USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 TYR OH : rot 80:sc= -0.364 USER MOD Set 1.2: A 97 THR OG1 : rot -119:sc= 0.47 USER MOD Single : A 9 SER OG : rot 180:sc= -0.576 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.75) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -3.58! C(o=-3.6!,f=-11!) USER MOD Single : A 38 SER OG : rot 180:sc= -1.34 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 53 THR OG1 : rot -37:sc= 0.748 USER MOD Single : A 54 SER OG : rot -160:sc= -0.615 USER MOD Single : A 57 CYS SG : rot 170:sc= -0.109 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 67 SER OG : rot 95:sc= 0.0739 USER MOD Single : A 69 GLN : amide:sc= -0.0491 X(o=-0.049,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0234 USER MOD Single : A 72 SER OG : rot 180:sc= 0.257 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 30:sc= -0.234 USER MOD Single : A 80 ASN : amide:sc= -0.0929 K(o=-0.093,f=-1.5!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.224 USER MOD Single : A 87 CYS SG : rot -41:sc= 0.956 USER MOD Single : A 89 HIS : +bothHN:sc=0.000105 K(o=0.0001,f=-4!) USER MOD Single : A 90 GLN : amide:sc= -0.586 K(o=-0.59,f=-2!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 9.098 5.011 -7.288 1.00 62.23 N ATOM 64 CA VAL A 7 8.564 5.605 -8.509 1.00 15.55 C ATOM 65 C VAL A 7 9.277 6.910 -8.841 1.00 41.13 C ATOM 66 O VAL A 7 9.811 7.076 -9.939 1.00 60.42 O ATOM 67 CB VAL A 7 7.052 5.874 -8.386 1.00 33.52 C ATOM 68 CG1 VAL A 7 6.499 6.415 -9.695 1.00 61.32 C ATOM 69 CG2 VAL A 7 6.318 4.610 -7.968 1.00 45.44 C ATOM 0 HA VAL A 7 8.733 4.888 -9.312 1.00 15.55 H new ATOM 0 HB VAL A 7 6.896 6.628 -7.614 1.00 33.52 H new ATOM 0 HG11 VAL A 7 5.430 6.599 -9.590 1.00 61.32 H new ATOM 0 HG12 VAL A 7 7.005 7.347 -9.946 1.00 61.32 H new ATOM 0 HG13 VAL A 7 6.665 5.687 -10.489 1.00 61.32 H new ATOM 0 HG21 VAL A 7 5.251 4.819 -7.886 1.00 45.44 H new ATOM 0 HG22 VAL A 7 6.479 3.832 -8.714 1.00 45.44 H new ATOM 0 HG23 VAL A 7 6.697 4.272 -7.003 1.00 45.44 H new ATOM 79 N LEU A 8 9.282 7.836 -7.888 1.00 13.45 N ATOM 80 CA LEU A 8 9.931 9.128 -8.079 1.00 43.15 C ATOM 81 C LEU A 8 11.249 9.195 -7.314 1.00 0.13 C ATOM 82 O LEU A 8 11.382 8.615 -6.236 1.00 41.44 O ATOM 83 CB LEU A 8 9.005 10.257 -7.623 1.00 15.12 C ATOM 84 CG LEU A 8 7.578 10.217 -8.168 1.00 44.33 C ATOM 85 CD1 LEU A 8 6.768 11.387 -7.632 1.00 30.23 C ATOM 86 CD2 LEU A 8 7.587 10.225 -9.690 1.00 61.31 C ATOM 0 H LEU A 8 8.844 7.716 -6.975 1.00 13.45 H new ATOM 0 HA LEU A 8 10.144 9.247 -9.141 1.00 43.15 H new ATOM 0 HB2 LEU A 8 8.957 10.243 -6.534 1.00 15.12 H new ATOM 0 HB3 LEU A 8 9.455 11.207 -7.910 1.00 15.12 H new ATOM 0 HG LEU A 8 7.108 9.293 -7.832 1.00 44.33 H new ATOM 0 HD11 LEU A 8 5.755 11.341 -8.031 1.00 30.23 H new ATOM 0 HD12 LEU A 8 6.732 11.336 -6.544 1.00 30.23 H new ATOM 0 HD13 LEU A 8 7.236 12.323 -7.936 1.00 30.23 H new ATOM 0 HD21 LEU A 8 6.562 10.196 -10.060 1.00 61.31 H new ATOM 0 HD22 LEU A 8 8.076 11.132 -10.046 1.00 61.31 H new ATOM 0 HD23 LEU A 8 8.129 9.353 -10.055 1.00 61.31 H new ATOM 98 N SER A 9 12.219 9.907 -7.878 1.00 21.14 N ATOM 99 CA SER A 9 13.527 10.049 -7.250 1.00 30.04 C ATOM 100 C SER A 9 13.500 11.133 -6.177 1.00 14.35 C ATOM 101 O SER A 9 12.481 11.788 -5.965 1.00 3.21 O ATOM 102 CB SER A 9 14.587 10.382 -8.301 1.00 35.10 C ATOM 103 OG SER A 9 14.788 11.782 -8.396 1.00 53.31 O ATOM 0 H SER A 9 12.124 10.395 -8.769 1.00 21.14 H new ATOM 0 HA SER A 9 13.780 9.100 -6.777 1.00 30.04 H new ATOM 0 HB2 SER A 9 15.526 9.893 -8.042 1.00 35.10 H new ATOM 0 HB3 SER A 9 14.279 9.989 -9.270 1.00 35.10 H new ATOM 0 HG SER A 9 15.471 11.969 -9.073 1.00 53.31 H new ATOM 109 N GLY A 10 14.630 11.316 -5.500 1.00 12.10 N ATOM 110 CA GLY A 10 14.716 12.320 -4.456 1.00 64.21 C ATOM 111 C GLY A 10 14.353 13.705 -4.954 1.00 22.23 C ATOM 112 O GLY A 10 13.633 14.444 -4.283 1.00 72.31 O ATOM 0 H GLY A 10 15.488 10.786 -5.656 1.00 12.10 H new ATOM 0 HA2 GLY A 10 14.051 12.046 -3.637 1.00 64.21 H new ATOM 0 HA3 GLY A 10 15.729 12.336 -4.053 1.00 64.21 H new ATOM 116 N GLY A 11 14.855 14.059 -6.133 1.00 40.45 N ATOM 117 CA GLY A 11 14.570 15.364 -6.699 1.00 64.31 C ATOM 118 C GLY A 11 13.136 15.490 -7.174 1.00 54.04 C ATOM 119 O GLY A 11 12.485 16.508 -6.943 1.00 34.42 O ATOM 0 H GLY A 11 15.454 13.465 -6.706 1.00 40.45 H new ATOM 0 HA2 GLY A 11 14.771 16.132 -5.952 1.00 64.31 H new ATOM 0 HA3 GLY A 11 15.244 15.549 -7.535 1.00 64.31 H new ATOM 123 N GLU A 12 12.644 14.453 -7.845 1.00 25.34 N ATOM 124 CA GLU A 12 11.278 14.454 -8.356 1.00 51.14 C ATOM 125 C GLU A 12 10.268 14.476 -7.212 1.00 51.01 C ATOM 126 O GLU A 12 9.244 15.156 -7.286 1.00 32.13 O ATOM 127 CB GLU A 12 11.039 13.226 -9.237 1.00 42.20 C ATOM 128 CG GLU A 12 12.171 12.947 -10.212 1.00 12.55 C ATOM 129 CD GLU A 12 11.858 11.806 -11.159 1.00 10.31 C ATOM 130 OE1 GLU A 12 11.945 10.636 -10.728 1.00 72.41 O ATOM 131 OE2 GLU A 12 11.525 12.081 -12.330 1.00 51.23 O ATOM 0 H GLU A 12 13.170 13.603 -8.047 1.00 25.34 H new ATOM 0 HA GLU A 12 11.143 15.355 -8.955 1.00 51.14 H new ATOM 0 HB2 GLU A 12 10.897 12.354 -8.599 1.00 42.20 H new ATOM 0 HB3 GLU A 12 10.114 13.365 -9.797 1.00 42.20 H new ATOM 0 HG2 GLU A 12 12.378 13.848 -10.790 1.00 12.55 H new ATOM 0 HG3 GLU A 12 13.077 12.712 -9.653 1.00 12.55 H new ATOM 138 N LEU A 13 10.564 13.728 -6.155 1.00 44.34 N ATOM 139 CA LEU A 13 9.682 13.660 -4.994 1.00 54.32 C ATOM 140 C LEU A 13 9.310 15.058 -4.511 1.00 61.24 C ATOM 141 O LEU A 13 8.151 15.327 -4.192 1.00 35.02 O ATOM 142 CB LEU A 13 10.355 12.880 -3.864 1.00 61.00 C ATOM 143 CG LEU A 13 9.452 12.480 -2.696 1.00 13.40 C ATOM 144 CD1 LEU A 13 8.409 11.471 -3.150 1.00 22.22 C ATOM 145 CD2 LEU A 13 10.281 11.913 -1.552 1.00 32.14 C ATOM 0 H LEU A 13 11.408 13.160 -6.077 1.00 44.34 H new ATOM 0 HA LEU A 13 8.769 13.143 -5.291 1.00 54.32 H new ATOM 0 HB2 LEU A 13 10.794 11.975 -4.285 1.00 61.00 H new ATOM 0 HB3 LEU A 13 11.176 13.481 -3.473 1.00 61.00 H new ATOM 0 HG LEU A 13 8.936 13.371 -2.339 1.00 13.40 H new ATOM 0 HD11 LEU A 13 7.776 11.198 -2.306 1.00 22.22 H new ATOM 0 HD12 LEU A 13 7.796 11.911 -3.937 1.00 22.22 H new ATOM 0 HD13 LEU A 13 8.907 10.580 -3.533 1.00 22.22 H new ATOM 0 HD21 LEU A 13 9.623 11.634 -0.729 1.00 32.14 H new ATOM 0 HD22 LEU A 13 10.824 11.033 -1.897 1.00 32.14 H new ATOM 0 HD23 LEU A 13 10.991 12.666 -1.209 1.00 32.14 H new ATOM 157 N ASP A 14 10.298 15.945 -4.464 1.00 3.02 N ATOM 158 CA ASP A 14 10.073 17.317 -4.024 1.00 42.00 C ATOM 159 C ASP A 14 9.142 18.051 -4.984 1.00 53.31 C ATOM 160 O ASP A 14 8.362 18.910 -4.575 1.00 2.54 O ATOM 161 CB ASP A 14 11.403 18.063 -3.912 1.00 55.13 C ATOM 162 CG ASP A 14 11.706 18.498 -2.492 1.00 12.12 C ATOM 163 OD1 ASP A 14 11.896 17.615 -1.629 1.00 20.22 O ATOM 164 OD2 ASP A 14 11.756 19.721 -2.244 1.00 44.41 O ATOM 0 H ASP A 14 11.262 15.739 -4.725 1.00 3.02 H new ATOM 0 HA ASP A 14 9.600 17.285 -3.043 1.00 42.00 H new ATOM 0 HB2 ASP A 14 12.207 17.421 -4.272 1.00 55.13 H new ATOM 0 HB3 ASP A 14 11.380 18.939 -4.560 1.00 55.13 H new ATOM 169 N LYS A 15 9.232 17.706 -6.265 1.00 30.45 N ATOM 170 CA LYS A 15 8.398 18.331 -7.285 1.00 72.24 C ATOM 171 C LYS A 15 6.995 17.734 -7.283 1.00 52.42 C ATOM 172 O LYS A 15 6.040 18.367 -7.731 1.00 31.34 O ATOM 173 CB LYS A 15 9.035 18.161 -8.666 1.00 71.54 C ATOM 174 CG LYS A 15 8.269 18.858 -9.778 1.00 42.33 C ATOM 175 CD LYS A 15 8.410 20.367 -9.692 1.00 63.34 C ATOM 176 CE LYS A 15 8.780 20.971 -11.038 1.00 51.44 C ATOM 177 NZ LYS A 15 9.694 22.138 -10.891 1.00 63.20 N ATOM 0 H LYS A 15 9.874 16.997 -6.621 1.00 30.45 H new ATOM 0 HA LYS A 15 8.320 19.394 -7.055 1.00 72.24 H new ATOM 0 HB2 LYS A 15 10.053 18.550 -8.638 1.00 71.54 H new ATOM 0 HB3 LYS A 15 9.106 17.098 -8.896 1.00 71.54 H new ATOM 0 HG2 LYS A 15 8.635 18.512 -10.745 1.00 42.33 H new ATOM 0 HG3 LYS A 15 7.215 18.586 -9.720 1.00 42.33 H new ATOM 0 HD2 LYS A 15 7.473 20.801 -9.342 1.00 63.34 H new ATOM 0 HD3 LYS A 15 9.173 20.621 -8.956 1.00 63.34 H new ATOM 0 HE2 LYS A 15 9.257 20.212 -11.658 1.00 51.44 H new ATOM 0 HE3 LYS A 15 7.874 21.283 -11.557 1.00 51.44 H new ATOM 0 HZ1 LYS A 15 9.922 22.521 -11.831 1.00 63.20 H new ATOM 0 HZ2 LYS A 15 9.229 22.873 -10.321 1.00 63.20 H new ATOM 0 HZ3 LYS A 15 10.570 21.836 -10.418 1.00 63.20 H new ATOM 191 N TRP A 16 6.880 16.512 -6.776 1.00 3.21 N ATOM 192 CA TRP A 16 5.592 15.829 -6.714 1.00 45.43 C ATOM 193 C TRP A 16 4.703 16.439 -5.636 1.00 60.21 C ATOM 194 O TRP A 16 3.517 16.677 -5.860 1.00 41.11 O ATOM 195 CB TRP A 16 5.795 14.338 -6.442 1.00 41.23 C ATOM 196 CG TRP A 16 4.520 13.611 -6.133 1.00 32.20 C ATOM 197 CD1 TRP A 16 4.086 13.205 -4.904 1.00 1.42 C ATOM 198 CD2 TRP A 16 3.517 13.205 -7.070 1.00 43.12 C ATOM 199 NE1 TRP A 16 2.873 12.570 -5.019 1.00 50.34 N ATOM 200 CE2 TRP A 16 2.502 12.558 -6.338 1.00 3.32 C ATOM 201 CE3 TRP A 16 3.375 13.326 -8.455 1.00 33.02 C ATOM 202 CZ2 TRP A 16 1.365 12.034 -6.947 1.00 61.02 C ATOM 203 CZ3 TRP A 16 2.247 12.805 -9.057 1.00 63.33 C ATOM 204 CH2 TRP A 16 1.253 12.167 -8.304 1.00 4.21 C ATOM 0 H TRP A 16 7.662 15.974 -6.402 1.00 3.21 H new ATOM 0 HA TRP A 16 5.097 15.951 -7.678 1.00 45.43 H new ATOM 0 HB2 TRP A 16 6.265 13.878 -7.311 1.00 41.23 H new ATOM 0 HB3 TRP A 16 6.484 14.219 -5.606 1.00 41.23 H new ATOM 0 HD1 TRP A 16 4.618 13.360 -3.977 1.00 1.42 H new ATOM 0 HE1 TRP A 16 2.336 12.172 -4.248 1.00 50.34 H new ATOM 0 HE3 TRP A 16 4.134 13.818 -9.044 1.00 33.02 H new ATOM 0 HZ2 TRP A 16 0.598 11.540 -6.369 1.00 61.02 H new ATOM 0 HZ3 TRP A 16 2.129 12.891 -10.127 1.00 63.33 H new ATOM 0 HH2 TRP A 16 0.381 11.772 -8.804 1.00 4.21 H new ATOM 215 N GLU A 17 5.285 16.689 -4.467 1.00 43.01 N ATOM 216 CA GLU A 17 4.543 17.272 -3.355 1.00 41.24 C ATOM 217 C GLU A 17 4.262 18.750 -3.604 1.00 32.44 C ATOM 218 O GLU A 17 3.520 19.388 -2.856 1.00 11.33 O ATOM 219 CB GLU A 17 5.323 17.102 -2.049 1.00 43.24 C ATOM 220 CG GLU A 17 5.306 15.681 -1.511 1.00 64.12 C ATOM 221 CD GLU A 17 5.576 15.619 -0.020 1.00 43.50 C ATOM 222 OE1 GLU A 17 6.679 16.025 0.401 1.00 72.32 O ATOM 223 OE2 GLU A 17 4.684 15.163 0.726 1.00 12.40 O ATOM 0 H GLU A 17 6.266 16.497 -4.266 1.00 43.01 H new ATOM 0 HA GLU A 17 3.591 16.749 -3.272 1.00 41.24 H new ATOM 0 HB2 GLU A 17 6.357 17.408 -2.210 1.00 43.24 H new ATOM 0 HB3 GLU A 17 4.906 17.771 -1.297 1.00 43.24 H new ATOM 0 HG2 GLU A 17 4.337 15.229 -1.720 1.00 64.12 H new ATOM 0 HG3 GLU A 17 6.054 15.088 -2.037 1.00 64.12 H new ATOM 230 N LYS A 18 4.860 19.291 -4.660 1.00 4.12 N ATOM 231 CA LYS A 18 4.675 20.694 -5.010 1.00 33.53 C ATOM 232 C LYS A 18 3.274 20.937 -5.562 1.00 33.41 C ATOM 233 O LYS A 18 2.438 21.561 -4.906 1.00 52.42 O ATOM 234 CB LYS A 18 5.722 21.127 -6.039 1.00 34.43 C ATOM 235 CG LYS A 18 6.116 22.590 -5.927 1.00 3.02 C ATOM 236 CD LYS A 18 7.112 22.816 -4.802 1.00 3.44 C ATOM 237 CE LYS A 18 8.545 22.666 -5.289 1.00 1.15 C ATOM 238 NZ LYS A 18 9.358 23.880 -5.002 1.00 20.44 N ATOM 0 H LYS A 18 5.478 18.778 -5.289 1.00 4.12 H new ATOM 0 HA LYS A 18 4.798 21.287 -4.104 1.00 33.53 H new ATOM 0 HB2 LYS A 18 6.612 20.509 -5.921 1.00 34.43 H new ATOM 0 HB3 LYS A 18 5.334 20.939 -7.040 1.00 34.43 H new ATOM 0 HG2 LYS A 18 6.549 22.924 -6.870 1.00 3.02 H new ATOM 0 HG3 LYS A 18 5.226 23.195 -5.753 1.00 3.02 H new ATOM 0 HD2 LYS A 18 6.971 23.813 -4.384 1.00 3.44 H new ATOM 0 HD3 LYS A 18 6.923 22.104 -3.999 1.00 3.44 H new ATOM 0 HE2 LYS A 18 9.003 21.801 -4.810 1.00 1.15 H new ATOM 0 HE3 LYS A 18 8.546 22.474 -6.362 1.00 1.15 H new ATOM 0 HZ1 LYS A 18 10.328 23.738 -5.349 1.00 20.44 H new ATOM 0 HZ2 LYS A 18 8.936 24.702 -5.480 1.00 20.44 H new ATOM 0 HZ3 LYS A 18 9.379 24.049 -3.976 1.00 20.44 H new ATOM 252 N ILE A 19 3.024 20.441 -6.768 1.00 63.23 N ATOM 253 CA ILE A 19 1.723 20.603 -7.406 1.00 41.31 C ATOM 254 C ILE A 19 0.592 20.266 -6.440 1.00 31.12 C ATOM 255 O ILE A 19 0.748 19.425 -5.555 1.00 20.45 O ATOM 256 CB ILE A 19 1.596 19.715 -8.657 1.00 51.34 C ATOM 257 CG1 ILE A 19 2.752 19.985 -9.621 1.00 74.51 C ATOM 258 CG2 ILE A 19 0.259 19.955 -9.344 1.00 32.50 C ATOM 259 CD1 ILE A 19 3.326 18.731 -10.245 1.00 4.25 C ATOM 0 H ILE A 19 3.705 19.923 -7.324 1.00 63.23 H new ATOM 0 HA ILE A 19 1.645 21.649 -7.703 1.00 41.31 H new ATOM 0 HB ILE A 19 1.642 18.671 -8.349 1.00 51.34 H new ATOM 0 HG12 ILE A 19 2.406 20.649 -10.413 1.00 74.51 H new ATOM 0 HG13 ILE A 19 3.544 20.511 -9.087 1.00 74.51 H new ATOM 0 HG21 ILE A 19 0.184 19.320 -10.227 1.00 32.50 H new ATOM 0 HG22 ILE A 19 -0.552 19.716 -8.656 1.00 32.50 H new ATOM 0 HG23 ILE A 19 0.186 21.001 -9.642 1.00 32.50 H new ATOM 0 HD11 ILE A 19 4.141 18.999 -10.917 1.00 4.25 H new ATOM 0 HD12 ILE A 19 3.703 18.074 -9.461 1.00 4.25 H new ATOM 0 HD13 ILE A 19 2.548 18.215 -10.807 1.00 4.25 H new ATOM 271 N ARG A 20 -0.547 20.928 -6.618 1.00 35.22 N ATOM 272 CA ARG A 20 -1.705 20.699 -5.763 1.00 21.43 C ATOM 273 C ARG A 20 -2.768 19.885 -6.494 1.00 4.42 C ATOM 274 O ARG A 20 -2.769 19.805 -7.723 1.00 71.42 O ATOM 275 CB ARG A 20 -2.297 22.033 -5.301 1.00 14.52 C ATOM 276 CG ARG A 20 -1.417 22.778 -4.310 1.00 62.24 C ATOM 277 CD ARG A 20 -1.647 24.280 -4.383 1.00 42.31 C ATOM 278 NE ARG A 20 -1.283 24.950 -3.138 1.00 44.13 N ATOM 279 CZ ARG A 20 -1.268 26.270 -2.991 1.00 24.12 C ATOM 280 NH1 ARG A 20 -1.596 27.058 -4.006 1.00 43.31 N ATOM 281 NH2 ARG A 20 -0.925 26.805 -1.826 1.00 4.14 N ATOM 0 H ARG A 20 -0.692 21.627 -7.347 1.00 35.22 H new ATOM 0 HA ARG A 20 -1.375 20.134 -4.891 1.00 21.43 H new ATOM 0 HB2 ARG A 20 -2.467 22.667 -6.171 1.00 14.52 H new ATOM 0 HB3 ARG A 20 -3.270 21.851 -4.845 1.00 14.52 H new ATOM 0 HG2 ARG A 20 -1.625 22.425 -3.300 1.00 62.24 H new ATOM 0 HG3 ARG A 20 -0.369 22.558 -4.515 1.00 62.24 H new ATOM 0 HD2 ARG A 20 -1.063 24.697 -5.203 1.00 42.31 H new ATOM 0 HD3 ARG A 20 -2.696 24.476 -4.607 1.00 42.31 H new ATOM 0 HE ARG A 20 -1.026 24.373 -2.337 1.00 44.13 H new ATOM 0 HH11 ARG A 20 -1.861 26.651 -4.903 1.00 43.31 H new ATOM 0 HH12 ARG A 20 -1.583 28.071 -3.890 1.00 43.31 H new ATOM 0 HH21 ARG A 20 -0.673 26.202 -1.043 1.00 4.14 H new ATOM 0 HH22 ARG A 20 -0.914 27.819 -1.714 1.00 4.14 H new ATOM 295 N LEU A 21 -3.671 19.280 -5.730 1.00 51.14 N ATOM 296 CA LEU A 21 -4.740 18.470 -6.305 1.00 22.12 C ATOM 297 C LEU A 21 -5.784 19.350 -6.985 1.00 11.14 C ATOM 298 O LEU A 21 -6.298 19.009 -8.050 1.00 41.31 O ATOM 299 CB LEU A 21 -5.403 17.620 -5.219 1.00 34.13 C ATOM 300 CG LEU A 21 -4.471 16.712 -4.416 1.00 43.22 C ATOM 301 CD1 LEU A 21 -5.104 16.341 -3.085 1.00 5.24 C ATOM 302 CD2 LEU A 21 -4.128 15.461 -5.213 1.00 45.52 C ATOM 0 H LEU A 21 -3.685 19.335 -4.712 1.00 51.14 H new ATOM 0 HA LEU A 21 -4.301 17.813 -7.055 1.00 22.12 H new ATOM 0 HB2 LEU A 21 -5.914 18.287 -4.525 1.00 34.13 H new ATOM 0 HB3 LEU A 21 -6.167 17.000 -5.687 1.00 34.13 H new ATOM 0 HG LEU A 21 -3.548 17.256 -4.217 1.00 43.22 H new ATOM 0 HD11 LEU A 21 -4.426 15.695 -2.527 1.00 5.24 H new ATOM 0 HD12 LEU A 21 -5.298 17.246 -2.509 1.00 5.24 H new ATOM 0 HD13 LEU A 21 -6.043 15.816 -3.262 1.00 5.24 H new ATOM 0 HD21 LEU A 21 -3.464 14.826 -4.626 1.00 45.52 H new ATOM 0 HD22 LEU A 21 -5.042 14.914 -5.443 1.00 45.52 H new ATOM 0 HD23 LEU A 21 -3.632 15.745 -6.141 1.00 45.52 H new ATOM 314 N ARG A 22 -6.090 20.484 -6.363 1.00 64.23 N ATOM 315 CA ARG A 22 -7.071 21.413 -6.910 1.00 24.25 C ATOM 316 C ARG A 22 -6.416 22.739 -7.284 1.00 54.21 C ATOM 317 O ARG A 22 -5.324 23.072 -6.822 1.00 51.43 O ATOM 318 CB ARG A 22 -8.194 21.655 -5.899 1.00 71.51 C ATOM 319 CG ARG A 22 -9.446 20.838 -6.172 1.00 31.04 C ATOM 320 CD ARG A 22 -10.705 21.678 -6.013 1.00 41.52 C ATOM 321 NE ARG A 22 -11.308 21.515 -4.693 1.00 72.21 N ATOM 322 CZ ARG A 22 -12.012 20.448 -4.333 1.00 2.41 C ATOM 323 NH1 ARG A 22 -12.199 19.453 -5.189 1.00 3.41 N ATOM 324 NH2 ARG A 22 -12.529 20.374 -3.114 1.00 4.52 N ATOM 0 H ARG A 22 -5.673 20.781 -5.481 1.00 64.23 H new ATOM 0 HA ARG A 22 -7.491 20.968 -7.812 1.00 24.25 H new ATOM 0 HB2 ARG A 22 -7.828 21.420 -4.899 1.00 71.51 H new ATOM 0 HB3 ARG A 22 -8.453 22.714 -5.903 1.00 71.51 H new ATOM 0 HG2 ARG A 22 -9.404 20.432 -7.183 1.00 31.04 H new ATOM 0 HG3 ARG A 22 -9.484 19.990 -5.489 1.00 31.04 H new ATOM 0 HD2 ARG A 22 -10.463 22.729 -6.174 1.00 41.52 H new ATOM 0 HD3 ARG A 22 -11.428 21.397 -6.779 1.00 41.52 H new ATOM 0 HE ARG A 22 -11.182 22.262 -4.010 1.00 72.21 H new ATOM 0 HH11 ARG A 22 -11.802 19.506 -6.127 1.00 3.41 H new ATOM 0 HH12 ARG A 22 -12.740 18.635 -4.910 1.00 3.41 H new ATOM 0 HH21 ARG A 22 -12.386 21.137 -2.452 1.00 4.52 H new ATOM 0 HH22 ARG A 22 -13.070 19.554 -2.838 1.00 4.52 H new ATOM 338 N PRO A 23 -7.095 23.515 -8.142 1.00 44.31 N ATOM 339 CA PRO A 23 -6.597 24.816 -8.598 1.00 2.12 C ATOM 340 C PRO A 23 -6.610 25.863 -7.488 1.00 45.35 C ATOM 341 O PRO A 23 -5.661 26.629 -7.333 1.00 20.01 O ATOM 342 CB PRO A 23 -7.578 25.202 -9.708 1.00 72.50 C ATOM 343 CG PRO A 23 -8.833 24.470 -9.377 1.00 31.24 C ATOM 344 CD PRO A 23 -8.403 23.182 -8.732 1.00 51.51 C ATOM 0 HA PRO A 23 -5.559 24.763 -8.927 1.00 2.12 H new ATOM 0 HB2 PRO A 23 -7.743 26.279 -9.733 1.00 72.50 H new ATOM 0 HB3 PRO A 23 -7.199 24.914 -10.689 1.00 72.50 H new ATOM 0 HG2 PRO A 23 -9.459 25.054 -8.703 1.00 31.24 H new ATOM 0 HG3 PRO A 23 -9.422 24.280 -10.274 1.00 31.24 H new ATOM 0 HD2 PRO A 23 -9.114 22.856 -7.973 1.00 51.51 H new ATOM 0 HD3 PRO A 23 -8.321 22.375 -9.461 1.00 51.51 H new ATOM 352 N GLY A 24 -7.693 25.888 -6.717 1.00 63.44 N ATOM 353 CA GLY A 24 -7.809 26.844 -5.632 1.00 62.13 C ATOM 354 C GLY A 24 -7.822 26.177 -4.271 1.00 35.22 C ATOM 355 O GLY A 24 -8.611 26.543 -3.400 1.00 40.32 O ATOM 0 H GLY A 24 -8.492 25.263 -6.825 1.00 63.44 H new ATOM 0 HA2 GLY A 24 -6.977 27.547 -5.681 1.00 62.13 H new ATOM 0 HA3 GLY A 24 -8.724 27.423 -5.758 1.00 62.13 H new ATOM 359 N GLY A 25 -6.946 25.195 -4.087 1.00 10.23 N ATOM 360 CA GLY A 25 -6.878 24.490 -2.820 1.00 11.12 C ATOM 361 C GLY A 25 -5.574 24.738 -2.087 1.00 61.25 C ATOM 362 O GLY A 25 -4.655 25.352 -2.630 1.00 42.52 O ATOM 0 H GLY A 25 -6.282 24.875 -4.792 1.00 10.23 H new ATOM 0 HA2 GLY A 25 -7.711 24.802 -2.189 1.00 11.12 H new ATOM 0 HA3 GLY A 25 -6.994 23.421 -2.996 1.00 11.12 H new ATOM 366 N LYS A 26 -5.493 24.264 -0.849 1.00 11.32 N ATOM 367 CA LYS A 26 -4.293 24.438 -0.039 1.00 45.54 C ATOM 368 C LYS A 26 -3.603 23.099 0.207 1.00 65.41 C ATOM 369 O LYS A 26 -2.592 23.029 0.905 1.00 74.12 O ATOM 370 CB LYS A 26 -4.646 25.094 1.298 1.00 74.34 C ATOM 371 CG LYS A 26 -5.266 24.138 2.300 1.00 15.33 C ATOM 372 CD LYS A 26 -6.285 24.838 3.183 1.00 12.24 C ATOM 373 CE LYS A 26 -5.631 25.442 4.417 1.00 63.31 C ATOM 374 NZ LYS A 26 -5.619 26.930 4.366 1.00 63.45 N ATOM 0 H LYS A 26 -6.245 23.756 -0.384 1.00 11.32 H new ATOM 0 HA LYS A 26 -3.607 25.086 -0.585 1.00 45.54 H new ATOM 0 HB2 LYS A 26 -3.743 25.525 1.731 1.00 74.34 H new ATOM 0 HB3 LYS A 26 -5.338 25.917 1.118 1.00 74.34 H new ATOM 0 HG2 LYS A 26 -5.747 23.316 1.770 1.00 15.33 H new ATOM 0 HG3 LYS A 26 -4.483 23.703 2.921 1.00 15.33 H new ATOM 0 HD2 LYS A 26 -6.784 25.622 2.614 1.00 12.24 H new ATOM 0 HD3 LYS A 26 -7.053 24.127 3.488 1.00 12.24 H new ATOM 0 HE2 LYS A 26 -6.165 25.113 5.309 1.00 63.31 H new ATOM 0 HE3 LYS A 26 -4.609 25.073 4.504 1.00 63.31 H new ATOM 0 HZ1 LYS A 26 -5.165 27.303 5.224 1.00 63.45 H new ATOM 0 HZ2 LYS A 26 -5.088 27.244 3.529 1.00 63.45 H new ATOM 0 HZ3 LYS A 26 -6.595 27.283 4.309 1.00 63.45 H new ATOM 388 N LYS A 27 -4.157 22.039 -0.373 1.00 22.23 N ATOM 389 CA LYS A 27 -3.594 20.703 -0.219 1.00 51.32 C ATOM 390 C LYS A 27 -2.681 20.359 -1.393 1.00 44.50 C ATOM 391 O LYS A 27 -2.987 20.678 -2.542 1.00 20.23 O ATOM 392 CB LYS A 27 -4.714 19.665 -0.109 1.00 51.43 C ATOM 393 CG LYS A 27 -5.662 19.914 1.051 1.00 72.41 C ATOM 394 CD LYS A 27 -6.218 18.614 1.605 1.00 3.12 C ATOM 395 CE LYS A 27 -6.899 18.827 2.949 1.00 61.42 C ATOM 396 NZ LYS A 27 -7.605 17.600 3.414 1.00 74.34 N ATOM 0 H LYS A 27 -4.995 22.080 -0.954 1.00 22.23 H new ATOM 0 HA LYS A 27 -3.002 20.688 0.696 1.00 51.32 H new ATOM 0 HB2 LYS A 27 -5.284 19.658 -1.038 1.00 51.43 H new ATOM 0 HB3 LYS A 27 -4.271 18.675 0.001 1.00 51.43 H new ATOM 0 HG2 LYS A 27 -5.138 20.453 1.841 1.00 72.41 H new ATOM 0 HG3 LYS A 27 -6.483 20.551 0.721 1.00 72.41 H new ATOM 0 HD2 LYS A 27 -6.931 18.191 0.897 1.00 3.12 H new ATOM 0 HD3 LYS A 27 -5.411 17.890 1.715 1.00 3.12 H new ATOM 0 HE2 LYS A 27 -6.156 19.121 3.690 1.00 61.42 H new ATOM 0 HE3 LYS A 27 -7.612 19.648 2.869 1.00 61.42 H new ATOM 0 HZ1 LYS A 27 -8.056 17.786 4.333 1.00 74.34 H new ATOM 0 HZ2 LYS A 27 -8.332 17.333 2.719 1.00 74.34 H new ATOM 0 HZ3 LYS A 27 -6.921 16.823 3.515 1.00 74.34 H new ATOM 410 N GLN A 28 -1.563 19.705 -1.095 1.00 1.31 N ATOM 411 CA GLN A 28 -0.608 19.317 -2.126 1.00 20.21 C ATOM 412 C GLN A 28 -0.674 17.817 -2.392 1.00 55.23 C ATOM 413 O GLN A 28 -1.502 17.110 -1.818 1.00 73.12 O ATOM 414 CB GLN A 28 0.810 19.712 -1.711 1.00 73.51 C ATOM 415 CG GLN A 28 0.862 20.935 -0.808 1.00 43.33 C ATOM 416 CD GLN A 28 0.816 20.574 0.663 1.00 34.22 C ATOM 417 OE1 GLN A 28 -0.181 20.817 1.344 1.00 52.20 O ATOM 418 NE2 GLN A 28 1.900 19.993 1.165 1.00 52.43 N ATOM 0 H GLN A 28 -1.296 19.433 -0.149 1.00 1.31 H new ATOM 0 HA GLN A 28 -0.870 19.842 -3.045 1.00 20.21 H new ATOM 0 HB2 GLN A 28 1.277 18.871 -1.197 1.00 73.51 H new ATOM 0 HB3 GLN A 28 1.401 19.906 -2.606 1.00 73.51 H new ATOM 0 HG2 GLN A 28 1.774 21.495 -1.013 1.00 43.33 H new ATOM 0 HG3 GLN A 28 0.025 21.592 -1.044 1.00 43.33 H new ATOM 0 HE21 GLN A 28 2.704 19.810 0.565 1.00 52.43 H new ATOM 0 HE22 GLN A 28 1.928 19.730 2.150 1.00 52.43 H new ATOM 427 N TYR A 29 0.205 17.338 -3.266 1.00 14.40 N ATOM 428 CA TYR A 29 0.245 15.922 -3.610 1.00 51.03 C ATOM 429 C TYR A 29 1.115 15.146 -2.626 1.00 14.43 C ATOM 430 O TYR A 29 2.116 15.659 -2.124 1.00 24.15 O ATOM 431 CB TYR A 29 0.776 15.736 -5.033 1.00 70.24 C ATOM 432 CG TYR A 29 -0.309 15.487 -6.056 1.00 70.13 C ATOM 433 CD1 TYR A 29 -0.928 14.246 -6.153 1.00 73.50 C ATOM 434 CD2 TYR A 29 -0.713 16.491 -6.927 1.00 5.23 C ATOM 435 CE1 TYR A 29 -1.918 14.014 -7.087 1.00 4.11 C ATOM 436 CE2 TYR A 29 -1.705 16.268 -7.862 1.00 44.22 C ATOM 437 CZ TYR A 29 -2.304 15.028 -7.939 1.00 45.33 C ATOM 438 OH TYR A 29 -3.291 14.801 -8.871 1.00 72.01 O ATOM 0 H TYR A 29 0.899 17.909 -3.749 1.00 14.40 H new ATOM 0 HA TYR A 29 -0.771 15.532 -3.554 1.00 51.03 H new ATOM 0 HB2 TYR A 29 1.338 16.624 -5.321 1.00 70.24 H new ATOM 0 HB3 TYR A 29 1.474 14.899 -5.045 1.00 70.24 H new ATOM 0 HD1 TYR A 29 -0.630 13.450 -5.487 1.00 73.50 H new ATOM 0 HD2 TYR A 29 -0.244 17.462 -6.872 1.00 5.23 H new ATOM 0 HE1 TYR A 29 -2.388 13.044 -7.150 1.00 4.11 H new ATOM 0 HE2 TYR A 29 -2.010 17.061 -8.529 1.00 44.22 H new ATOM 0 HH TYR A 29 -4.169 14.861 -8.439 1.00 72.01 H new ATOM 448 N LYS A 30 0.727 13.905 -2.355 1.00 10.15 N ATOM 449 CA LYS A 30 1.471 13.054 -1.432 1.00 22.52 C ATOM 450 C LYS A 30 1.502 11.612 -1.927 1.00 33.31 C ATOM 451 O LYS A 30 0.777 11.247 -2.853 1.00 1.13 O ATOM 452 CB LYS A 30 0.846 13.112 -0.036 1.00 63.33 C ATOM 453 CG LYS A 30 1.339 14.278 0.803 1.00 33.44 C ATOM 454 CD LYS A 30 1.523 13.879 2.258 1.00 31.41 C ATOM 455 CE LYS A 30 1.727 15.097 3.148 1.00 54.30 C ATOM 456 NZ LYS A 30 1.156 14.890 4.507 1.00 34.45 N ATOM 0 H LYS A 30 -0.099 13.465 -2.761 1.00 10.15 H new ATOM 0 HA LYS A 30 2.495 13.424 -1.381 1.00 22.52 H new ATOM 0 HB2 LYS A 30 -0.237 13.179 -0.135 1.00 63.33 H new ATOM 0 HB3 LYS A 30 1.062 12.181 0.488 1.00 63.33 H new ATOM 0 HG2 LYS A 30 2.285 14.642 0.402 1.00 33.44 H new ATOM 0 HG3 LYS A 30 0.627 15.101 0.738 1.00 33.44 H new ATOM 0 HD2 LYS A 30 0.650 13.321 2.597 1.00 31.41 H new ATOM 0 HD3 LYS A 30 2.381 13.213 2.348 1.00 31.41 H new ATOM 0 HE2 LYS A 30 2.792 15.313 3.230 1.00 54.30 H new ATOM 0 HE3 LYS A 30 1.260 15.967 2.686 1.00 54.30 H new ATOM 0 HZ1 LYS A 30 1.315 15.741 5.083 1.00 34.45 H new ATOM 0 HZ2 LYS A 30 0.135 14.709 4.431 1.00 34.45 H new ATOM 0 HZ3 LYS A 30 1.619 14.075 4.958 1.00 34.45 H new ATOM 470 N LEU A 31 2.345 10.797 -1.303 1.00 50.54 N ATOM 471 CA LEU A 31 2.469 9.393 -1.679 1.00 54.52 C ATOM 472 C LEU A 31 1.101 8.723 -1.750 1.00 21.14 C ATOM 473 O LEU A 31 0.848 7.891 -2.620 1.00 12.21 O ATOM 474 CB LEU A 31 3.361 8.653 -0.679 1.00 62.12 C ATOM 475 CG LEU A 31 4.783 8.345 -1.147 1.00 4.13 C ATOM 476 CD1 LEU A 31 4.759 7.447 -2.374 1.00 53.02 C ATOM 477 CD2 LEU A 31 5.538 9.633 -1.441 1.00 60.43 C ATOM 0 H LEU A 31 2.952 11.084 -0.535 1.00 50.54 H new ATOM 0 HA LEU A 31 2.926 9.348 -2.668 1.00 54.52 H new ATOM 0 HB2 LEU A 31 3.421 9.247 0.233 1.00 62.12 H new ATOM 0 HB3 LEU A 31 2.875 7.713 -0.416 1.00 62.12 H new ATOM 0 HG LEU A 31 5.302 7.817 -0.347 1.00 4.13 H new ATOM 0 HD11 LEU A 31 5.780 7.239 -2.692 1.00 53.02 H new ATOM 0 HD12 LEU A 31 4.257 6.511 -2.130 1.00 53.02 H new ATOM 0 HD13 LEU A 31 4.222 7.947 -3.180 1.00 53.02 H new ATOM 0 HD21 LEU A 31 6.549 9.395 -1.773 1.00 60.43 H new ATOM 0 HD22 LEU A 31 5.020 10.188 -2.224 1.00 60.43 H new ATOM 0 HD23 LEU A 31 5.587 10.241 -0.537 1.00 60.43 H new ATOM 489 N LYS A 32 0.219 9.095 -0.828 1.00 4.54 N ATOM 490 CA LYS A 32 -1.126 8.535 -0.785 1.00 45.31 C ATOM 491 C LYS A 32 -1.747 8.503 -2.178 1.00 43.24 C ATOM 492 O LYS A 32 -2.541 7.616 -2.496 1.00 75.53 O ATOM 493 CB LYS A 32 -2.012 9.351 0.159 1.00 1.15 C ATOM 494 CG LYS A 32 -2.152 8.738 1.543 1.00 54.03 C ATOM 495 CD LYS A 32 -2.806 9.704 2.517 1.00 43.21 C ATOM 496 CE LYS A 32 -3.736 8.980 3.479 1.00 54.34 C ATOM 497 NZ LYS A 32 -3.053 8.641 4.759 1.00 65.01 N ATOM 0 H LYS A 32 0.412 9.783 -0.100 1.00 4.54 H new ATOM 0 HA LYS A 32 -1.054 7.513 -0.413 1.00 45.31 H new ATOM 0 HB2 LYS A 32 -1.598 10.355 0.255 1.00 1.15 H new ATOM 0 HB3 LYS A 32 -3.002 9.456 -0.285 1.00 1.15 H new ATOM 0 HG2 LYS A 32 -2.746 7.826 1.480 1.00 54.03 H new ATOM 0 HG3 LYS A 32 -1.169 8.453 1.917 1.00 54.03 H new ATOM 0 HD2 LYS A 32 -2.036 10.231 3.081 1.00 43.21 H new ATOM 0 HD3 LYS A 32 -3.367 10.457 1.963 1.00 43.21 H new ATOM 0 HE2 LYS A 32 -4.605 9.606 3.685 1.00 54.34 H new ATOM 0 HE3 LYS A 32 -4.104 8.067 3.011 1.00 54.34 H new ATOM 0 HZ1 LYS A 32 -3.719 8.149 5.388 1.00 65.01 H new ATOM 0 HZ2 LYS A 32 -2.239 8.023 4.565 1.00 65.01 H new ATOM 0 HZ3 LYS A 32 -2.724 9.514 5.219 1.00 65.01 H new ATOM 511 N HIS A 33 -1.379 9.474 -3.007 1.00 72.23 N ATOM 512 CA HIS A 33 -1.897 9.557 -4.369 1.00 0.12 C ATOM 513 C HIS A 33 -1.165 8.583 -5.288 1.00 21.21 C ATOM 514 O HIS A 33 -1.838 7.980 -6.124 1.00 5.21 O ATOM 515 CB HIS A 33 -1.760 10.982 -4.904 1.00 51.35 C ATOM 516 CG HIS A 33 -2.483 12.003 -4.082 1.00 24.22 C ATOM 517 ND1 HIS A 33 -1.836 12.979 -3.353 1.00 63.24 N ATOM 518 CD2 HIS A 33 -3.807 12.198 -3.874 1.00 43.22 C ATOM 519 CE1 HIS A 33 -2.731 13.728 -2.733 1.00 35.51 C ATOM 520 NE2 HIS A 33 -3.935 13.275 -3.034 1.00 1.24 N ATOM 0 H HIS A 33 -0.723 10.215 -2.760 1.00 72.23 H new ATOM 0 HA HIS A 33 -2.953 9.286 -4.347 1.00 0.12 H new ATOM 0 HB2 HIS A 33 -0.703 11.245 -4.947 1.00 51.35 H new ATOM 0 HB3 HIS A 33 -2.139 11.016 -5.925 1.00 51.35 H new ATOM 0 HD2 HIS A 33 -4.613 11.614 -4.292 1.00 43.22 H new ATOM 0 HE1 HIS A 33 -2.515 14.568 -2.089 1.00 35.51 H new ATOM 0 HE2 HIS A 33 -4.816 13.663 -2.697 1.00 1.24 H new ATOM 528 N ILE A 34 0.148 8.419 -5.161 1.00 31.31 N ATOM 529 CA ILE A 34 0.889 7.500 -6.015 1.00 32.15 C ATOM 530 C ILE A 34 0.614 6.050 -5.631 1.00 32.23 C ATOM 531 O ILE A 34 0.128 5.263 -6.443 1.00 24.32 O ATOM 532 CB ILE A 34 2.406 7.761 -5.941 1.00 25.55 C ATOM 533 CG1 ILE A 34 2.702 9.243 -6.176 1.00 62.23 C ATOM 534 CG2 ILE A 34 3.142 6.899 -6.956 1.00 22.22 C ATOM 535 CD1 ILE A 34 4.146 9.618 -5.925 1.00 23.41 C ATOM 0 H ILE A 34 0.720 8.911 -4.475 1.00 31.31 H new ATOM 0 HA ILE A 34 0.549 7.674 -7.036 1.00 32.15 H new ATOM 0 HB ILE A 34 2.758 7.494 -4.945 1.00 25.55 H new ATOM 0 HG12 ILE A 34 2.442 9.499 -7.203 1.00 62.23 H new ATOM 0 HG13 ILE A 34 2.062 9.840 -5.527 1.00 62.23 H new ATOM 0 HG21 ILE A 34 4.212 7.095 -6.892 1.00 22.22 H new ATOM 0 HG22 ILE A 34 2.952 5.847 -6.745 1.00 22.22 H new ATOM 0 HG23 ILE A 34 2.789 7.137 -7.959 1.00 22.22 H new ATOM 0 HD11 ILE A 34 4.283 10.683 -6.111 1.00 23.41 H new ATOM 0 HD12 ILE A 34 4.405 9.394 -4.890 1.00 23.41 H new ATOM 0 HD13 ILE A 34 4.791 9.047 -6.593 1.00 23.41 H new ATOM 547 N VAL A 35 0.929 5.704 -4.386 1.00 64.23 N ATOM 548 CA VAL A 35 0.714 4.349 -3.893 1.00 63.12 C ATOM 549 C VAL A 35 -0.662 3.830 -4.296 1.00 0.40 C ATOM 550 O VAL A 35 -0.824 2.649 -4.608 1.00 63.53 O ATOM 551 CB VAL A 35 0.846 4.283 -2.360 1.00 4.11 C ATOM 552 CG1 VAL A 35 0.604 2.865 -1.864 1.00 40.21 C ATOM 553 CG2 VAL A 35 2.214 4.783 -1.922 1.00 25.04 C ATOM 0 H VAL A 35 1.333 6.343 -3.702 1.00 64.23 H new ATOM 0 HA VAL A 35 1.483 3.722 -4.344 1.00 63.12 H new ATOM 0 HB VAL A 35 0.089 4.931 -1.919 1.00 4.11 H new ATOM 0 HG11 VAL A 35 0.701 2.838 -0.779 1.00 40.21 H new ATOM 0 HG12 VAL A 35 -0.400 2.547 -2.146 1.00 40.21 H new ATOM 0 HG13 VAL A 35 1.337 2.193 -2.311 1.00 40.21 H new ATOM 0 HG21 VAL A 35 2.290 4.730 -0.836 1.00 25.04 H new ATOM 0 HG22 VAL A 35 2.989 4.162 -2.371 1.00 25.04 H new ATOM 0 HG23 VAL A 35 2.344 5.816 -2.244 1.00 25.04 H new ATOM 563 N TRP A 36 -1.649 4.717 -4.288 1.00 23.25 N ATOM 564 CA TRP A 36 -3.012 4.349 -4.654 1.00 3.45 C ATOM 565 C TRP A 36 -3.080 3.886 -6.105 1.00 42.51 C ATOM 566 O TRP A 36 -3.637 2.830 -6.404 1.00 31.22 O ATOM 567 CB TRP A 36 -3.958 5.531 -4.437 1.00 30.12 C ATOM 568 CG TRP A 36 -5.365 5.254 -4.875 1.00 15.42 C ATOM 569 CD1 TRP A 36 -6.249 4.391 -4.294 1.00 54.12 C ATOM 570 CD2 TRP A 36 -6.047 5.842 -5.988 1.00 63.42 C ATOM 571 NE1 TRP A 36 -7.441 4.406 -4.979 1.00 34.15 N ATOM 572 CE2 TRP A 36 -7.343 5.289 -6.021 1.00 75.22 C ATOM 573 CE3 TRP A 36 -5.691 6.783 -6.958 1.00 34.13 C ATOM 574 CZ2 TRP A 36 -8.279 5.646 -6.988 1.00 34.32 C ATOM 575 CZ3 TRP A 36 -6.621 7.136 -7.916 1.00 43.10 C ATOM 576 CH2 TRP A 36 -7.903 6.570 -7.926 1.00 31.24 C ATOM 0 H TRP A 36 -1.532 5.697 -4.032 1.00 23.25 H new ATOM 0 HA TRP A 36 -3.323 3.523 -4.014 1.00 3.45 H new ATOM 0 HB2 TRP A 36 -3.960 5.796 -3.380 1.00 30.12 H new ATOM 0 HB3 TRP A 36 -3.579 6.395 -4.982 1.00 30.12 H new ATOM 0 HD1 TRP A 36 -6.042 3.785 -3.424 1.00 54.12 H new ATOM 0 HE1 TRP A 36 -8.264 3.850 -4.749 1.00 34.15 H new ATOM 0 HE3 TRP A 36 -4.706 7.226 -6.958 1.00 34.13 H new ATOM 0 HZ2 TRP A 36 -9.267 5.210 -6.998 1.00 34.32 H new ATOM 0 HZ3 TRP A 36 -6.356 7.861 -8.671 1.00 43.10 H new ATOM 0 HH2 TRP A 36 -8.608 6.868 -8.688 1.00 31.24 H new ATOM 587 N ALA A 37 -2.510 4.682 -7.002 1.00 71.44 N ATOM 588 CA ALA A 37 -2.504 4.352 -8.423 1.00 21.43 C ATOM 589 C ALA A 37 -1.700 3.085 -8.688 1.00 21.13 C ATOM 590 O ALA A 37 -2.129 2.214 -9.444 1.00 55.43 O ATOM 591 CB ALA A 37 -1.945 5.514 -9.231 1.00 65.24 C ATOM 0 H ALA A 37 -2.046 5.560 -6.771 1.00 71.44 H new ATOM 0 HA ALA A 37 -3.533 4.169 -8.734 1.00 21.43 H new ATOM 0 HB1 ALA A 37 -1.946 5.255 -10.290 1.00 65.24 H new ATOM 0 HB2 ALA A 37 -2.563 6.398 -9.073 1.00 65.24 H new ATOM 0 HB3 ALA A 37 -0.925 5.723 -8.910 1.00 65.24 H new ATOM 597 N SER A 38 -0.531 2.989 -8.062 1.00 61.43 N ATOM 598 CA SER A 38 0.336 1.830 -8.235 1.00 52.44 C ATOM 599 C SER A 38 -0.380 0.549 -7.819 1.00 25.22 C ATOM 600 O SER A 38 -0.176 -0.511 -8.411 1.00 13.30 O ATOM 601 CB SER A 38 1.619 1.998 -7.419 1.00 64.22 C ATOM 602 OG SER A 38 2.647 2.584 -8.200 1.00 0.41 O ATOM 0 H SER A 38 -0.163 3.700 -7.430 1.00 61.43 H new ATOM 0 HA SER A 38 0.594 1.756 -9.292 1.00 52.44 H new ATOM 0 HB2 SER A 38 1.420 2.621 -6.547 1.00 64.22 H new ATOM 0 HB3 SER A 38 1.948 1.027 -7.049 1.00 64.22 H new ATOM 0 HG SER A 38 3.456 2.682 -7.655 1.00 0.41 H new ATOM 608 N ARG A 39 -1.221 0.656 -6.795 1.00 40.32 N ATOM 609 CA ARG A 39 -1.968 -0.494 -6.297 1.00 63.04 C ATOM 610 C ARG A 39 -3.142 -0.819 -7.216 1.00 21.12 C ATOM 611 O ARG A 39 -3.767 -1.872 -7.091 1.00 11.13 O ATOM 612 CB ARG A 39 -2.475 -0.224 -4.879 1.00 64.25 C ATOM 613 CG ARG A 39 -3.275 -1.374 -4.289 1.00 61.53 C ATOM 614 CD ARG A 39 -3.645 -1.108 -2.838 1.00 61.12 C ATOM 615 NE ARG A 39 -4.790 -0.209 -2.721 1.00 4.40 N ATOM 616 CZ ARG A 39 -5.203 0.308 -1.570 1.00 64.33 C ATOM 617 NH1 ARG A 39 -4.570 0.017 -0.443 1.00 14.10 N ATOM 618 NH2 ARG A 39 -6.254 1.119 -1.545 1.00 2.24 N ATOM 0 H ARG A 39 -1.402 1.526 -6.294 1.00 40.32 H new ATOM 0 HA ARG A 39 -1.296 -1.352 -6.278 1.00 63.04 H new ATOM 0 HB2 ARG A 39 -1.623 -0.015 -4.231 1.00 64.25 H new ATOM 0 HB3 ARG A 39 -3.096 0.672 -4.889 1.00 64.25 H new ATOM 0 HG2 ARG A 39 -4.181 -1.526 -4.875 1.00 61.53 H new ATOM 0 HG3 ARG A 39 -2.694 -2.294 -4.355 1.00 61.53 H new ATOM 0 HD2 ARG A 39 -3.873 -2.052 -2.343 1.00 61.12 H new ATOM 0 HD3 ARG A 39 -2.790 -0.675 -2.319 1.00 61.12 H new ATOM 0 HE ARG A 39 -5.300 0.035 -3.570 1.00 4.40 H new ATOM 0 HH11 ARG A 39 -3.763 -0.606 -0.458 1.00 14.10 H new ATOM 0 HH12 ARG A 39 -4.890 0.416 0.439 1.00 14.10 H new ATOM 0 HH21 ARG A 39 -6.744 1.345 -2.410 1.00 2.24 H new ATOM 0 HH22 ARG A 39 -6.571 1.516 -0.660 1.00 2.24 H new ATOM 632 N GLU A 40 -3.435 0.092 -8.139 1.00 52.31 N ATOM 633 CA GLU A 40 -4.534 -0.099 -9.077 1.00 65.40 C ATOM 634 C GLU A 40 -4.056 -0.811 -10.338 1.00 75.45 C ATOM 635 O GLU A 40 -4.650 -1.799 -10.772 1.00 23.13 O ATOM 636 CB GLU A 40 -5.160 1.249 -9.445 1.00 13.24 C ATOM 637 CG GLU A 40 -6.663 1.184 -9.658 1.00 71.13 C ATOM 638 CD GLU A 40 -7.418 0.849 -8.386 1.00 42.45 C ATOM 639 OE1 GLU A 40 -7.339 1.638 -7.422 1.00 71.25 O ATOM 640 OE2 GLU A 40 -8.090 -0.204 -8.357 1.00 32.10 O ATOM 0 H GLU A 40 -2.927 0.969 -8.257 1.00 52.31 H new ATOM 0 HA GLU A 40 -5.287 -0.721 -8.593 1.00 65.40 H new ATOM 0 HB2 GLU A 40 -4.944 1.968 -8.655 1.00 13.24 H new ATOM 0 HB3 GLU A 40 -4.689 1.623 -10.354 1.00 13.24 H new ATOM 0 HG2 GLU A 40 -7.014 2.142 -10.043 1.00 71.13 H new ATOM 0 HG3 GLU A 40 -6.887 0.434 -10.417 1.00 71.13 H new ATOM 647 N LEU A 41 -2.978 -0.302 -10.925 1.00 31.31 N ATOM 648 CA LEU A 41 -2.418 -0.888 -12.138 1.00 41.13 C ATOM 649 C LEU A 41 -2.186 -2.386 -11.962 1.00 62.02 C ATOM 650 O LEU A 41 -2.369 -3.166 -12.896 1.00 23.30 O ATOM 651 CB LEU A 41 -1.103 -0.196 -12.503 1.00 4.13 C ATOM 652 CG LEU A 41 -1.222 1.239 -13.018 1.00 71.14 C ATOM 653 CD1 LEU A 41 0.149 1.790 -13.381 1.00 51.50 C ATOM 654 CD2 LEU A 41 -2.157 1.300 -14.217 1.00 44.25 C ATOM 0 H LEU A 41 -2.474 0.515 -10.580 1.00 31.31 H new ATOM 0 HA LEU A 41 -3.134 -0.742 -12.946 1.00 41.13 H new ATOM 0 HB2 LEU A 41 -0.460 -0.193 -11.623 1.00 4.13 H new ATOM 0 HB3 LEU A 41 -0.600 -0.793 -13.263 1.00 4.13 H new ATOM 0 HG LEU A 41 -1.642 1.856 -12.224 1.00 71.14 H new ATOM 0 HD11 LEU A 41 0.046 2.812 -13.746 1.00 51.50 H new ATOM 0 HD12 LEU A 41 0.789 1.782 -12.499 1.00 51.50 H new ATOM 0 HD13 LEU A 41 0.596 1.171 -14.159 1.00 51.50 H new ATOM 0 HD21 LEU A 41 -2.229 2.329 -14.570 1.00 44.25 H new ATOM 0 HD22 LEU A 41 -1.766 0.669 -15.015 1.00 44.25 H new ATOM 0 HD23 LEU A 41 -3.146 0.946 -13.926 1.00 44.25 H new ATOM 666 N GLU A 42 -1.782 -2.779 -10.758 1.00 3.11 N ATOM 667 CA GLU A 42 -1.527 -4.184 -10.460 1.00 33.52 C ATOM 668 C GLU A 42 -2.751 -5.038 -10.776 1.00 24.02 C ATOM 669 O GLU A 42 -2.628 -6.213 -11.125 1.00 71.31 O ATOM 670 CB GLU A 42 -1.138 -4.353 -8.990 1.00 41.33 C ATOM 671 CG GLU A 42 -0.711 -5.767 -8.633 1.00 30.01 C ATOM 672 CD GLU A 42 0.433 -5.797 -7.639 1.00 50.33 C ATOM 673 OE1 GLU A 42 1.601 -5.753 -8.078 1.00 74.03 O ATOM 674 OE2 GLU A 42 0.161 -5.867 -6.422 1.00 70.45 O ATOM 0 H GLU A 42 -1.624 -2.146 -9.974 1.00 3.11 H new ATOM 0 HA GLU A 42 -0.701 -4.519 -11.088 1.00 33.52 H new ATOM 0 HB2 GLU A 42 -0.324 -3.667 -8.757 1.00 41.33 H new ATOM 0 HB3 GLU A 42 -1.984 -4.069 -8.364 1.00 41.33 H new ATOM 0 HG2 GLU A 42 -1.563 -6.306 -8.218 1.00 30.01 H new ATOM 0 HG3 GLU A 42 -0.413 -6.293 -9.540 1.00 30.01 H new ATOM 681 N ARG A 43 -3.932 -4.441 -10.650 1.00 35.24 N ATOM 682 CA ARG A 43 -5.178 -5.146 -10.919 1.00 22.00 C ATOM 683 C ARG A 43 -5.624 -4.930 -12.362 1.00 53.23 C ATOM 684 O ARG A 43 -6.567 -5.568 -12.833 1.00 75.03 O ATOM 685 CB ARG A 43 -6.273 -4.676 -9.960 1.00 34.30 C ATOM 686 CG ARG A 43 -6.813 -5.779 -9.064 1.00 71.11 C ATOM 687 CD ARG A 43 -5.742 -6.305 -8.121 1.00 42.44 C ATOM 688 NE ARG A 43 -5.445 -7.714 -8.364 1.00 13.41 N ATOM 689 CZ ARG A 43 -6.240 -8.709 -7.988 1.00 11.42 C ATOM 690 NH1 ARG A 43 -7.377 -8.451 -7.356 1.00 30.22 N ATOM 691 NH2 ARG A 43 -5.901 -9.965 -8.244 1.00 55.13 N ATOM 0 H ARG A 43 -4.051 -3.470 -10.363 1.00 35.24 H new ATOM 0 HA ARG A 43 -5.004 -6.211 -10.766 1.00 22.00 H new ATOM 0 HB2 ARG A 43 -5.878 -3.874 -9.337 1.00 34.30 H new ATOM 0 HB3 ARG A 43 -7.095 -4.255 -10.539 1.00 34.30 H new ATOM 0 HG2 ARG A 43 -7.655 -5.399 -8.485 1.00 71.11 H new ATOM 0 HG3 ARG A 43 -7.191 -6.596 -9.678 1.00 71.11 H new ATOM 0 HD2 ARG A 43 -4.832 -5.717 -8.241 1.00 42.44 H new ATOM 0 HD3 ARG A 43 -6.071 -6.176 -7.090 1.00 42.44 H new ATOM 0 HE ARG A 43 -4.579 -7.947 -8.850 1.00 13.41 H new ATOM 0 HH11 ARG A 43 -7.643 -7.486 -7.158 1.00 30.22 H new ATOM 0 HH12 ARG A 43 -7.986 -9.217 -7.068 1.00 30.22 H new ATOM 0 HH21 ARG A 43 -5.028 -10.169 -8.731 1.00 55.13 H new ATOM 0 HH22 ARG A 43 -6.513 -10.728 -7.954 1.00 55.13 H new ATOM 705 N PHE A 44 -4.941 -4.028 -13.058 1.00 43.33 N ATOM 706 CA PHE A 44 -5.268 -3.726 -14.448 1.00 12.33 C ATOM 707 C PHE A 44 -4.284 -4.404 -15.396 1.00 51.14 C ATOM 708 O PHE A 44 -4.123 -3.987 -16.542 1.00 45.34 O ATOM 709 CB PHE A 44 -5.259 -2.214 -14.679 1.00 74.14 C ATOM 710 CG PHE A 44 -6.486 -1.521 -14.162 1.00 65.42 C ATOM 711 CD1 PHE A 44 -7.749 -2.012 -14.453 1.00 10.21 C ATOM 712 CD2 PHE A 44 -6.378 -0.377 -13.387 1.00 2.52 C ATOM 713 CE1 PHE A 44 -8.881 -1.377 -13.979 1.00 24.32 C ATOM 714 CE2 PHE A 44 -7.507 0.262 -12.910 1.00 12.24 C ATOM 715 CZ PHE A 44 -8.760 -0.238 -13.207 1.00 30.50 C ATOM 0 H PHE A 44 -4.158 -3.493 -12.683 1.00 43.33 H new ATOM 0 HA PHE A 44 -6.267 -4.111 -14.653 1.00 12.33 H new ATOM 0 HB2 PHE A 44 -4.380 -1.786 -14.197 1.00 74.14 H new ATOM 0 HB3 PHE A 44 -5.164 -2.018 -15.747 1.00 74.14 H new ATOM 0 HD1 PHE A 44 -7.850 -2.901 -15.057 1.00 10.21 H new ATOM 0 HD2 PHE A 44 -5.401 0.019 -13.153 1.00 2.52 H new ATOM 0 HE1 PHE A 44 -9.859 -1.771 -14.212 1.00 24.32 H new ATOM 0 HE2 PHE A 44 -7.410 1.152 -12.305 1.00 12.24 H new ATOM 0 HZ PHE A 44 -9.643 0.261 -12.836 1.00 30.50 H new ATOM 725 N ALA A 45 -3.627 -5.452 -14.910 1.00 0.44 N ATOM 726 CA ALA A 45 -2.660 -6.189 -15.714 1.00 2.05 C ATOM 727 C ALA A 45 -1.459 -5.318 -16.062 1.00 52.11 C ATOM 728 O ALA A 45 -0.762 -5.567 -17.046 1.00 12.13 O ATOM 729 CB ALA A 45 -3.319 -6.715 -16.981 1.00 23.22 C ATOM 0 H ALA A 45 -3.747 -5.810 -13.962 1.00 0.44 H new ATOM 0 HA ALA A 45 -2.304 -7.034 -15.125 1.00 2.05 H new ATOM 0 HB1 ALA A 45 -2.585 -7.263 -17.572 1.00 23.22 H new ATOM 0 HB2 ALA A 45 -4.141 -7.380 -16.715 1.00 23.22 H new ATOM 0 HB3 ALA A 45 -3.704 -5.879 -17.565 1.00 23.22 H new ATOM 735 N VAL A 46 -1.220 -4.293 -15.249 1.00 63.11 N ATOM 736 CA VAL A 46 -0.102 -3.385 -15.471 1.00 22.54 C ATOM 737 C VAL A 46 0.757 -3.254 -14.219 1.00 15.04 C ATOM 738 O VAL A 46 0.243 -3.055 -13.119 1.00 2.53 O ATOM 739 CB VAL A 46 -0.591 -1.986 -15.893 1.00 54.00 C ATOM 740 CG1 VAL A 46 0.585 -1.032 -16.040 1.00 71.13 C ATOM 741 CG2 VAL A 46 -1.387 -2.069 -17.187 1.00 34.24 C ATOM 0 H VAL A 46 -1.787 -4.071 -14.430 1.00 63.11 H new ATOM 0 HA VAL A 46 0.497 -3.811 -16.276 1.00 22.54 H new ATOM 0 HB VAL A 46 -1.247 -1.598 -15.114 1.00 54.00 H new ATOM 0 HG11 VAL A 46 0.221 -0.049 -16.338 1.00 71.13 H new ATOM 0 HG12 VAL A 46 1.109 -0.951 -15.088 1.00 71.13 H new ATOM 0 HG13 VAL A 46 1.269 -1.412 -16.799 1.00 71.13 H new ATOM 0 HG21 VAL A 46 -1.725 -1.072 -17.471 1.00 34.24 H new ATOM 0 HG22 VAL A 46 -0.756 -2.477 -17.977 1.00 34.24 H new ATOM 0 HG23 VAL A 46 -2.251 -2.717 -17.042 1.00 34.24 H new ATOM 751 N ASN A 47 2.069 -3.366 -14.393 1.00 53.51 N ATOM 752 CA ASN A 47 3.002 -3.261 -13.277 1.00 0.11 C ATOM 753 C ASN A 47 3.245 -1.801 -12.907 1.00 30.55 C ATOM 754 O ASN A 47 3.356 -0.927 -13.767 1.00 5.42 O ATOM 755 CB ASN A 47 4.329 -3.938 -13.627 1.00 24.05 C ATOM 756 CG ASN A 47 4.341 -5.410 -13.263 1.00 25.22 C ATOM 757 OD1 ASN A 47 3.375 -6.131 -13.514 1.00 61.23 O ATOM 758 ND2 ASN A 47 5.437 -5.862 -12.667 1.00 15.45 N ATOM 0 H ASN A 47 2.511 -3.530 -15.297 1.00 53.51 H new ATOM 0 HA ASN A 47 2.560 -3.767 -12.418 1.00 0.11 H new ATOM 0 HB2 ASN A 47 4.519 -3.829 -14.695 1.00 24.05 H new ATOM 0 HB3 ASN A 47 5.141 -3.431 -13.106 1.00 24.05 H new ATOM 0 HD21 ASN A 47 5.503 -6.843 -12.397 1.00 15.45 H new ATOM 0 HD22 ASN A 47 6.213 -5.228 -12.479 1.00 15.45 H new ATOM 765 N PRO A 48 3.330 -1.529 -11.596 1.00 4.03 N ATOM 766 CA PRO A 48 3.562 -0.176 -11.082 1.00 2.02 C ATOM 767 C PRO A 48 4.972 0.322 -11.377 1.00 65.21 C ATOM 768 O PRO A 48 5.298 1.481 -11.119 1.00 10.35 O ATOM 769 CB PRO A 48 3.353 -0.329 -9.573 1.00 62.31 C ATOM 770 CG PRO A 48 3.647 -1.762 -9.294 1.00 72.14 C ATOM 771 CD PRO A 48 3.206 -2.522 -10.515 1.00 31.41 C ATOM 0 HA PRO A 48 2.900 0.555 -11.546 1.00 2.02 H new ATOM 0 HB2 PRO A 48 4.018 0.328 -9.013 1.00 62.31 H new ATOM 0 HB3 PRO A 48 2.334 -0.071 -9.286 1.00 62.31 H new ATOM 0 HG2 PRO A 48 4.710 -1.912 -9.104 1.00 72.14 H new ATOM 0 HG3 PRO A 48 3.113 -2.104 -8.408 1.00 72.14 H new ATOM 0 HD2 PRO A 48 3.835 -3.393 -10.695 1.00 31.41 H new ATOM 0 HD3 PRO A 48 2.182 -2.883 -10.416 1.00 31.41 H new ATOM 779 N GLY A 49 5.806 -0.560 -11.921 1.00 5.24 N ATOM 780 CA GLY A 49 7.171 -0.190 -12.241 1.00 63.43 C ATOM 781 C GLY A 49 7.256 0.719 -13.452 1.00 75.20 C ATOM 782 O GLY A 49 8.336 1.194 -13.806 1.00 14.23 O ATOM 0 H GLY A 49 5.560 -1.524 -12.145 1.00 5.24 H new ATOM 0 HA2 GLY A 49 7.619 0.310 -11.383 1.00 63.43 H new ATOM 0 HA3 GLY A 49 7.755 -1.092 -12.425 1.00 63.43 H new ATOM 786 N LEU A 50 6.116 0.961 -14.089 1.00 34.24 N ATOM 787 CA LEU A 50 6.066 1.819 -15.268 1.00 62.42 C ATOM 788 C LEU A 50 5.862 3.278 -14.872 1.00 4.52 C ATOM 789 O LEU A 50 6.264 4.190 -15.595 1.00 65.53 O ATOM 790 CB LEU A 50 4.941 1.370 -16.202 1.00 72.32 C ATOM 791 CG LEU A 50 4.972 -0.097 -16.633 1.00 2.03 C ATOM 792 CD1 LEU A 50 3.585 -0.558 -17.056 1.00 51.24 C ATOM 793 CD2 LEU A 50 5.971 -0.300 -17.762 1.00 71.52 C ATOM 0 H LEU A 50 5.214 0.576 -13.809 1.00 34.24 H new ATOM 0 HA LEU A 50 7.019 1.734 -15.790 1.00 62.42 H new ATOM 0 HB2 LEU A 50 3.988 1.563 -15.709 1.00 72.32 H new ATOM 0 HB3 LEU A 50 4.969 1.992 -17.097 1.00 72.32 H new ATOM 0 HG LEU A 50 5.289 -0.700 -15.782 1.00 2.03 H new ATOM 0 HD11 LEU A 50 3.626 -1.604 -17.359 1.00 51.24 H new ATOM 0 HD12 LEU A 50 2.895 -0.450 -16.219 1.00 51.24 H new ATOM 0 HD13 LEU A 50 3.239 0.049 -17.893 1.00 51.24 H new ATOM 0 HD21 LEU A 50 5.980 -1.350 -18.056 1.00 71.52 H new ATOM 0 HD22 LEU A 50 5.684 0.314 -18.616 1.00 71.52 H new ATOM 0 HD23 LEU A 50 6.966 -0.010 -17.424 1.00 71.52 H new ATOM 805 N LEU A 51 5.238 3.491 -13.719 1.00 73.03 N ATOM 806 CA LEU A 51 4.982 4.840 -13.225 1.00 10.14 C ATOM 807 C LEU A 51 6.289 5.565 -12.923 1.00 71.23 C ATOM 808 O LEU A 51 6.337 6.795 -12.903 1.00 42.11 O ATOM 809 CB LEU A 51 4.112 4.787 -11.968 1.00 13.22 C ATOM 810 CG LEU A 51 2.685 4.274 -12.161 1.00 4.23 C ATOM 811 CD1 LEU A 51 2.023 4.022 -10.815 1.00 2.52 C ATOM 812 CD2 LEU A 51 1.870 5.262 -12.981 1.00 62.42 C ATOM 0 H LEU A 51 4.900 2.747 -13.108 1.00 73.03 H new ATOM 0 HA LEU A 51 4.453 5.392 -14.002 1.00 10.14 H new ATOM 0 HB2 LEU A 51 4.608 4.153 -11.233 1.00 13.22 H new ATOM 0 HB3 LEU A 51 4.062 5.789 -11.542 1.00 13.22 H new ATOM 0 HG LEU A 51 2.728 3.330 -12.705 1.00 4.23 H new ATOM 0 HD11 LEU A 51 1.008 3.657 -10.971 1.00 2.52 H new ATOM 0 HD12 LEU A 51 2.595 3.277 -10.262 1.00 2.52 H new ATOM 0 HD13 LEU A 51 1.991 4.951 -10.246 1.00 2.52 H new ATOM 0 HD21 LEU A 51 0.857 4.881 -13.108 1.00 62.42 H new ATOM 0 HD22 LEU A 51 1.834 6.221 -12.465 1.00 62.42 H new ATOM 0 HD23 LEU A 51 2.334 5.393 -13.959 1.00 62.42 H new ATOM 824 N GLU A 52 7.348 4.796 -12.691 1.00 11.35 N ATOM 825 CA GLU A 52 8.656 5.366 -12.391 1.00 74.40 C ATOM 826 C GLU A 52 9.313 5.915 -13.655 1.00 64.53 C ATOM 827 O GLU A 52 10.280 6.674 -13.587 1.00 34.02 O ATOM 828 CB GLU A 52 9.562 4.314 -11.749 1.00 52.15 C ATOM 829 CG GLU A 52 10.045 3.251 -12.722 1.00 2.11 C ATOM 830 CD GLU A 52 11.555 3.219 -12.849 1.00 2.41 C ATOM 831 OE1 GLU A 52 12.240 3.638 -11.893 1.00 71.34 O ATOM 832 OE2 GLU A 52 12.052 2.773 -13.904 1.00 52.13 O ATOM 0 H GLU A 52 7.326 3.776 -12.705 1.00 11.35 H new ATOM 0 HA GLU A 52 8.513 6.188 -11.689 1.00 74.40 H new ATOM 0 HB2 GLU A 52 10.426 4.811 -11.309 1.00 52.15 H new ATOM 0 HB3 GLU A 52 9.023 3.831 -10.934 1.00 52.15 H new ATOM 0 HG2 GLU A 52 9.691 2.274 -12.392 1.00 2.11 H new ATOM 0 HG3 GLU A 52 9.606 3.435 -13.702 1.00 2.11 H new ATOM 839 N THR A 53 8.779 5.527 -14.809 1.00 1.13 N ATOM 840 CA THR A 53 9.312 5.977 -16.088 1.00 23.02 C ATOM 841 C THR A 53 8.292 6.823 -16.842 1.00 3.13 C ATOM 842 O THR A 53 7.148 6.408 -17.034 1.00 13.31 O ATOM 843 CB THR A 53 9.730 4.788 -16.973 1.00 53.51 C ATOM 844 OG1 THR A 53 8.585 4.246 -17.640 1.00 43.01 O ATOM 845 CG2 THR A 53 10.398 3.703 -16.141 1.00 72.33 C ATOM 0 H THR A 53 7.977 4.901 -14.883 1.00 1.13 H new ATOM 0 HA THR A 53 10.191 6.583 -15.868 1.00 23.02 H new ATOM 0 HB THR A 53 10.444 5.149 -17.713 1.00 53.51 H new ATOM 0 HG1 THR A 53 7.813 4.272 -17.037 1.00 43.01 H new ATOM 0 HG21 THR A 53 10.685 2.873 -16.787 1.00 72.33 H new ATOM 0 HG22 THR A 53 11.286 4.110 -15.658 1.00 72.33 H new ATOM 0 HG23 THR A 53 9.702 3.347 -15.381 1.00 72.33 H new ATOM 853 N SER A 54 8.712 8.009 -17.268 1.00 33.42 N ATOM 854 CA SER A 54 7.834 8.915 -17.999 1.00 41.20 C ATOM 855 C SER A 54 7.147 8.191 -19.153 1.00 73.45 C ATOM 856 O SER A 54 6.013 8.508 -19.511 1.00 2.34 O ATOM 857 CB SER A 54 8.627 10.110 -18.532 1.00 5.04 C ATOM 858 OG SER A 54 9.982 10.045 -18.123 1.00 72.11 O ATOM 0 H SER A 54 9.656 8.366 -17.119 1.00 33.42 H new ATOM 0 HA SER A 54 7.069 9.274 -17.310 1.00 41.20 H new ATOM 0 HB2 SER A 54 8.573 10.130 -19.620 1.00 5.04 H new ATOM 0 HB3 SER A 54 8.179 11.037 -18.173 1.00 5.04 H new ATOM 0 HG SER A 54 10.387 10.935 -18.190 1.00 72.11 H new ATOM 864 N GLU A 55 7.844 7.218 -19.732 1.00 45.55 N ATOM 865 CA GLU A 55 7.302 6.449 -20.847 1.00 24.44 C ATOM 866 C GLU A 55 6.137 5.575 -20.389 1.00 74.52 C ATOM 867 O GLU A 55 5.161 5.395 -21.116 1.00 4.44 O ATOM 868 CB GLU A 55 8.392 5.579 -21.472 1.00 52.23 C ATOM 869 CG GLU A 55 8.487 5.713 -22.983 1.00 14.22 C ATOM 870 CD GLU A 55 7.217 5.278 -23.688 1.00 65.53 C ATOM 871 OE1 GLU A 55 6.305 6.119 -23.840 1.00 54.24 O ATOM 872 OE2 GLU A 55 7.134 4.099 -24.088 1.00 13.42 O ATOM 0 H GLU A 55 8.784 6.944 -19.448 1.00 45.55 H new ATOM 0 HA GLU A 55 6.935 7.151 -21.596 1.00 24.44 H new ATOM 0 HB2 GLU A 55 9.353 5.843 -21.031 1.00 52.23 H new ATOM 0 HB3 GLU A 55 8.202 4.536 -21.220 1.00 52.23 H new ATOM 0 HG2 GLU A 55 8.703 6.750 -23.239 1.00 14.22 H new ATOM 0 HG3 GLU A 55 9.323 5.114 -23.345 1.00 14.22 H new ATOM 879 N GLY A 56 6.250 5.035 -19.180 1.00 5.14 N ATOM 880 CA GLY A 56 5.201 4.186 -18.647 1.00 3.32 C ATOM 881 C GLY A 56 3.905 4.939 -18.419 1.00 33.01 C ATOM 882 O GLY A 56 2.820 4.406 -18.654 1.00 1.01 O ATOM 0 H GLY A 56 7.049 5.170 -18.560 1.00 5.14 H new ATOM 0 HA2 GLY A 56 5.021 3.360 -19.335 1.00 3.32 H new ATOM 0 HA3 GLY A 56 5.534 3.749 -17.706 1.00 3.32 H new ATOM 886 N CYS A 57 4.017 6.180 -17.959 1.00 21.13 N ATOM 887 CA CYS A 57 2.845 7.007 -17.695 1.00 73.13 C ATOM 888 C CYS A 57 2.076 7.285 -18.983 1.00 52.25 C ATOM 889 O CYS A 57 0.938 6.843 -19.146 1.00 50.42 O ATOM 890 CB CYS A 57 3.261 8.325 -17.041 1.00 73.14 C ATOM 891 SG CYS A 57 3.326 8.265 -15.236 1.00 33.35 S ATOM 0 H CYS A 57 4.908 6.636 -17.761 1.00 21.13 H new ATOM 0 HA CYS A 57 2.192 6.462 -17.013 1.00 73.13 H new ATOM 0 HB2 CYS A 57 4.242 8.612 -17.420 1.00 73.14 H new ATOM 0 HB3 CYS A 57 2.562 9.105 -17.343 1.00 73.14 H new ATOM 0 HG CYS A 57 3.888 9.347 -14.786 1.00 33.35 H new ATOM 897 N ARG A 58 2.704 8.020 -19.894 1.00 61.43 N ATOM 898 CA ARG A 58 2.077 8.360 -21.166 1.00 54.53 C ATOM 899 C ARG A 58 1.361 7.150 -21.759 1.00 5.11 C ATOM 900 O ARG A 58 0.305 7.284 -22.377 1.00 61.24 O ATOM 901 CB ARG A 58 3.125 8.878 -22.153 1.00 73.24 C ATOM 902 CG ARG A 58 2.686 10.121 -22.911 1.00 11.35 C ATOM 903 CD ARG A 58 2.794 9.924 -24.414 1.00 71.12 C ATOM 904 NE ARG A 58 3.320 11.110 -25.085 1.00 55.35 N ATOM 905 CZ ARG A 58 4.599 11.467 -25.050 1.00 52.11 C ATOM 906 NH1 ARG A 58 5.478 10.734 -24.380 1.00 60.31 N ATOM 907 NH2 ARG A 58 5.001 12.560 -25.686 1.00 52.24 N ATOM 0 H ARG A 58 3.646 8.392 -19.776 1.00 61.43 H new ATOM 0 HA ARG A 58 1.342 9.143 -20.982 1.00 54.53 H new ATOM 0 HB2 ARG A 58 4.044 9.099 -21.611 1.00 73.24 H new ATOM 0 HB3 ARG A 58 3.359 8.090 -22.869 1.00 73.24 H new ATOM 0 HG2 ARG A 58 1.657 10.364 -22.648 1.00 11.35 H new ATOM 0 HG3 ARG A 58 3.301 10.969 -22.609 1.00 11.35 H new ATOM 0 HD2 ARG A 58 3.442 9.072 -24.622 1.00 71.12 H new ATOM 0 HD3 ARG A 58 1.811 9.684 -24.820 1.00 71.12 H new ATOM 0 HE ARG A 58 2.670 11.696 -25.609 1.00 55.35 H new ATOM 0 HH11 ARG A 58 5.173 9.893 -23.890 1.00 60.31 H new ATOM 0 HH12 ARG A 58 6.459 11.011 -24.355 1.00 60.31 H new ATOM 0 HH21 ARG A 58 4.328 13.126 -26.202 1.00 52.24 H new ATOM 0 HH22 ARG A 58 5.983 12.834 -25.659 1.00 52.24 H new ATOM 921 N GLN A 59 1.942 5.971 -21.566 1.00 2.43 N ATOM 922 CA GLN A 59 1.358 4.738 -22.082 1.00 70.13 C ATOM 923 C GLN A 59 0.036 4.430 -21.388 1.00 44.42 C ATOM 924 O GLN A 59 -0.977 4.183 -22.044 1.00 42.11 O ATOM 925 CB GLN A 59 2.330 3.571 -21.895 1.00 22.52 C ATOM 926 CG GLN A 59 2.373 2.619 -23.079 1.00 25.21 C ATOM 927 CD GLN A 59 2.537 1.172 -22.658 1.00 63.54 C ATOM 928 OE1 GLN A 59 3.222 0.872 -21.681 1.00 75.02 O ATOM 929 NE2 GLN A 59 1.906 0.265 -23.396 1.00 32.22 N ATOM 0 H GLN A 59 2.816 5.843 -21.056 1.00 2.43 H new ATOM 0 HA GLN A 59 1.166 4.874 -23.146 1.00 70.13 H new ATOM 0 HB2 GLN A 59 3.331 3.967 -21.721 1.00 22.52 H new ATOM 0 HB3 GLN A 59 2.048 3.014 -21.002 1.00 22.52 H new ATOM 0 HG2 GLN A 59 1.455 2.723 -23.658 1.00 25.21 H new ATOM 0 HG3 GLN A 59 3.197 2.898 -23.735 1.00 25.21 H new ATOM 0 HE21 GLN A 59 1.348 0.558 -24.198 1.00 32.22 H new ATOM 0 HE22 GLN A 59 1.979 -0.725 -23.160 1.00 32.22 H new ATOM 938 N ILE A 60 0.052 4.445 -20.060 1.00 62.53 N ATOM 939 CA ILE A 60 -1.147 4.168 -19.278 1.00 71.42 C ATOM 940 C ILE A 60 -2.305 5.059 -19.713 1.00 64.53 C ATOM 941 O ILE A 60 -3.415 4.581 -19.953 1.00 32.30 O ATOM 942 CB ILE A 60 -0.896 4.369 -17.772 1.00 25.34 C ATOM 943 CG1 ILE A 60 0.227 3.448 -17.292 1.00 53.03 C ATOM 944 CG2 ILE A 60 -2.172 4.113 -16.983 1.00 61.35 C ATOM 945 CD1 ILE A 60 1.036 4.025 -16.152 1.00 1.24 C ATOM 0 H ILE A 60 0.882 4.646 -19.502 1.00 62.53 H new ATOM 0 HA ILE A 60 -1.407 3.125 -19.458 1.00 71.42 H new ATOM 0 HB ILE A 60 -0.590 5.402 -17.605 1.00 25.34 H new ATOM 0 HG12 ILE A 60 -0.203 2.498 -16.977 1.00 53.03 H new ATOM 0 HG13 ILE A 60 0.893 3.235 -18.128 1.00 53.03 H new ATOM 0 HG21 ILE A 60 -1.978 4.259 -15.920 1.00 61.35 H new ATOM 0 HG22 ILE A 60 -2.947 4.807 -17.309 1.00 61.35 H new ATOM 0 HG23 ILE A 60 -2.506 3.090 -17.154 1.00 61.35 H new ATOM 0 HD11 ILE A 60 1.814 3.318 -15.864 1.00 1.24 H new ATOM 0 HD12 ILE A 60 1.496 4.961 -16.469 1.00 1.24 H new ATOM 0 HD13 ILE A 60 0.382 4.212 -15.300 1.00 1.24 H new ATOM 957 N LEU A 61 -2.040 6.357 -19.814 1.00 71.32 N ATOM 958 CA LEU A 61 -3.060 7.317 -20.222 1.00 34.12 C ATOM 959 C LEU A 61 -3.601 6.980 -21.608 1.00 11.14 C ATOM 960 O LEU A 61 -4.790 7.145 -21.877 1.00 71.42 O ATOM 961 CB LEU A 61 -2.485 8.734 -20.217 1.00 64.45 C ATOM 962 CG LEU A 61 -1.829 9.189 -18.913 1.00 52.20 C ATOM 963 CD1 LEU A 61 -0.783 10.258 -19.186 1.00 10.25 C ATOM 964 CD2 LEU A 61 -2.879 9.705 -17.940 1.00 3.42 C ATOM 0 H LEU A 61 -1.127 6.769 -19.619 1.00 71.32 H new ATOM 0 HA LEU A 61 -3.882 7.263 -19.508 1.00 34.12 H new ATOM 0 HB2 LEU A 61 -1.747 8.808 -21.016 1.00 64.45 H new ATOM 0 HB3 LEU A 61 -3.288 9.431 -20.459 1.00 64.45 H new ATOM 0 HG LEU A 61 -1.332 8.331 -18.460 1.00 52.20 H new ATOM 0 HD11 LEU A 61 -0.327 10.569 -18.246 1.00 10.25 H new ATOM 0 HD12 LEU A 61 -0.015 9.855 -19.846 1.00 10.25 H new ATOM 0 HD13 LEU A 61 -1.256 11.117 -19.662 1.00 10.25 H new ATOM 0 HD21 LEU A 61 -2.394 10.025 -17.017 1.00 3.42 H new ATOM 0 HD22 LEU A 61 -3.404 10.550 -18.386 1.00 3.42 H new ATOM 0 HD23 LEU A 61 -3.592 8.911 -17.719 1.00 3.42 H new ATOM 976 N GLY A 62 -2.720 6.504 -22.482 1.00 63.45 N ATOM 977 CA GLY A 62 -3.129 6.150 -23.829 1.00 23.03 C ATOM 978 C GLY A 62 -4.074 4.964 -23.855 1.00 32.45 C ATOM 979 O GLY A 62 -4.897 4.839 -24.759 1.00 65.32 O ATOM 0 H GLY A 62 -1.731 6.357 -22.282 1.00 63.45 H new ATOM 0 HA2 GLY A 62 -3.614 7.008 -24.295 1.00 23.03 H new ATOM 0 HA3 GLY A 62 -2.246 5.920 -24.425 1.00 23.03 H new ATOM 983 N GLN A 63 -3.952 4.092 -22.859 1.00 62.14 N ATOM 984 CA GLN A 63 -4.801 2.909 -22.773 1.00 63.40 C ATOM 985 C GLN A 63 -6.110 3.229 -22.058 1.00 1.32 C ATOM 986 O GLN A 63 -7.174 2.745 -22.442 1.00 3.31 O ATOM 987 CB GLN A 63 -4.070 1.782 -22.043 1.00 55.43 C ATOM 988 CG GLN A 63 -4.956 0.590 -21.720 1.00 72.31 C ATOM 989 CD GLN A 63 -4.160 -0.645 -21.345 1.00 73.01 C ATOM 990 OE1 GLN A 63 -3.060 -0.547 -20.800 1.00 3.33 O ATOM 991 NE2 GLN A 63 -4.712 -1.817 -21.637 1.00 24.45 N ATOM 0 H GLN A 63 -3.275 4.182 -22.102 1.00 62.14 H new ATOM 0 HA GLN A 63 -5.032 2.585 -23.788 1.00 63.40 H new ATOM 0 HB2 GLN A 63 -3.233 1.446 -22.656 1.00 55.43 H new ATOM 0 HB3 GLN A 63 -3.650 2.173 -21.116 1.00 55.43 H new ATOM 0 HG2 GLN A 63 -5.624 0.850 -20.899 1.00 72.31 H new ATOM 0 HG3 GLN A 63 -5.584 0.365 -22.582 1.00 72.31 H new ATOM 0 HE21 GLN A 63 -5.626 -1.852 -22.089 1.00 24.45 H new ATOM 0 HE22 GLN A 63 -4.222 -2.682 -21.409 1.00 24.45 H new ATOM 1000 N LEU A 64 -6.023 4.047 -21.014 1.00 54.14 N ATOM 1001 CA LEU A 64 -7.200 4.432 -20.244 1.00 71.20 C ATOM 1002 C LEU A 64 -8.035 5.460 -21.002 1.00 43.43 C ATOM 1003 O LEU A 64 -9.252 5.527 -20.838 1.00 44.41 O ATOM 1004 CB LEU A 64 -6.783 4.999 -18.886 1.00 14.42 C ATOM 1005 CG LEU A 64 -5.944 4.075 -18.002 1.00 50.11 C ATOM 1006 CD1 LEU A 64 -5.540 4.784 -16.720 1.00 24.53 C ATOM 1007 CD2 LEU A 64 -6.710 2.797 -17.689 1.00 22.11 C ATOM 0 H LEU A 64 -5.150 4.456 -20.682 1.00 54.14 H new ATOM 0 HA LEU A 64 -7.808 3.541 -20.088 1.00 71.20 H new ATOM 0 HB2 LEU A 64 -6.220 5.917 -19.055 1.00 14.42 H new ATOM 0 HB3 LEU A 64 -7.684 5.274 -18.337 1.00 14.42 H new ATOM 0 HG LEU A 64 -5.038 3.808 -18.545 1.00 50.11 H new ATOM 0 HD11 LEU A 64 -4.944 4.111 -16.104 1.00 24.53 H new ATOM 0 HD12 LEU A 64 -4.952 5.669 -16.963 1.00 24.53 H new ATOM 0 HD13 LEU A 64 -6.434 5.081 -16.172 1.00 24.53 H new ATOM 0 HD21 LEU A 64 -6.098 2.151 -17.059 1.00 22.11 H new ATOM 0 HD22 LEU A 64 -7.633 3.045 -17.166 1.00 22.11 H new ATOM 0 HD23 LEU A 64 -6.948 2.278 -18.618 1.00 22.11 H new ATOM 1019 N GLN A 65 -7.371 6.257 -21.832 1.00 73.34 N ATOM 1020 CA GLN A 65 -8.052 7.281 -22.617 1.00 24.13 C ATOM 1021 C GLN A 65 -9.329 6.727 -23.241 1.00 20.31 C ATOM 1022 O GLN A 65 -10.433 7.209 -22.986 1.00 22.45 O ATOM 1023 CB GLN A 65 -7.126 7.816 -23.710 1.00 2.04 C ATOM 1024 CG GLN A 65 -6.693 9.257 -23.489 1.00 4.41 C ATOM 1025 CD GLN A 65 -7.722 10.256 -23.978 1.00 32.31 C ATOM 1026 OE1 GLN A 65 -8.906 10.157 -23.653 1.00 11.44 O ATOM 1027 NE2 GLN A 65 -7.276 11.229 -24.765 1.00 22.23 N ATOM 0 H GLN A 65 -6.363 6.214 -21.979 1.00 73.34 H new ATOM 0 HA GLN A 65 -8.321 8.098 -21.948 1.00 24.13 H new ATOM 0 HB2 GLN A 65 -6.240 7.184 -23.766 1.00 2.04 H new ATOM 0 HB3 GLN A 65 -7.632 7.741 -24.672 1.00 2.04 H new ATOM 0 HG2 GLN A 65 -6.511 9.419 -22.427 1.00 4.41 H new ATOM 0 HG3 GLN A 65 -5.749 9.432 -24.004 1.00 4.41 H new ATOM 0 HE21 GLN A 65 -6.287 11.274 -25.010 1.00 22.23 H new ATOM 0 HE22 GLN A 65 -7.923 11.931 -25.124 1.00 22.23 H new ATOM 1036 N PRO A 66 -9.178 5.691 -24.080 1.00 32.33 N ATOM 1037 CA PRO A 66 -10.309 5.051 -24.757 1.00 13.51 C ATOM 1038 C PRO A 66 -11.194 4.268 -23.794 1.00 11.21 C ATOM 1039 O PRO A 66 -12.254 3.771 -24.175 1.00 11.15 O ATOM 1040 CB PRO A 66 -9.635 4.104 -25.753 1.00 55.52 C ATOM 1041 CG PRO A 66 -8.299 3.816 -25.157 1.00 45.44 C ATOM 1042 CD PRO A 66 -7.892 5.066 -24.430 1.00 22.15 C ATOM 0 HA PRO A 66 -10.972 5.781 -25.222 1.00 13.51 H new ATOM 0 HB2 PRO A 66 -10.215 3.191 -25.885 1.00 55.52 H new ATOM 0 HB3 PRO A 66 -9.539 4.566 -26.736 1.00 55.52 H new ATOM 0 HG2 PRO A 66 -8.351 2.967 -24.475 1.00 45.44 H new ATOM 0 HG3 PRO A 66 -7.574 3.560 -25.930 1.00 45.44 H new ATOM 0 HD2 PRO A 66 -7.300 4.840 -23.543 1.00 22.15 H new ATOM 0 HD3 PRO A 66 -7.287 5.718 -25.060 1.00 22.15 H new ATOM 1050 N SER A 67 -10.752 4.161 -22.544 1.00 61.41 N ATOM 1051 CA SER A 67 -11.504 3.436 -21.527 1.00 55.14 C ATOM 1052 C SER A 67 -12.241 4.401 -20.605 1.00 20.35 C ATOM 1053 O SER A 67 -13.167 4.012 -19.891 1.00 15.42 O ATOM 1054 CB SER A 67 -10.566 2.545 -20.709 1.00 21.53 C ATOM 1055 OG SER A 67 -10.009 1.519 -21.511 1.00 2.23 O ATOM 0 H SER A 67 -9.877 4.567 -22.212 1.00 61.41 H new ATOM 0 HA SER A 67 -12.241 2.810 -22.031 1.00 55.14 H new ATOM 0 HB2 SER A 67 -9.767 3.150 -20.280 1.00 21.53 H new ATOM 0 HB3 SER A 67 -11.113 2.103 -19.876 1.00 21.53 H new ATOM 0 HG SER A 67 -9.133 1.805 -21.846 1.00 2.23 H new ATOM 1061 N LEU A 68 -11.825 5.663 -20.625 1.00 10.13 N ATOM 1062 CA LEU A 68 -12.445 6.687 -19.789 1.00 55.54 C ATOM 1063 C LEU A 68 -13.939 6.790 -20.075 1.00 62.03 C ATOM 1064 O LEU A 68 -14.705 7.288 -19.250 1.00 53.43 O ATOM 1065 CB LEU A 68 -11.774 8.040 -20.026 1.00 60.53 C ATOM 1066 CG LEU A 68 -10.393 8.224 -19.395 1.00 71.30 C ATOM 1067 CD1 LEU A 68 -9.693 9.438 -19.987 1.00 41.51 C ATOM 1068 CD2 LEU A 68 -10.511 8.358 -17.885 1.00 34.25 C ATOM 0 H LEU A 68 -11.062 6.002 -21.210 1.00 10.13 H new ATOM 0 HA LEU A 68 -12.312 6.401 -18.746 1.00 55.54 H new ATOM 0 HB2 LEU A 68 -11.684 8.195 -21.101 1.00 60.53 H new ATOM 0 HB3 LEU A 68 -12.432 8.821 -19.646 1.00 60.53 H new ATOM 0 HG LEU A 68 -9.793 7.341 -19.616 1.00 71.30 H new ATOM 0 HD11 LEU A 68 -8.712 9.553 -19.526 1.00 41.51 H new ATOM 0 HD12 LEU A 68 -9.575 9.302 -21.062 1.00 41.51 H new ATOM 0 HD13 LEU A 68 -10.290 10.330 -19.798 1.00 41.51 H new ATOM 0 HD21 LEU A 68 -9.519 8.488 -17.453 1.00 34.25 H new ATOM 0 HD22 LEU A 68 -11.128 9.223 -17.644 1.00 34.25 H new ATOM 0 HD23 LEU A 68 -10.970 7.459 -17.475 1.00 34.25 H new ATOM 1080 N GLN A 69 -14.347 6.314 -21.247 1.00 70.44 N ATOM 1081 CA GLN A 69 -15.751 6.352 -21.640 1.00 73.55 C ATOM 1082 C GLN A 69 -16.470 5.077 -21.214 1.00 60.13 C ATOM 1083 O GLN A 69 -17.577 5.126 -20.676 1.00 55.41 O ATOM 1084 CB GLN A 69 -15.873 6.540 -23.154 1.00 1.12 C ATOM 1085 CG GLN A 69 -17.269 6.939 -23.607 1.00 14.22 C ATOM 1086 CD GLN A 69 -17.380 8.418 -23.924 1.00 12.42 C ATOM 1087 OE1 GLN A 69 -17.549 8.805 -25.080 1.00 30.41 O ATOM 1088 NE2 GLN A 69 -17.285 9.252 -22.896 1.00 32.14 N ATOM 0 H GLN A 69 -13.726 5.898 -21.941 1.00 70.44 H new ATOM 0 HA GLN A 69 -16.221 7.197 -21.137 1.00 73.55 H new ATOM 0 HB2 GLN A 69 -15.164 7.303 -23.475 1.00 1.12 H new ATOM 0 HB3 GLN A 69 -15.590 5.612 -23.651 1.00 1.12 H new ATOM 0 HG2 GLN A 69 -17.539 6.361 -24.491 1.00 14.22 H new ATOM 0 HG3 GLN A 69 -17.987 6.684 -22.827 1.00 14.22 H new ATOM 0 HE21 GLN A 69 -17.145 8.887 -21.954 1.00 32.14 H new ATOM 0 HE22 GLN A 69 -17.352 10.258 -23.048 1.00 32.14 H new ATOM 1097 N THR A 70 -15.835 3.936 -21.459 1.00 4.52 N ATOM 1098 CA THR A 70 -16.415 2.647 -21.102 1.00 40.45 C ATOM 1099 C THR A 70 -16.358 2.416 -19.597 1.00 13.42 C ATOM 1100 O THR A 70 -17.022 1.525 -19.070 1.00 21.02 O ATOM 1101 CB THR A 70 -15.692 1.488 -21.816 1.00 23.24 C ATOM 1102 OG1 THR A 70 -15.005 1.979 -22.973 1.00 5.52 O ATOM 1103 CG2 THR A 70 -16.679 0.406 -22.226 1.00 13.24 C ATOM 0 H THR A 70 -14.919 3.878 -21.903 1.00 4.52 H new ATOM 0 HA THR A 70 -17.456 2.669 -21.424 1.00 40.45 H new ATOM 0 HB THR A 70 -14.971 1.055 -21.122 1.00 23.24 H new ATOM 0 HG1 THR A 70 -14.547 1.237 -23.421 1.00 5.52 H new ATOM 0 HG21 THR A 70 -16.146 -0.401 -22.728 1.00 13.24 H new ATOM 0 HG22 THR A 70 -17.179 0.015 -21.340 1.00 13.24 H new ATOM 0 HG23 THR A 70 -17.420 0.828 -22.904 1.00 13.24 H new ATOM 1111 N GLY A 71 -15.558 3.226 -18.908 1.00 42.33 N ATOM 1112 CA GLY A 71 -15.430 3.094 -17.468 1.00 54.23 C ATOM 1113 C GLY A 71 -16.122 4.215 -16.719 1.00 52.02 C ATOM 1114 O GLY A 71 -16.430 5.257 -17.295 1.00 61.43 O ATOM 0 H GLY A 71 -14.997 3.971 -19.322 1.00 42.33 H new ATOM 0 HA2 GLY A 71 -15.851 2.138 -17.155 1.00 54.23 H new ATOM 0 HA3 GLY A 71 -14.374 3.080 -17.200 1.00 54.23 H new ATOM 1118 N SER A 72 -16.368 4.000 -15.431 1.00 3.04 N ATOM 1119 CA SER A 72 -17.033 4.999 -14.603 1.00 3.45 C ATOM 1120 C SER A 72 -16.039 6.045 -14.109 1.00 40.03 C ATOM 1121 O SER A 72 -14.922 6.143 -14.617 1.00 40.13 O ATOM 1122 CB SER A 72 -17.719 4.328 -13.411 1.00 21.42 C ATOM 1123 OG SER A 72 -16.801 4.102 -12.355 1.00 53.15 O ATOM 0 H SER A 72 -16.117 3.143 -14.938 1.00 3.04 H new ATOM 0 HA SER A 72 -17.785 5.499 -15.213 1.00 3.45 H new ATOM 0 HB2 SER A 72 -18.537 4.956 -13.058 1.00 21.42 H new ATOM 0 HB3 SER A 72 -18.157 3.381 -13.725 1.00 21.42 H new ATOM 0 HG SER A 72 -17.264 3.674 -11.605 1.00 53.15 H new ATOM 1129 N GLU A 73 -16.453 6.824 -13.115 1.00 4.32 N ATOM 1130 CA GLU A 73 -15.600 7.864 -12.553 1.00 54.15 C ATOM 1131 C GLU A 73 -14.336 7.262 -11.946 1.00 41.34 C ATOM 1132 O GLU A 73 -13.349 7.961 -11.721 1.00 2.32 O ATOM 1133 CB GLU A 73 -16.360 8.661 -11.491 1.00 1.53 C ATOM 1134 CG GLU A 73 -15.806 10.057 -11.265 1.00 50.21 C ATOM 1135 CD GLU A 73 -16.286 10.672 -9.965 1.00 5.21 C ATOM 1136 OE1 GLU A 73 -16.852 9.933 -9.132 1.00 12.12 O ATOM 1137 OE2 GLU A 73 -16.098 11.893 -9.781 1.00 33.12 O ATOM 0 H GLU A 73 -17.374 6.755 -12.682 1.00 4.32 H new ATOM 0 HA GLU A 73 -15.310 8.535 -13.361 1.00 54.15 H new ATOM 0 HB2 GLU A 73 -17.406 8.738 -11.786 1.00 1.53 H new ATOM 0 HB3 GLU A 73 -16.334 8.112 -10.550 1.00 1.53 H new ATOM 0 HG2 GLU A 73 -14.717 10.015 -11.262 1.00 50.21 H new ATOM 0 HG3 GLU A 73 -16.099 10.699 -12.096 1.00 50.21 H new ATOM 1144 N GLU A 74 -14.376 5.959 -11.683 1.00 62.23 N ATOM 1145 CA GLU A 74 -13.234 5.262 -11.101 1.00 23.10 C ATOM 1146 C GLU A 74 -11.984 5.459 -11.954 1.00 23.13 C ATOM 1147 O GLU A 74 -10.875 5.573 -11.431 1.00 71.02 O ATOM 1148 CB GLU A 74 -13.539 3.769 -10.959 1.00 33.04 C ATOM 1149 CG GLU A 74 -14.056 3.382 -9.584 1.00 22.45 C ATOM 1150 CD GLU A 74 -14.605 1.970 -9.543 1.00 12.40 C ATOM 1151 OE1 GLU A 74 -14.826 1.387 -10.625 1.00 22.51 O ATOM 1152 OE2 GLU A 74 -14.811 1.446 -8.428 1.00 52.23 O ATOM 0 H GLU A 74 -15.186 5.365 -11.863 1.00 62.23 H new ATOM 0 HA GLU A 74 -13.048 5.683 -10.113 1.00 23.10 H new ATOM 0 HB2 GLU A 74 -14.277 3.485 -11.709 1.00 33.04 H new ATOM 0 HB3 GLU A 74 -12.634 3.200 -11.171 1.00 33.04 H new ATOM 0 HG2 GLU A 74 -13.249 3.475 -8.857 1.00 22.45 H new ATOM 0 HG3 GLU A 74 -14.837 4.080 -9.284 1.00 22.45 H new ATOM 1159 N LEU A 75 -12.172 5.496 -13.268 1.00 23.31 N ATOM 1160 CA LEU A 75 -11.060 5.679 -14.195 1.00 54.33 C ATOM 1161 C LEU A 75 -10.683 7.152 -14.311 1.00 23.21 C ATOM 1162 O LEU A 75 -9.569 7.489 -14.712 1.00 71.12 O ATOM 1163 CB LEU A 75 -11.423 5.123 -15.574 1.00 31.14 C ATOM 1164 CG LEU A 75 -10.262 4.568 -16.400 1.00 24.00 C ATOM 1165 CD1 LEU A 75 -9.774 3.250 -15.817 1.00 65.11 C ATOM 1166 CD2 LEU A 75 -10.680 4.390 -17.853 1.00 0.53 C ATOM 0 H LEU A 75 -13.083 5.402 -13.716 1.00 23.31 H new ATOM 0 HA LEU A 75 -10.201 5.134 -13.804 1.00 54.33 H new ATOM 0 HB2 LEU A 75 -12.160 4.331 -15.442 1.00 31.14 H new ATOM 0 HB3 LEU A 75 -11.905 5.915 -16.148 1.00 31.14 H new ATOM 0 HG LEU A 75 -9.440 5.283 -16.364 1.00 24.00 H new ATOM 0 HD11 LEU A 75 -8.948 2.870 -16.418 1.00 65.11 H new ATOM 0 HD12 LEU A 75 -9.435 3.408 -14.793 1.00 65.11 H new ATOM 0 HD13 LEU A 75 -10.589 2.526 -15.822 1.00 65.11 H new ATOM 0 HD21 LEU A 75 -9.842 3.994 -18.427 1.00 0.53 H new ATOM 0 HD22 LEU A 75 -11.518 3.695 -17.908 1.00 0.53 H new ATOM 0 HD23 LEU A 75 -10.980 5.353 -18.266 1.00 0.53 H new ATOM 1178 N ARG A 76 -11.619 8.027 -13.955 1.00 55.32 N ATOM 1179 CA ARG A 76 -11.385 9.464 -14.018 1.00 30.33 C ATOM 1180 C ARG A 76 -10.299 9.882 -13.031 1.00 22.51 C ATOM 1181 O ARG A 76 -9.369 10.606 -13.385 1.00 22.31 O ATOM 1182 CB ARG A 76 -12.678 10.227 -13.723 1.00 2.31 C ATOM 1183 CG ARG A 76 -13.009 11.288 -14.760 1.00 3.23 C ATOM 1184 CD ARG A 76 -12.612 12.675 -14.282 1.00 23.42 C ATOM 1185 NE ARG A 76 -13.409 13.722 -14.919 1.00 41.11 N ATOM 1186 CZ ARG A 76 -13.173 15.020 -14.767 1.00 52.33 C ATOM 1187 NH1 ARG A 76 -12.168 15.430 -14.005 1.00 4.14 N ATOM 1188 NH2 ARG A 76 -13.942 15.911 -15.379 1.00 70.24 N ATOM 0 H ARG A 76 -12.546 7.765 -13.620 1.00 55.32 H new ATOM 0 HA ARG A 76 -11.049 9.708 -15.026 1.00 30.33 H new ATOM 0 HB2 ARG A 76 -13.503 9.518 -13.665 1.00 2.31 H new ATOM 0 HB3 ARG A 76 -12.595 10.700 -12.745 1.00 2.31 H new ATOM 0 HG2 ARG A 76 -12.492 11.061 -15.692 1.00 3.23 H new ATOM 0 HG3 ARG A 76 -14.077 11.268 -14.975 1.00 3.23 H new ATOM 0 HD2 ARG A 76 -12.733 12.734 -13.200 1.00 23.42 H new ATOM 0 HD3 ARG A 76 -11.556 12.843 -14.494 1.00 23.42 H new ATOM 0 HE ARG A 76 -14.189 13.440 -15.513 1.00 41.11 H new ATOM 0 HH11 ARG A 76 -11.574 14.748 -13.534 1.00 4.14 H new ATOM 0 HH12 ARG A 76 -11.989 16.428 -13.890 1.00 4.14 H new ATOM 0 HH21 ARG A 76 -14.715 15.599 -15.967 1.00 70.24 H new ATOM 0 HH22 ARG A 76 -13.760 16.908 -15.262 1.00 70.24 H new ATOM 1202 N SER A 77 -10.425 9.422 -11.791 1.00 12.44 N ATOM 1203 CA SER A 77 -9.458 9.751 -10.750 1.00 52.45 C ATOM 1204 C SER A 77 -8.061 9.273 -11.136 1.00 41.12 C ATOM 1205 O SER A 77 -7.068 9.961 -10.896 1.00 31.03 O ATOM 1206 CB SER A 77 -9.874 9.121 -9.419 1.00 33.53 C ATOM 1207 OG SER A 77 -10.743 9.979 -8.700 1.00 72.42 O ATOM 0 H SER A 77 -11.188 8.820 -11.482 1.00 12.44 H new ATOM 0 HA SER A 77 -9.436 10.835 -10.639 1.00 52.45 H new ATOM 0 HB2 SER A 77 -10.369 8.167 -9.603 1.00 33.53 H new ATOM 0 HB3 SER A 77 -8.988 8.910 -8.820 1.00 33.53 H new ATOM 0 HG SER A 77 -10.996 9.554 -7.854 1.00 72.42 H new ATOM 1213 N LEU A 78 -7.993 8.091 -11.738 1.00 51.44 N ATOM 1214 CA LEU A 78 -6.719 7.519 -12.159 1.00 33.14 C ATOM 1215 C LEU A 78 -6.005 8.442 -13.143 1.00 4.25 C ATOM 1216 O LEU A 78 -4.869 8.856 -12.909 1.00 5.12 O ATOM 1217 CB LEU A 78 -6.939 6.147 -12.798 1.00 11.23 C ATOM 1218 CG LEU A 78 -6.520 4.940 -11.958 1.00 3.02 C ATOM 1219 CD1 LEU A 78 -5.083 5.091 -11.485 1.00 51.43 C ATOM 1220 CD2 LEU A 78 -7.459 4.765 -10.772 1.00 34.31 C ATOM 0 H LEU A 78 -8.805 7.510 -11.946 1.00 51.44 H new ATOM 0 HA LEU A 78 -6.091 7.405 -11.275 1.00 33.14 H new ATOM 0 HB2 LEU A 78 -7.997 6.046 -13.040 1.00 11.23 H new ATOM 0 HB3 LEU A 78 -6.393 6.116 -13.741 1.00 11.23 H new ATOM 0 HG LEU A 78 -6.583 4.048 -12.581 1.00 3.02 H new ATOM 0 HD11 LEU A 78 -4.803 4.222 -10.889 1.00 51.43 H new ATOM 0 HD12 LEU A 78 -4.422 5.167 -12.348 1.00 51.43 H new ATOM 0 HD13 LEU A 78 -4.992 5.992 -10.878 1.00 51.43 H new ATOM 0 HD21 LEU A 78 -7.146 3.902 -10.185 1.00 34.31 H new ATOM 0 HD22 LEU A 78 -7.428 5.658 -10.148 1.00 34.31 H new ATOM 0 HD23 LEU A 78 -8.476 4.610 -11.133 1.00 34.31 H new ATOM 1232 N TYR A 79 -6.681 8.762 -14.241 1.00 33.30 N ATOM 1233 CA TYR A 79 -6.112 9.636 -15.260 1.00 24.14 C ATOM 1234 C TYR A 79 -5.573 10.920 -14.637 1.00 25.23 C ATOM 1235 O TYR A 79 -4.453 11.340 -14.923 1.00 45.24 O ATOM 1236 CB TYR A 79 -7.165 9.971 -16.319 1.00 15.04 C ATOM 1237 CG TYR A 79 -6.581 10.245 -17.686 1.00 72.32 C ATOM 1238 CD1 TYR A 79 -6.098 11.505 -18.017 1.00 72.32 C ATOM 1239 CD2 TYR A 79 -6.511 9.244 -18.647 1.00 20.03 C ATOM 1240 CE1 TYR A 79 -5.565 11.761 -19.267 1.00 10.53 C ATOM 1241 CE2 TYR A 79 -5.978 9.489 -19.898 1.00 5.13 C ATOM 1242 CZ TYR A 79 -5.507 10.750 -20.203 1.00 14.51 C ATOM 1243 OH TYR A 79 -4.975 10.999 -21.447 1.00 61.24 O ATOM 0 H TYR A 79 -7.623 8.430 -14.448 1.00 33.30 H new ATOM 0 HA TYR A 79 -5.284 9.109 -15.734 1.00 24.14 H new ATOM 0 HB2 TYR A 79 -7.870 9.143 -16.393 1.00 15.04 H new ATOM 0 HB3 TYR A 79 -7.731 10.844 -15.993 1.00 15.04 H new ATOM 0 HD1 TYR A 79 -6.140 12.298 -17.285 1.00 72.32 H new ATOM 0 HD2 TYR A 79 -6.880 8.257 -18.412 1.00 20.03 H new ATOM 0 HE1 TYR A 79 -5.196 12.747 -19.509 1.00 10.53 H new ATOM 0 HE2 TYR A 79 -5.930 8.699 -20.633 1.00 5.13 H new ATOM 0 HH TYR A 79 -4.292 11.699 -21.377 1.00 61.24 H new ATOM 1253 N ASN A 80 -6.382 11.540 -13.783 1.00 23.21 N ATOM 1254 CA ASN A 80 -5.988 12.777 -13.118 1.00 65.31 C ATOM 1255 C ASN A 80 -4.626 12.624 -12.448 1.00 71.43 C ATOM 1256 O ASN A 80 -3.705 13.400 -12.705 1.00 31.41 O ATOM 1257 CB ASN A 80 -7.037 13.179 -12.080 1.00 42.11 C ATOM 1258 CG ASN A 80 -8.061 14.149 -12.637 1.00 61.54 C ATOM 1259 OD1 ASN A 80 -8.140 14.358 -13.849 1.00 15.51 O ATOM 1260 ND2 ASN A 80 -8.851 14.748 -11.754 1.00 53.23 N ATOM 0 H ASN A 80 -7.314 11.206 -13.536 1.00 23.21 H new ATOM 0 HA ASN A 80 -5.916 13.559 -13.873 1.00 65.31 H new ATOM 0 HB2 ASN A 80 -7.546 12.286 -11.718 1.00 42.11 H new ATOM 0 HB3 ASN A 80 -6.540 13.633 -11.222 1.00 42.11 H new ATOM 0 HD21 ASN A 80 -9.558 15.411 -12.070 1.00 53.23 H new ATOM 0 HD22 ASN A 80 -8.751 14.545 -10.759 1.00 53.23 H new ATOM 1267 N THR A 81 -4.505 11.619 -11.588 1.00 12.23 N ATOM 1268 CA THR A 81 -3.256 11.364 -10.880 1.00 42.22 C ATOM 1269 C THR A 81 -2.121 11.076 -11.856 1.00 13.43 C ATOM 1270 O THR A 81 -1.106 11.773 -11.864 1.00 55.24 O ATOM 1271 CB THR A 81 -3.394 10.180 -9.906 1.00 4.34 C ATOM 1272 OG1 THR A 81 -4.404 10.462 -8.931 1.00 73.43 O ATOM 1273 CG2 THR A 81 -2.072 9.897 -9.207 1.00 42.00 C ATOM 0 H THR A 81 -5.257 10.967 -11.364 1.00 12.23 H new ATOM 0 HA THR A 81 -3.024 12.265 -10.313 1.00 42.22 H new ATOM 0 HB THR A 81 -3.680 9.298 -10.480 1.00 4.34 H new ATOM 0 HG1 THR A 81 -4.486 9.703 -8.317 1.00 73.43 H new ATOM 0 HG21 THR A 81 -2.194 9.056 -8.524 1.00 42.00 H new ATOM 0 HG22 THR A 81 -1.312 9.653 -9.950 1.00 42.00 H new ATOM 0 HG23 THR A 81 -1.761 10.778 -8.646 1.00 42.00 H new ATOM 1281 N ILE A 82 -2.299 10.046 -12.675 1.00 53.44 N ATOM 1282 CA ILE A 82 -1.289 9.667 -13.656 1.00 20.21 C ATOM 1283 C ILE A 82 -0.781 10.885 -14.421 1.00 53.03 C ATOM 1284 O ILE A 82 0.415 11.015 -14.678 1.00 11.33 O ATOM 1285 CB ILE A 82 -1.838 8.636 -14.661 1.00 14.15 C ATOM 1286 CG1 ILE A 82 -2.313 7.381 -13.927 1.00 42.05 C ATOM 1287 CG2 ILE A 82 -0.775 8.283 -15.691 1.00 64.53 C ATOM 1288 CD1 ILE A 82 -3.579 6.786 -14.505 1.00 54.11 C ATOM 0 H ILE A 82 -3.133 9.459 -12.679 1.00 53.44 H new ATOM 0 HA ILE A 82 -0.464 9.219 -13.102 1.00 20.21 H new ATOM 0 HB ILE A 82 -2.689 9.075 -15.182 1.00 14.15 H new ATOM 0 HG12 ILE A 82 -1.522 6.631 -13.957 1.00 42.05 H new ATOM 0 HG13 ILE A 82 -2.482 7.625 -12.878 1.00 42.05 H new ATOM 0 HG21 ILE A 82 -1.178 7.554 -16.394 1.00 64.53 H new ATOM 0 HG22 ILE A 82 -0.479 9.182 -16.231 1.00 64.53 H new ATOM 0 HG23 ILE A 82 0.094 7.860 -15.187 1.00 64.53 H new ATOM 0 HD11 ILE A 82 -3.857 5.899 -13.935 1.00 54.11 H new ATOM 0 HD12 ILE A 82 -4.383 7.519 -14.451 1.00 54.11 H new ATOM 0 HD13 ILE A 82 -3.409 6.510 -15.546 1.00 54.11 H new ATOM 1300 N ALA A 83 -1.699 11.776 -14.780 1.00 71.14 N ATOM 1301 CA ALA A 83 -1.345 12.986 -15.512 1.00 13.43 C ATOM 1302 C ALA A 83 -0.305 13.802 -14.752 1.00 14.54 C ATOM 1303 O ALA A 83 0.646 14.317 -15.340 1.00 61.41 O ATOM 1304 CB ALA A 83 -2.585 13.825 -15.778 1.00 1.55 C ATOM 0 H ALA A 83 -2.694 11.683 -14.576 1.00 71.14 H new ATOM 0 HA ALA A 83 -0.910 12.689 -16.466 1.00 13.43 H new ATOM 0 HB1 ALA A 83 -2.305 14.725 -16.325 1.00 1.55 H new ATOM 0 HB2 ALA A 83 -3.295 13.247 -16.369 1.00 1.55 H new ATOM 0 HB3 ALA A 83 -3.045 14.105 -14.830 1.00 1.55 H new ATOM 1310 N VAL A 84 -0.492 13.917 -13.441 1.00 11.01 N ATOM 1311 CA VAL A 84 0.430 14.670 -12.600 1.00 21.41 C ATOM 1312 C VAL A 84 1.734 13.908 -12.393 1.00 23.30 C ATOM 1313 O VAL A 84 2.780 14.505 -12.134 1.00 43.11 O ATOM 1314 CB VAL A 84 -0.192 14.984 -11.226 1.00 22.14 C ATOM 1315 CG1 VAL A 84 0.686 15.956 -10.452 1.00 25.44 C ATOM 1316 CG2 VAL A 84 -1.599 15.538 -11.391 1.00 61.45 C ATOM 0 H VAL A 84 -1.274 13.498 -12.938 1.00 11.01 H new ATOM 0 HA VAL A 84 0.638 15.606 -13.119 1.00 21.41 H new ATOM 0 HB VAL A 84 -0.257 14.057 -10.656 1.00 22.14 H new ATOM 0 HG11 VAL A 84 0.231 16.166 -9.484 1.00 25.44 H new ATOM 0 HG12 VAL A 84 1.672 15.515 -10.301 1.00 25.44 H new ATOM 0 HG13 VAL A 84 0.786 16.884 -11.015 1.00 25.44 H new ATOM 0 HG21 VAL A 84 -2.022 15.754 -10.410 1.00 61.45 H new ATOM 0 HG22 VAL A 84 -1.562 16.454 -11.980 1.00 61.45 H new ATOM 0 HG23 VAL A 84 -2.222 14.803 -11.901 1.00 61.45 H new ATOM 1326 N LEU A 85 1.665 12.587 -12.510 1.00 51.21 N ATOM 1327 CA LEU A 85 2.840 11.741 -12.337 1.00 33.33 C ATOM 1328 C LEU A 85 3.725 11.777 -13.579 1.00 15.12 C ATOM 1329 O LEU A 85 4.913 11.459 -13.517 1.00 21.22 O ATOM 1330 CB LEU A 85 2.418 10.301 -12.040 1.00 3.23 C ATOM 1331 CG LEU A 85 3.321 9.520 -11.085 1.00 2.13 C ATOM 1332 CD1 LEU A 85 2.518 8.983 -9.909 1.00 62.44 C ATOM 1333 CD2 LEU A 85 4.019 8.385 -11.819 1.00 31.04 C ATOM 0 H LEU A 85 0.807 12.078 -12.724 1.00 51.21 H new ATOM 0 HA LEU A 85 3.413 12.127 -11.494 1.00 33.33 H new ATOM 0 HB2 LEU A 85 1.411 10.317 -11.624 1.00 3.23 H new ATOM 0 HB3 LEU A 85 2.364 9.757 -12.983 1.00 3.23 H new ATOM 0 HG LEU A 85 4.082 10.199 -10.699 1.00 2.13 H new ATOM 0 HD11 LEU A 85 3.178 8.430 -9.240 1.00 62.44 H new ATOM 0 HD12 LEU A 85 2.066 9.814 -9.367 1.00 62.44 H new ATOM 0 HD13 LEU A 85 1.735 8.320 -10.276 1.00 62.44 H new ATOM 0 HD21 LEU A 85 4.657 7.840 -11.124 1.00 31.04 H new ATOM 0 HD22 LEU A 85 3.273 7.707 -12.234 1.00 31.04 H new ATOM 0 HD23 LEU A 85 4.627 8.793 -12.626 1.00 31.04 H new ATOM 1345 N TYR A 86 3.139 12.169 -14.705 1.00 52.04 N ATOM 1346 CA TYR A 86 3.874 12.247 -15.962 1.00 64.20 C ATOM 1347 C TYR A 86 4.606 13.579 -16.084 1.00 32.53 C ATOM 1348 O TYR A 86 5.755 13.632 -16.524 1.00 51.42 O ATOM 1349 CB TYR A 86 2.922 12.066 -17.145 1.00 43.14 C ATOM 1350 CG TYR A 86 3.593 12.220 -18.492 1.00 0.43 C ATOM 1351 CD1 TYR A 86 4.207 11.139 -19.111 1.00 71.04 C ATOM 1352 CD2 TYR A 86 3.611 13.447 -19.144 1.00 55.24 C ATOM 1353 CE1 TYR A 86 4.823 11.276 -20.341 1.00 24.34 C ATOM 1354 CE2 TYR A 86 4.223 13.592 -20.374 1.00 52.10 C ATOM 1355 CZ TYR A 86 4.827 12.504 -20.969 1.00 15.22 C ATOM 1356 OH TYR A 86 5.437 12.644 -22.194 1.00 34.13 O ATOM 0 H TYR A 86 2.157 12.438 -14.773 1.00 52.04 H new ATOM 0 HA TYR A 86 4.613 11.445 -15.972 1.00 64.20 H new ATOM 0 HB2 TYR A 86 2.467 11.077 -17.086 1.00 43.14 H new ATOM 0 HB3 TYR A 86 2.115 12.794 -17.065 1.00 43.14 H new ATOM 0 HD1 TYR A 86 4.203 10.175 -18.623 1.00 71.04 H new ATOM 0 HD2 TYR A 86 3.139 14.301 -18.682 1.00 55.24 H new ATOM 0 HE1 TYR A 86 5.299 10.426 -20.808 1.00 24.34 H new ATOM 0 HE2 TYR A 86 4.228 14.553 -20.867 1.00 52.10 H new ATOM 0 HH TYR A 86 5.349 13.571 -22.499 1.00 34.13 H new ATOM 1366 N CYS A 87 3.933 14.655 -15.688 1.00 51.32 N ATOM 1367 CA CYS A 87 4.518 15.989 -15.752 1.00 73.41 C ATOM 1368 C CYS A 87 5.772 16.075 -14.889 1.00 33.03 C ATOM 1369 O CYS A 87 6.672 16.871 -15.159 1.00 4.42 O ATOM 1370 CB CYS A 87 3.500 17.037 -15.300 1.00 34.15 C ATOM 1371 SG CYS A 87 3.222 17.073 -13.513 1.00 52.42 S ATOM 0 H CYS A 87 2.982 14.629 -15.320 1.00 51.32 H new ATOM 0 HA CYS A 87 4.797 16.187 -16.787 1.00 73.41 H new ATOM 0 HB2 CYS A 87 3.839 18.021 -15.624 1.00 34.15 H new ATOM 0 HB3 CYS A 87 2.551 16.846 -15.801 1.00 34.15 H new ATOM 0 HG CYS A 87 3.172 15.857 -13.057 1.00 52.42 H new ATOM 1377 N VAL A 88 5.825 15.250 -13.847 1.00 52.13 N ATOM 1378 CA VAL A 88 6.969 15.233 -12.943 1.00 54.41 C ATOM 1379 C VAL A 88 8.214 14.698 -13.642 1.00 24.32 C ATOM 1380 O VAL A 88 9.325 15.175 -13.407 1.00 1.42 O ATOM 1381 CB VAL A 88 6.686 14.375 -11.696 1.00 45.33 C ATOM 1382 CG1 VAL A 88 7.924 14.282 -10.818 1.00 54.42 C ATOM 1383 CG2 VAL A 88 5.510 14.942 -10.915 1.00 71.42 C ATOM 0 H VAL A 88 5.089 14.585 -13.609 1.00 52.13 H new ATOM 0 HA VAL A 88 7.144 16.264 -12.634 1.00 54.41 H new ATOM 0 HB VAL A 88 6.425 13.368 -12.022 1.00 45.33 H new ATOM 0 HG11 VAL A 88 7.704 13.672 -9.942 1.00 54.42 H new ATOM 0 HG12 VAL A 88 8.737 13.826 -11.383 1.00 54.42 H new ATOM 0 HG13 VAL A 88 8.220 15.281 -10.499 1.00 54.42 H new ATOM 0 HG21 VAL A 88 5.324 14.323 -10.037 1.00 71.42 H new ATOM 0 HG22 VAL A 88 5.740 15.960 -10.600 1.00 71.42 H new ATOM 0 HG23 VAL A 88 4.623 14.950 -11.548 1.00 71.42 H new ATOM 1393 N HIS A 89 8.021 13.705 -14.504 1.00 41.31 N ATOM 1394 CA HIS A 89 9.129 13.104 -15.240 1.00 11.12 C ATOM 1395 C HIS A 89 9.486 13.944 -16.464 1.00 33.35 C ATOM 1396 O HIS A 89 10.677 14.188 -16.653 1.00 1.04 O ATOM 1397 CB HIS A 89 8.771 11.681 -15.671 1.00 35.12 C ATOM 1398 CG HIS A 89 8.461 10.769 -14.525 1.00 12.21 C ATOM 1399 ND1 HIS A 89 9.304 10.601 -13.447 1.00 23.42 N ATOM 1400 CD2 HIS A 89 7.393 9.972 -14.292 1.00 11.14 C ATOM 1401 CE1 HIS A 89 8.767 9.740 -12.601 1.00 14.13 C ATOM 1402 NE2 HIS A 89 7.606 9.344 -13.090 1.00 41.23 N ATOM 0 H HIS A 89 7.108 13.299 -14.710 1.00 41.31 H new ATOM 0 HA HIS A 89 9.995 13.068 -14.579 1.00 11.12 H new ATOM 0 HB2 HIS A 89 7.910 11.718 -16.338 1.00 35.12 H new ATOM 0 HB3 HIS A 89 9.600 11.264 -16.243 1.00 35.12 H new ATOM 0 HD1 HIS A 89 10.202 11.068 -13.322 1.00 23.42 H new ATOM 0 HD2 HIS A 89 6.532 9.852 -14.933 1.00 11.14 H new ATOM 0 HE1 HIS A 89 9.203 9.415 -11.668 1.00 14.13 H new ATOM 0 HE2 HIS A 89 6.971 8.680 -12.647 1.00 41.23 H new ATOM 1411 N GLN A 90 8.521 14.377 -17.269 1.00 11.33 N ATOM 1412 CA GLN A 90 8.814 15.181 -18.448 1.00 54.15 C ATOM 1413 C GLN A 90 9.088 16.631 -18.065 1.00 21.53 C ATOM 1414 O GLN A 90 9.420 17.457 -18.916 1.00 24.45 O ATOM 1415 CB GLN A 90 7.651 15.114 -19.439 1.00 42.25 C ATOM 1416 CG GLN A 90 7.941 14.256 -20.661 1.00 20.51 C ATOM 1417 CD GLN A 90 9.096 14.787 -21.486 1.00 71.53 C ATOM 1418 OE1 GLN A 90 10.262 14.576 -21.152 1.00 15.22 O ATOM 1419 NE2 GLN A 90 8.778 15.482 -22.572 1.00 33.25 N ATOM 0 H GLN A 90 7.530 14.184 -17.126 1.00 11.33 H new ATOM 0 HA GLN A 90 9.708 14.774 -18.920 1.00 54.15 H new ATOM 0 HB2 GLN A 90 6.772 14.720 -18.929 1.00 42.25 H new ATOM 0 HB3 GLN A 90 7.404 16.124 -19.765 1.00 42.25 H new ATOM 0 HG2 GLN A 90 8.166 13.239 -20.341 1.00 20.51 H new ATOM 0 HG3 GLN A 90 7.048 14.204 -21.284 1.00 20.51 H new ATOM 0 HE21 GLN A 90 7.798 15.633 -22.812 1.00 33.25 H new ATOM 0 HE22 GLN A 90 9.514 15.865 -23.166 1.00 33.25 H new ATOM 1428 N ARG A 91 8.946 16.935 -16.778 1.00 55.42 N ATOM 1429 CA ARG A 91 9.177 18.286 -16.282 1.00 44.31 C ATOM 1430 C ARG A 91 8.195 19.271 -16.911 1.00 52.40 C ATOM 1431 O ARG A 91 8.581 20.357 -17.341 1.00 31.32 O ATOM 1432 CB ARG A 91 10.613 18.723 -16.578 1.00 13.53 C ATOM 1433 CG ARG A 91 11.653 17.668 -16.236 1.00 63.11 C ATOM 1434 CD ARG A 91 13.018 18.290 -15.991 1.00 61.35 C ATOM 1435 NE ARG A 91 14.043 17.280 -15.741 1.00 11.15 N ATOM 1436 CZ ARG A 91 15.342 17.551 -15.678 1.00 61.31 C ATOM 1437 NH1 ARG A 91 15.772 18.794 -15.847 1.00 62.15 N ATOM 1438 NH2 ARG A 91 16.214 16.577 -15.446 1.00 62.54 N ATOM 0 H ARG A 91 8.672 16.263 -16.061 1.00 55.42 H new ATOM 0 HA ARG A 91 9.021 18.281 -15.203 1.00 44.31 H new ATOM 0 HB2 ARG A 91 10.697 18.974 -17.635 1.00 13.53 H new ATOM 0 HB3 ARG A 91 10.831 19.631 -16.016 1.00 13.53 H new ATOM 0 HG2 ARG A 91 11.338 17.119 -15.349 1.00 63.11 H new ATOM 0 HG3 ARG A 91 11.722 16.946 -17.050 1.00 63.11 H new ATOM 0 HD2 ARG A 91 13.303 18.890 -16.855 1.00 61.35 H new ATOM 0 HD3 ARG A 91 12.960 18.967 -15.138 1.00 61.35 H new ATOM 0 HE ARG A 91 13.745 16.314 -15.607 1.00 11.15 H new ATOM 0 HH11 ARG A 91 15.105 19.545 -16.026 1.00 62.15 H new ATOM 0 HH12 ARG A 91 16.770 19.000 -15.798 1.00 62.15 H new ATOM 0 HH21 ARG A 91 15.887 15.620 -15.316 1.00 62.54 H new ATOM 0 HH22 ARG A 91 17.211 16.786 -15.398 1.00 62.54 H new ATOM 1452 N ILE A 92 6.925 18.882 -16.960 1.00 73.32 N ATOM 1453 CA ILE A 92 5.889 19.731 -17.535 1.00 30.13 C ATOM 1454 C ILE A 92 5.271 20.638 -16.476 1.00 72.31 C ATOM 1455 O ILE A 92 4.510 20.183 -15.623 1.00 1.21 O ATOM 1456 CB ILE A 92 4.776 18.894 -18.191 1.00 3.44 C ATOM 1457 CG1 ILE A 92 5.357 18.007 -19.294 1.00 44.44 C ATOM 1458 CG2 ILE A 92 3.689 19.801 -18.750 1.00 52.01 C ATOM 1459 CD1 ILE A 92 4.547 16.755 -19.553 1.00 74.11 C ATOM 0 H ILE A 92 6.589 17.985 -16.609 1.00 73.32 H new ATOM 0 HA ILE A 92 6.370 20.343 -18.298 1.00 30.13 H new ATOM 0 HB ILE A 92 4.330 18.252 -17.432 1.00 3.44 H new ATOM 0 HG12 ILE A 92 5.423 18.584 -20.216 1.00 44.44 H new ATOM 0 HG13 ILE A 92 6.374 17.723 -19.022 1.00 44.44 H new ATOM 0 HG21 ILE A 92 2.910 19.194 -19.210 1.00 52.01 H new ATOM 0 HG22 ILE A 92 3.258 20.393 -17.942 1.00 52.01 H new ATOM 0 HG23 ILE A 92 4.120 20.467 -19.498 1.00 52.01 H new ATOM 0 HD11 ILE A 92 5.018 16.175 -20.347 1.00 74.11 H new ATOM 0 HD12 ILE A 92 4.502 16.156 -18.643 1.00 74.11 H new ATOM 0 HD13 ILE A 92 3.537 17.031 -19.856 1.00 74.11 H new ATOM 1471 N ASP A 93 5.603 21.922 -16.540 1.00 24.33 N ATOM 1472 CA ASP A 93 5.078 22.895 -15.588 1.00 41.11 C ATOM 1473 C ASP A 93 3.561 22.783 -15.476 1.00 51.41 C ATOM 1474 O ASP A 93 2.856 22.718 -16.483 1.00 52.24 O ATOM 1475 CB ASP A 93 5.466 24.313 -16.009 1.00 52.15 C ATOM 1476 CG ASP A 93 6.243 25.045 -14.933 1.00 13.13 C ATOM 1477 OD1 ASP A 93 5.973 24.802 -13.738 1.00 42.10 O ATOM 1478 OD2 ASP A 93 7.121 25.861 -15.284 1.00 62.33 O ATOM 0 H ASP A 93 6.233 22.314 -17.240 1.00 24.33 H new ATOM 0 HA ASP A 93 5.513 22.681 -14.612 1.00 41.11 H new ATOM 0 HB2 ASP A 93 6.065 24.268 -16.918 1.00 52.15 H new ATOM 0 HB3 ASP A 93 4.565 24.877 -16.249 1.00 52.15 H new ATOM 1483 N VAL A 94 3.063 22.758 -14.244 1.00 13.43 N ATOM 1484 CA VAL A 94 1.630 22.652 -13.999 1.00 42.11 C ATOM 1485 C VAL A 94 1.239 23.361 -12.708 1.00 23.42 C ATOM 1486 O VAL A 94 1.827 23.124 -11.653 1.00 42.31 O ATOM 1487 CB VAL A 94 1.180 21.181 -13.921 1.00 13.35 C ATOM 1488 CG1 VAL A 94 1.248 20.528 -15.293 1.00 33.04 C ATOM 1489 CG2 VAL A 94 2.030 20.418 -12.916 1.00 3.34 C ATOM 0 H VAL A 94 3.632 22.810 -13.399 1.00 13.43 H new ATOM 0 HA VAL A 94 1.130 23.132 -14.840 1.00 42.11 H new ATOM 0 HB VAL A 94 0.144 21.153 -13.583 1.00 13.35 H new ATOM 0 HG11 VAL A 94 0.926 19.489 -15.218 1.00 33.04 H new ATOM 0 HG12 VAL A 94 0.594 21.061 -15.983 1.00 33.04 H new ATOM 0 HG13 VAL A 94 2.273 20.565 -15.663 1.00 33.04 H new ATOM 0 HG21 VAL A 94 1.699 19.380 -12.873 1.00 3.34 H new ATOM 0 HG22 VAL A 94 3.075 20.453 -13.223 1.00 3.34 H new ATOM 0 HG23 VAL A 94 1.925 20.873 -11.931 1.00 3.34 H new ATOM 1499 N LYS A 95 0.241 24.234 -12.797 1.00 43.23 N ATOM 1500 CA LYS A 95 -0.232 24.978 -11.636 1.00 22.22 C ATOM 1501 C LYS A 95 -1.130 24.109 -10.762 1.00 62.13 C ATOM 1502 O LYS A 95 -1.445 24.469 -9.627 1.00 13.32 O ATOM 1503 CB LYS A 95 -0.993 26.230 -12.081 1.00 51.42 C ATOM 1504 CG LYS A 95 -1.061 27.311 -11.016 1.00 52.34 C ATOM 1505 CD LYS A 95 -2.386 28.052 -11.060 1.00 32.41 C ATOM 1506 CE LYS A 95 -2.180 29.558 -11.122 1.00 43.35 C ATOM 1507 NZ LYS A 95 -2.065 30.044 -12.525 1.00 71.03 N ATOM 0 H LYS A 95 -0.256 24.444 -13.663 1.00 43.23 H new ATOM 0 HA LYS A 95 0.637 25.278 -11.050 1.00 22.22 H new ATOM 0 HB2 LYS A 95 -0.515 26.638 -12.971 1.00 51.42 H new ATOM 0 HB3 LYS A 95 -2.007 25.947 -12.365 1.00 51.42 H new ATOM 0 HG2 LYS A 95 -0.926 26.863 -10.032 1.00 52.34 H new ATOM 0 HG3 LYS A 95 -0.243 28.017 -11.160 1.00 52.34 H new ATOM 0 HD2 LYS A 95 -2.958 27.726 -11.929 1.00 32.41 H new ATOM 0 HD3 LYS A 95 -2.975 27.800 -10.178 1.00 32.41 H new ATOM 0 HE2 LYS A 95 -3.014 30.059 -10.631 1.00 43.35 H new ATOM 0 HE3 LYS A 95 -1.279 29.824 -10.570 1.00 43.35 H new ATOM 0 HZ1 LYS A 95 -1.926 31.075 -12.525 1.00 71.03 H new ATOM 0 HZ2 LYS A 95 -1.254 29.585 -12.986 1.00 71.03 H new ATOM 0 HZ3 LYS A 95 -2.935 29.812 -13.045 1.00 71.03 H new ATOM 1521 N ASP A 96 -1.539 22.964 -11.297 1.00 3.33 N ATOM 1522 CA ASP A 96 -2.400 22.042 -10.564 1.00 51.24 C ATOM 1523 C ASP A 96 -2.779 20.846 -11.432 1.00 42.23 C ATOM 1524 O ASP A 96 -2.352 20.739 -12.582 1.00 42.53 O ATOM 1525 CB ASP A 96 -3.661 22.761 -10.083 1.00 41.44 C ATOM 1526 CG ASP A 96 -4.240 23.681 -11.139 1.00 5.11 C ATOM 1527 OD1 ASP A 96 -4.571 23.190 -12.239 1.00 21.23 O ATOM 1528 OD2 ASP A 96 -4.364 24.893 -10.865 1.00 4.32 O ATOM 0 H ASP A 96 -1.289 22.652 -12.235 1.00 3.33 H new ATOM 0 HA ASP A 96 -1.847 21.678 -9.698 1.00 51.24 H new ATOM 0 HB2 ASP A 96 -4.410 22.023 -9.798 1.00 41.44 H new ATOM 0 HB3 ASP A 96 -3.427 23.340 -9.189 1.00 41.44 H new ATOM 1533 N THR A 97 -3.585 19.948 -10.875 1.00 24.13 N ATOM 1534 CA THR A 97 -4.021 18.760 -11.597 1.00 3.54 C ATOM 1535 C THR A 97 -4.914 19.129 -12.775 1.00 55.24 C ATOM 1536 O THR A 97 -5.240 18.284 -13.609 1.00 53.24 O ATOM 1537 CB THR A 97 -4.784 17.790 -10.673 1.00 42.13 C ATOM 1538 OG1 THR A 97 -4.025 17.546 -9.484 1.00 54.44 O ATOM 1539 CG2 THR A 97 -5.063 16.474 -11.384 1.00 13.22 C ATOM 0 H THR A 97 -3.949 20.021 -9.925 1.00 24.13 H new ATOM 0 HA THR A 97 -3.122 18.267 -11.967 1.00 3.54 H new ATOM 0 HB THR A 97 -5.736 18.249 -10.406 1.00 42.13 H new ATOM 0 HG1 THR A 97 -3.808 16.592 -9.424 1.00 54.44 H new ATOM 0 HG21 THR A 97 -5.602 15.805 -10.713 1.00 13.22 H new ATOM 0 HG22 THR A 97 -5.667 16.661 -12.272 1.00 13.22 H new ATOM 0 HG23 THR A 97 -4.120 16.012 -11.677 1.00 13.22 H new ATOM 1547 N LYS A 98 -5.306 20.397 -12.840 1.00 50.23 N ATOM 1548 CA LYS A 98 -6.159 20.880 -13.919 1.00 43.51 C ATOM 1549 C LYS A 98 -5.333 21.223 -15.155 1.00 51.40 C ATOM 1550 O LYS A 98 -5.666 20.816 -16.268 1.00 3.14 O ATOM 1551 CB LYS A 98 -6.947 22.109 -13.463 1.00 22.13 C ATOM 1552 CG LYS A 98 -8.403 22.095 -13.898 1.00 32.34 C ATOM 1553 CD LYS A 98 -9.258 21.265 -12.956 1.00 34.23 C ATOM 1554 CE LYS A 98 -10.323 20.485 -13.711 1.00 20.32 C ATOM 1555 NZ LYS A 98 -10.222 19.021 -13.459 1.00 10.55 N ATOM 0 H LYS A 98 -5.046 21.109 -12.157 1.00 50.23 H new ATOM 0 HA LYS A 98 -6.857 20.084 -14.179 1.00 43.51 H new ATOM 0 HB2 LYS A 98 -6.902 22.176 -12.376 1.00 22.13 H new ATOM 0 HB3 LYS A 98 -6.467 23.005 -13.858 1.00 22.13 H new ATOM 0 HG2 LYS A 98 -8.783 23.116 -13.932 1.00 32.34 H new ATOM 0 HG3 LYS A 98 -8.478 21.693 -14.908 1.00 32.34 H new ATOM 0 HD2 LYS A 98 -8.624 20.573 -12.401 1.00 34.23 H new ATOM 0 HD3 LYS A 98 -9.734 21.918 -12.224 1.00 34.23 H new ATOM 0 HE2 LYS A 98 -11.311 20.837 -13.413 1.00 20.32 H new ATOM 0 HE3 LYS A 98 -10.225 20.677 -14.779 1.00 20.32 H new ATOM 0 HZ1 LYS A 98 -10.965 18.525 -13.991 1.00 10.55 H new ATOM 0 HZ2 LYS A 98 -9.289 18.679 -13.766 1.00 10.55 H new ATOM 0 HZ3 LYS A 98 -10.341 18.835 -12.443 1.00 10.55 H new ATOM 1569 N GLU A 99 -4.254 21.972 -14.950 1.00 41.02 N ATOM 1570 CA GLU A 99 -3.380 22.368 -16.049 1.00 22.40 C ATOM 1571 C GLU A 99 -2.504 21.202 -16.494 1.00 70.14 C ATOM 1572 O GLU A 99 -1.935 21.221 -17.586 1.00 24.01 O ATOM 1573 CB GLU A 99 -2.502 23.549 -15.631 1.00 33.43 C ATOM 1574 CG GLU A 99 -2.562 24.724 -16.594 1.00 3.42 C ATOM 1575 CD GLU A 99 -3.843 25.523 -16.461 1.00 42.20 C ATOM 1576 OE1 GLU A 99 -4.589 25.290 -15.487 1.00 22.33 O ATOM 1577 OE2 GLU A 99 -4.099 26.382 -17.331 1.00 72.01 O ATOM 0 H GLU A 99 -3.964 22.316 -14.035 1.00 41.02 H new ATOM 0 HA GLU A 99 -4.007 22.670 -16.888 1.00 22.40 H new ATOM 0 HB2 GLU A 99 -2.808 23.886 -14.641 1.00 33.43 H new ATOM 0 HB3 GLU A 99 -1.469 23.211 -15.547 1.00 33.43 H new ATOM 0 HG2 GLU A 99 -1.709 25.379 -16.415 1.00 3.42 H new ATOM 0 HG3 GLU A 99 -2.472 24.356 -17.616 1.00 3.42 H new ATOM 1584 N ALA A 100 -2.399 20.188 -15.642 1.00 45.43 N ATOM 1585 CA ALA A 100 -1.594 19.012 -15.948 1.00 63.12 C ATOM 1586 C ALA A 100 -2.348 18.053 -16.864 1.00 24.22 C ATOM 1587 O ALA A 100 -1.742 17.260 -17.585 1.00 51.02 O ATOM 1588 CB ALA A 100 -1.183 18.305 -14.665 1.00 22.45 C ATOM 0 H ALA A 100 -2.862 20.157 -14.734 1.00 45.43 H new ATOM 0 HA ALA A 100 -0.697 19.343 -16.471 1.00 63.12 H new ATOM 0 HB1 ALA A 100 -0.582 17.429 -14.909 1.00 22.45 H new ATOM 0 HB2 ALA A 100 -0.598 18.985 -14.046 1.00 22.45 H new ATOM 0 HB3 ALA A 100 -2.074 17.994 -14.120 1.00 22.45 H new ATOM 1594 N LEU A 101 -3.674 18.129 -16.829 1.00 1.12 N ATOM 1595 CA LEU A 101 -4.512 17.268 -17.656 1.00 11.41 C ATOM 1596 C LEU A 101 -4.699 17.861 -19.047 1.00 72.41 C ATOM 1597 O LEU A 101 -4.758 17.136 -20.041 1.00 33.02 O ATOM 1598 CB LEU A 101 -5.873 17.058 -16.991 1.00 5.43 C ATOM 1599 CG LEU A 101 -6.476 15.657 -17.120 1.00 74.14 C ATOM 1600 CD1 LEU A 101 -6.542 15.238 -18.580 1.00 13.21 C ATOM 1601 CD2 LEU A 101 -5.668 14.654 -16.310 1.00 52.23 C ATOM 0 H LEU A 101 -4.192 18.778 -16.237 1.00 1.12 H new ATOM 0 HA LEU A 101 -4.011 16.305 -17.758 1.00 11.41 H new ATOM 0 HB2 LEU A 101 -5.777 17.294 -15.931 1.00 5.43 H new ATOM 0 HB3 LEU A 101 -6.576 17.775 -17.415 1.00 5.43 H new ATOM 0 HG LEU A 101 -7.491 15.680 -16.724 1.00 74.14 H new ATOM 0 HD11 LEU A 101 -6.973 14.240 -18.653 1.00 13.21 H new ATOM 0 HD12 LEU A 101 -7.163 15.943 -19.133 1.00 13.21 H new ATOM 0 HD13 LEU A 101 -5.537 15.231 -19.002 1.00 13.21 H new ATOM 0 HD21 LEU A 101 -6.110 13.663 -16.413 1.00 52.23 H new ATOM 0 HD22 LEU A 101 -4.642 14.633 -16.676 1.00 52.23 H new ATOM 0 HD23 LEU A 101 -5.673 14.946 -15.260 1.00 52.23 H new ATOM 1613 N ASP A 102 -4.790 19.186 -19.112 1.00 53.44 N ATOM 1614 CA ASP A 102 -4.966 19.878 -20.384 1.00 21.24 C ATOM 1615 C ASP A 102 -3.659 19.913 -21.170 1.00 62.11 C ATOM 1616 O ASP A 102 -3.663 19.924 -22.401 1.00 75.22 O ATOM 1617 CB ASP A 102 -5.471 21.302 -20.146 1.00 63.42 C ATOM 1618 CG ASP A 102 -5.750 22.042 -21.441 1.00 52.43 C ATOM 1619 OD1 ASP A 102 -4.796 22.258 -22.218 1.00 51.40 O ATOM 1620 OD2 ASP A 102 -6.921 22.403 -21.677 1.00 50.52 O ATOM 0 H ASP A 102 -4.745 19.801 -18.300 1.00 53.44 H new ATOM 0 HA ASP A 102 -5.705 19.330 -20.969 1.00 21.24 H new ATOM 0 HB2 ASP A 102 -6.382 21.266 -19.548 1.00 63.42 H new ATOM 0 HB3 ASP A 102 -4.731 21.855 -19.567 1.00 63.42 H new ATOM 1625 N LYS A 103 -2.542 19.931 -20.451 1.00 1.33 N ATOM 1626 CA LYS A 103 -1.227 19.963 -21.079 1.00 60.14 C ATOM 1627 C LYS A 103 -0.886 18.611 -21.698 1.00 60.50 C ATOM 1628 O LYS A 103 -0.158 18.538 -22.688 1.00 74.05 O ATOM 1629 CB LYS A 103 -0.159 20.352 -20.054 1.00 72.23 C ATOM 1630 CG LYS A 103 0.154 21.838 -20.037 1.00 20.41 C ATOM 1631 CD LYS A 103 0.864 22.274 -21.308 1.00 21.22 C ATOM 1632 CE LYS A 103 1.726 23.505 -21.070 1.00 44.41 C ATOM 1633 NZ LYS A 103 2.965 23.482 -21.895 1.00 50.32 N ATOM 0 H LYS A 103 -2.521 19.924 -19.431 1.00 1.33 H new ATOM 0 HA LYS A 103 -1.249 20.710 -21.873 1.00 60.14 H new ATOM 0 HB2 LYS A 103 -0.492 20.048 -19.062 1.00 72.23 H new ATOM 0 HB3 LYS A 103 0.756 19.799 -20.267 1.00 72.23 H new ATOM 0 HG2 LYS A 103 -0.771 22.404 -19.923 1.00 20.41 H new ATOM 0 HG3 LYS A 103 0.778 22.069 -19.173 1.00 20.41 H new ATOM 0 HD2 LYS A 103 1.486 21.458 -21.677 1.00 21.22 H new ATOM 0 HD3 LYS A 103 0.127 22.488 -22.082 1.00 21.22 H new ATOM 0 HE2 LYS A 103 1.151 24.401 -21.303 1.00 44.41 H new ATOM 0 HE3 LYS A 103 1.993 23.563 -20.015 1.00 44.41 H new ATOM 0 HZ1 LYS A 103 3.525 24.337 -21.704 1.00 50.32 H new ATOM 0 HZ2 LYS A 103 3.526 22.640 -21.655 1.00 50.32 H new ATOM 0 HZ3 LYS A 103 2.710 23.453 -22.903 1.00 50.32 H new ATOM 1647 N ILE A 104 -1.416 17.546 -21.108 1.00 43.15 N ATOM 1648 CA ILE A 104 -1.169 16.197 -21.603 1.00 62.20 C ATOM 1649 C ILE A 104 -2.224 15.784 -22.623 1.00 43.35 C ATOM 1650 O ILE A 104 -1.990 14.904 -23.451 1.00 70.42 O ATOM 1651 CB ILE A 104 -1.150 15.170 -20.455 1.00 45.23 C ATOM 1652 CG1 ILE A 104 -0.078 15.539 -19.429 1.00 50.34 C ATOM 1653 CG2 ILE A 104 -0.912 13.771 -21.001 1.00 12.20 C ATOM 1654 CD1 ILE A 104 -0.136 14.706 -18.168 1.00 44.54 C ATOM 0 H ILE A 104 -2.019 17.590 -20.287 1.00 43.15 H new ATOM 0 HA ILE A 104 -0.190 16.211 -22.082 1.00 62.20 H new ATOM 0 HB ILE A 104 -2.120 15.184 -19.958 1.00 45.23 H new ATOM 0 HG12 ILE A 104 0.905 15.424 -19.886 1.00 50.34 H new ATOM 0 HG13 ILE A 104 -0.186 16.591 -19.165 1.00 50.34 H new ATOM 0 HG21 ILE A 104 -0.901 13.056 -20.178 1.00 12.20 H new ATOM 0 HG22 ILE A 104 -1.710 13.511 -21.697 1.00 12.20 H new ATOM 0 HG23 ILE A 104 0.046 13.741 -21.520 1.00 12.20 H new ATOM 0 HD11 ILE A 104 0.653 15.023 -17.486 1.00 44.54 H new ATOM 0 HD12 ILE A 104 -1.106 14.839 -17.688 1.00 44.54 H new ATOM 0 HD13 ILE A 104 0.003 13.655 -18.420 1.00 44.54 H new