ATOM 145 CG TYR A 8 23.605 -12.410 -10.404 1.00 64.33 C ATOM 146 CD1 TYR A 8 23.131 -11.110 -10.278 1.00 20.32 C ATOM 147 CD2 TYR A 8 24.895 -12.593 -10.889 1.00 14.22 C ATOM 148 CE1 TYR A 8 23.916 -10.027 -10.623 1.00 12.14 C ATOM 149 CE2 TYR A 8 25.687 -11.515 -11.235 1.00 31.34 C ATOM 150 CZ TYR A 8 25.193 -10.234 -11.100 1.00 21.50 C ATOM 151 OH TYR A 8 25.979 -9.159 -11.445 1.00 13.42 O ATOM 0 H TYR A 8 20.103 -12.645 -10.640 1.00 51.05 H new ATOM 0 HA TYR A 8 22.191 -14.209 -12.010 1.00 34.20 H new ATOM 0 HB2 TYR A 8 22.242 -13.380 -9.081 1.00 41.42 H new ATOM 0 HB3 TYR A 8 23.381 -14.460 -9.860 1.00 41.42 H new ATOM 0 HD1 TYR A 8 22.132 -10.943 -9.904 1.00 20.32 H new ATOM 0 HD2 TYR A 8 25.285 -13.594 -10.997 1.00 14.22 H new ATOM 0 HE1 TYR A 8 23.531 -9.023 -10.520 1.00 12.14 H new ATOM 0 HE2 TYR A 8 26.688 -11.674 -11.609 1.00 31.34 H new ATOM 0 HH TYR A 8 25.737 -8.386 -10.892 1.00 13.42 H new ATOM 161 N GLU A 9 21.416 -16.339 -10.810 1.00 51.32 N ATOM 162 CA GLU A 9 20.735 -17.565 -10.411 1.00 12.42 C ATOM 163 C GLU A 9 20.974 -17.864 -8.934 1.00 1.53 C ATOM 164 O GLU A 9 22.057 -18.302 -8.545 1.00 41.30 O ATOM 165 CB GLU A 9 21.213 -18.741 -11.265 1.00 34.15 C ATOM 166 CG GLU A 9 20.730 -20.092 -10.764 1.00 22.14 C ATOM 167 CD GLU A 9 20.550 -21.099 -11.883 1.00 54.20 C ATOM 168 OE1 GLU A 9 19.445 -21.147 -12.464 1.00 41.13 O ATOM 169 OE2 GLU A 9 21.512 -21.838 -12.178 1.00 35.33 O ATOM 0 H GLU A 9 22.328 -16.485 -11.243 1.00 51.32 H new ATOM 0 HA GLU A 9 19.665 -17.424 -10.567 1.00 12.42 H new ATOM 0 HB2 GLU A 9 20.869 -18.599 -12.290 1.00 34.15 H new ATOM 0 HB3 GLU A 9 22.303 -18.741 -11.291 1.00 34.15 H new ATOM 0 HG2 GLU A 9 21.444 -20.483 -10.040 1.00 22.14 H new ATOM 0 HG3 GLU A 9 19.783 -19.964 -10.240 1.00 22.14 H new ATOM 176 N PHE A 10 19.956 -17.623 -8.115 1.00 14.32 N ATOM 177 CA PHE A 10 20.055 -17.864 -6.680 1.00 74.21 C ATOM 178 C PHE A 10 19.216 -19.072 -6.273 1.00 22.33 C ATOM 179 O PHE A 10 17.993 -18.985 -6.161 1.00 2.11 O ATOM 180 CB PHE A 10 19.601 -16.628 -5.901 1.00 33.11 C ATOM 181 CG PHE A 10 19.661 -16.803 -4.410 1.00 61.44 C ATOM 182 CD1 PHE A 10 20.813 -16.487 -3.709 1.00 2.14 C ATOM 183 CD2 PHE A 10 18.566 -17.284 -3.711 1.00 71.10 C ATOM 184 CE1 PHE A 10 20.872 -16.648 -2.337 1.00 74.12 C ATOM 185 CE2 PHE A 10 18.618 -17.447 -2.339 1.00 43.04 C ATOM 186 CZ PHE A 10 19.773 -17.128 -1.652 1.00 15.54 C ATOM 0 H PHE A 10 19.053 -17.261 -8.420 1.00 14.32 H new ATOM 0 HA PHE A 10 21.098 -18.071 -6.443 1.00 74.21 H new ATOM 0 HB2 PHE A 10 20.225 -15.780 -6.185 1.00 33.11 H new ATOM 0 HB3 PHE A 10 18.579 -16.382 -6.189 1.00 33.11 H new ATOM 0 HD1 PHE A 10 21.675 -16.111 -4.240 1.00 2.14 H new ATOM 0 HD2 PHE A 10 17.661 -17.535 -4.244 1.00 71.10 H new ATOM 0 HE1 PHE A 10 21.776 -16.399 -1.802 1.00 74.12 H new ATOM 0 HE2 PHE A 10 17.757 -17.823 -1.806 1.00 43.04 H new ATOM 0 HZ PHE A 10 19.817 -17.254 -0.580 1.00 15.54 H new ATOM 196 N LYS A 11 19.883 -20.200 -6.053 1.00 32.34 N ATOM 197 CA LYS A 11 19.202 -21.427 -5.657 1.00 72.40 C ATOM 198 C LYS A 11 18.858 -21.404 -4.171 1.00 52.01 C ATOM 199 O LYS A 11 19.733 -21.223 -3.325 1.00 14.12 O ATOM 200 CB LYS A 11 20.076 -22.644 -5.970 1.00 0.12 C ATOM 201 CG LYS A 11 20.387 -22.805 -7.448 1.00 30.53 C ATOM 202 CD LYS A 11 19.118 -22.910 -8.276 1.00 73.45 C ATOM 203 CE LYS A 11 19.382 -23.573 -9.620 1.00 3.32 C ATOM 204 NZ LYS A 11 19.425 -25.057 -9.508 1.00 30.14 N ATOM 0 H LYS A 11 20.895 -20.290 -6.142 1.00 32.34 H new ATOM 0 HA LYS A 11 18.275 -21.497 -6.225 1.00 72.40 H new ATOM 0 HB2 LYS A 11 21.012 -22.561 -5.417 1.00 0.12 H new ATOM 0 HB3 LYS A 11 19.574 -23.543 -5.613 1.00 0.12 H new ATOM 0 HG2 LYS A 11 20.977 -21.955 -7.791 1.00 30.53 H new ATOM 0 HG3 LYS A 11 20.995 -23.697 -7.598 1.00 30.53 H new ATOM 0 HD2 LYS A 11 18.371 -23.483 -7.727 1.00 73.45 H new ATOM 0 HD3 LYS A 11 18.703 -21.915 -8.435 1.00 73.45 H new ATOM 0 HE2 LYS A 11 18.603 -23.285 -10.326 1.00 3.32 H new ATOM 0 HE3 LYS A 11 20.328 -23.212 -10.023 1.00 3.32 H new ATOM 0 HZ1 LYS A 11 19.607 -25.471 -10.445 1.00 30.14 H new ATOM 0 HZ2 LYS A 11 20.185 -25.334 -8.854 1.00 30.14 H new ATOM 0 HZ3 LYS A 11 18.514 -25.404 -9.147 1.00 30.14 H new ATOM 218 N ALA A 12 17.579 -21.590 -3.861 1.00 52.45 N ATOM 219 CA ALA A 12 17.121 -21.593 -2.478 1.00 35.22 C ATOM 220 C ALA A 12 17.704 -22.774 -1.709 1.00 72.24 C ATOM 221 O ALA A 12 17.895 -23.855 -2.266 1.00 54.32 O ATOM 222 CB ALA A 12 15.600 -21.626 -2.425 1.00 43.04 C ATOM 0 H ALA A 12 16.842 -21.741 -4.550 1.00 52.45 H new ATOM 0 HA ALA A 12 17.470 -20.676 -2.004 1.00 35.22 H new ATOM 0 HB1 ALA A 12 15.272 -21.628 -1.385 1.00 43.04 H new ATOM 0 HB2 ALA A 12 15.199 -20.747 -2.930 1.00 43.04 H new ATOM 0 HB3 ALA A 12 15.238 -22.526 -2.921 1.00 43.04 H new ATOM 228 N GLU A 13 17.986 -22.560 -0.428 1.00 55.40 N ATOM 229 CA GLU A 13 18.549 -23.607 0.415 1.00 31.33 C ATOM 230 C GLU A 13 17.455 -24.309 1.215 1.00 0.45 C ATOM 231 O GLU A 13 17.555 -25.499 1.513 1.00 5.14 O ATOM 232 CB GLU A 13 19.595 -23.021 1.366 1.00 54.52 C ATOM 233 CG GLU A 13 19.093 -21.826 2.160 1.00 30.54 C ATOM 234 CD GLU A 13 20.102 -21.340 3.182 1.00 45.21 C ATOM 235 OE1 GLU A 13 20.392 -22.092 4.135 1.00 4.14 O ATOM 236 OE2 GLU A 13 20.603 -20.206 3.027 1.00 52.01 O ATOM 0 H GLU A 13 17.834 -21.671 0.048 1.00 55.40 H new ATOM 0 HA GLU A 13 19.029 -24.340 -0.233 1.00 31.33 H new ATOM 0 HB2 GLU A 13 19.919 -23.797 2.059 1.00 54.52 H new ATOM 0 HB3 GLU A 13 20.471 -22.722 0.790 1.00 54.52 H new ATOM 0 HG2 GLU A 13 18.855 -21.013 1.474 1.00 30.54 H new ATOM 0 HG3 GLU A 13 18.167 -22.095 2.668 1.00 30.54 H new ATOM 243 N ARG A 14 16.411 -23.562 1.560 1.00 3.35 N ATOM 244 CA ARG A 14 15.299 -24.110 2.327 1.00 24.34 C ATOM 245 C ARG A 14 13.967 -23.569 1.817 1.00 62.12 C ATOM 246 O ARG A 14 13.928 -22.766 0.885 1.00 45.24 O ATOM 247 CB ARG A 14 15.462 -23.777 3.812 1.00 62.14 C ATOM 248 CG ARG A 14 16.707 -24.383 4.439 1.00 43.33 C ATOM 249 CD ARG A 14 16.480 -25.831 4.842 1.00 33.12 C ATOM 250 NE ARG A 14 15.399 -25.965 5.815 1.00 1.25 N ATOM 251 CZ ARG A 14 15.000 -27.129 6.315 1.00 75.24 C ATOM 252 NH1 ARG A 14 15.589 -28.254 5.934 1.00 33.43 N ATOM 253 NH2 ARG A 14 14.009 -27.169 7.197 1.00 70.44 N ATOM 0 H ARG A 14 16.312 -22.575 1.320 1.00 3.35 H new ATOM 0 HA ARG A 14 15.303 -25.193 2.202 1.00 24.34 H new ATOM 0 HB2 ARG A 14 15.496 -22.694 3.931 1.00 62.14 H new ATOM 0 HB3 ARG A 14 14.584 -24.130 4.353 1.00 62.14 H new ATOM 0 HG2 ARG A 14 17.535 -24.326 3.733 1.00 43.33 H new ATOM 0 HG3 ARG A 14 16.994 -23.801 5.315 1.00 43.33 H new ATOM 0 HD2 ARG A 14 16.246 -26.421 3.956 1.00 33.12 H new ATOM 0 HD3 ARG A 14 17.399 -26.239 5.263 1.00 33.12 H new ATOM 0 HE ARG A 14 14.924 -25.118 6.128 1.00 1.25 H new ATOM 0 HH11 ARG A 14 16.350 -28.227 5.256 1.00 33.43 H new ATOM 0 HH12 ARG A 14 15.281 -29.147 6.319 1.00 33.43 H new ATOM 0 HH21 ARG A 14 13.553 -26.305 7.491 1.00 70.44 H new ATOM 0 HH22 ARG A 14 13.703 -28.063 7.580 1.00 70.44 H new ATOM 267 N ASP A 15 12.878 -24.015 2.433 1.00 2.02 N ATOM 268 CA ASP A 15 11.544 -23.575 2.042 1.00 70.33 C ATOM 269 C ASP A 15 11.404 -22.064 2.191 1.00 3.44 C ATOM 270 O ASP A 15 10.645 -21.425 1.462 1.00 21.21 O ATOM 271 CB ASP A 15 10.483 -24.284 2.885 1.00 75.04 C ATOM 272 CG ASP A 15 10.845 -24.326 4.356 1.00 12.11 C ATOM 273 OD1 ASP A 15 10.489 -23.374 5.082 1.00 3.14 O ATOM 274 OD2 ASP A 15 11.483 -25.311 4.782 1.00 70.02 O ATOM 0 H ASP A 15 12.893 -24.681 3.205 1.00 2.02 H new ATOM 0 HA ASP A 15 11.396 -23.833 0.993 1.00 70.33 H new ATOM 0 HB2 ASP A 15 9.527 -23.775 2.764 1.00 75.04 H new ATOM 0 HB3 ASP A 15 10.351 -25.302 2.517 1.00 75.04 H new ATOM 279 N ASP A 16 12.140 -21.498 3.141 1.00 5.15 N ATOM 280 CA ASP A 16 12.099 -20.061 3.387 1.00 31.02 C ATOM 281 C ASP A 16 12.645 -19.289 2.190 1.00 31.01 C ATOM 282 O ASP A 16 12.307 -18.124 1.985 1.00 0.21 O ATOM 283 CB ASP A 16 12.900 -19.713 4.643 1.00 63.34 C ATOM 284 CG ASP A 16 12.360 -20.398 5.883 1.00 54.24 C ATOM 285 OD1 ASP A 16 11.122 -20.504 6.010 1.00 14.43 O ATOM 286 OD2 ASP A 16 13.174 -20.828 6.725 1.00 64.50 O ATOM 0 H ASP A 16 12.773 -22.013 3.754 1.00 5.15 H new ATOM 0 HA ASP A 16 11.059 -19.773 3.538 1.00 31.02 H new ATOM 0 HB2 ASP A 16 13.941 -20.000 4.497 1.00 63.34 H new ATOM 0 HB3 ASP A 16 12.885 -18.633 4.792 1.00 63.34 H new ATOM 291 N GLU A 17 13.491 -19.947 1.404 1.00 24.00 N ATOM 292 CA GLU A 17 14.085 -19.321 0.229 1.00 43.23 C ATOM 293 C GLU A 17 13.431 -19.835 -1.051 1.00 4.03 C ATOM 294 O GLU A 17 13.002 -20.987 -1.122 1.00 61.33 O ATOM 295 CB GLU A 17 15.591 -19.588 0.187 1.00 4.44 C ATOM 296 CG GLU A 17 16.308 -19.233 1.480 1.00 71.43 C ATOM 297 CD GLU A 17 16.389 -17.737 1.711 1.00 54.13 C ATOM 298 OE1 GLU A 17 16.825 -17.016 0.789 1.00 24.42 O ATOM 299 OE2 GLU A 17 16.014 -17.287 2.814 1.00 42.52 O ATOM 0 H GLU A 17 13.780 -20.913 1.560 1.00 24.00 H new ATOM 0 HA GLU A 17 13.915 -18.246 0.298 1.00 43.23 H new ATOM 0 HB2 GLU A 17 15.759 -20.642 -0.034 1.00 4.44 H new ATOM 0 HB3 GLU A 17 16.030 -19.017 -0.631 1.00 4.44 H new ATOM 0 HG2 GLU A 17 15.789 -19.699 2.318 1.00 71.43 H new ATOM 0 HG3 GLU A 17 17.315 -19.648 1.458 1.00 71.43 H new ATOM 306 N LEU A 18 13.358 -18.973 -2.058 1.00 45.45 N ATOM 307 CA LEU A 18 12.757 -19.338 -3.336 1.00 54.11 C ATOM 308 C LEU A 18 13.779 -19.249 -4.465 1.00 33.12 C ATOM 309 O LEU A 18 14.326 -18.181 -4.737 1.00 42.43 O ATOM 310 CB LEU A 18 11.565 -18.428 -3.639 1.00 73.44 C ATOM 311 CG LEU A 18 10.551 -18.965 -4.650 1.00 74.41 C ATOM 312 CD1 LEU A 18 9.518 -19.840 -3.957 1.00 14.14 C ATOM 313 CD2 LEU A 18 9.873 -17.819 -5.387 1.00 4.13 C ATOM 0 H LEU A 18 13.708 -18.016 -2.015 1.00 45.45 H new ATOM 0 HA LEU A 18 12.411 -20.369 -3.265 1.00 54.11 H new ATOM 0 HB2 LEU A 18 11.043 -18.223 -2.704 1.00 73.44 H new ATOM 0 HB3 LEU A 18 11.945 -17.475 -4.007 1.00 73.44 H new ATOM 0 HG LEU A 18 11.084 -19.575 -5.380 1.00 74.41 H new ATOM 0 HD11 LEU A 18 8.805 -20.213 -4.692 1.00 14.14 H new ATOM 0 HD12 LEU A 18 10.017 -20.681 -3.477 1.00 14.14 H new ATOM 0 HD13 LEU A 18 8.990 -19.254 -3.205 1.00 14.14 H new ATOM 0 HD21 LEU A 18 9.155 -18.220 -6.102 1.00 4.13 H new ATOM 0 HD22 LEU A 18 9.354 -17.182 -4.671 1.00 4.13 H new ATOM 0 HD23 LEU A 18 10.624 -17.233 -5.917 1.00 4.13 H new ATOM 325 N ASP A 19 14.029 -20.378 -5.119 1.00 4.21 N ATOM 326 CA ASP A 19 14.983 -20.427 -6.221 1.00 23.21 C ATOM 327 C ASP A 19 14.597 -19.440 -7.318 1.00 63.54 C ATOM 328 O ASP A 19 13.418 -19.266 -7.625 1.00 34.45 O ATOM 329 CB ASP A 19 15.059 -21.843 -6.795 1.00 25.05 C ATOM 330 CG ASP A 19 15.093 -22.905 -5.713 1.00 2.11 C ATOM 331 OD1 ASP A 19 14.026 -23.196 -5.134 1.00 53.42 O ATOM 332 OD2 ASP A 19 16.187 -23.444 -5.445 1.00 22.54 O ATOM 0 H ASP A 19 13.585 -21.271 -4.905 1.00 4.21 H new ATOM 0 HA ASP A 19 15.963 -20.147 -5.834 1.00 23.21 H new ATOM 0 HB2 ASP A 19 14.200 -22.016 -7.443 1.00 25.05 H new ATOM 0 HB3 ASP A 19 15.950 -21.933 -7.416 1.00 25.05 H new ATOM 337 N VAL A 20 15.600 -18.796 -7.907 1.00 12.31 N ATOM 338 CA VAL A 20 15.366 -17.826 -8.970 1.00 73.24 C ATOM 339 C VAL A 20 16.486 -17.863 -10.004 1.00 1.44 C ATOM 340 O VAL A 20 17.592 -18.323 -9.719 1.00 52.05 O ATOM 341 CB VAL A 20 15.245 -16.397 -8.410 1.00 42.40 C ATOM 342 CG1 VAL A 20 13.825 -16.126 -7.936 1.00 62.53 C ATOM 343 CG2 VAL A 20 16.243 -16.181 -7.282 1.00 35.33 C ATOM 0 H VAL A 20 16.582 -18.929 -7.666 1.00 12.31 H new ATOM 0 HA VAL A 20 14.426 -18.101 -9.448 1.00 73.24 H new ATOM 0 HB VAL A 20 15.476 -15.692 -9.209 1.00 42.40 H new ATOM 0 HG11 VAL A 20 13.760 -15.111 -7.544 1.00 62.53 H new ATOM 0 HG12 VAL A 20 13.135 -16.237 -8.772 1.00 62.53 H new ATOM 0 HG13 VAL A 20 13.562 -16.836 -7.152 1.00 62.53 H new ATOM 0 HG21 VAL A 20 16.144 -15.166 -6.898 1.00 35.33 H new ATOM 0 HG22 VAL A 20 16.046 -16.893 -6.481 1.00 35.33 H new ATOM 0 HG23 VAL A 20 17.255 -16.329 -7.658 1.00 35.33 H new ATOM 353 N SER A 21 16.193 -17.374 -11.204 1.00 54.52 N ATOM 354 CA SER A 21 17.174 -17.353 -12.282 1.00 45.21 C ATOM 355 C SER A 21 17.271 -15.962 -12.902 1.00 62.22 C ATOM 356 O SER A 21 16.373 -15.131 -12.768 1.00 2.21 O ATOM 357 CB SER A 21 16.806 -18.378 -13.356 1.00 73.11 C ATOM 358 OG SER A 21 17.361 -19.648 -13.061 1.00 34.13 O ATOM 0 H SER A 21 15.283 -16.987 -11.455 1.00 54.52 H new ATOM 0 HA SER A 21 18.145 -17.612 -11.860 1.00 45.21 H new ATOM 0 HB2 SER A 21 15.721 -18.460 -13.429 1.00 73.11 H new ATOM 0 HB3 SER A 21 17.166 -18.037 -14.327 1.00 73.11 H new ATOM 0 HG SER A 21 18.325 -19.556 -12.909 1.00 34.13 H new ATOM 364 N PRO A 22 18.388 -15.702 -13.598 1.00 72.24 N ATOM 365 CA PRO A 22 18.630 -14.414 -14.254 1.00 52.41 C ATOM 366 C PRO A 22 17.714 -14.192 -15.453 1.00 14.03 C ATOM 367 O PRO A 22 17.735 -14.960 -16.413 1.00 64.05 O ATOM 368 CB PRO A 22 20.088 -14.515 -14.707 1.00 43.34 C ATOM 369 CG PRO A 22 20.340 -15.976 -14.851 1.00 51.03 C ATOM 370 CD PRO A 22 19.500 -16.646 -13.800 1.00 32.34 C ATOM 0 HA PRO A 22 18.433 -13.574 -13.587 1.00 52.41 H new ATOM 0 HB2 PRO A 22 20.247 -13.991 -15.650 1.00 43.34 H new ATOM 0 HB3 PRO A 22 20.761 -14.067 -13.976 1.00 43.34 H new ATOM 0 HG2 PRO A 22 20.068 -16.323 -15.848 1.00 51.03 H new ATOM 0 HG3 PRO A 22 21.396 -16.206 -14.711 1.00 51.03 H new ATOM 0 HD2 PRO A 22 19.144 -17.621 -14.132 1.00 32.34 H new ATOM 0 HD3 PRO A 22 20.062 -16.808 -12.880 1.00 32.34 H new ATOM 378 N GLY A 23 16.908 -13.136 -15.389 1.00 45.43 N ATOM 379 CA GLY A 23 15.996 -12.832 -16.476 1.00 41.12 C ATOM 380 C GLY A 23 14.548 -13.081 -16.104 1.00 51.41 C ATOM 381 O GLY A 23 13.647 -12.864 -16.914 1.00 10.03 O ATOM 0 H GLY A 23 16.871 -12.486 -14.604 1.00 45.43 H new ATOM 0 HA2 GLY A 23 16.119 -11.789 -16.768 1.00 41.12 H new ATOM 0 HA3 GLY A 23 16.255 -13.439 -17.344 1.00 41.12 H new ATOM 385 N GLU A 24 14.324 -13.538 -14.876 1.00 61.12 N ATOM 386 CA GLU A 24 12.975 -13.819 -14.400 1.00 55.25 C ATOM 387 C GLU A 24 12.345 -12.573 -13.783 1.00 23.21 C ATOM 388 O GLU A 24 13.033 -11.593 -13.500 1.00 31.23 O ATOM 389 CB GLU A 24 12.997 -14.954 -13.375 1.00 22.01 C ATOM 390 CG GLU A 24 12.979 -16.339 -14.000 1.00 21.05 C ATOM 391 CD GLU A 24 14.021 -16.501 -15.089 1.00 63.20 C ATOM 392 OE1 GLU A 24 15.195 -16.152 -14.843 1.00 70.21 O ATOM 393 OE2 GLU A 24 13.664 -16.977 -16.187 1.00 13.41 O ATOM 0 H GLU A 24 15.059 -13.721 -14.193 1.00 61.12 H new ATOM 0 HA GLU A 24 12.372 -14.124 -15.255 1.00 55.25 H new ATOM 0 HB2 GLU A 24 13.889 -14.856 -12.756 1.00 22.01 H new ATOM 0 HB3 GLU A 24 12.137 -14.852 -12.714 1.00 22.01 H new ATOM 0 HG2 GLU A 24 13.150 -17.086 -13.225 1.00 21.05 H new ATOM 0 HG3 GLU A 24 11.991 -16.533 -14.416 1.00 21.05 H new ATOM 400 N ASN A 25 11.033 -12.620 -13.578 1.00 20.12 N ATOM 401 CA ASN A 25 10.310 -11.496 -12.995 1.00 51.40 C ATOM 402 C ASN A 25 9.678 -11.887 -11.663 1.00 11.13 C ATOM 403 O ASN A 25 8.952 -12.878 -11.575 1.00 30.24 O ATOM 404 CB ASN A 25 9.229 -11.002 -13.959 1.00 64.35 C ATOM 405 CG ASN A 25 9.774 -10.730 -15.348 1.00 64.43 C ATOM 406 OD1 ASN A 25 10.260 -11.637 -16.025 1.00 50.11 O ATOM 407 ND2 ASN A 25 9.696 -9.477 -15.779 1.00 44.33 N ATOM 0 H ASN A 25 10.449 -13.424 -13.807 1.00 20.12 H new ATOM 0 HA ASN A 25 11.024 -10.692 -12.816 1.00 51.40 H new ATOM 0 HB2 ASN A 25 8.435 -11.746 -14.022 1.00 64.35 H new ATOM 0 HB3 ASN A 25 8.781 -10.091 -13.562 1.00 64.35 H new ATOM 0 HD21 ASN A 25 10.047 -9.234 -16.705 1.00 44.33 H new ATOM 0 HD22 ASN A 25 9.285 -8.758 -15.184 1.00 44.33 H new ATOM 414 N LEU A 26 9.958 -11.102 -10.628 1.00 70.03 N ATOM 415 CA LEU A 26 9.417 -11.365 -9.299 1.00 74.34 C ATOM 416 C LEU A 26 8.725 -10.127 -8.738 1.00 4.11 C ATOM 417 O LEU A 26 8.989 -9.006 -9.173 1.00 10.24 O ATOM 418 CB LEU A 26 10.531 -11.815 -8.353 1.00 2.51 C ATOM 419 CG LEU A 26 11.205 -13.144 -8.693 1.00 22.30 C ATOM 420 CD1 LEU A 26 12.605 -12.909 -9.239 1.00 1.04 C ATOM 421 CD2 LEU A 26 11.253 -14.047 -7.469 1.00 13.45 C ATOM 0 H LEU A 26 10.557 -10.278 -10.684 1.00 70.03 H new ATOM 0 HA LEU A 26 8.679 -12.163 -9.385 1.00 74.34 H new ATOM 0 HB2 LEU A 26 11.296 -11.039 -8.329 1.00 2.51 H new ATOM 0 HB3 LEU A 26 10.118 -11.887 -7.347 1.00 2.51 H new ATOM 0 HG LEU A 26 10.615 -13.641 -9.463 1.00 22.30 H new ATOM 0 HD11 LEU A 26 13.069 -13.867 -9.475 1.00 1.04 H new ATOM 0 HD12 LEU A 26 12.546 -12.302 -10.142 1.00 1.04 H new ATOM 0 HD13 LEU A 26 13.205 -12.390 -8.491 1.00 1.04 H new ATOM 0 HD21 LEU A 26 11.736 -14.989 -7.730 1.00 13.45 H new ATOM 0 HD22 LEU A 26 11.819 -13.556 -6.677 1.00 13.45 H new ATOM 0 HD23 LEU A 26 10.239 -14.244 -7.122 1.00 13.45 H new ATOM 433 N SER A 27 7.841 -10.338 -7.768 1.00 42.41 N ATOM 434 CA SER A 27 7.111 -9.239 -7.148 1.00 12.44 C ATOM 435 C SER A 27 7.560 -9.034 -5.704 1.00 32.31 C ATOM 436 O SER A 27 7.361 -9.901 -4.852 1.00 54.11 O ATOM 437 CB SER A 27 5.606 -9.509 -7.192 1.00 74.20 C ATOM 438 OG SER A 27 4.867 -8.307 -7.063 1.00 2.34 O ATOM 0 H SER A 27 7.613 -11.260 -7.395 1.00 42.41 H new ATOM 0 HA SER A 27 7.327 -8.330 -7.710 1.00 12.44 H new ATOM 0 HB2 SER A 27 5.349 -9.998 -8.131 1.00 74.20 H new ATOM 0 HB3 SER A 27 5.333 -10.195 -6.390 1.00 74.20 H new ATOM 0 HG SER A 27 4.664 -7.950 -7.953 1.00 2.34 H new ATOM 444 N ILE A 28 8.167 -7.883 -5.437 1.00 53.21 N ATOM 445 CA ILE A 28 8.643 -7.564 -4.097 1.00 43.41 C ATOM 446 C ILE A 28 7.501 -7.086 -3.207 1.00 3.42 C ATOM 447 O ILE A 28 6.584 -6.406 -3.668 1.00 75.13 O ATOM 448 CB ILE A 28 9.739 -6.482 -4.132 1.00 62.02 C ATOM 449 CG1 ILE A 28 10.932 -6.960 -4.963 1.00 32.22 C ATOM 450 CG2 ILE A 28 10.179 -6.127 -2.720 1.00 33.45 C ATOM 451 CD1 ILE A 28 12.067 -5.962 -5.020 1.00 24.52 C ATOM 0 H ILE A 28 8.341 -7.156 -6.131 1.00 53.21 H new ATOM 0 HA ILE A 28 9.062 -8.482 -3.684 1.00 43.41 H new ATOM 0 HB ILE A 28 9.329 -5.587 -4.600 1.00 62.02 H new ATOM 0 HG12 ILE A 28 11.303 -7.896 -4.546 1.00 32.22 H new ATOM 0 HG13 ILE A 28 10.596 -7.174 -5.977 1.00 32.22 H new ATOM 0 HG21 ILE A 28 10.954 -5.361 -2.762 1.00 33.45 H new ATOM 0 HG22 ILE A 28 9.325 -5.749 -2.157 1.00 33.45 H new ATOM 0 HG23 ILE A 28 10.574 -7.016 -2.228 1.00 33.45 H new ATOM 0 HD11 ILE A 28 12.878 -6.367 -5.625 1.00 24.52 H new ATOM 0 HD12 ILE A 28 11.712 -5.032 -5.465 1.00 24.52 H new ATOM 0 HD13 ILE A 28 12.430 -5.766 -4.011 1.00 24.52 H new ATOM 463 N CYS A 29 7.565 -7.443 -1.929 1.00 62.42 N ATOM 464 CA CYS A 29 6.537 -7.050 -0.973 1.00 35.23 C ATOM 465 C CYS A 29 7.127 -6.184 0.135 1.00 30.23 C ATOM 466 O CYS A 29 6.525 -5.194 0.550 1.00 21.23 O ATOM 467 CB CYS A 29 5.872 -8.288 -0.369 1.00 74.34 C ATOM 468 SG CYS A 29 5.327 -9.504 -1.592 1.00 42.34 S ATOM 0 H CYS A 29 8.318 -8.004 -1.531 1.00 62.42 H new ATOM 0 HA CYS A 29 5.786 -6.466 -1.505 1.00 35.23 H new ATOM 0 HB2 CYS A 29 6.573 -8.766 0.316 1.00 74.34 H new ATOM 0 HB3 CYS A 29 5.012 -7.973 0.223 1.00 74.34 H new ATOM 0 HG CYS A 29 4.780 -10.515 -0.985 1.00 42.34 H new ATOM 474 N ALA A 30 8.308 -6.565 0.611 1.00 31.21 N ATOM 475 CA ALA A 30 8.980 -5.823 1.671 1.00 71.42 C ATOM 476 C ALA A 30 10.487 -6.055 1.633 1.00 74.42 C ATOM 477 O ALA A 30 10.981 -6.865 0.847 1.00 53.51 O ATOM 478 CB ALA A 30 8.417 -6.217 3.029 1.00 44.33 C ATOM 0 H ALA A 30 8.819 -7.383 0.279 1.00 31.21 H new ATOM 0 HA ALA A 30 8.798 -4.761 1.509 1.00 71.42 H new ATOM 0 HB1 ALA A 30 8.928 -5.656 3.811 1.00 44.33 H new ATOM 0 HB2 ALA A 30 7.351 -5.994 3.059 1.00 44.33 H new ATOM 0 HB3 ALA A 30 8.569 -7.284 3.190 1.00 44.33 H new ATOM 484 N HIS A 31 11.213 -5.340 2.486 1.00 34.12 N ATOM 485 CA HIS A 31 12.664 -5.468 2.550 1.00 61.42 C ATOM 486 C HIS A 31 13.122 -5.752 3.977 1.00 24.51 C ATOM 487 O HIS A 31 12.311 -5.805 4.901 1.00 33.23 O ATOM 488 CB HIS A 31 13.333 -4.195 2.031 1.00 70.21 C ATOM 489 CG HIS A 31 13.283 -3.055 3.000 1.00 2.43 C ATOM 490 ND1 HIS A 31 14.398 -2.332 3.370 1.00 52.21 N ATOM 491 CD2 HIS A 31 12.244 -2.512 3.676 1.00 14.12 C ATOM 492 CE1 HIS A 31 14.046 -1.395 4.233 1.00 63.15 C ATOM 493 NE2 HIS A 31 12.744 -1.483 4.435 1.00 41.40 N ATOM 0 H HIS A 31 10.820 -4.666 3.143 1.00 34.12 H new ATOM 0 HA HIS A 31 12.958 -6.307 1.919 1.00 61.42 H new ATOM 0 HB2 HIS A 31 14.374 -4.413 1.792 1.00 70.21 H new ATOM 0 HB3 HIS A 31 12.849 -3.893 1.102 1.00 70.21 H new ATOM 0 HD2 HIS A 31 11.213 -2.829 3.627 1.00 14.12 H new ATOM 0 HE1 HIS A 31 14.710 -0.679 4.694 1.00 63.15 H new ATOM 0 HE2 HIS A 31 12.198 -0.884 5.054 1.00 41.40 H new ATOM 501 N TYR A 32 14.427 -5.935 4.149 1.00 72.31 N ATOM 502 CA TYR A 32 14.993 -6.217 5.463 1.00 75.32 C ATOM 503 C TYR A 32 16.307 -5.470 5.662 1.00 44.43 C ATOM 504 O TYR A 32 17.358 -5.901 5.186 1.00 52.55 O ATOM 505 CB TYR A 32 15.217 -7.721 5.633 1.00 42.25 C ATOM 506 CG TYR A 32 15.472 -8.137 7.063 1.00 25.25 C ATOM 507 CD1 TYR A 32 14.457 -8.100 8.010 1.00 34.35 C ATOM 508 CD2 TYR A 32 16.730 -8.569 7.468 1.00 11.41 C ATOM 509 CE1 TYR A 32 14.686 -8.479 9.319 1.00 72.00 C ATOM 510 CE2 TYR A 32 16.968 -8.951 8.774 1.00 12.33 C ATOM 511 CZ TYR A 32 15.943 -8.904 9.696 1.00 52.40 C ATOM 512 OH TYR A 32 16.175 -9.283 10.998 1.00 33.12 O ATOM 0 H TYR A 32 15.112 -5.893 3.395 1.00 72.31 H new ATOM 0 HA TYR A 32 14.284 -5.875 6.217 1.00 75.32 H new ATOM 0 HB2 TYR A 32 14.343 -8.255 5.259 1.00 42.25 H new ATOM 0 HB3 TYR A 32 16.064 -8.025 5.018 1.00 42.25 H new ATOM 0 HD1 TYR A 32 13.471 -7.769 7.718 1.00 34.35 H new ATOM 0 HD2 TYR A 32 17.535 -8.607 6.749 1.00 11.41 H new ATOM 0 HE1 TYR A 32 13.885 -8.443 10.043 1.00 72.00 H new ATOM 0 HE2 TYR A 32 17.951 -9.285 9.072 1.00 12.33 H new ATOM 0 HH TYR A 32 17.111 -9.556 11.097 1.00 33.12 H new ATOM 522 N ASP A 33 16.241 -4.347 6.369 1.00 33.21 N ATOM 523 CA ASP A 33 17.425 -3.539 6.634 1.00 42.21 C ATOM 524 C ASP A 33 18.128 -3.163 5.333 1.00 4.04 C ATOM 525 O ASP A 33 19.332 -2.904 5.319 1.00 0.00 O ATOM 526 CB ASP A 33 18.390 -4.294 7.550 1.00 13.40 C ATOM 527 CG ASP A 33 18.071 -4.092 9.018 1.00 33.04 C ATOM 528 OD1 ASP A 33 17.066 -4.664 9.491 1.00 64.02 O ATOM 529 OD2 ASP A 33 18.825 -3.362 9.695 1.00 50.40 O ATOM 0 H ASP A 33 15.379 -3.976 6.769 1.00 33.21 H new ATOM 0 HA ASP A 33 17.106 -2.623 7.132 1.00 42.21 H new ATOM 0 HB2 ASP A 33 18.352 -5.358 7.316 1.00 13.40 H new ATOM 0 HB3 ASP A 33 19.409 -3.961 7.353 1.00 13.40 H new ATOM 534 N TYR A 34 17.370 -3.136 4.243 1.00 30.32 N ATOM 535 CA TYR A 34 17.921 -2.796 2.937 1.00 40.21 C ATOM 536 C TYR A 34 18.961 -3.823 2.500 1.00 72.14 C ATOM 537 O TYR A 34 19.749 -3.575 1.588 1.00 52.51 O ATOM 538 CB TYR A 34 18.549 -1.402 2.973 1.00 40.53 C ATOM 539 CG TYR A 34 17.643 -0.344 3.562 1.00 72.23 C ATOM 540 CD1 TYR A 34 17.622 -0.103 4.930 1.00 53.44 C ATOM 541 CD2 TYR A 34 16.808 0.414 2.750 1.00 62.04 C ATOM 542 CE1 TYR A 34 16.795 0.862 5.472 1.00 74.11 C ATOM 543 CE2 TYR A 34 15.979 1.382 3.283 1.00 31.40 C ATOM 544 CZ TYR A 34 15.975 1.601 4.645 1.00 44.53 C ATOM 545 OH TYR A 34 15.151 2.564 5.181 1.00 42.21 O ATOM 0 H TYR A 34 16.372 -3.346 4.238 1.00 30.32 H new ATOM 0 HA TYR A 34 17.105 -2.802 2.214 1.00 40.21 H new ATOM 0 HB2 TYR A 34 19.471 -1.443 3.553 1.00 40.53 H new ATOM 0 HB3 TYR A 34 18.823 -1.110 1.959 1.00 40.53 H new ATOM 0 HD1 TYR A 34 18.263 -0.680 5.581 1.00 53.44 H new ATOM 0 HD2 TYR A 34 16.807 0.243 1.684 1.00 62.04 H new ATOM 0 HE1 TYR A 34 16.791 1.037 6.538 1.00 74.11 H new ATOM 0 HE2 TYR A 34 15.338 1.964 2.637 1.00 31.40 H new ATOM 0 HH TYR A 34 14.640 2.994 4.464 1.00 42.21 H new ATOM 555 N GLU A 35 18.955 -4.978 3.157 1.00 32.44 N ATOM 556 CA GLU A 35 19.897 -6.044 2.837 1.00 3.11 C ATOM 557 C GLU A 35 19.216 -7.152 2.039 1.00 15.33 C ATOM 558 O GLU A 35 19.710 -7.571 0.993 1.00 73.51 O ATOM 559 CB GLU A 35 20.503 -6.621 4.118 1.00 30.50 C ATOM 560 CG GLU A 35 20.775 -5.577 5.188 1.00 73.04 C ATOM 561 CD GLU A 35 21.713 -4.485 4.712 1.00 64.33 C ATOM 562 OE1 GLU A 35 22.300 -4.640 3.620 1.00 32.33 O ATOM 563 OE2 GLU A 35 21.861 -3.475 5.432 1.00 60.44 O ATOM 0 H GLU A 35 18.308 -5.200 3.914 1.00 32.44 H new ATOM 0 HA GLU A 35 20.693 -5.618 2.227 1.00 3.11 H new ATOM 0 HB2 GLU A 35 19.827 -7.375 4.522 1.00 30.50 H new ATOM 0 HB3 GLU A 35 21.436 -7.128 3.872 1.00 30.50 H new ATOM 0 HG2 GLU A 35 19.832 -5.129 5.502 1.00 73.04 H new ATOM 0 HG3 GLU A 35 21.204 -6.063 6.064 1.00 73.04 H new ATOM 570 N TRP A 36 18.079 -7.620 2.542 1.00 61.43 N ATOM 571 CA TRP A 36 17.329 -8.680 1.877 1.00 62.13 C ATOM 572 C TRP A 36 15.995 -8.158 1.355 1.00 43.23 C ATOM 573 O TRP A 36 15.446 -7.191 1.883 1.00 4.24 O ATOM 574 CB TRP A 36 17.094 -9.846 2.838 1.00 75.54 C ATOM 575 CG TRP A 36 18.360 -10.420 3.397 1.00 30.41 C ATOM 576 CD1 TRP A 36 18.986 -10.052 4.553 1.00 3.43 C ATOM 577 CD2 TRP A 36 19.155 -11.464 2.823 1.00 13.03 C ATOM 578 NE1 TRP A 36 20.123 -10.803 4.733 1.00 74.02 N ATOM 579 CE2 TRP A 36 20.248 -11.677 3.686 1.00 72.32 C ATOM 580 CE3 TRP A 36 19.048 -12.240 1.666 1.00 23.33 C ATOM 581 CZ2 TRP A 36 21.226 -12.633 3.425 1.00 71.21 C ATOM 582 CZ3 TRP A 36 20.020 -13.188 1.409 1.00 60.54 C ATOM 583 CH2 TRP A 36 21.097 -13.379 2.285 1.00 72.02 C ATOM 0 H TRP A 36 17.657 -7.283 3.407 1.00 61.43 H new ATOM 0 HA TRP A 36 17.917 -9.030 1.029 1.00 62.13 H new ATOM 0 HB2 TRP A 36 16.463 -9.508 3.660 1.00 75.54 H new ATOM 0 HB3 TRP A 36 16.546 -10.632 2.317 1.00 75.54 H new ATOM 0 HD1 TRP A 36 18.639 -9.283 5.227 1.00 3.43 H new ATOM 0 HE1 TRP A 36 20.769 -10.722 5.519 1.00 74.02 H new ATOM 0 HE3 TRP A 36 18.221 -12.101 0.985 1.00 23.33 H new ATOM 0 HZ2 TRP A 36 22.057 -12.781 4.099 1.00 71.21 H new ATOM 0 HZ3 TRP A 36 19.948 -13.793 0.517 1.00 60.54 H new ATOM 0 HH2 TRP A 36 21.839 -14.129 2.056 1.00 72.02 H new ATOM 594 N PHE A 37 15.478 -8.803 0.314 1.00 22.24 N ATOM 595 CA PHE A 37 14.208 -8.403 -0.279 1.00 40.44 C ATOM 596 C PHE A 37 13.245 -9.584 -0.353 1.00 22.13 C ATOM 597 O PHE A 37 13.654 -10.716 -0.614 1.00 10.04 O ATOM 598 CB PHE A 37 14.434 -7.827 -1.679 1.00 1.21 C ATOM 599 CG PHE A 37 14.266 -6.336 -1.748 1.00 54.12 C ATOM 600 CD1 PHE A 37 13.080 -5.740 -1.349 1.00 71.32 C ATOM 601 CD2 PHE A 37 15.293 -5.530 -2.212 1.00 30.14 C ATOM 602 CE1 PHE A 37 12.922 -4.369 -1.413 1.00 1.33 C ATOM 603 CE2 PHE A 37 15.141 -4.158 -2.277 1.00 1.20 C ATOM 604 CZ PHE A 37 13.954 -3.576 -1.876 1.00 23.40 C ATOM 0 H PHE A 37 15.919 -9.605 -0.136 1.00 22.24 H new ATOM 0 HA PHE A 37 13.765 -7.636 0.356 1.00 40.44 H new ATOM 0 HB2 PHE A 37 15.439 -8.087 -2.012 1.00 1.21 H new ATOM 0 HB3 PHE A 37 13.736 -8.296 -2.373 1.00 1.21 H new ATOM 0 HD1 PHE A 37 12.270 -6.354 -0.984 1.00 71.32 H new ATOM 0 HD2 PHE A 37 16.223 -5.979 -2.527 1.00 30.14 H new ATOM 0 HE1 PHE A 37 11.992 -3.917 -1.101 1.00 1.33 H new ATOM 0 HE2 PHE A 37 15.949 -3.541 -2.641 1.00 1.20 H new ATOM 0 HZ PHE A 37 13.833 -2.504 -1.924 1.00 23.40 H new ATOM 614 N ILE A 38 11.966 -9.312 -0.120 1.00 73.11 N ATOM 615 CA ILE A 38 10.945 -10.352 -0.160 1.00 53.42 C ATOM 616 C ILE A 38 10.205 -10.344 -1.493 1.00 74.24 C ATOM 617 O ILE A 38 9.253 -9.587 -1.682 1.00 72.54 O ATOM 618 CB ILE A 38 9.925 -10.183 0.981 1.00 34.13 C ATOM 619 CG1 ILE A 38 10.646 -9.916 2.304 1.00 50.51 C ATOM 620 CG2 ILE A 38 9.045 -11.419 1.092 1.00 32.32 C ATOM 621 CD1 ILE A 38 11.605 -11.015 2.702 1.00 20.33 C ATOM 0 H ILE A 38 11.612 -8.381 0.098 1.00 73.11 H new ATOM 0 HA ILE A 38 11.460 -11.305 -0.038 1.00 53.42 H new ATOM 0 HB ILE A 38 9.289 -9.327 0.756 1.00 34.13 H new ATOM 0 HG12 ILE A 38 11.194 -8.977 2.227 1.00 50.51 H new ATOM 0 HG13 ILE A 38 9.905 -9.788 3.093 1.00 50.51 H new ATOM 0 HG21 ILE A 38 8.329 -11.284 1.903 1.00 32.32 H new ATOM 0 HG22 ILE A 38 8.508 -11.569 0.155 1.00 32.32 H new ATOM 0 HG23 ILE A 38 9.666 -12.291 1.297 1.00 32.32 H new ATOM 0 HD11 ILE A 38 12.080 -10.758 3.649 1.00 20.33 H new ATOM 0 HD12 ILE A 38 11.059 -11.952 2.812 1.00 20.33 H new ATOM 0 HD13 ILE A 38 12.368 -11.128 1.932 1.00 20.33 H new ATOM 633 N ALA A 39 10.648 -11.193 -2.415 1.00 31.43 N ATOM 634 CA ALA A 39 10.025 -11.288 -3.729 1.00 43.22 C ATOM 635 C ALA A 39 9.237 -12.585 -3.871 1.00 73.14 C ATOM 636 O ALA A 39 9.546 -13.586 -3.225 1.00 20.22 O ATOM 637 CB ALA A 39 11.080 -11.187 -4.821 1.00 41.32 C ATOM 0 H ALA A 39 11.436 -11.825 -2.276 1.00 31.43 H new ATOM 0 HA ALA A 39 9.327 -10.457 -3.834 1.00 43.22 H new ATOM 0 HB1 ALA A 39 10.601 -11.259 -5.797 1.00 41.32 H new ATOM 0 HB2 ALA A 39 11.597 -10.231 -4.740 1.00 41.32 H new ATOM 0 HB3 ALA A 39 11.799 -11.998 -4.708 1.00 41.32 H new ATOM 643 N LYS A 40 8.215 -12.561 -4.721 1.00 64.21 N ATOM 644 CA LYS A 40 7.382 -13.735 -4.949 1.00 74.42 C ATOM 645 C LYS A 40 7.329 -14.085 -6.433 1.00 22.41 C ATOM 646 O LYS A 40 7.601 -13.256 -7.301 1.00 55.31 O ATOM 647 CB LYS A 40 5.966 -13.491 -4.422 1.00 30.44 C ATOM 648 CG LYS A 40 5.813 -13.773 -2.937 1.00 22.31 C ATOM 649 CD LYS A 40 4.611 -13.050 -2.353 1.00 5.13 C ATOM 650 CE LYS A 40 3.359 -13.910 -2.414 1.00 72.52 C ATOM 651 NZ LYS A 40 2.157 -13.176 -1.930 1.00 61.20 N ATOM 0 H LYS A 40 7.944 -11.741 -5.263 1.00 64.21 H new ATOM 0 HA LYS A 40 7.825 -14.573 -4.411 1.00 74.42 H new ATOM 0 HB2 LYS A 40 5.688 -12.455 -4.617 1.00 30.44 H new ATOM 0 HB3 LYS A 40 5.268 -14.118 -4.976 1.00 30.44 H new ATOM 0 HG2 LYS A 40 5.705 -14.846 -2.779 1.00 22.31 H new ATOM 0 HG3 LYS A 40 6.716 -13.462 -2.412 1.00 22.31 H new ATOM 0 HD2 LYS A 40 4.817 -12.778 -1.318 1.00 5.13 H new ATOM 0 HD3 LYS A 40 4.443 -12.122 -2.899 1.00 5.13 H new ATOM 0 HE2 LYS A 40 3.195 -14.239 -3.440 1.00 72.52 H new ATOM 0 HE3 LYS A 40 3.504 -14.806 -1.811 1.00 72.52 H new ATOM 0 HZ1 LYS A 40 1.325 -13.797 -1.988 1.00 61.20 H new ATOM 0 HZ2 LYS A 40 2.303 -12.883 -0.943 1.00 61.20 H new ATOM 0 HZ3 LYS A 40 2.003 -12.334 -2.521 1.00 61.20 H new ATOM 665 N PRO A 41 6.971 -15.343 -6.733 1.00 13.31 N ATOM 666 CA PRO A 41 6.872 -15.830 -8.112 1.00 23.11 C ATOM 667 C PRO A 41 5.698 -15.212 -8.863 1.00 11.02 C ATOM 668 O PRO A 41 4.613 -15.043 -8.306 1.00 11.14 O ATOM 669 CB PRO A 41 6.664 -17.337 -7.941 1.00 65.14 C ATOM 670 CG PRO A 41 6.050 -17.484 -6.592 1.00 74.55 C ATOM 671 CD PRO A 41 6.633 -16.385 -5.749 1.00 4.00 C ATOM 0 HA PRO A 41 7.752 -15.571 -8.700 1.00 23.11 H new ATOM 0 HB2 PRO A 41 6.013 -17.737 -8.718 1.00 65.14 H new ATOM 0 HB3 PRO A 41 7.609 -17.877 -8.007 1.00 65.14 H new ATOM 0 HG2 PRO A 41 4.965 -17.400 -6.646 1.00 74.55 H new ATOM 0 HG3 PRO A 41 6.273 -18.462 -6.166 1.00 74.55 H new ATOM 0 HD2 PRO A 41 5.918 -16.023 -5.010 1.00 4.00 H new ATOM 0 HD3 PRO A 41 7.514 -16.722 -5.202 1.00 4.00 H new ATOM 679 N ILE A 42 5.922 -14.877 -10.129 1.00 75.31 N ATOM 680 CA ILE A 42 4.881 -14.280 -10.956 1.00 14.51 C ATOM 681 C ILE A 42 4.261 -15.312 -11.891 1.00 73.13 C ATOM 682 O ILE A 42 3.126 -15.155 -12.341 1.00 25.31 O ATOM 683 CB ILE A 42 5.429 -13.109 -11.793 1.00 65.11 C ATOM 684 CG1 ILE A 42 6.154 -12.106 -10.894 1.00 5.05 C ATOM 685 CG2 ILE A 42 4.302 -12.428 -12.554 1.00 40.12 C ATOM 686 CD1 ILE A 42 6.737 -10.930 -11.646 1.00 72.23 C ATOM 0 H ILE A 42 6.815 -15.009 -10.604 1.00 75.31 H new ATOM 0 HA ILE A 42 4.116 -13.904 -10.277 1.00 14.51 H new ATOM 0 HB ILE A 42 6.143 -13.502 -12.516 1.00 65.11 H new ATOM 0 HG12 ILE A 42 5.458 -11.736 -10.141 1.00 5.05 H new ATOM 0 HG13 ILE A 42 6.955 -12.620 -10.362 1.00 5.05 H new ATOM 0 HG21 ILE A 42 4.706 -11.603 -13.141 1.00 40.12 H new ATOM 0 HG22 ILE A 42 3.826 -13.148 -13.220 1.00 40.12 H new ATOM 0 HG23 ILE A 42 3.566 -12.045 -11.848 1.00 40.12 H new ATOM 0 HD11 ILE A 42 7.236 -10.261 -10.945 1.00 72.23 H new ATOM 0 HD12 ILE A 42 7.458 -11.289 -12.380 1.00 72.23 H new ATOM 0 HD13 ILE A 42 5.938 -10.392 -12.155 1.00 72.23 H new ATOM 769 N PRO A 47 6.221 -17.105 -1.583 1.00 64.54 N ATOM 770 CA PRO A 47 7.092 -16.093 -0.978 1.00 61.32 C ATOM 771 C PRO A 47 8.281 -16.711 -0.251 1.00 22.42 C ATOM 772 O PRO A 47 8.113 -17.444 0.723 1.00 0.12 O ATOM 773 CB PRO A 47 6.170 -15.380 0.014 1.00 43.20 C ATOM 774 CG PRO A 47 5.122 -16.385 0.348 1.00 45.14 C ATOM 775 CD PRO A 47 4.922 -17.203 -0.898 1.00 54.21 C ATOM 0 HA PRO A 47 7.529 -15.432 -1.726 1.00 61.32 H new ATOM 0 HB2 PRO A 47 6.714 -15.065 0.904 1.00 43.20 H new ATOM 0 HB3 PRO A 47 5.733 -14.484 -0.426 1.00 43.20 H new ATOM 0 HG2 PRO A 47 5.435 -17.014 1.182 1.00 45.14 H new ATOM 0 HG3 PRO A 47 4.195 -15.897 0.648 1.00 45.14 H new ATOM 0 HD2 PRO A 47 4.668 -18.237 -0.663 1.00 54.21 H new ATOM 0 HD3 PRO A 47 4.113 -16.808 -1.512 1.00 54.21 H new ATOM 783 N GLY A 48 9.484 -16.411 -0.731 1.00 3.34 N ATOM 784 CA GLY A 48 10.684 -16.945 -0.113 1.00 71.32 C ATOM 785 C GLY A 48 11.573 -15.860 0.462 1.00 71.35 C ATOM 786 O GLY A 48 11.213 -15.206 1.441 1.00 55.11 O ATOM 0 H GLY A 48 9.649 -15.808 -1.537 1.00 3.34 H new ATOM 0 HA2 GLY A 48 10.403 -17.638 0.680 1.00 71.32 H new ATOM 0 HA3 GLY A 48 11.246 -17.517 -0.852 1.00 71.32 H new ATOM 790 N LEU A 49 12.738 -15.669 -0.146 1.00 65.24 N ATOM 791 CA LEU A 49 13.683 -14.657 0.312 1.00 44.52 C ATOM 792 C LEU A 49 14.844 -14.512 -0.667 1.00 60.13 C ATOM 793 O LEU A 49 15.526 -15.486 -0.986 1.00 23.12 O ATOM 794 CB LEU A 49 14.214 -15.017 1.700 1.00 23.33 C ATOM 795 CG LEU A 49 14.458 -13.845 2.651 1.00 14.13 C ATOM 796 CD1 LEU A 49 14.060 -14.218 4.071 1.00 3.11 C ATOM 797 CD2 LEU A 49 15.915 -13.410 2.600 1.00 20.21 C ATOM 0 H LEU A 49 13.051 -16.202 -0.958 1.00 65.24 H new ATOM 0 HA LEU A 49 13.157 -13.704 0.367 1.00 44.52 H new ATOM 0 HB2 LEU A 49 13.507 -15.700 2.171 1.00 23.33 H new ATOM 0 HB3 LEU A 49 15.151 -15.561 1.579 1.00 23.33 H new ATOM 0 HG LEU A 49 13.839 -13.007 2.330 1.00 14.13 H new ATOM 0 HD11 LEU A 49 14.241 -13.372 4.734 1.00 3.11 H new ATOM 0 HD12 LEU A 49 13.002 -14.479 4.096 1.00 3.11 H new ATOM 0 HD13 LEU A 49 14.652 -15.071 4.403 1.00 3.11 H new ATOM 0 HD21 LEU A 49 16.070 -12.575 3.283 1.00 20.21 H new ATOM 0 HD22 LEU A 49 16.554 -14.243 2.894 1.00 20.21 H new ATOM 0 HD23 LEU A 49 16.167 -13.100 1.586 1.00 20.21 H new ATOM 809 N VAL A 50 15.064 -13.289 -1.140 1.00 60.41 N ATOM 810 CA VAL A 50 16.144 -13.016 -2.080 1.00 64.23 C ATOM 811 C VAL A 50 16.840 -11.700 -1.751 1.00 54.12 C ATOM 812 O VAL A 50 16.201 -10.674 -1.514 1.00 62.22 O ATOM 813 CB VAL A 50 15.627 -12.962 -3.530 1.00 34.21 C ATOM 814 CG1 VAL A 50 14.556 -11.891 -3.675 1.00 64.23 C ATOM 815 CG2 VAL A 50 16.775 -12.715 -4.496 1.00 51.35 C ATOM 0 H VAL A 50 14.508 -12.472 -0.887 1.00 60.41 H new ATOM 0 HA VAL A 50 16.858 -13.834 -1.987 1.00 64.23 H new ATOM 0 HB VAL A 50 15.179 -13.925 -3.774 1.00 34.21 H new ATOM 0 HG11 VAL A 50 14.202 -11.867 -4.706 1.00 64.23 H new ATOM 0 HG12 VAL A 50 13.722 -12.118 -3.011 1.00 64.23 H new ATOM 0 HG13 VAL A 50 14.975 -10.920 -3.413 1.00 64.23 H new ATOM 0 HG21 VAL A 50 16.391 -12.680 -5.516 1.00 51.35 H new ATOM 0 HG22 VAL A 50 17.255 -11.766 -4.256 1.00 51.35 H new ATOM 0 HG23 VAL A 50 17.503 -13.522 -4.410 1.00 51.35 H new ATOM 825 N PRO A 51 18.181 -11.727 -1.736 1.00 54.31 N ATOM 826 CA PRO A 51 18.993 -10.543 -1.438 1.00 73.23 C ATOM 827 C PRO A 51 18.928 -9.501 -2.550 1.00 24.41 C ATOM 828 O PRO A 51 18.565 -9.811 -3.685 1.00 32.14 O ATOM 829 CB PRO A 51 20.410 -11.107 -1.316 1.00 23.54 C ATOM 830 CG PRO A 51 20.395 -12.351 -2.136 1.00 45.33 C ATOM 831 CD PRO A 51 19.007 -12.914 -2.009 1.00 62.41 C ATOM 0 HA PRO A 51 18.647 -10.026 -0.543 1.00 73.23 H new ATOM 0 HB2 PRO A 51 21.151 -10.398 -1.685 1.00 23.54 H new ATOM 0 HB3 PRO A 51 20.663 -11.321 -0.277 1.00 23.54 H new ATOM 0 HG2 PRO A 51 20.635 -12.135 -3.177 1.00 45.33 H new ATOM 0 HG3 PRO A 51 21.139 -13.063 -1.779 1.00 45.33 H new ATOM 0 HD2 PRO A 51 18.694 -13.420 -2.922 1.00 62.41 H new ATOM 0 HD3 PRO A 51 18.942 -13.643 -1.202 1.00 62.41 H new ATOM 839 N VAL A 52 19.284 -8.265 -2.217 1.00 2.41 N ATOM 840 CA VAL A 52 19.268 -7.177 -3.188 1.00 24.02 C ATOM 841 C VAL A 52 20.403 -7.323 -4.195 1.00 64.02 C ATOM 842 O VAL A 52 20.352 -6.762 -5.290 1.00 32.14 O ATOM 843 CB VAL A 52 19.384 -5.806 -2.496 1.00 52.43 C ATOM 844 CG1 VAL A 52 19.046 -4.686 -3.470 1.00 24.54 C ATOM 845 CG2 VAL A 52 18.482 -5.749 -1.273 1.00 11.15 C ATOM 0 H VAL A 52 19.587 -7.992 -1.282 1.00 2.41 H new ATOM 0 HA VAL A 52 18.313 -7.233 -3.710 1.00 24.02 H new ATOM 0 HB VAL A 52 20.414 -5.671 -2.166 1.00 52.43 H new ATOM 0 HG11 VAL A 52 19.133 -3.725 -2.964 1.00 24.54 H new ATOM 0 HG12 VAL A 52 19.736 -4.716 -4.313 1.00 24.54 H new ATOM 0 HG13 VAL A 52 18.026 -4.814 -3.832 1.00 24.54 H new ATOM 0 HG21 VAL A 52 18.577 -4.773 -0.796 1.00 11.15 H new ATOM 0 HG22 VAL A 52 17.447 -5.906 -1.577 1.00 11.15 H new ATOM 0 HG23 VAL A 52 18.775 -6.527 -0.568 1.00 11.15 H new ATOM 855 N SER A 53 21.428 -8.081 -3.818 1.00 42.10 N ATOM 856 CA SER A 53 22.579 -8.299 -4.687 1.00 55.33 C ATOM 857 C SER A 53 22.266 -9.349 -5.749 1.00 23.34 C ATOM 858 O SER A 53 23.111 -9.675 -6.583 1.00 21.20 O ATOM 859 CB SER A 53 23.792 -8.734 -3.863 1.00 72.44 C ATOM 860 OG SER A 53 23.976 -7.889 -2.741 1.00 20.52 O ATOM 0 H SER A 53 21.485 -8.555 -2.916 1.00 42.10 H new ATOM 0 HA SER A 53 22.809 -7.359 -5.188 1.00 55.33 H new ATOM 0 HB2 SER A 53 23.659 -9.763 -3.529 1.00 72.44 H new ATOM 0 HB3 SER A 53 24.685 -8.715 -4.487 1.00 72.44 H new ATOM 0 HG SER A 53 24.717 -8.226 -2.195 1.00 20.52 H new ATOM 866 N TYR A 54 21.047 -9.876 -5.710 1.00 44.30 N ATOM 867 CA TYR A 54 20.623 -10.891 -6.666 1.00 71.41 C ATOM 868 C TYR A 54 19.313 -10.493 -7.339 1.00 0.40 C ATOM 869 O TYR A 54 18.625 -11.326 -7.929 1.00 25.21 O ATOM 870 CB TYR A 54 20.460 -12.243 -5.968 1.00 12.51 C ATOM 871 CG TYR A 54 21.769 -12.956 -5.716 1.00 10.22 C ATOM 872 CD1 TYR A 54 22.621 -12.547 -4.698 1.00 0.45 C ATOM 873 CD2 TYR A 54 22.153 -14.040 -6.496 1.00 3.24 C ATOM 874 CE1 TYR A 54 23.818 -13.195 -4.464 1.00 44.13 C ATOM 875 CE2 TYR A 54 23.348 -14.695 -6.269 1.00 22.14 C ATOM 876 CZ TYR A 54 24.177 -14.269 -5.252 1.00 44.43 C ATOM 877 OH TYR A 54 25.369 -14.918 -5.022 1.00 54.02 O ATOM 0 H TYR A 54 20.336 -9.617 -5.027 1.00 44.30 H new ATOM 0 HA TYR A 54 21.393 -10.975 -7.433 1.00 71.41 H new ATOM 0 HB2 TYR A 54 19.949 -12.092 -5.017 1.00 12.51 H new ATOM 0 HB3 TYR A 54 19.819 -12.882 -6.576 1.00 12.51 H new ATOM 0 HD1 TYR A 54 22.342 -11.707 -4.078 1.00 0.45 H new ATOM 0 HD2 TYR A 54 21.506 -14.376 -7.293 1.00 3.24 H new ATOM 0 HE1 TYR A 54 24.469 -12.863 -3.669 1.00 44.13 H new ATOM 0 HE2 TYR A 54 23.632 -15.536 -6.884 1.00 22.14 H new ATOM 0 HH TYR A 54 25.471 -15.652 -5.663 1.00 54.02 H new ATOM 887 N VAL A 55 18.974 -9.211 -7.246 1.00 50.33 N ATOM 888 CA VAL A 55 17.748 -8.699 -7.847 1.00 0.32 C ATOM 889 C VAL A 55 17.892 -7.228 -8.220 1.00 53.43 C ATOM 890 O VAL A 55 18.775 -6.533 -7.718 1.00 12.52 O ATOM 891 CB VAL A 55 16.547 -8.861 -6.896 1.00 1.30 C ATOM 892 CG1 VAL A 55 16.188 -10.330 -6.735 1.00 12.12 C ATOM 893 CG2 VAL A 55 16.847 -8.226 -5.547 1.00 1.54 C ATOM 0 H VAL A 55 19.531 -8.508 -6.760 1.00 50.33 H new ATOM 0 HA VAL A 55 17.569 -9.284 -8.749 1.00 0.32 H new ATOM 0 HB VAL A 55 15.689 -8.348 -7.331 1.00 1.30 H new ATOM 0 HG11 VAL A 55 15.338 -10.425 -6.060 1.00 12.12 H new ATOM 0 HG12 VAL A 55 15.928 -10.750 -7.707 1.00 12.12 H new ATOM 0 HG13 VAL A 55 17.040 -10.870 -6.323 1.00 12.12 H new ATOM 0 HG21 VAL A 55 15.988 -8.350 -4.888 1.00 1.54 H new ATOM 0 HG22 VAL A 55 17.718 -8.709 -5.103 1.00 1.54 H new ATOM 0 HG23 VAL A 55 17.051 -7.164 -5.682 1.00 1.54 H new ATOM 903 N ARG A 56 17.017 -6.759 -9.105 1.00 24.31 N ATOM 904 CA ARG A 56 17.047 -5.370 -9.547 1.00 21.33 C ATOM 905 C ARG A 56 15.668 -4.730 -9.420 1.00 11.21 C ATOM 906 O ARG A 56 14.666 -5.301 -9.851 1.00 13.04 O ATOM 907 CB ARG A 56 17.530 -5.284 -10.996 1.00 0.13 C ATOM 908 CG ARG A 56 17.336 -3.912 -11.622 1.00 23.45 C ATOM 909 CD ARG A 56 17.740 -3.907 -13.088 1.00 2.04 C ATOM 910 NE ARG A 56 19.089 -4.430 -13.286 1.00 4.24 N ATOM 911 CZ ARG A 56 20.190 -3.782 -12.919 1.00 53.14 C ATOM 912 NH1 ARG A 56 20.101 -2.593 -12.339 1.00 32.22 N ATOM 913 NH2 ARG A 56 21.382 -4.323 -13.133 1.00 61.32 N ATOM 0 H ARG A 56 16.279 -7.321 -9.530 1.00 24.31 H new ATOM 0 HA ARG A 56 17.742 -4.826 -8.907 1.00 21.33 H new ATOM 0 HB2 ARG A 56 18.588 -5.545 -11.034 1.00 0.13 H new ATOM 0 HB3 ARG A 56 16.997 -6.025 -11.592 1.00 0.13 H new ATOM 0 HG2 ARG A 56 16.292 -3.613 -11.530 1.00 23.45 H new ATOM 0 HG3 ARG A 56 17.927 -3.176 -11.078 1.00 23.45 H new ATOM 0 HD2 ARG A 56 17.032 -4.505 -13.661 1.00 2.04 H new ATOM 0 HD3 ARG A 56 17.685 -2.890 -13.476 1.00 2.04 H new ATOM 0 HE ARG A 56 19.192 -5.342 -13.730 1.00 4.24 H new ATOM 0 HH11 ARG A 56 19.186 -2.174 -12.173 1.00 32.22 H new ATOM 0 HH12 ARG A 56 20.947 -2.098 -12.058 1.00 32.22 H new ATOM 0 HH21 ARG A 56 21.454 -5.237 -13.580 1.00 61.32 H new ATOM 0 HH22 ARG A 56 22.226 -3.825 -12.851 1.00 61.32 H new ATOM 927 N ILE A 57 15.625 -3.542 -8.826 1.00 43.12 N ATOM 928 CA ILE A 57 14.370 -2.824 -8.643 1.00 72.45 C ATOM 929 C ILE A 57 13.960 -2.099 -9.921 1.00 21.21 C ATOM 930 O ILE A 57 14.577 -1.106 -10.308 1.00 13.04 O ATOM 931 CB ILE A 57 14.467 -1.803 -7.495 1.00 43.43 C ATOM 932 CG1 ILE A 57 15.030 -2.468 -6.238 1.00 34.15 C ATOM 933 CG2 ILE A 57 13.103 -1.191 -7.213 1.00 31.51 C ATOM 934 CD1 ILE A 57 14.148 -3.568 -5.690 1.00 75.43 C ATOM 0 H ILE A 57 16.445 -3.056 -8.463 1.00 43.12 H new ATOM 0 HA ILE A 57 13.614 -3.569 -8.392 1.00 72.45 H new ATOM 0 HB ILE A 57 15.146 -1.005 -7.795 1.00 43.43 H new ATOM 0 HG12 ILE A 57 16.013 -2.881 -6.464 1.00 34.15 H new ATOM 0 HG13 ILE A 57 15.172 -1.710 -5.468 1.00 34.15 H new ATOM 0 HG21 ILE A 57 13.188 -0.471 -6.399 1.00 31.51 H new ATOM 0 HG22 ILE A 57 12.739 -0.686 -8.107 1.00 31.51 H new ATOM 0 HG23 ILE A 57 12.403 -1.977 -6.930 1.00 31.51 H new ATOM 0 HD11 ILE A 57 14.609 -3.994 -4.799 1.00 75.43 H new ATOM 0 HD12 ILE A 57 13.172 -3.157 -5.432 1.00 75.43 H new ATOM 0 HD13 ILE A 57 14.026 -4.346 -6.444 1.00 75.43 H new ATOM 946 N ILE A 58 12.915 -2.601 -10.571 1.00 25.35 N ATOM 947 CA ILE A 58 12.422 -1.999 -11.803 1.00 35.52 C ATOM 948 C ILE A 58 10.929 -1.699 -11.708 1.00 64.54 C ATOM 949 O ILE A 58 10.160 -2.490 -11.161 1.00 3.43 O ATOM 950 CB ILE A 58 12.674 -2.913 -13.016 1.00 62.43 C ATOM 951 CG1 ILE A 58 12.140 -4.321 -12.742 1.00 43.13 C ATOM 952 CG2 ILE A 58 14.159 -2.959 -13.345 1.00 51.11 C ATOM 953 CD1 ILE A 58 11.663 -5.039 -13.985 1.00 41.33 C ATOM 0 H ILE A 58 12.394 -3.423 -10.265 1.00 25.35 H new ATOM 0 HA ILE A 58 12.970 -1.067 -11.941 1.00 35.52 H new ATOM 0 HB ILE A 58 12.143 -2.505 -13.876 1.00 62.43 H new ATOM 0 HG12 ILE A 58 12.924 -4.912 -12.269 1.00 43.13 H new ATOM 0 HG13 ILE A 58 11.316 -4.256 -12.031 1.00 43.13 H new ATOM 0 HG21 ILE A 58 14.321 -3.609 -14.205 1.00 51.11 H new ATOM 0 HG22 ILE A 58 14.511 -1.954 -13.578 1.00 51.11 H new ATOM 0 HG23 ILE A 58 14.710 -3.347 -12.488 1.00 51.11 H new ATOM 0 HD11 ILE A 58 11.298 -6.030 -13.715 1.00 41.33 H new ATOM 0 HD12 ILE A 58 10.857 -4.469 -14.448 1.00 41.33 H new ATOM 0 HD13 ILE A 58 12.489 -5.136 -14.689 1.00 41.33 H new ATOM 965 N ASP A 59 10.527 -0.554 -12.247 1.00 52.03 N ATOM 966 CA ASP A 59 9.126 -0.150 -12.227 1.00 33.21 C ATOM 967 C ASP A 59 8.322 -0.924 -13.268 1.00 10.35 C ATOM 968 O ASP A 59 8.696 -0.981 -14.440 1.00 23.24 O ATOM 969 CB ASP A 59 9.002 1.353 -12.483 1.00 21.32 C ATOM 970 CG ASP A 59 9.161 2.171 -11.216 1.00 60.43 C ATOM 971 OD1 ASP A 59 9.766 1.658 -10.252 1.00 12.24 O ATOM 972 OD2 ASP A 59 8.680 3.323 -11.189 1.00 71.05 O ATOM 0 H ASP A 59 11.151 0.111 -12.703 1.00 52.03 H new ATOM 0 HA ASP A 59 8.723 -0.377 -11.240 1.00 33.21 H new ATOM 0 HB2 ASP A 59 9.757 1.659 -13.207 1.00 21.32 H new ATOM 0 HB3 ASP A 59 8.030 1.564 -12.929 1.00 21.32 H new ATOM 977 N LEU A 60 7.217 -1.518 -12.832 1.00 33.02 N ATOM 978 CA LEU A 60 6.360 -2.290 -13.725 1.00 52.33 C ATOM 979 C LEU A 60 5.822 -1.415 -14.853 1.00 73.34 C ATOM 980 O LEU A 60 5.654 -1.875 -15.982 1.00 63.44 O ATOM 981 CB LEU A 60 5.198 -2.906 -12.944 1.00 2.12 C ATOM 982 CG LEU A 60 5.044 -4.423 -13.056 1.00 31.14 C ATOM 983 CD1 LEU A 60 3.773 -4.883 -12.358 1.00 62.32 C ATOM 984 CD2 LEU A 60 5.039 -4.852 -14.516 1.00 34.45 C ATOM 0 H LEU A 60 6.893 -1.480 -11.866 1.00 33.02 H new ATOM 0 HA LEU A 60 6.959 -3.089 -14.162 1.00 52.33 H new ATOM 0 HB2 LEU A 60 5.318 -2.650 -11.891 1.00 2.12 H new ATOM 0 HB3 LEU A 60 4.272 -2.441 -13.282 1.00 2.12 H new ATOM 0 HG LEU A 60 5.895 -4.893 -12.563 1.00 31.14 H new ATOM 0 HD11 LEU A 60 3.680 -5.965 -12.448 1.00 62.32 H new ATOM 0 HD12 LEU A 60 3.817 -4.609 -11.304 1.00 62.32 H new ATOM 0 HD13 LEU A 60 2.910 -4.405 -12.821 1.00 62.32 H new ATOM 0 HD21 LEU A 60 4.929 -5.935 -14.577 1.00 34.45 H new ATOM 0 HD22 LEU A 60 4.208 -4.373 -15.033 1.00 34.45 H new ATOM 0 HD23 LEU A 60 5.977 -4.556 -14.985 1.00 34.45 H new ATOM 996 N MET A 61 5.555 -0.152 -14.540 1.00 14.23 N ATOM 997 CA MET A 61 5.039 0.788 -15.528 1.00 73.04 C ATOM 998 C MET A 61 6.174 1.393 -16.348 1.00 23.30 C ATOM 999 O MET A 61 5.940 2.190 -17.256 1.00 43.31 O ATOM 1000 CB MET A 61 4.243 1.899 -14.841 1.00 33.12 C ATOM 1001 CG MET A 61 3.155 1.382 -13.913 1.00 41.21 C ATOM 1002 SD MET A 61 1.838 0.525 -14.797 1.00 30.32 S ATOM 1003 CE MET A 61 1.852 -1.063 -13.968 1.00 30.02 C ATOM 0 H MET A 61 5.687 0.245 -13.610 1.00 14.23 H new ATOM 0 HA MET A 61 4.379 0.241 -16.201 1.00 73.04 H new ATOM 0 HB2 MET A 61 4.928 2.526 -14.271 1.00 33.12 H new ATOM 0 HB3 MET A 61 3.789 2.533 -15.602 1.00 33.12 H new ATOM 0 HG2 MET A 61 3.597 0.705 -13.182 1.00 41.21 H new ATOM 0 HG3 MET A 61 2.730 2.217 -13.357 1.00 41.21 H new ATOM 0 HE1 MET A 61 0.846 -1.482 -13.967 1.00 30.02 H new ATOM 0 HE2 MET A 61 2.526 -1.741 -14.491 1.00 30.02 H new ATOM 0 HE3 MET A 61 2.193 -0.934 -12.941 1.00 30.02 H new ATOM 1013 N ASP A 62 7.403 1.008 -16.021 1.00 42.44 N ATOM 1014 CA ASP A 62 8.575 1.512 -16.728 1.00 41.42 C ATOM 1015 C ASP A 62 9.853 0.892 -16.173 1.00 21.41 C ATOM 1016 O ASP A 62 10.543 1.474 -15.336 1.00 12.40 O ATOM 1017 CB ASP A 62 8.645 3.036 -16.621 1.00 43.51 C ATOM 1018 CG ASP A 62 9.099 3.687 -17.913 1.00 4.32 C ATOM 1019 OD1 ASP A 62 9.851 3.039 -18.671 1.00 12.41 O ATOM 1020 OD2 ASP A 62 8.704 4.845 -18.165 1.00 62.02 O ATOM 0 H ASP A 62 7.613 0.349 -15.271 1.00 42.44 H new ATOM 0 HA ASP A 62 8.483 1.233 -17.778 1.00 41.42 H new ATOM 0 HB2 ASP A 62 7.664 3.424 -16.348 1.00 43.51 H new ATOM 0 HB3 ASP A 62 9.331 3.310 -15.819 1.00 43.51 H new ATOM 1025 N PRO A 63 10.178 -0.320 -16.648 1.00 35.22 N ATOM 1026 CA PRO A 63 11.374 -1.047 -16.212 1.00 51.23 C ATOM 1027 C PRO A 63 12.660 -0.398 -16.713 1.00 21.54 C ATOM 1028 O PRO A 63 13.758 -0.793 -16.321 1.00 41.12 O ATOM 1029 CB PRO A 63 11.195 -2.432 -16.838 1.00 71.31 C ATOM 1030 CG PRO A 63 10.321 -2.203 -18.023 1.00 3.31 C ATOM 1031 CD PRO A 63 9.402 -1.074 -17.647 1.00 34.12 C ATOM 0 HA PRO A 63 11.468 -1.064 -15.126 1.00 51.23 H new ATOM 0 HB2 PRO A 63 12.153 -2.861 -17.130 1.00 71.31 H new ATOM 0 HB3 PRO A 63 10.735 -3.127 -16.136 1.00 71.31 H new ATOM 0 HG2 PRO A 63 10.914 -1.948 -18.902 1.00 3.31 H new ATOM 0 HG3 PRO A 63 9.755 -3.101 -18.270 1.00 3.31 H new ATOM 0 HD2 PRO A 63 9.150 -0.457 -18.509 1.00 34.12 H new ATOM 0 HD3 PRO A 63 8.463 -1.441 -17.233 1.00 34.12 H new ATOM 1039 N ALA A 64 12.516 0.598 -17.580 1.00 4.54 N ATOM 1040 CA ALA A 64 13.667 1.303 -18.131 1.00 40.02 C ATOM 1041 C ALA A 64 14.010 2.532 -17.297 1.00 11.34 C ATOM 1042 O ALA A 64 15.041 3.172 -17.508 1.00 33.40 O ATOM 1043 CB ALA A 64 13.400 1.701 -19.575 1.00 73.12 C ATOM 0 H ALA A 64 11.614 0.935 -17.916 1.00 4.54 H new ATOM 0 HA ALA A 64 14.522 0.628 -18.103 1.00 40.02 H new ATOM 0 HB1 ALA A 64 14.268 2.227 -19.974 1.00 73.12 H new ATOM 0 HB2 ALA A 64 13.212 0.807 -20.170 1.00 73.12 H new ATOM 0 HB3 ALA A 64 12.529 2.355 -19.617 1.00 73.12 H new ATOM 1049 N LYS A 65 13.139 2.859 -16.348 1.00 22.05 N ATOM 1050 CA LYS A 65 13.349 4.012 -15.480 1.00 22.33 C ATOM 1051 C LYS A 65 14.292 3.664 -14.332 1.00 41.12 C ATOM 1052 O LYS A 65 15.229 4.407 -14.039 1.00 41.22 O ATOM 1053 CB LYS A 65 12.013 4.507 -14.923 1.00 55.32 C ATOM 1054 CG LYS A 65 11.302 5.492 -15.835 1.00 52.32 C ATOM 1055 CD LYS A 65 10.817 6.712 -15.069 1.00 62.21 C ATOM 1056 CE LYS A 65 11.977 7.598 -14.641 1.00 32.14 C ATOM 1057 NZ LYS A 65 11.615 9.042 -14.679 1.00 31.15 N ATOM 0 H LYS A 65 12.280 2.341 -16.160 1.00 22.05 H new ATOM 0 HA LYS A 65 13.804 4.804 -16.074 1.00 22.33 H new ATOM 0 HB2 LYS A 65 11.362 3.651 -14.749 1.00 55.32 H new ATOM 0 HB3 LYS A 65 12.185 4.979 -13.956 1.00 55.32 H new ATOM 0 HG2 LYS A 65 11.978 5.806 -16.630 1.00 52.32 H new ATOM 0 HG3 LYS A 65 10.454 5.000 -16.312 1.00 52.32 H new ATOM 0 HD2 LYS A 65 10.131 7.285 -15.692 1.00 62.21 H new ATOM 0 HD3 LYS A 65 10.258 6.392 -14.190 1.00 62.21 H new ATOM 0 HE2 LYS A 65 12.287 7.328 -13.632 1.00 32.14 H new ATOM 0 HE3 LYS A 65 12.831 7.420 -15.295 1.00 32.14 H new ATOM 0 HZ1 LYS A 65 12.432 9.613 -14.381 1.00 31.15 H new ATOM 0 HZ2 LYS A 65 11.343 9.306 -15.647 1.00 31.15 H new ATOM 0 HZ3 LYS A 65 10.817 9.217 -14.036 1.00 31.15 H new ATOM 1071 N TYR A 66 14.039 2.531 -13.687 1.00 61.34 N ATOM 1072 CA TYR A 66 14.865 2.086 -12.571 1.00 61.53 C ATOM 1073 C TYR A 66 15.801 0.960 -13.001 1.00 73.31 C ATOM 1074 O TYR A 66 16.256 0.167 -12.177 1.00 53.11 O ATOM 1075 CB TYR A 66 13.984 1.617 -11.412 1.00 73.24 C ATOM 1076 CG TYR A 66 13.198 2.732 -10.760 1.00 23.24 C ATOM 1077 CD1 TYR A 66 12.190 3.394 -11.450 1.00 30.25 C ATOM 1078 CD2 TYR A 66 13.465 3.124 -9.454 1.00 32.03 C ATOM 1079 CE1 TYR A 66 11.470 4.414 -10.858 1.00 21.44 C ATOM 1080 CE2 TYR A 66 12.749 4.142 -8.853 1.00 61.43 C ATOM 1081 CZ TYR A 66 11.753 4.783 -9.559 1.00 40.43 C ATOM 1082 OH TYR A 66 11.039 5.799 -8.965 1.00 72.52 O ATOM 0 H TYR A 66 13.268 1.904 -13.918 1.00 61.34 H new ATOM 0 HA TYR A 66 15.470 2.931 -12.240 1.00 61.53 H new ATOM 0 HB2 TYR A 66 13.290 0.860 -11.777 1.00 73.24 H new ATOM 0 HB3 TYR A 66 14.611 1.138 -10.660 1.00 73.24 H new ATOM 0 HD1 TYR A 66 11.965 3.106 -12.466 1.00 30.25 H new ATOM 0 HD2 TYR A 66 14.245 2.625 -8.899 1.00 32.03 H new ATOM 0 HE1 TYR A 66 10.690 4.919 -11.409 1.00 21.44 H new ATOM 0 HE2 TYR A 66 12.968 4.434 -7.837 1.00 61.43 H new ATOM 0 HH TYR A 66 10.503 5.435 -8.230 1.00 72.52 H new ATOM 1092 N ALA A 67 16.084 0.897 -14.298 1.00 54.01 N ATOM 1093 CA ALA A 67 16.967 -0.129 -14.839 1.00 13.13 C ATOM 1094 C ALA A 67 18.429 0.282 -14.710 1.00 5.32 C ATOM 1095 O ALA A 67 19.330 -0.550 -14.817 1.00 31.25 O ATOM 1096 CB ALA A 67 16.621 -0.409 -16.294 1.00 25.22 C ATOM 0 H ALA A 67 15.714 1.545 -14.994 1.00 54.01 H new ATOM 0 HA ALA A 67 16.821 -1.041 -14.261 1.00 13.13 H new ATOM 0 HB1 ALA A 67 17.288 -1.177 -16.685 1.00 25.22 H new ATOM 0 HB2 ALA A 67 15.590 -0.755 -16.363 1.00 25.22 H new ATOM 0 HB3 ALA A 67 16.737 0.504 -16.878 1.00 25.22 H new ATOM 1102 N SER A 68 18.659 1.571 -14.480 1.00 40.34 N ATOM 1103 CA SER A 68 20.013 2.094 -14.342 1.00 24.44 C ATOM 1104 C SER A 68 20.429 2.143 -12.874 1.00 71.34 C ATOM 1105 O SER A 68 21.617 2.127 -12.553 1.00 2.32 O ATOM 1106 CB SER A 68 20.110 3.491 -14.958 1.00 34.43 C ATOM 1107 OG SER A 68 19.122 4.354 -14.421 1.00 24.13 O ATOM 0 H SER A 68 17.925 2.272 -14.385 1.00 40.34 H new ATOM 0 HA SER A 68 20.690 1.424 -14.872 1.00 24.44 H new ATOM 0 HB2 SER A 68 21.100 3.906 -14.772 1.00 34.43 H new ATOM 0 HB3 SER A 68 19.991 3.424 -16.039 1.00 34.43 H new ATOM 0 HG SER A 68 19.206 5.241 -14.829 1.00 24.13 H new ATOM 1113 N VAL A 69 19.440 2.202 -11.988 1.00 5.14 N ATOM 1114 CA VAL A 69 19.702 2.252 -10.554 1.00 54.50 C ATOM 1115 C VAL A 69 20.647 1.135 -10.128 1.00 43.21 C ATOM 1116 O VAL A 69 20.747 0.105 -10.794 1.00 71.42 O ATOM 1117 CB VAL A 69 18.397 2.144 -9.742 1.00 24.21 C ATOM 1118 CG1 VAL A 69 17.833 0.734 -9.824 1.00 73.23 C ATOM 1119 CG2 VAL A 69 18.636 2.548 -8.295 1.00 22.42 C ATOM 0 H VAL A 69 18.451 2.216 -12.237 1.00 5.14 H new ATOM 0 HA VAL A 69 20.170 3.215 -10.351 1.00 54.50 H new ATOM 0 HB VAL A 69 17.665 2.828 -10.170 1.00 24.21 H new ATOM 0 HG11 VAL A 69 16.912 0.676 -9.245 1.00 73.23 H new ATOM 0 HG12 VAL A 69 17.624 0.486 -10.865 1.00 73.23 H new ATOM 0 HG13 VAL A 69 18.559 0.028 -9.422 1.00 73.23 H new ATOM 0 HG21 VAL A 69 17.704 2.466 -7.736 1.00 22.42 H new ATOM 0 HG22 VAL A 69 19.384 1.890 -7.852 1.00 22.42 H new ATOM 0 HG23 VAL A 69 18.991 3.578 -8.259 1.00 22.42 H new ATOM 1129 N ASP A 70 21.339 1.346 -9.014 1.00 44.21 N ATOM 1130 CA ASP A 70 22.277 0.356 -8.497 1.00 71.12 C ATOM 1131 C ASP A 70 21.786 -0.217 -7.171 1.00 43.40 C ATOM 1132 O ASP A 70 21.830 0.453 -6.139 1.00 11.35 O ATOM 1133 CB ASP A 70 23.662 0.979 -8.317 1.00 20.03 C ATOM 1134 CG ASP A 70 24.770 0.094 -8.853 1.00 75.42 C ATOM 1135 OD1 ASP A 70 24.534 -1.123 -9.006 1.00 62.03 O ATOM 1136 OD2 ASP A 70 25.872 0.617 -9.119 1.00 51.12 O ATOM 0 H ASP A 70 21.268 2.194 -8.451 1.00 44.21 H new ATOM 0 HA ASP A 70 22.345 -0.457 -9.220 1.00 71.12 H new ATOM 0 HB2 ASP A 70 23.693 1.942 -8.826 1.00 20.03 H new ATOM 0 HB3 ASP A 70 23.835 1.172 -7.258 1.00 20.03 H new ATOM 1141 N THR A 71 21.318 -1.460 -7.206 1.00 71.31 N ATOM 1142 CA THR A 71 20.817 -2.122 -6.008 1.00 72.44 C ATOM 1143 C THR A 71 21.953 -2.453 -5.047 1.00 15.22 C ATOM 1144 O THR A 71 21.729 -2.653 -3.853 1.00 5.44 O ATOM 1145 CB THR A 71 20.061 -3.419 -6.357 1.00 44.34 C ATOM 1146 OG1 THR A 71 20.403 -3.844 -7.681 1.00 44.34 O ATOM 1147 CG2 THR A 71 18.558 -3.212 -6.258 1.00 75.03 C ATOM 0 H THR A 71 21.275 -2.029 -8.051 1.00 71.31 H new ATOM 0 HA THR A 71 20.129 -1.427 -5.527 1.00 72.44 H new ATOM 0 HB THR A 71 20.354 -4.188 -5.642 1.00 44.34 H new ATOM 0 HG1 THR A 71 19.968 -4.701 -7.872 1.00 44.34 H new ATOM 0 HG21 THR A 71 18.046 -4.141 -6.509 1.00 75.03 H new ATOM 0 HG22 THR A 71 18.298 -2.917 -5.242 1.00 75.03 H new ATOM 0 HG23 THR A 71 18.252 -2.430 -6.953 1.00 75.03 H new ATOM 1155 N TYR A 72 23.170 -2.508 -5.574 1.00 64.11 N ATOM 1156 CA TYR A 72 24.342 -2.816 -4.762 1.00 74.11 C ATOM 1157 C TYR A 72 24.559 -1.750 -3.693 1.00 14.05 C ATOM 1158 O TYR A 72 24.640 -2.056 -2.503 1.00 0.23 O ATOM 1159 CB TYR A 72 25.585 -2.929 -5.645 1.00 43.23 C ATOM 1160 CG TYR A 72 26.881 -2.954 -4.866 1.00 50.23 C ATOM 1161 CD1 TYR A 72 27.182 -4.009 -4.015 1.00 25.42 C ATOM 1162 CD2 TYR A 72 27.804 -1.922 -4.983 1.00 3.12 C ATOM 1163 CE1 TYR A 72 28.365 -4.036 -3.301 1.00 13.23 C ATOM 1164 CE2 TYR A 72 28.990 -1.941 -4.274 1.00 13.34 C ATOM 1165 CZ TYR A 72 29.265 -2.999 -3.434 1.00 21.44 C ATOM 1166 OH TYR A 72 30.444 -3.023 -2.725 1.00 45.20 O ATOM 0 H TYR A 72 23.372 -2.343 -6.560 1.00 64.11 H new ATOM 0 HA TYR A 72 24.169 -3.771 -4.267 1.00 74.11 H new ATOM 0 HB2 TYR A 72 25.513 -3.837 -6.244 1.00 43.23 H new ATOM 0 HB3 TYR A 72 25.605 -2.089 -6.340 1.00 43.23 H new ATOM 0 HD1 TYR A 72 26.480 -4.823 -3.909 1.00 25.42 H new ATOM 0 HD2 TYR A 72 27.591 -1.091 -5.639 1.00 3.12 H new ATOM 0 HE1 TYR A 72 28.584 -4.864 -2.643 1.00 13.23 H new ATOM 0 HE2 TYR A 72 29.697 -1.132 -4.377 1.00 13.34 H new ATOM 0 HH TYR A 72 30.967 -2.220 -2.932 1.00 45.20 H new ATOM 1176 N ASP A 73 24.651 -0.497 -4.125 1.00 73.54 N ATOM 1177 CA ASP A 73 24.856 0.616 -3.206 1.00 65.13 C ATOM 1178 C ASP A 73 23.669 0.766 -2.260 1.00 42.23 C ATOM 1179 O ASP A 73 22.550 1.041 -2.692 1.00 54.14 O ATOM 1180 CB ASP A 73 25.072 1.915 -3.985 1.00 33.31 C ATOM 1181 CG ASP A 73 25.638 3.022 -3.118 1.00 55.32 C ATOM 1182 OD1 ASP A 73 26.116 2.719 -2.005 1.00 13.42 O ATOM 1183 OD2 ASP A 73 25.603 4.192 -3.554 1.00 1.14 O ATOM 0 H ASP A 73 24.587 -0.227 -5.106 1.00 73.54 H new ATOM 0 HA ASP A 73 25.745 0.406 -2.612 1.00 65.13 H new ATOM 0 HB2 ASP A 73 25.749 1.727 -4.818 1.00 33.31 H new ATOM 0 HB3 ASP A 73 24.124 2.241 -4.412 1.00 33.31 H new ATOM 1188 N ARG A 74 23.922 0.583 -0.968 1.00 75.15 N ATOM 1189 CA ARG A 74 22.873 0.696 0.038 1.00 21.23 C ATOM 1190 C ARG A 74 22.212 2.070 -0.017 1.00 4.14 C ATOM 1191 O ARG A 74 21.082 2.244 0.437 1.00 72.21 O ATOM 1192 CB ARG A 74 23.449 0.450 1.434 1.00 15.13 C ATOM 1193 CG ARG A 74 24.390 1.546 1.906 1.00 22.24 C ATOM 1194 CD ARG A 74 25.814 1.299 1.433 1.00 21.43 C ATOM 1195 NE ARG A 74 26.775 1.367 2.531 1.00 42.42 N ATOM 1196 CZ ARG A 74 27.219 2.507 3.049 1.00 14.31 C ATOM 1197 NH1 ARG A 74 26.789 3.668 2.572 1.00 21.53 N ATOM 1198 NH2 ARG A 74 28.093 2.488 4.047 1.00 40.11 N ATOM 0 H ARG A 74 24.843 0.356 -0.594 1.00 75.15 H new ATOM 0 HA ARG A 74 22.117 -0.060 -0.175 1.00 21.23 H new ATOM 0 HB2 ARG A 74 22.628 0.356 2.145 1.00 15.13 H new ATOM 0 HB3 ARG A 74 23.982 -0.501 1.436 1.00 15.13 H new ATOM 0 HG2 ARG A 74 24.044 2.510 1.533 1.00 22.24 H new ATOM 0 HG3 ARG A 74 24.371 1.600 2.995 1.00 22.24 H new ATOM 0 HD2 ARG A 74 25.874 0.319 0.959 1.00 21.43 H new ATOM 0 HD3 ARG A 74 26.077 2.036 0.675 1.00 21.43 H new ATOM 0 HE ARG A 74 27.124 0.492 2.921 1.00 42.42 H new ATOM 0 HH11 ARG A 74 26.116 3.687 1.806 1.00 21.53 H new ATOM 0 HH12 ARG A 74 27.131 4.542 2.972 1.00 21.53 H new ATOM 0 HH21 ARG A 74 28.425 1.597 4.417 1.00 40.11 H new ATOM 0 HH22 ARG A 74 28.433 3.364 4.444 1.00 40.11 H new ATOM 1212 N GLU A 75 22.927 3.043 -0.574 1.00 74.34 N ATOM 1213 CA GLU A 75 22.409 4.401 -0.687 1.00 3.42 C ATOM 1214 C GLU A 75 21.227 4.455 -1.650 1.00 14.44 C ATOM 1215 O GLU A 75 20.140 4.905 -1.288 1.00 53.20 O ATOM 1216 CB GLU A 75 23.510 5.353 -1.160 1.00 63.43 C ATOM 1217 CG GLU A 75 24.463 5.779 -0.056 1.00 31.21 C ATOM 1218 CD GLU A 75 25.716 6.444 -0.591 1.00 11.41 C ATOM 1219 OE1 GLU A 75 26.556 5.736 -1.185 1.00 13.10 O ATOM 1220 OE2 GLU A 75 25.857 7.673 -0.416 1.00 21.44 O ATOM 0 H GLU A 75 23.865 2.916 -0.953 1.00 74.34 H new ATOM 0 HA GLU A 75 22.066 4.714 0.299 1.00 3.42 H new ATOM 0 HB2 GLU A 75 24.080 4.870 -1.954 1.00 63.43 H new ATOM 0 HB3 GLU A 75 23.049 6.241 -1.593 1.00 63.43 H new ATOM 0 HG2 GLU A 75 23.950 6.467 0.616 1.00 31.21 H new ATOM 0 HG3 GLU A 75 24.743 4.906 0.534 1.00 31.21 H new ATOM 1227 N GLN A 76 21.448 3.994 -2.876 1.00 43.22 N ATOM 1228 CA GLN A 76 20.402 3.991 -3.891 1.00 54.24 C ATOM 1229 C GLN A 76 19.197 3.178 -3.429 1.00 1.01 C ATOM 1230 O GLN A 76 18.077 3.686 -3.370 1.00 4.41 O ATOM 1231 CB GLN A 76 20.939 3.425 -5.207 1.00 3.31 C ATOM 1232 CG GLN A 76 22.205 4.113 -5.693 1.00 12.20 C ATOM 1233 CD GLN A 76 21.983 4.915 -6.960 1.00 62.24 C ATOM 1234 OE1 GLN A 76 22.414 4.367 -8.091 1.00 43.04 O flip ATOM 1235 NE2 GLN A 76 21.431 6.015 -6.924 1.00 34.33 N flip ATOM 0 H GLN A 76 22.342 3.618 -3.191 1.00 43.22 H new ATOM 0 HA GLN A 76 20.083 5.021 -4.050 1.00 54.24 H new ATOM 0 HB2 GLN A 76 21.139 2.361 -5.081 1.00 3.31 H new ATOM 0 HB3 GLN A 76 20.169 3.516 -5.973 1.00 3.31 H new ATOM 0 HG2 GLN A 76 22.579 4.773 -4.910 1.00 12.20 H new ATOM 0 HG3 GLN A 76 22.976 3.363 -5.872 1.00 12.20 H new ATOM 0 HE21 GLN A 76 21.115 6.398 -6.033 1.00 34.33 H new ATOM 0 HE22 GLN A 76 21.289 6.543 -7.785 1.00 34.33 H new ATOM 1244 N VAL A 77 19.434 1.912 -3.102 1.00 24.40 N ATOM 1245 CA VAL A 77 18.369 1.028 -2.644 1.00 21.20 C ATOM 1246 C VAL A 77 17.599 1.650 -1.485 1.00 53.31 C ATOM 1247 O VAL A 77 16.400 1.422 -1.330 1.00 35.32 O ATOM 1248 CB VAL A 77 18.925 -0.339 -2.201 1.00 40.33 C ATOM 1249 CG1 VAL A 77 19.505 -0.250 -0.798 1.00 33.32 C ATOM 1250 CG2 VAL A 77 17.841 -1.403 -2.273 1.00 73.20 C ATOM 0 H VAL A 77 20.355 1.475 -3.146 1.00 24.40 H new ATOM 0 HA VAL A 77 17.695 0.882 -3.488 1.00 21.20 H new ATOM 0 HB VAL A 77 19.727 -0.624 -2.882 1.00 40.33 H new ATOM 0 HG11 VAL A 77 19.893 -1.225 -0.502 1.00 33.32 H new ATOM 0 HG12 VAL A 77 20.313 0.481 -0.784 1.00 33.32 H new ATOM 0 HG13 VAL A 77 18.725 0.057 -0.101 1.00 33.32 H new ATOM 0 HG21 VAL A 77 18.251 -2.362 -1.957 1.00 73.20 H new ATOM 0 HG22 VAL A 77 17.016 -1.127 -1.616 1.00 73.20 H new ATOM 0 HG23 VAL A 77 17.478 -1.484 -3.298 1.00 73.20 H new ATOM 1260 N MET A 78 18.296 2.439 -0.674 1.00 21.11 N ATOM 1261 CA MET A 78 17.677 3.096 0.471 1.00 54.51 C ATOM 1262 C MET A 78 16.673 4.151 0.015 1.00 61.23 C ATOM 1263 O MET A 78 15.506 4.122 0.406 1.00 50.32 O ATOM 1264 CB MET A 78 18.745 3.742 1.355 1.00 22.44 C ATOM 1265 CG MET A 78 19.150 2.884 2.543 1.00 20.22 C ATOM 1266 SD MET A 78 20.283 3.733 3.660 1.00 53.44 S ATOM 1267 CE MET A 78 21.859 3.107 3.084 1.00 31.21 C ATOM 0 H MET A 78 19.290 2.639 -0.789 1.00 21.11 H new ATOM 0 HA MET A 78 17.146 2.339 1.049 1.00 54.51 H new ATOM 0 HB2 MET A 78 19.628 3.951 0.751 1.00 22.44 H new ATOM 0 HB3 MET A 78 18.373 4.700 1.719 1.00 22.44 H new ATOM 0 HG2 MET A 78 18.257 2.588 3.094 1.00 20.22 H new ATOM 0 HG3 MET A 78 19.620 1.969 2.182 1.00 20.22 H new ATOM 0 HE1 MET A 78 22.588 3.158 3.892 1.00 31.21 H new ATOM 0 HE2 MET A 78 21.744 2.071 2.764 1.00 31.21 H new ATOM 0 HE3 MET A 78 22.205 3.710 2.244 1.00 31.21 H new ATOM 1277 N LYS A 79 17.135 5.081 -0.814 1.00 75.24 N ATOM 1278 CA LYS A 79 16.278 6.144 -1.325 1.00 52.32 C ATOM 1279 C LYS A 79 15.045 5.567 -2.013 1.00 32.21 C ATOM 1280 O LYS A 79 13.944 6.105 -1.889 1.00 3.13 O ATOM 1281 CB LYS A 79 17.055 7.027 -2.305 1.00 14.03 C ATOM 1282 CG LYS A 79 18.271 7.695 -1.688 1.00 4.00 C ATOM 1283 CD LYS A 79 19.339 7.980 -2.731 1.00 2.54 C ATOM 1284 CE LYS A 79 20.405 8.923 -2.193 1.00 62.21 C ATOM 1285 NZ LYS A 79 21.322 9.394 -3.268 1.00 10.01 N ATOM 0 H LYS A 79 18.099 5.120 -1.146 1.00 75.24 H new ATOM 0 HA LYS A 79 15.951 6.749 -0.480 1.00 52.32 H new ATOM 0 HB2 LYS A 79 17.375 6.421 -3.152 1.00 14.03 H new ATOM 0 HB3 LYS A 79 16.388 7.795 -2.696 1.00 14.03 H new ATOM 0 HG2 LYS A 79 17.971 8.627 -1.208 1.00 4.00 H new ATOM 0 HG3 LYS A 79 18.684 7.054 -0.909 1.00 4.00 H new ATOM 0 HD2 LYS A 79 19.803 7.044 -3.043 1.00 2.54 H new ATOM 0 HD3 LYS A 79 18.877 8.418 -3.616 1.00 2.54 H new ATOM 0 HE2 LYS A 79 19.926 9.782 -1.722 1.00 62.21 H new ATOM 0 HE3 LYS A 79 20.982 8.416 -1.420 1.00 62.21 H new ATOM 0 HZ1 LYS A 79 22.034 10.034 -2.861 1.00 10.01 H new ATOM 0 HZ2 LYS A 79 21.798 8.577 -3.701 1.00 10.01 H new ATOM 0 HZ3 LYS A 79 20.775 9.900 -3.993 1.00 10.01 H new ATOM 1299 N ILE A 80 15.236 4.469 -2.736 1.00 62.31 N ATOM 1300 CA ILE A 80 14.139 3.818 -3.441 1.00 32.45 C ATOM 1301 C ILE A 80 13.112 3.259 -2.462 1.00 15.24 C ATOM 1302 O ILE A 80 11.919 3.549 -2.565 1.00 62.23 O ATOM 1303 CB ILE A 80 14.646 2.676 -4.341 1.00 44.12 C ATOM 1304 CG1 ILE A 80 15.627 3.217 -5.383 1.00 45.22 C ATOM 1305 CG2 ILE A 80 13.478 1.977 -5.019 1.00 73.40 C ATOM 1306 CD1 ILE A 80 16.699 2.225 -5.777 1.00 73.53 C ATOM 0 H ILE A 80 16.141 4.011 -2.849 1.00 62.31 H new ATOM 0 HA ILE A 80 13.669 4.579 -4.064 1.00 32.45 H new ATOM 0 HB ILE A 80 15.168 1.948 -3.720 1.00 44.12 H new ATOM 0 HG12 ILE A 80 15.072 3.513 -6.273 1.00 45.22 H new ATOM 0 HG13 ILE A 80 16.102 4.116 -4.990 1.00 45.22 H new ATOM 0 HG21 ILE A 80 13.853 1.172 -5.652 1.00 73.40 H new ATOM 0 HG22 ILE A 80 12.812 1.563 -4.262 1.00 73.40 H new ATOM 0 HG23 ILE A 80 12.930 2.694 -5.631 1.00 73.40 H new ATOM 0 HD11 ILE A 80 17.358 2.677 -6.519 1.00 73.53 H new ATOM 0 HD12 ILE A 80 17.279 1.948 -4.897 1.00 73.53 H new ATOM 0 HD13 ILE A 80 16.233 1.335 -6.200 1.00 73.53 H new ATOM 1318 N ILE A 81 13.582 2.459 -1.511 1.00 3.20 N ATOM 1319 CA ILE A 81 12.705 1.863 -0.511 1.00 71.24 C ATOM 1320 C ILE A 81 12.026 2.935 0.334 1.00 73.02 C ATOM 1321 O ILE A 81 10.868 2.789 0.726 1.00 11.53 O ATOM 1322 CB ILE A 81 13.477 0.906 0.416 1.00 11.25 C ATOM 1323 CG1 ILE A 81 14.027 -0.279 -0.380 1.00 51.31 C ATOM 1324 CG2 ILE A 81 12.578 0.422 1.544 1.00 30.12 C ATOM 1325 CD1 ILE A 81 15.016 -1.121 0.395 1.00 41.21 C ATOM 0 H ILE A 81 14.566 2.209 -1.412 1.00 3.20 H new ATOM 0 HA ILE A 81 11.947 1.298 -1.053 1.00 71.24 H new ATOM 0 HB ILE A 81 14.317 1.446 0.853 1.00 11.25 H new ATOM 0 HG12 ILE A 81 13.197 -0.909 -0.698 1.00 51.31 H new ATOM 0 HG13 ILE A 81 14.509 0.093 -1.284 1.00 51.31 H new ATOM 0 HG21 ILE A 81 13.138 -0.254 2.191 1.00 30.12 H new ATOM 0 HG22 ILE A 81 12.231 1.277 2.125 1.00 30.12 H new ATOM 0 HG23 ILE A 81 11.720 -0.104 1.125 1.00 30.12 H new ATOM 0 HD11 ILE A 81 15.364 -1.942 -0.231 1.00 41.21 H new ATOM 0 HD12 ILE A 81 15.865 -0.505 0.690 1.00 41.21 H new ATOM 0 HD13 ILE A 81 14.532 -1.523 1.285 1.00 41.21 H new ATOM 1337 N ASP A 82 12.753 4.012 0.609 1.00 53.22 N ATOM 1338 CA ASP A 82 12.220 5.111 1.405 1.00 12.51 C ATOM 1339 C ASP A 82 11.165 5.888 0.623 1.00 72.41 C ATOM 1340 O ASP A 82 10.105 6.218 1.153 1.00 54.03 O ATOM 1341 CB ASP A 82 13.347 6.051 1.836 1.00 43.15 C ATOM 1342 CG ASP A 82 13.861 5.739 3.227 1.00 5.01 C ATOM 1343 OD1 ASP A 82 13.033 5.624 4.154 1.00 14.45 O ATOM 1344 OD2 ASP A 82 15.093 5.608 3.389 1.00 53.52 O ATOM 0 H ASP A 82 13.713 4.147 0.292 1.00 53.22 H new ATOM 0 HA ASP A 82 11.750 4.688 2.293 1.00 12.51 H new ATOM 0 HB2 ASP A 82 14.169 5.979 1.124 1.00 43.15 H new ATOM 0 HB3 ASP A 82 12.989 7.080 1.806 1.00 43.15 H new ATOM 1349 N GLU A 83 11.465 6.176 -0.640 1.00 35.41 N ATOM 1350 CA GLU A 83 10.542 6.915 -1.494 1.00 20.33 C ATOM 1351 C GLU A 83 9.298 6.085 -1.797 1.00 71.20 C ATOM 1352 O GLU A 83 8.172 6.568 -1.679 1.00 54.24 O ATOM 1353 CB GLU A 83 11.231 7.317 -2.799 1.00 63.54 C ATOM 1354 CG GLU A 83 12.151 8.518 -2.658 1.00 31.35 C ATOM 1355 CD GLU A 83 11.400 9.790 -2.316 1.00 42.10 C ATOM 1356 OE1 GLU A 83 10.260 9.954 -2.797 1.00 51.34 O ATOM 1357 OE2 GLU A 83 11.954 10.622 -1.567 1.00 31.14 O ATOM 0 H GLU A 83 12.339 5.909 -1.094 1.00 35.41 H new ATOM 0 HA GLU A 83 10.236 7.815 -0.961 1.00 20.33 H new ATOM 0 HB2 GLU A 83 11.808 6.470 -3.171 1.00 63.54 H new ATOM 0 HB3 GLU A 83 10.471 7.539 -3.548 1.00 63.54 H new ATOM 0 HG2 GLU A 83 12.889 8.316 -1.882 1.00 31.35 H new ATOM 0 HG3 GLU A 83 12.699 8.663 -3.589 1.00 31.35 H new ATOM 1364 N PHE A 84 9.510 4.833 -2.189 1.00 20.24 N ATOM 1365 CA PHE A 84 8.407 3.935 -2.511 1.00 12.22 C ATOM 1366 C PHE A 84 7.624 3.564 -1.255 1.00 74.50 C ATOM 1367 O PHE A 84 6.538 2.989 -1.334 1.00 32.43 O ATOM 1368 CB PHE A 84 8.933 2.669 -3.191 1.00 1.45 C ATOM 1369 CG PHE A 84 9.169 2.834 -4.665 1.00 13.43 C ATOM 1370 CD1 PHE A 84 10.157 3.686 -5.131 1.00 1.34 C ATOM 1371 CD2 PHE A 84 8.402 2.137 -5.585 1.00 1.35 C ATOM 1372 CE1 PHE A 84 10.375 3.841 -6.487 1.00 23.53 C ATOM 1373 CE2 PHE A 84 8.616 2.287 -6.942 1.00 11.11 C ATOM 1374 CZ PHE A 84 9.605 3.139 -7.393 1.00 53.23 C ATOM 0 H PHE A 84 10.436 4.417 -2.291 1.00 20.24 H new ATOM 0 HA PHE A 84 7.737 4.454 -3.196 1.00 12.22 H new ATOM 0 HB2 PHE A 84 9.866 2.370 -2.713 1.00 1.45 H new ATOM 0 HB3 PHE A 84 8.221 1.859 -3.034 1.00 1.45 H new ATOM 0 HD1 PHE A 84 10.764 4.235 -4.427 1.00 1.34 H new ATOM 0 HD2 PHE A 84 7.628 1.469 -5.237 1.00 1.35 H new ATOM 0 HE1 PHE A 84 11.147 4.510 -6.838 1.00 23.53 H new ATOM 0 HE2 PHE A 84 8.011 1.739 -7.649 1.00 11.11 H new ATOM 0 HZ PHE A 84 9.776 3.256 -8.453 1.00 53.23 H new ATOM 1384 N LYS A 85 8.183 3.896 -0.096 1.00 71.44 N ATOM 1385 CA LYS A 85 7.539 3.599 1.178 1.00 72.45 C ATOM 1386 C LYS A 85 7.289 2.101 1.325 1.00 41.01 C ATOM 1387 O LYS A 85 6.163 1.672 1.581 1.00 43.55 O ATOM 1388 CB LYS A 85 6.217 4.361 1.294 1.00 31.31 C ATOM 1389 CG LYS A 85 6.392 5.843 1.577 1.00 21.34 C ATOM 1390 CD LYS A 85 6.754 6.093 3.032 1.00 41.44 C ATOM 1391 CE LYS A 85 7.310 7.495 3.234 1.00 64.51 C ATOM 1392 NZ LYS A 85 7.335 7.879 4.672 1.00 2.14 N ATOM 0 H LYS A 85 9.082 4.371 -0.013 1.00 71.44 H new ATOM 0 HA LYS A 85 8.207 3.918 1.978 1.00 72.45 H new ATOM 0 HB2 LYS A 85 5.655 4.240 0.368 1.00 31.31 H new ATOM 0 HB3 LYS A 85 5.619 3.916 2.089 1.00 31.31 H new ATOM 0 HG2 LYS A 85 7.172 6.248 0.932 1.00 21.34 H new ATOM 0 HG3 LYS A 85 5.471 6.372 1.334 1.00 21.34 H new ATOM 0 HD2 LYS A 85 5.871 5.957 3.657 1.00 41.44 H new ATOM 0 HD3 LYS A 85 7.490 5.358 3.357 1.00 41.44 H new ATOM 0 HE2 LYS A 85 8.320 7.548 2.826 1.00 64.51 H new ATOM 0 HE3 LYS A 85 6.704 8.210 2.678 1.00 64.51 H new ATOM 0 HZ1 LYS A 85 7.720 8.840 4.768 1.00 2.14 H new ATOM 0 HZ2 LYS A 85 6.368 7.853 5.055 1.00 2.14 H new ATOM 0 HZ3 LYS A 85 7.934 7.212 5.199 1.00 2.14 H new ATOM 1406 N ILE A 86 8.345 1.311 1.163 1.00 1.05 N ATOM 1407 CA ILE A 86 8.240 -0.138 1.281 1.00 13.03 C ATOM 1408 C ILE A 86 8.438 -0.588 2.725 1.00 55.11 C ATOM 1409 O ILE A 86 9.449 -0.290 3.361 1.00 34.11 O ATOM 1410 CB ILE A 86 9.270 -0.852 0.387 1.00 24.01 C ATOM 1411 CG1 ILE A 86 9.258 -0.254 -1.021 1.00 53.41 C ATOM 1412 CG2 ILE A 86 8.984 -2.345 0.337 1.00 75.24 C ATOM 1413 CD1 ILE A 86 10.303 -0.847 -1.939 1.00 60.23 C ATOM 0 H ILE A 86 9.283 1.650 0.950 1.00 1.05 H new ATOM 0 HA ILE A 86 7.237 -0.409 0.953 1.00 13.03 H new ATOM 0 HB ILE A 86 10.262 -0.706 0.814 1.00 24.01 H new ATOM 0 HG12 ILE A 86 8.272 -0.403 -1.462 1.00 53.41 H new ATOM 0 HG13 ILE A 86 9.416 0.822 -0.951 1.00 53.41 H new ATOM 0 HG21 ILE A 86 9.721 -2.836 -0.299 1.00 75.24 H new ATOM 0 HG22 ILE A 86 9.040 -2.760 1.343 1.00 75.24 H new ATOM 0 HG23 ILE A 86 7.986 -2.511 -0.069 1.00 75.24 H new ATOM 0 HD11 ILE A 86 10.236 -0.376 -2.919 1.00 60.23 H new ATOM 0 HD12 ILE A 86 11.295 -0.675 -1.521 1.00 60.23 H new ATOM 0 HD13 ILE A 86 10.133 -1.919 -2.039 1.00 60.23 H new ATOM 1425 N PRO A 87 7.450 -1.325 3.255 1.00 3.35 N ATOM 1426 CA PRO A 87 7.493 -1.834 4.629 1.00 24.14 C ATOM 1427 C PRO A 87 8.540 -2.929 4.809 1.00 14.22 C ATOM 1428 O PRO A 87 9.030 -3.501 3.835 1.00 54.44 O ATOM 1429 CB PRO A 87 6.087 -2.399 4.843 1.00 53.33 C ATOM 1430 CG PRO A 87 5.603 -2.737 3.475 1.00 52.11 C ATOM 1431 CD PRO A 87 6.216 -1.718 2.555 1.00 41.31 C ATOM 0 HA PRO A 87 7.768 -1.057 5.343 1.00 24.14 H new ATOM 0 HB2 PRO A 87 6.108 -3.280 5.485 1.00 53.33 H new ATOM 0 HB3 PRO A 87 5.436 -1.669 5.324 1.00 53.33 H new ATOM 0 HG2 PRO A 87 5.902 -3.747 3.194 1.00 52.11 H new ATOM 0 HG3 PRO A 87 4.515 -2.702 3.426 1.00 52.11 H new ATOM 0 HD2 PRO A 87 6.428 -2.140 1.573 1.00 41.31 H new ATOM 0 HD3 PRO A 87 5.553 -0.867 2.400 1.00 41.31 H new ATOM 1439 N THR A 88 8.878 -3.217 6.062 1.00 65.41 N ATOM 1440 CA THR A 88 9.867 -4.243 6.369 1.00 21.14 C ATOM 1441 C THR A 88 9.212 -5.612 6.513 1.00 63.31 C ATOM 1442 O THR A 88 7.989 -5.720 6.604 1.00 24.31 O ATOM 1443 CB THR A 88 10.633 -3.915 7.665 1.00 42.33 C ATOM 1444 OG1 THR A 88 10.288 -2.601 8.118 1.00 21.13 O ATOM 1445 CG2 THR A 88 12.135 -4.001 7.442 1.00 65.34 C ATOM 0 H THR A 88 8.482 -2.754 6.880 1.00 65.41 H new ATOM 0 HA THR A 88 10.569 -4.264 5.536 1.00 21.14 H new ATOM 0 HB THR A 88 10.351 -4.646 8.423 1.00 42.33 H new ATOM 0 HG1 THR A 88 10.777 -2.400 8.943 1.00 21.13 H new ATOM 0 HG21 THR A 88 12.655 -3.765 8.371 1.00 65.34 H new ATOM 0 HG22 THR A 88 12.399 -5.010 7.125 1.00 65.34 H new ATOM 0 HG23 THR A 88 12.430 -3.289 6.671 1.00 65.34 H new ATOM 1453 N VAL A 89 10.034 -6.657 6.533 1.00 1.11 N ATOM 1454 CA VAL A 89 9.535 -8.020 6.668 1.00 74.13 C ATOM 1455 C VAL A 89 8.577 -8.140 7.848 1.00 61.51 C ATOM 1456 O VAL A 89 7.421 -8.529 7.684 1.00 0.21 O ATOM 1457 CB VAL A 89 10.687 -9.025 6.852 1.00 45.35 C ATOM 1458 CG1 VAL A 89 10.143 -10.426 7.083 1.00 0.04 C ATOM 1459 CG2 VAL A 89 11.615 -8.997 5.646 1.00 1.12 C ATOM 0 H VAL A 89 11.049 -6.585 6.457 1.00 1.11 H new ATOM 0 HA VAL A 89 9.003 -8.254 5.746 1.00 74.13 H new ATOM 0 HB VAL A 89 11.261 -8.735 7.732 1.00 45.35 H new ATOM 0 HG11 VAL A 89 10.972 -11.122 7.211 1.00 0.04 H new ATOM 0 HG12 VAL A 89 9.523 -10.432 7.979 1.00 0.04 H new ATOM 0 HG13 VAL A 89 9.544 -10.730 6.225 1.00 0.04 H new ATOM 0 HG21 VAL A 89 12.424 -9.713 5.792 1.00 1.12 H new ATOM 0 HG22 VAL A 89 11.054 -9.261 4.749 1.00 1.12 H new ATOM 0 HG23 VAL A 89 12.033 -7.997 5.531 1.00 1.12 H new ATOM 1469 N GLU A 90 9.067 -7.804 9.037 1.00 31.21 N ATOM 1470 CA GLU A 90 8.254 -7.875 10.245 1.00 33.33 C ATOM 1471 C GLU A 90 6.879 -7.256 10.013 1.00 55.12 C ATOM 1472 O GLU A 90 5.852 -7.884 10.271 1.00 25.30 O ATOM 1473 CB GLU A 90 8.957 -7.163 11.403 1.00 72.13 C ATOM 1474 CG GLU A 90 10.088 -7.970 12.017 1.00 65.25 C ATOM 1475 CD GLU A 90 10.956 -7.145 12.947 1.00 15.14 C ATOM 1476 OE1 GLU A 90 11.779 -6.352 12.445 1.00 60.21 O ATOM 1477 OE2 GLU A 90 10.810 -7.292 14.179 1.00 33.10 O ATOM 0 H GLU A 90 10.022 -7.480 9.189 1.00 31.21 H new ATOM 0 HA GLU A 90 8.122 -8.926 10.501 1.00 33.33 H new ATOM 0 HB2 GLU A 90 9.352 -6.212 11.047 1.00 72.13 H new ATOM 0 HB3 GLU A 90 8.224 -6.934 12.176 1.00 72.13 H new ATOM 0 HG2 GLU A 90 9.670 -8.813 12.568 1.00 65.25 H new ATOM 0 HG3 GLU A 90 10.707 -8.385 11.221 1.00 65.25 H new ATOM 1484 N GLN A 91 6.868 -6.020 9.524 1.00 12.13 N ATOM 1485 CA GLN A 91 5.619 -5.315 9.258 1.00 24.03 C ATOM 1486 C GLN A 91 4.734 -6.115 8.308 1.00 22.25 C ATOM 1487 O GLN A 91 3.508 -6.090 8.418 1.00 43.43 O ATOM 1488 CB GLN A 91 5.905 -3.934 8.666 1.00 1.23 C ATOM 1489 CG GLN A 91 6.946 -3.143 9.442 1.00 63.01 C ATOM 1490 CD GLN A 91 6.621 -3.042 10.919 1.00 1.21 C ATOM 1491 OE1 GLN A 91 5.489 -2.741 11.298 1.00 32.21 O ATOM 1492 NE2 GLN A 91 7.615 -3.293 11.763 1.00 62.10 N ATOM 0 H GLN A 91 7.709 -5.486 9.304 1.00 12.13 H new ATOM 0 HA GLN A 91 5.090 -5.195 10.204 1.00 24.03 H new ATOM 0 HB2 GLN A 91 6.244 -4.052 7.637 1.00 1.23 H new ATOM 0 HB3 GLN A 91 4.977 -3.363 8.633 1.00 1.23 H new ATOM 0 HG2 GLN A 91 7.921 -3.615 9.320 1.00 63.01 H new ATOM 0 HG3 GLN A 91 7.023 -2.140 9.021 1.00 63.01 H new ATOM 0 HE21 GLN A 91 8.538 -3.539 11.405 1.00 62.10 H new ATOM 0 HE22 GLN A 91 7.456 -3.240 12.769 1.00 62.10 H new ATOM 1501 N TRP A 92 5.363 -6.824 7.378 1.00 50.32 N ATOM 1502 CA TRP A 92 4.632 -7.631 6.408 1.00 34.32 C ATOM 1503 C TRP A 92 4.015 -8.856 7.075 1.00 62.35 C ATOM 1504 O TRP A 92 2.916 -9.281 6.720 1.00 74.53 O ATOM 1505 CB TRP A 92 5.559 -8.066 5.272 1.00 3.24 C ATOM 1506 CG TRP A 92 4.861 -8.847 4.201 1.00 51.02 C ATOM 1507 CD1 TRP A 92 3.786 -8.444 3.461 1.00 13.15 C ATOM 1508 CD2 TRP A 92 5.188 -10.166 3.750 1.00 22.05 C ATOM 1509 NE1 TRP A 92 3.425 -9.433 2.579 1.00 72.14 N ATOM 1510 CE2 TRP A 92 4.270 -10.499 2.735 1.00 21.54 C ATOM 1511 CE3 TRP A 92 6.168 -11.097 4.104 1.00 25.02 C ATOM 1512 CZ2 TRP A 92 4.305 -11.724 2.074 1.00 73.02 C ATOM 1513 CZ3 TRP A 92 6.201 -12.312 3.447 1.00 63.02 C ATOM 1514 CH2 TRP A 92 5.275 -12.617 2.440 1.00 10.45 C ATOM 0 H TRP A 92 6.377 -6.857 7.275 1.00 50.32 H new ATOM 0 HA TRP A 92 3.828 -7.020 5.997 1.00 34.32 H new ATOM 0 HB2 TRP A 92 6.016 -7.182 4.827 1.00 3.24 H new ATOM 0 HB3 TRP A 92 6.367 -8.670 5.684 1.00 3.24 H new ATOM 0 HD1 TRP A 92 3.292 -7.488 3.556 1.00 13.15 H new ATOM 0 HE1 TRP A 92 2.652 -9.382 1.915 1.00 72.14 H new ATOM 0 HE3 TRP A 92 6.887 -10.871 4.878 1.00 25.02 H new ATOM 0 HZ2 TRP A 92 3.591 -11.961 1.299 1.00 73.02 H new ATOM 0 HZ3 TRP A 92 6.953 -13.039 3.714 1.00 63.02 H new ATOM 0 HH2 TRP A 92 5.328 -13.575 1.944 1.00 10.45 H new ATOM 1525 N LYS A 93 4.730 -9.420 8.042 1.00 33.44 N ATOM 1526 CA LYS A 93 4.253 -10.596 8.760 1.00 34.43 C ATOM 1527 C LYS A 93 3.052 -10.250 9.635 1.00 53.03 C ATOM 1528 O LYS A 93 2.117 -11.041 9.764 1.00 41.24 O ATOM 1529 CB LYS A 93 5.373 -11.182 9.623 1.00 71.23 C ATOM 1530 CG LYS A 93 6.732 -11.168 8.946 1.00 45.42 C ATOM 1531 CD LYS A 93 6.644 -11.647 7.507 1.00 61.13 C ATOM 1532 CE LYS A 93 5.890 -12.964 7.403 1.00 12.13 C ATOM 1533 NZ LYS A 93 6.561 -13.916 6.475 1.00 32.05 N ATOM 0 H LYS A 93 5.643 -9.082 8.347 1.00 33.44 H new ATOM 0 HA LYS A 93 3.943 -11.338 8.024 1.00 34.43 H new ATOM 0 HB2 LYS A 93 5.435 -10.620 10.555 1.00 71.23 H new ATOM 0 HB3 LYS A 93 5.118 -12.208 9.887 1.00 71.23 H new ATOM 0 HG2 LYS A 93 7.141 -10.158 8.970 1.00 45.42 H new ATOM 0 HG3 LYS A 93 7.422 -11.804 9.500 1.00 45.42 H new ATOM 0 HD2 LYS A 93 6.144 -10.891 6.901 1.00 61.13 H new ATOM 0 HD3 LYS A 93 7.648 -11.768 7.101 1.00 61.13 H new ATOM 0 HE2 LYS A 93 5.810 -13.416 8.392 1.00 12.13 H new ATOM 0 HE3 LYS A 93 4.874 -12.774 7.057 1.00 12.13 H new ATOM 0 HZ1 LYS A 93 6.007 -14.794 6.419 1.00 32.05 H new ATOM 0 HZ2 LYS A 93 6.630 -13.489 5.529 1.00 32.05 H new ATOM 0 HZ3 LYS A 93 7.515 -14.130 6.828 1.00 32.05 H new ATOM 1547 N ASP A 94 3.083 -9.064 10.232 1.00 42.32 N ATOM 1548 CA ASP A 94 1.996 -8.612 11.092 1.00 12.30 C ATOM 1549 C ASP A 94 0.754 -8.280 10.270 1.00 64.22 C ATOM 1550 O ASP A 94 -0.343 -8.751 10.569 1.00 43.24 O ATOM 1551 CB ASP A 94 2.431 -7.387 11.899 1.00 55.05 C ATOM 1552 CG ASP A 94 1.500 -7.098 13.060 1.00 74.23 C ATOM 1553 OD1 ASP A 94 0.817 -8.037 13.520 1.00 53.23 O ATOM 1554 OD2 ASP A 94 1.453 -5.933 13.508 1.00 61.21 O ATOM 0 H ASP A 94 3.849 -8.398 10.136 1.00 42.32 H new ATOM 0 HA ASP A 94 1.749 -9.421 11.779 1.00 12.30 H new ATOM 0 HB2 ASP A 94 3.441 -7.545 12.278 1.00 55.05 H new ATOM 0 HB3 ASP A 94 2.469 -6.518 11.242 1.00 55.05 H new ATOM 1559 N GLN A 95 0.936 -7.467 9.234 1.00 3.25 N ATOM 1560 CA GLN A 95 -0.170 -7.071 8.371 1.00 62.33 C ATOM 1561 C GLN A 95 -0.830 -8.292 7.739 1.00 73.13 C ATOM 1562 O GLN A 95 -2.053 -8.348 7.599 1.00 44.01 O ATOM 1563 CB GLN A 95 0.323 -6.120 7.279 1.00 70.55 C ATOM 1564 CG GLN A 95 1.276 -6.772 6.290 1.00 43.24 C ATOM 1565 CD GLN A 95 1.808 -5.794 5.260 1.00 15.34 C ATOM 1566 OE1 GLN A 95 1.576 -5.950 4.061 1.00 15.42 O ATOM 1567 NE2 GLN A 95 2.525 -4.777 5.724 1.00 20.24 N ATOM 0 H GLN A 95 1.838 -7.070 8.972 1.00 3.25 H new ATOM 0 HA GLN A 95 -0.910 -6.556 8.983 1.00 62.33 H new ATOM 0 HB2 GLN A 95 -0.536 -5.726 6.737 1.00 70.55 H new ATOM 0 HB3 GLN A 95 0.822 -5.271 7.746 1.00 70.55 H new ATOM 0 HG2 GLN A 95 2.112 -7.212 6.833 1.00 43.24 H new ATOM 0 HG3 GLN A 95 0.763 -7.587 5.780 1.00 43.24 H new ATOM 0 HE21 GLN A 95 2.693 -4.686 6.726 1.00 20.24 H new ATOM 0 HE22 GLN A 95 2.908 -4.086 5.078 1.00 20.24 H new ATOM 1576 N THR A 96 -0.014 -9.270 7.357 1.00 0.42 N ATOM 1577 CA THR A 96 -0.518 -10.489 6.738 1.00 14.15 C ATOM 1578 C THR A 96 -1.264 -11.351 7.751 1.00 62.34 C ATOM 1579 O THR A 96 -2.367 -11.828 7.482 1.00 44.44 O ATOM 1580 CB THR A 96 0.622 -11.317 6.117 1.00 41.21 C ATOM 1581 OG1 THR A 96 1.672 -11.500 7.073 1.00 32.44 O ATOM 1582 CG2 THR A 96 1.174 -10.632 4.876 1.00 41.50 C ATOM 0 H THR A 96 1.000 -9.241 7.466 1.00 0.42 H new ATOM 0 HA THR A 96 -1.205 -10.183 5.949 1.00 14.15 H new ATOM 0 HB THR A 96 0.220 -12.288 5.829 1.00 41.21 H new ATOM 0 HG1 THR A 96 2.260 -10.716 7.067 1.00 32.44 H new ATOM 0 HG21 THR A 96 1.978 -11.235 4.455 1.00 41.50 H new ATOM 0 HG22 THR A 96 0.379 -10.520 4.138 1.00 41.50 H new ATOM 0 HG23 THR A 96 1.561 -9.649 5.145 1.00 41.50 H new ATOM 1941 N PHE B -7 10.311 -15.265 8.718 1.00 44.30 N ATOM 1942 CA PHE B -7 11.536 -15.455 7.950 1.00 42.22 C ATOM 1943 C PHE B -7 12.758 -15.031 8.760 1.00 53.51 C ATOM 1944 O PHE B -7 13.542 -15.869 9.205 1.00 12.04 O ATOM 1945 CB PHE B -7 11.474 -14.658 6.645 1.00 72.11 C ATOM 1946 CG PHE B -7 10.580 -15.276 5.608 1.00 44.24 C ATOM 1947 CD1 PHE B -7 10.995 -16.385 4.889 1.00 65.14 C ATOM 1948 CD2 PHE B -7 9.325 -14.748 5.352 1.00 43.42 C ATOM 1949 CE1 PHE B -7 10.176 -16.955 3.933 1.00 54.11 C ATOM 1950 CE2 PHE B -7 8.501 -15.313 4.398 1.00 73.45 C ATOM 1951 CZ PHE B -7 8.926 -16.419 3.688 1.00 62.20 C ATOM 0 H1 PHE B -7 9.514 -15.110 8.068 1.00 44.30 H new ATOM 0 H2 PHE B -7 10.128 -16.111 9.294 1.00 44.30 H new ATOM 0 H3 PHE B -7 10.416 -14.438 9.340 1.00 44.30 H new ATOM 0 HA PHE B -7 11.627 -16.516 7.716 1.00 42.22 H new ATOM 0 HB2 PHE B -7 11.123 -13.649 6.861 1.00 72.11 H new ATOM 0 HB3 PHE B -7 12.480 -14.565 6.237 1.00 72.11 H new ATOM 0 HD1 PHE B -7 11.970 -16.809 5.078 1.00 65.14 H new ATOM 0 HD2 PHE B -7 8.987 -13.884 5.905 1.00 43.42 H new ATOM 0 HE1 PHE B -7 10.512 -17.818 3.378 1.00 54.11 H new ATOM 0 HE2 PHE B -7 7.526 -14.890 4.207 1.00 73.45 H new ATOM 0 HZ PHE B -7 8.283 -16.864 2.943 1.00 62.20 H new ATOM 1961 N ILE B -6 12.912 -13.724 8.946 1.00 42.03 N ATOM 1962 CA ILE B -6 14.037 -13.188 9.702 1.00 21.21 C ATOM 1963 C ILE B -6 15.360 -13.747 9.189 1.00 2.34 C ATOM 1964 O ILE B -6 15.989 -14.598 9.818 1.00 35.35 O ATOM 1965 CB ILE B -6 13.907 -13.504 11.204 1.00 41.11 C ATOM 1966 CG1 ILE B -6 12.484 -13.216 11.687 1.00 40.05 C ATOM 1967 CG2 ILE B -6 14.917 -12.696 12.004 1.00 4.34 C ATOM 1968 CD1 ILE B -6 12.035 -11.795 11.429 1.00 13.33 C ATOM 0 H ILE B -6 12.272 -13.017 8.584 1.00 42.03 H new ATOM 0 HA ILE B -6 14.024 -12.107 9.564 1.00 21.21 H new ATOM 0 HB ILE B -6 14.115 -14.563 11.357 1.00 41.11 H new ATOM 0 HG12 ILE B -6 11.795 -13.901 11.193 1.00 40.05 H new ATOM 0 HG13 ILE B -6 12.424 -13.419 12.756 1.00 40.05 H new ATOM 0 HG21 ILE B -6 14.813 -12.930 13.063 1.00 4.34 H new ATOM 0 HG22 ILE B -6 15.926 -12.946 11.675 1.00 4.34 H new ATOM 0 HG23 ILE B -6 14.737 -11.632 11.848 1.00 4.34 H new ATOM 0 HD11 ILE B -6 11.018 -11.662 11.797 1.00 13.33 H new ATOM 0 HD12 ILE B -6 12.701 -11.104 11.946 1.00 13.33 H new ATOM 0 HD13 ILE B -6 12.063 -11.593 10.358 1.00 13.33 H new ATOM 1980 N PRO B -5 15.796 -13.256 8.020 1.00 41.23 N ATOM 1981 CA PRO B -5 17.050 -13.690 7.397 1.00 2.22 C ATOM 1982 C PRO B -5 18.276 -13.210 8.167 1.00 31.21 C ATOM 1983 O PRO B -5 18.678 -12.052 8.054 1.00 32.22 O ATOM 1984 CB PRO B -5 17.002 -13.041 6.012 1.00 75.04 C ATOM 1985 CG PRO B -5 16.119 -11.853 6.180 1.00 11.25 C ATOM 1986 CD PRO B -5 15.098 -12.239 7.215 1.00 3.21 C ATOM 0 HA PRO B -5 17.137 -14.776 7.371 1.00 2.22 H new ATOM 0 HB2 PRO B -5 17.997 -12.750 5.677 1.00 75.04 H new ATOM 0 HB3 PRO B -5 16.603 -13.729 5.266 1.00 75.04 H new ATOM 0 HG2 PRO B -5 16.692 -10.983 6.502 1.00 11.25 H new ATOM 0 HG3 PRO B -5 15.639 -11.587 5.238 1.00 11.25 H new ATOM 0 HD2 PRO B -5 14.797 -11.384 7.821 1.00 3.21 H new ATOM 0 HD3 PRO B -5 14.194 -12.640 6.757 1.00 3.21 H new ATOM 1994 N SER B -4 18.866 -14.108 8.949 1.00 23.15 N ATOM 1995 CA SER B -4 20.045 -13.775 9.741 1.00 71.10 C ATOM 1996 C SER B -4 21.322 -14.028 8.946 1.00 23.42 C ATOM 1997 O SER B -4 22.429 -13.835 9.450 1.00 13.42 O ATOM 1998 CB SER B -4 20.065 -14.593 11.034 1.00 54.40 C ATOM 1999 OG SER B -4 21.303 -14.451 11.708 1.00 62.11 O ATOM 0 H SER B -4 18.547 -15.072 9.051 1.00 23.15 H new ATOM 0 HA SER B -4 19.997 -12.715 9.991 1.00 71.10 H new ATOM 0 HB2 SER B -4 19.253 -14.269 11.686 1.00 54.40 H new ATOM 0 HB3 SER B -4 19.890 -15.644 10.806 1.00 54.40 H new ATOM 0 HG SER B -4 21.937 -13.976 11.131 1.00 62.11 H new ATOM 2005 N ARG B -3 21.160 -14.463 7.701 1.00 44.23 N ATOM 2006 CA ARG B -3 22.300 -14.744 6.836 1.00 74.34 C ATOM 2007 C ARG B -3 23.270 -13.567 6.814 1.00 0.21 C ATOM 2008 O ARG B -3 22.920 -12.436 7.154 1.00 64.33 O ATOM 2009 CB ARG B -3 21.824 -15.053 5.415 1.00 62.03 C ATOM 2010 CG ARG B -3 21.394 -16.497 5.217 1.00 73.31 C ATOM 2011 CD ARG B -3 22.584 -17.443 5.250 1.00 41.10 C ATOM 2012 NE ARG B -3 22.185 -18.815 5.549 1.00 33.42 N ATOM 2013 CZ ARG B -3 21.800 -19.223 6.754 1.00 65.04 C ATOM 2014 NH1 ARG B -3 21.763 -18.368 7.766 1.00 4.30 N ATOM 2015 NH2 ARG B -3 21.452 -20.489 6.947 1.00 13.41 N ATOM 0 H ARG B -3 20.251 -14.629 7.269 1.00 44.23 H new ATOM 0 HA ARG B -3 22.821 -15.614 7.235 1.00 74.34 H new ATOM 0 HB2 ARG B -3 20.988 -14.397 5.170 1.00 62.03 H new ATOM 0 HB3 ARG B -3 22.626 -14.822 4.714 1.00 62.03 H new ATOM 0 HG2 ARG B -3 20.684 -16.776 5.996 1.00 73.31 H new ATOM 0 HG3 ARG B -3 20.876 -16.596 4.263 1.00 73.31 H new ATOM 0 HD2 ARG B -3 23.095 -17.416 4.288 1.00 41.10 H new ATOM 0 HD3 ARG B -3 23.298 -17.102 6.000 1.00 41.10 H new ATOM 0 HE ARG B -3 22.203 -19.498 4.792 1.00 33.42 H new ATOM 0 HH11 ARG B -3 22.030 -17.394 7.621 1.00 4.30 H new ATOM 0 HH12 ARG B -3 21.467 -18.684 8.690 1.00 4.30 H new ATOM 0 HH21 ARG B -3 21.480 -21.150 6.170 1.00 13.41 H new ATOM 0 HH22 ARG B -3 21.157 -20.801 7.872 1.00 13.41 H new ATOM 2029 N PRO B -2 24.519 -13.836 6.406 1.00 30.40 N ATOM 2030 CA PRO B -2 25.565 -12.813 6.330 1.00 4.45 C ATOM 2031 C PRO B -2 25.312 -11.807 5.213 1.00 45.42 C ATOM 2032 O PRO B -2 25.814 -10.684 5.251 1.00 42.45 O ATOM 2033 CB PRO B -2 26.833 -13.621 6.045 1.00 21.51 C ATOM 2034 CG PRO B -2 26.349 -14.863 5.379 1.00 15.11 C ATOM 2035 CD PRO B -2 25.006 -15.161 5.986 1.00 34.34 C ATOM 0 HA PRO B -2 25.619 -12.218 7.241 1.00 4.45 H new ATOM 0 HB2 PRO B -2 27.518 -13.068 5.402 1.00 21.51 H new ATOM 0 HB3 PRO B -2 27.372 -13.849 6.964 1.00 21.51 H new ATOM 0 HG2 PRO B -2 26.268 -14.722 4.301 1.00 15.11 H new ATOM 0 HG3 PRO B -2 27.042 -15.688 5.541 1.00 15.11 H new ATOM 0 HD2 PRO B -2 24.334 -15.626 5.265 1.00 34.34 H new ATOM 0 HD3 PRO B -2 25.090 -15.845 6.831 1.00 34.34 H new ATOM 2043 N ALA B -1 24.531 -12.217 4.219 1.00 10.13 N ATOM 2044 CA ALA B -1 24.210 -11.350 3.092 1.00 33.22 C ATOM 2045 C ALA B -1 25.458 -11.016 2.283 1.00 24.21 C ATOM 2046 O ALA B -1 26.101 -9.985 2.485 1.00 74.33 O ATOM 2047 CB ALA B -1 23.539 -10.075 3.581 1.00 33.24 C ATOM 0 H ALA B -1 24.109 -13.144 4.171 1.00 10.13 H new ATOM 0 HA ALA B -1 23.519 -11.884 2.440 1.00 33.22 H new ATOM 0 HB1 ALA B -1 23.305 -9.437 2.729 1.00 33.24 H new ATOM 0 HB2 ALA B -1 22.619 -10.327 4.109 1.00 33.24 H new ATOM 0 HB3 ALA B -1 24.211 -9.546 4.256 1.00 33.24 H new ATOM 2053 N PRO B 0 25.813 -11.907 1.346 1.00 72.45 N ATOM 2054 CA PRO B 0 26.988 -11.729 0.487 1.00 13.53 C ATOM 2055 C PRO B 0 26.804 -10.597 -0.518 1.00 43.11 C ATOM 2056 O PRO B 0 25.680 -10.197 -0.820 1.00 52.23 O ATOM 2057 CB PRO B 0 27.107 -13.072 -0.236 1.00 35.40 C ATOM 2058 CG PRO B 0 25.725 -13.629 -0.230 1.00 53.05 C ATOM 2059 CD PRO B 0 25.094 -13.158 1.051 1.00 73.14 C ATOM 0 HA PRO B 0 27.875 -11.459 1.060 1.00 13.53 H new ATOM 0 HB2 PRO B 0 27.477 -12.943 -1.253 1.00 35.40 H new ATOM 0 HB3 PRO B 0 27.804 -13.736 0.275 1.00 35.40 H new ATOM 0 HG2 PRO B 0 25.160 -13.280 -1.094 1.00 53.05 H new ATOM 0 HG3 PRO B 0 25.743 -14.718 -0.279 1.00 53.05 H new ATOM 0 HD2 PRO B 0 24.024 -12.988 0.933 1.00 73.14 H new ATOM 0 HD3 PRO B 0 25.214 -13.889 1.851 1.00 73.14 H new ATOM 2067 N LYS B 1 27.916 -10.084 -1.034 1.00 62.22 N ATOM 2068 CA LYS B 1 27.879 -8.999 -2.008 1.00 21.34 C ATOM 2069 C LYS B 1 27.930 -9.544 -3.432 1.00 14.25 C ATOM 2070 O LYS B 1 28.348 -10.676 -3.674 1.00 74.13 O ATOM 2071 CB LYS B 1 29.048 -8.038 -1.776 1.00 35.50 C ATOM 2072 CG LYS B 1 28.761 -6.973 -0.732 1.00 22.22 C ATOM 2073 CD LYS B 1 30.044 -6.397 -0.156 1.00 62.43 C ATOM 2074 CE LYS B 1 30.701 -5.424 -1.123 1.00 62.21 C ATOM 2075 NZ LYS B 1 32.187 -5.492 -1.054 1.00 2.43 N ATOM 0 H LYS B 1 28.855 -10.402 -0.794 1.00 62.22 H new ATOM 0 HA LYS B 1 26.941 -8.459 -1.878 1.00 21.34 H new ATOM 0 HB2 LYS B 1 29.923 -8.611 -1.468 1.00 35.50 H new ATOM 0 HB3 LYS B 1 29.301 -7.552 -2.718 1.00 35.50 H new ATOM 0 HG2 LYS B 1 28.171 -6.173 -1.179 1.00 22.22 H new ATOM 0 HG3 LYS B 1 28.161 -7.401 0.071 1.00 22.22 H new ATOM 0 HD2 LYS B 1 29.826 -5.888 0.783 1.00 62.43 H new ATOM 0 HD3 LYS B 1 30.737 -7.207 0.074 1.00 62.43 H new ATOM 0 HE2 LYS B 1 30.374 -5.645 -2.139 1.00 62.21 H new ATOM 0 HE3 LYS B 1 30.373 -4.410 -0.896 1.00 62.21 H new ATOM 0 HZ1 LYS B 1 32.597 -4.814 -1.728 1.00 2.43 H new ATOM 0 HZ2 LYS B 1 32.501 -5.256 -0.091 1.00 2.43 H new ATOM 0 HZ3 LYS B 1 32.502 -6.453 -1.295 1.00 2.43 H new ATOM 2089 N PRO B 2 27.495 -8.720 -4.397 1.00 4.02 N ATOM 2090 CA PRO B 2 27.483 -9.097 -5.813 1.00 63.33 C ATOM 2091 C PRO B 2 28.888 -9.201 -6.398 1.00 10.33 C ATOM 2092 O PRO B 2 29.869 -8.755 -5.802 1.00 13.23 O ATOM 2093 CB PRO B 2 26.710 -7.955 -6.478 1.00 24.40 C ATOM 2094 CG PRO B 2 26.902 -6.790 -5.570 1.00 52.33 C ATOM 2095 CD PRO B 2 26.983 -7.356 -4.180 1.00 24.51 C ATOM 0 HA PRO B 2 27.037 -10.079 -5.969 1.00 63.33 H new ATOM 0 HB2 PRO B 2 27.093 -7.746 -7.477 1.00 24.40 H new ATOM 0 HB3 PRO B 2 25.654 -8.202 -6.587 1.00 24.40 H new ATOM 0 HG2 PRO B 2 27.811 -6.244 -5.823 1.00 52.33 H new ATOM 0 HG3 PRO B 2 26.074 -6.087 -5.657 1.00 52.33 H new ATOM 0 HD2 PRO B 2 27.651 -6.772 -3.547 1.00 24.51 H new ATOM 0 HD3 PRO B 2 26.008 -7.365 -3.692 1.00 24.51 H new ATOM 2103 N PRO B 3 28.990 -9.802 -7.592 1.00 60.12 N ATOM 2104 CA PRO B 3 30.271 -9.977 -8.284 1.00 12.04 C ATOM 2105 C PRO B 3 30.841 -8.657 -8.790 1.00 41.41 C ATOM 2106 O PRO B 3 32.048 -8.528 -8.994 1.00 22.41 O ATOM 2107 CB PRO B 3 29.918 -10.893 -9.458 1.00 54.44 C ATOM 2108 CG PRO B 3 28.468 -10.651 -9.705 1.00 4.41 C ATOM 2109 CD PRO B 3 27.863 -10.357 -8.360 1.00 71.41 C ATOM 0 HA PRO B 3 31.038 -10.383 -7.625 1.00 12.04 H new ATOM 0 HB2 PRO B 3 30.515 -10.655 -10.339 1.00 54.44 H new ATOM 0 HB3 PRO B 3 30.109 -11.938 -9.216 1.00 54.44 H new ATOM 0 HG2 PRO B 3 28.323 -9.815 -10.389 1.00 4.41 H new ATOM 0 HG3 PRO B 3 27.999 -11.522 -10.162 1.00 4.41 H new ATOM 0 HD2 PRO B 3 27.040 -9.646 -8.436 1.00 71.41 H new ATOM 0 HD3 PRO B 3 27.464 -11.258 -7.894 1.00 71.41 H new