USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 822 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 165:sc= 1.23 USER MOD Set 1.2: A 97 THR OG1 : rot 42:sc= 0.296 USER MOD Single : A 9 SER OG : rot 180:sc= -0.503 USER MOD Single : A 15 LYS NZ :NH3+ -161:sc= -0.0175 (180deg=-0.212) 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= 0.0966 K(o=0.097,f=-1.7!) 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= -2.96! C(o=-3!,f=-8.7!) USER MOD Single : A 38 SER OG : rot 180:sc=-0.00693 USER MOD Single : A 47 ASN : amide:sc= -0.202 K(o=-0.2,f=-3.1!) USER MOD Single : A 53 THR OG1 : rot -18:sc= 1.12 USER MOD Single : A 54 SER OG : rot 180:sc= -0.266 USER MOD Single : A 57 CYS SG : rot -160:sc= -0.917 USER MOD Single : A 59 GLN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 65 GLN : amide:sc= -0.0628 X(o=-0.063,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0476 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.0215 USER MOD Single : A 80 ASN : amide:sc= -0.432 K(o=-0.43,f=-1.8) USER MOD Single : A 81 THR OG1 : rot 71:sc=0.000132 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -150:sc= -0.341 USER MOD Single : A 89 HIS : no HD1:sc= -0.668 K(o=-0.11,f=-4.2!) USER MOD Single : A 90 GLN : amide:sc= -0.435 K(o=-0.44,f=-4.2!) 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 -9.413 5.245 -9.225 1.00 1.01 N ATOM 64 CA VAL A 7 -9.352 6.598 -9.764 1.00 3.33 C ATOM 65 C VAL A 7 -10.485 7.459 -9.218 1.00 72.34 C ATOM 66 O VAL A 7 -10.272 8.605 -8.819 1.00 21.13 O ATOM 67 CB VAL A 7 -9.424 6.592 -11.304 1.00 62.35 C ATOM 68 CG1 VAL A 7 -9.314 8.008 -11.849 1.00 73.43 C ATOM 69 CG2 VAL A 7 -8.335 5.702 -11.884 1.00 41.25 C ATOM 0 HA VAL A 7 -8.396 7.020 -9.453 1.00 3.33 H new ATOM 0 HB VAL A 7 -10.390 6.187 -11.604 1.00 62.35 H new ATOM 0 HG11 VAL A 7 -9.367 7.984 -12.937 1.00 73.43 H new ATOM 0 HG12 VAL A 7 -10.133 8.613 -11.459 1.00 73.43 H new ATOM 0 HG13 VAL A 7 -8.363 8.443 -11.541 1.00 73.43 H new ATOM 0 HG21 VAL A 7 -8.400 5.709 -12.972 1.00 41.25 H new ATOM 0 HG22 VAL A 7 -7.358 6.075 -11.577 1.00 41.25 H new ATOM 0 HG23 VAL A 7 -8.465 4.683 -11.519 1.00 41.25 H new ATOM 79 N LEU A 8 -11.691 6.901 -9.200 1.00 22.34 N ATOM 80 CA LEU A 8 -12.858 7.618 -8.701 1.00 44.10 C ATOM 81 C LEU A 8 -13.323 7.039 -7.368 1.00 45.44 C ATOM 82 O LEU A 8 -13.348 5.822 -7.183 1.00 74.13 O ATOM 83 CB LEU A 8 -13.995 7.554 -9.722 1.00 43.35 C ATOM 84 CG LEU A 8 -13.725 8.222 -11.070 1.00 22.12 C ATOM 85 CD1 LEU A 8 -14.954 8.141 -11.963 1.00 71.13 C ATOM 86 CD2 LEU A 8 -13.302 9.670 -10.873 1.00 32.44 C ATOM 0 H LEU A 8 -11.885 5.954 -9.525 1.00 22.34 H new ATOM 0 HA LEU A 8 -12.576 8.659 -8.546 1.00 44.10 H new ATOM 0 HB2 LEU A 8 -14.238 6.506 -9.900 1.00 43.35 H new ATOM 0 HB3 LEU A 8 -14.879 8.015 -9.281 1.00 43.35 H new ATOM 0 HG LEU A 8 -12.910 7.689 -11.560 1.00 22.12 H new ATOM 0 HD11 LEU A 8 -14.742 8.622 -12.918 1.00 71.13 H new ATOM 0 HD12 LEU A 8 -15.212 7.096 -12.132 1.00 71.13 H new ATOM 0 HD13 LEU A 8 -15.789 8.647 -11.479 1.00 71.13 H new ATOM 0 HD21 LEU A 8 -13.114 10.129 -11.843 1.00 32.44 H new ATOM 0 HD22 LEU A 8 -14.096 10.215 -10.361 1.00 32.44 H new ATOM 0 HD23 LEU A 8 -12.393 9.705 -10.273 1.00 32.44 H new ATOM 98 N SER A 9 -13.694 7.920 -6.443 1.00 22.44 N ATOM 99 CA SER A 9 -14.156 7.496 -5.127 1.00 51.21 C ATOM 100 C SER A 9 -15.609 7.031 -5.185 1.00 21.33 C ATOM 101 O SER A 9 -16.191 6.912 -6.263 1.00 63.52 O ATOM 102 CB SER A 9 -14.016 8.641 -4.122 1.00 61.32 C ATOM 103 OG SER A 9 -15.183 9.444 -4.097 1.00 21.01 O ATOM 0 H SER A 9 -13.683 8.931 -6.581 1.00 22.44 H new ATOM 0 HA SER A 9 -13.537 6.659 -4.804 1.00 51.21 H new ATOM 0 HB2 SER A 9 -13.829 8.235 -3.128 1.00 61.32 H new ATOM 0 HB3 SER A 9 -13.154 9.255 -4.383 1.00 61.32 H new ATOM 0 HG SER A 9 -15.069 10.167 -3.446 1.00 21.01 H new ATOM 109 N GLY A 10 -16.187 6.770 -4.018 1.00 75.54 N ATOM 110 CA GLY A 10 -17.566 6.321 -3.956 1.00 0.15 C ATOM 111 C GLY A 10 -18.534 7.343 -4.518 1.00 70.25 C ATOM 112 O GLY A 10 -19.369 7.020 -5.362 1.00 70.42 O ATOM 0 H GLY A 10 -15.725 6.861 -3.113 1.00 75.54 H new ATOM 0 HA2 GLY A 10 -17.666 5.387 -4.510 1.00 0.15 H new ATOM 0 HA3 GLY A 10 -17.829 6.107 -2.920 1.00 0.15 H new ATOM 116 N GLY A 11 -18.423 8.582 -4.047 1.00 11.33 N ATOM 117 CA GLY A 11 -19.303 9.635 -4.518 1.00 60.12 C ATOM 118 C GLY A 11 -19.111 9.938 -5.991 1.00 32.23 C ATOM 119 O GLY A 11 -20.071 10.230 -6.701 1.00 11.01 O ATOM 0 H GLY A 11 -17.740 8.874 -3.348 1.00 11.33 H new ATOM 0 HA2 GLY A 11 -20.339 9.344 -4.342 1.00 60.12 H new ATOM 0 HA3 GLY A 11 -19.124 10.540 -3.938 1.00 60.12 H new ATOM 123 N GLU A 12 -17.864 9.869 -6.449 1.00 43.24 N ATOM 124 CA GLU A 12 -17.549 10.139 -7.847 1.00 51.45 C ATOM 125 C GLU A 12 -18.032 9.004 -8.744 1.00 71.40 C ATOM 126 O GLU A 12 -18.528 9.237 -9.847 1.00 3.24 O ATOM 127 CB GLU A 12 -16.042 10.339 -8.024 1.00 71.13 C ATOM 128 CG GLU A 12 -15.421 11.247 -6.976 1.00 71.53 C ATOM 129 CD GLU A 12 -13.983 11.605 -7.293 1.00 22.24 C ATOM 130 OE1 GLU A 12 -13.100 10.744 -7.094 1.00 22.54 O ATOM 131 OE2 GLU A 12 -13.738 12.745 -7.739 1.00 41.13 O1- ATOM 0 H GLU A 12 -17.057 9.629 -5.873 1.00 43.24 H new ATOM 0 HA GLU A 12 -18.066 11.053 -8.139 1.00 51.45 H new ATOM 0 HB2 GLU A 12 -15.549 9.368 -7.989 1.00 71.13 H new ATOM 0 HB3 GLU A 12 -15.853 10.757 -9.013 1.00 71.13 H new ATOM 0 HG2 GLU A 12 -16.010 12.161 -6.897 1.00 71.53 H new ATOM 0 HG3 GLU A 12 -15.463 10.756 -6.004 1.00 71.53 H new ATOM 138 N LEU A 13 -17.882 7.774 -8.263 1.00 42.13 N ATOM 139 CA LEU A 13 -18.303 6.600 -9.022 1.00 74.55 C ATOM 140 C LEU A 13 -19.776 6.697 -9.402 1.00 4.21 C ATOM 141 O LEU A 13 -20.162 6.360 -10.522 1.00 24.20 O ATOM 142 CB LEU A 13 -18.057 5.328 -8.207 1.00 55.21 C ATOM 143 CG LEU A 13 -18.121 4.012 -8.982 1.00 10.02 C ATOM 144 CD1 LEU A 13 -16.907 3.866 -9.886 1.00 30.32 C ATOM 145 CD2 LEU A 13 -18.220 2.834 -8.025 1.00 42.05 C ATOM 0 H LEU A 13 -17.473 7.564 -7.353 1.00 42.13 H new ATOM 0 HA LEU A 13 -17.713 6.558 -9.938 1.00 74.55 H new ATOM 0 HB2 LEU A 13 -17.075 5.404 -7.740 1.00 55.21 H new ATOM 0 HB3 LEU A 13 -18.791 5.289 -7.402 1.00 55.21 H new ATOM 0 HG LEU A 13 -19.014 4.023 -9.606 1.00 10.02 H new ATOM 0 HD11 LEU A 13 -16.970 2.923 -10.430 1.00 30.32 H new ATOM 0 HD12 LEU A 13 -16.880 4.693 -10.595 1.00 30.32 H new ATOM 0 HD13 LEU A 13 -16.000 3.877 -9.282 1.00 30.32 H new ATOM 0 HD21 LEU A 13 -18.265 1.906 -8.594 1.00 42.05 H new ATOM 0 HD22 LEU A 13 -17.345 2.819 -7.375 1.00 42.05 H new ATOM 0 HD23 LEU A 13 -19.121 2.932 -7.419 1.00 42.05 H new ATOM 157 N ASP A 14 -20.595 7.162 -8.465 1.00 44.24 N ATOM 158 CA ASP A 14 -22.027 7.306 -8.704 1.00 70.53 C ATOM 159 C ASP A 14 -22.289 8.205 -9.908 1.00 21.31 C ATOM 160 O ASP A 14 -22.959 7.807 -10.861 1.00 25.41 O ATOM 161 CB ASP A 14 -22.717 7.878 -7.464 1.00 51.24 C ATOM 162 CG ASP A 14 -23.246 6.796 -6.545 1.00 60.52 C ATOM 163 OD1 ASP A 14 -22.873 5.619 -6.738 1.00 60.24 O1- ATOM 164 OD2 ASP A 14 -24.033 7.124 -5.632 1.00 74.40 O ATOM 0 H ASP A 14 -20.292 7.446 -7.533 1.00 44.24 H new ATOM 0 HA ASP A 14 -22.437 6.318 -8.915 1.00 70.53 H new ATOM 0 HB2 ASP A 14 -22.012 8.504 -6.916 1.00 51.24 H new ATOM 0 HB3 ASP A 14 -23.540 8.522 -7.774 1.00 51.24 H new ATOM 169 N LYS A 15 -21.757 9.421 -9.859 1.00 32.40 N ATOM 170 CA LYS A 15 -21.931 10.379 -10.944 1.00 45.24 C ATOM 171 C LYS A 15 -21.300 9.861 -12.232 1.00 14.23 C ATOM 172 O LYS A 15 -21.868 10.007 -13.315 1.00 3.32 O ATOM 173 CB LYS A 15 -21.316 11.727 -10.567 1.00 55.12 C ATOM 174 CG LYS A 15 -22.329 12.739 -10.060 1.00 23.01 C ATOM 175 CD LYS A 15 -22.680 12.494 -8.602 1.00 74.20 C ATOM 176 CE LYS A 15 -23.229 13.749 -7.942 1.00 70.21 C ATOM 177 NZ LYS A 15 -22.172 14.777 -7.738 1.00 13.41 N1+ ATOM 0 H LYS A 15 -21.200 9.767 -9.077 1.00 32.40 H new ATOM 0 HA LYS A 15 -23.000 10.511 -11.111 1.00 45.24 H new ATOM 0 HB2 LYS A 15 -20.558 11.569 -9.800 1.00 55.12 H new ATOM 0 HB3 LYS A 15 -20.807 12.140 -11.438 1.00 55.12 H new ATOM 0 HG2 LYS A 15 -21.927 13.746 -10.174 1.00 23.01 H new ATOM 0 HG3 LYS A 15 -23.233 12.686 -10.667 1.00 23.01 H new ATOM 0 HD2 LYS A 15 -23.417 11.694 -8.534 1.00 74.20 H new ATOM 0 HD3 LYS A 15 -21.793 12.157 -8.065 1.00 74.20 H new ATOM 0 HE2 LYS A 15 -24.025 14.165 -8.559 1.00 70.21 H new ATOM 0 HE3 LYS A 15 -23.673 13.489 -6.981 1.00 70.21 H new ATOM 0 HZ1 LYS A 15 -22.487 15.461 -7.020 1.00 13.41 H new ATOM 0 HZ2 LYS A 15 -21.297 14.316 -7.417 1.00 13.41 H new ATOM 0 HZ3 LYS A 15 -21.993 15.273 -8.634 1.00 13.41 H new ATOM 191 N TRP A 16 -20.124 9.257 -12.108 1.00 51.34 N ATOM 192 CA TRP A 16 -19.416 8.718 -13.263 1.00 23.54 C ATOM 193 C TRP A 16 -20.318 7.789 -14.069 1.00 1.12 C ATOM 194 O TRP A 16 -20.453 7.941 -15.282 1.00 14.15 O ATOM 195 CB TRP A 16 -18.162 7.966 -12.813 1.00 4.14 C ATOM 196 CG TRP A 16 -17.459 7.260 -13.933 1.00 34.43 C ATOM 197 CD1 TRP A 16 -17.561 5.938 -14.260 1.00 34.23 C ATOM 198 CD2 TRP A 16 -16.545 7.839 -14.871 1.00 41.13 C ATOM 199 NE1 TRP A 16 -16.765 5.660 -15.345 1.00 33.50 N ATOM 200 CE2 TRP A 16 -16.132 6.809 -15.739 1.00 33.51 C ATOM 201 CE3 TRP A 16 -16.037 9.126 -15.062 1.00 11.55 C ATOM 202 CZ2 TRP A 16 -15.235 7.030 -16.781 1.00 33.21 C ATOM 203 CZ3 TRP A 16 -15.146 9.343 -16.097 1.00 42.44 C ATOM 204 CH2 TRP A 16 -14.754 8.300 -16.946 1.00 21.23 C ATOM 0 H TRP A 16 -19.641 9.128 -11.219 1.00 51.34 H new ATOM 0 HA TRP A 16 -19.122 9.552 -13.900 1.00 23.54 H new ATOM 0 HB2 TRP A 16 -17.472 8.670 -12.347 1.00 4.14 H new ATOM 0 HB3 TRP A 16 -18.438 7.238 -12.050 1.00 4.14 H new ATOM 0 HD1 TRP A 16 -18.177 5.217 -13.742 1.00 34.23 H new ATOM 0 HE1 TRP A 16 -16.662 4.746 -15.786 1.00 33.50 H new ATOM 0 HE3 TRP A 16 -16.335 9.937 -14.413 1.00 11.55 H new ATOM 0 HZ2 TRP A 16 -14.930 6.227 -17.436 1.00 33.21 H new ATOM 0 HZ3 TRP A 16 -14.745 10.334 -16.253 1.00 42.44 H new ATOM 0 HH2 TRP A 16 -14.058 8.503 -17.747 1.00 21.23 H new ATOM 215 N GLU A 17 -20.933 6.829 -13.387 1.00 63.35 N ATOM 216 CA GLU A 17 -21.822 5.877 -14.041 1.00 42.42 C ATOM 217 C GLU A 17 -23.000 6.593 -14.695 1.00 41.22 C ATOM 218 O GLU A 17 -23.582 6.100 -15.663 1.00 73.01 O ATOM 219 CB GLU A 17 -22.334 4.846 -13.032 1.00 4.13 C ATOM 220 CG GLU A 17 -21.342 3.731 -12.746 1.00 64.12 C ATOM 221 CD GLU A 17 -22.008 2.487 -12.190 1.00 3.44 C ATOM 222 OE1 GLU A 17 -23.062 2.622 -11.534 1.00 74.34 O ATOM 223 OE2 GLU A 17 -21.477 1.379 -12.412 1.00 32.22 O1- ATOM 0 H GLU A 17 -20.832 6.690 -12.382 1.00 63.35 H new ATOM 0 HA GLU A 17 -21.254 5.364 -14.817 1.00 42.42 H new ATOM 0 HB2 GLU A 17 -22.577 5.353 -12.098 1.00 4.13 H new ATOM 0 HB3 GLU A 17 -23.259 4.410 -13.408 1.00 4.13 H new ATOM 0 HG2 GLU A 17 -20.813 3.476 -13.664 1.00 64.12 H new ATOM 0 HG3 GLU A 17 -20.595 4.087 -12.036 1.00 64.12 H new ATOM 230 N LYS A 18 -23.348 7.757 -14.160 1.00 55.25 N ATOM 231 CA LYS A 18 -24.455 8.544 -14.690 1.00 40.43 C ATOM 232 C LYS A 18 -24.065 9.222 -15.999 1.00 61.31 C ATOM 233 O LYS A 18 -24.785 9.133 -16.994 1.00 72.42 O ATOM 234 CB LYS A 18 -24.895 9.597 -13.669 1.00 42.10 C ATOM 235 CG LYS A 18 -26.355 9.480 -13.266 1.00 40.34 C ATOM 236 CD LYS A 18 -26.577 8.329 -12.299 1.00 34.35 C ATOM 237 CE LYS A 18 -28.057 8.032 -12.116 1.00 11.34 C ATOM 238 NZ LYS A 18 -28.590 8.623 -10.858 1.00 33.55 N1+ ATOM 0 H LYS A 18 -22.879 8.178 -13.358 1.00 55.25 H new ATOM 0 HA LYS A 18 -25.286 7.867 -14.886 1.00 40.43 H new ATOM 0 HB2 LYS A 18 -24.273 9.510 -12.778 1.00 42.10 H new ATOM 0 HB3 LYS A 18 -24.720 10.589 -14.084 1.00 42.10 H new ATOM 0 HG2 LYS A 18 -26.682 10.412 -12.805 1.00 40.34 H new ATOM 0 HG3 LYS A 18 -26.968 9.333 -14.155 1.00 40.34 H new ATOM 0 HD2 LYS A 18 -26.069 7.438 -12.669 1.00 34.35 H new ATOM 0 HD3 LYS A 18 -26.132 8.572 -11.334 1.00 34.35 H new ATOM 0 HE2 LYS A 18 -28.614 8.425 -12.966 1.00 11.34 H new ATOM 0 HE3 LYS A 18 -28.212 6.953 -12.105 1.00 11.34 H new ATOM 0 HZ1 LYS A 18 -29.602 8.398 -10.770 1.00 33.55 H new ATOM 0 HZ2 LYS A 18 -28.076 8.229 -10.044 1.00 33.55 H new ATOM 0 HZ3 LYS A 18 -28.465 9.655 -10.879 1.00 33.55 H new ATOM 252 N ILE A 19 -22.921 9.897 -15.991 1.00 31.44 N ATOM 253 CA ILE A 19 -22.433 10.587 -17.179 1.00 52.22 C ATOM 254 C ILE A 19 -22.412 9.656 -18.387 1.00 60.41 C ATOM 255 O ILE A 19 -22.070 8.479 -18.269 1.00 44.44 O ATOM 256 CB ILE A 19 -21.019 11.157 -16.959 1.00 22.42 C ATOM 257 CG1 ILE A 19 -21.011 12.114 -15.766 1.00 0.42 C ATOM 258 CG2 ILE A 19 -20.531 11.862 -18.215 1.00 15.42 C ATOM 259 CD1 ILE A 19 -19.871 11.869 -14.802 1.00 45.33 C ATOM 0 H ILE A 19 -22.314 9.981 -15.175 1.00 31.44 H new ATOM 0 HA ILE A 19 -23.122 11.410 -17.370 1.00 52.22 H new ATOM 0 HB ILE A 19 -20.340 10.332 -16.743 1.00 22.42 H new ATOM 0 HG12 ILE A 19 -20.952 13.139 -16.133 1.00 0.42 H new ATOM 0 HG13 ILE A 19 -21.956 12.021 -15.230 1.00 0.42 H new ATOM 0 HG21 ILE A 19 -19.531 12.259 -18.044 1.00 15.42 H new ATOM 0 HG22 ILE A 19 -20.503 11.153 -19.043 1.00 15.42 H new ATOM 0 HG23 ILE A 19 -21.209 12.679 -18.460 1.00 15.42 H new ATOM 0 HD11 ILE A 19 -19.928 12.584 -13.981 1.00 45.33 H new ATOM 0 HD12 ILE A 19 -19.941 10.856 -14.406 1.00 45.33 H new ATOM 0 HD13 ILE A 19 -18.921 11.990 -15.323 1.00 45.33 H new ATOM 271 N ARG A 20 -22.777 10.191 -19.546 1.00 15.31 N ATOM 272 CA ARG A 20 -22.799 9.408 -20.776 1.00 60.35 C ATOM 273 C ARG A 20 -21.619 9.769 -21.672 1.00 52.13 C ATOM 274 O ARG A 20 -21.048 10.854 -21.557 1.00 14.54 O ATOM 275 CB ARG A 20 -24.112 9.637 -21.528 1.00 64.35 C ATOM 276 CG ARG A 20 -25.350 9.375 -20.684 1.00 15.31 C ATOM 277 CD ARG A 20 -26.624 9.581 -21.488 1.00 41.44 C ATOM 278 NE ARG A 20 -27.471 10.625 -20.914 1.00 22.44 N ATOM 279 CZ ARG A 20 -28.123 10.493 -19.765 1.00 63.23 C ATOM 280 NH1 ARG A 20 -28.028 9.367 -19.069 1.00 13.23 N1+ ATOM 281 NH2 ARG A 20 -28.874 11.488 -19.309 1.00 33.54 N ATOM 0 H ARG A 20 -23.062 11.164 -19.660 1.00 15.31 H new ATOM 0 HA ARG A 20 -22.720 8.355 -20.507 1.00 60.35 H new ATOM 0 HB2 ARG A 20 -24.140 10.665 -21.889 1.00 64.35 H new ATOM 0 HB3 ARG A 20 -24.137 8.990 -22.405 1.00 64.35 H new ATOM 0 HG2 ARG A 20 -25.321 8.355 -20.300 1.00 15.31 H new ATOM 0 HG3 ARG A 20 -25.351 10.041 -19.821 1.00 15.31 H new ATOM 0 HD2 ARG A 20 -26.367 9.846 -22.513 1.00 41.44 H new ATOM 0 HD3 ARG A 20 -27.181 8.645 -21.531 1.00 41.44 H new ATOM 0 HE ARG A 20 -27.566 11.503 -21.424 1.00 22.44 H new ATOM 0 HH11 ARG A 20 -27.453 8.600 -19.416 1.00 13.23 H new ATOM 0 HH12 ARG A 20 -28.530 9.269 -18.187 1.00 13.23 H new ATOM 0 HH21 ARG A 20 -28.950 12.355 -19.841 1.00 33.54 H new ATOM 0 HH22 ARG A 20 -29.375 11.386 -18.426 1.00 33.54 H new ATOM 295 N LEU A 21 -21.257 8.854 -22.564 1.00 42.52 N ATOM 296 CA LEU A 21 -20.144 9.075 -23.480 1.00 1.23 C ATOM 297 C LEU A 21 -20.534 10.052 -24.584 1.00 3.21 C ATOM 298 O LEU A 21 -19.709 10.839 -25.050 1.00 42.23 O ATOM 299 CB LEU A 21 -19.691 7.748 -24.094 1.00 41.53 C ATOM 300 CG LEU A 21 -19.432 6.608 -23.109 1.00 22.24 C ATOM 301 CD1 LEU A 21 -19.988 5.300 -23.649 1.00 61.00 C ATOM 302 CD2 LEU A 21 -17.943 6.479 -22.824 1.00 62.42 C ATOM 0 H LEU A 21 -21.719 7.951 -22.672 1.00 42.52 H new ATOM 0 HA LEU A 21 -19.319 9.506 -22.913 1.00 1.23 H new ATOM 0 HB2 LEU A 21 -20.450 7.422 -24.805 1.00 41.53 H new ATOM 0 HB3 LEU A 21 -18.778 7.926 -24.661 1.00 41.53 H new ATOM 0 HG LEU A 21 -19.943 6.838 -22.174 1.00 22.24 H new ATOM 0 HD11 LEU A 21 -19.794 4.500 -22.935 1.00 61.00 H new ATOM 0 HD12 LEU A 21 -21.063 5.397 -23.802 1.00 61.00 H new ATOM 0 HD13 LEU A 21 -19.506 5.064 -24.598 1.00 61.00 H new ATOM 0 HD21 LEU A 21 -17.776 5.663 -22.121 1.00 62.42 H new ATOM 0 HD22 LEU A 21 -17.411 6.272 -23.753 1.00 62.42 H new ATOM 0 HD23 LEU A 21 -17.573 7.410 -22.394 1.00 62.42 H new ATOM 314 N ARG A 22 -21.796 9.998 -24.998 1.00 23.20 N ATOM 315 CA ARG A 22 -22.295 10.880 -26.046 1.00 4.34 C ATOM 316 C ARG A 22 -23.551 11.614 -25.587 1.00 31.14 C ATOM 317 O ARG A 22 -24.237 11.198 -24.652 1.00 32.14 O ATOM 318 CB ARG A 22 -22.595 10.079 -27.315 1.00 43.31 C ATOM 319 CG ARG A 22 -21.506 10.178 -28.370 1.00 34.15 C ATOM 320 CD ARG A 22 -21.956 9.580 -29.694 1.00 32.32 C ATOM 321 NE ARG A 22 -21.988 8.120 -29.651 1.00 13.32 N ATOM 322 CZ ARG A 22 -22.557 7.371 -30.589 1.00 41.15 C ATOM 323 NH1 ARG A 22 -23.138 7.941 -31.635 1.00 12.24 N1+ ATOM 324 NH2 ARG A 22 -22.548 6.049 -30.480 1.00 31.45 N ATOM 0 H ARG A 22 -22.491 9.353 -24.623 1.00 23.20 H new ATOM 0 HA ARG A 22 -21.523 11.618 -26.263 1.00 4.34 H new ATOM 0 HB2 ARG A 22 -22.736 9.032 -27.048 1.00 43.31 H new ATOM 0 HB3 ARG A 22 -23.535 10.429 -27.742 1.00 43.31 H new ATOM 0 HG2 ARG A 22 -21.233 11.223 -28.516 1.00 34.15 H new ATOM 0 HG3 ARG A 22 -20.612 9.661 -28.021 1.00 34.15 H new ATOM 0 HD2 ARG A 22 -22.948 9.957 -29.944 1.00 32.32 H new ATOM 0 HD3 ARG A 22 -21.282 9.905 -30.487 1.00 32.32 H new ATOM 0 HE ARG A 22 -21.550 7.651 -28.858 1.00 13.32 H new ATOM 0 HH11 ARG A 22 -23.149 8.957 -31.721 1.00 12.24 H new ATOM 0 HH12 ARG A 22 -23.574 7.363 -32.354 1.00 12.24 H new ATOM 0 HH21 ARG A 22 -22.104 5.607 -29.675 1.00 31.45 H new ATOM 0 HH22 ARG A 22 -22.985 5.475 -31.201 1.00 31.45 H new ATOM 338 N PRO A 23 -23.861 12.734 -26.257 1.00 33.25 N ATOM 339 CA PRO A 23 -25.035 13.550 -25.936 1.00 72.52 C ATOM 340 C PRO A 23 -26.342 12.854 -26.300 1.00 53.04 C ATOM 341 O PRO A 23 -27.356 13.024 -25.624 1.00 22.52 O ATOM 342 CB PRO A 23 -24.841 14.804 -26.792 1.00 70.51 C ATOM 343 CG PRO A 23 -23.993 14.356 -27.932 1.00 34.23 C ATOM 344 CD PRO A 23 -23.088 13.288 -27.382 1.00 51.32 C ATOM 0 HA PRO A 23 -25.109 13.754 -24.868 1.00 72.52 H new ATOM 0 HB2 PRO A 23 -25.796 15.198 -27.140 1.00 70.51 H new ATOM 0 HB3 PRO A 23 -24.356 15.599 -26.226 1.00 70.51 H new ATOM 0 HG2 PRO A 23 -24.606 13.967 -28.745 1.00 34.23 H new ATOM 0 HG3 PRO A 23 -23.415 15.186 -28.338 1.00 34.23 H new ATOM 0 HD2 PRO A 23 -22.864 12.527 -28.129 1.00 51.32 H new ATOM 0 HD3 PRO A 23 -22.135 13.700 -27.051 1.00 51.32 H new ATOM 352 N GLY A 24 -26.311 12.068 -27.371 1.00 11.44 N ATOM 353 CA GLY A 24 -27.499 11.358 -27.806 1.00 73.12 C ATOM 354 C GLY A 24 -27.242 9.881 -28.032 1.00 72.05 C ATOM 355 O GLY A 24 -27.490 9.359 -29.118 1.00 52.13 O ATOM 0 H GLY A 24 -25.483 11.910 -27.946 1.00 11.44 H new ATOM 0 HA2 GLY A 24 -28.284 11.477 -27.059 1.00 73.12 H new ATOM 0 HA3 GLY A 24 -27.868 11.805 -28.729 1.00 73.12 H new ATOM 359 N GLY A 25 -26.741 9.205 -27.002 1.00 64.31 N ATOM 360 CA GLY A 25 -26.457 7.786 -27.115 1.00 74.11 C ATOM 361 C GLY A 25 -27.370 6.942 -26.249 1.00 65.25 C ATOM 362 O GLY A 25 -28.356 7.438 -25.703 1.00 72.34 O ATOM 0 H GLY A 25 -26.527 9.614 -26.093 1.00 64.31 H new ATOM 0 HA2 GLY A 25 -26.562 7.479 -28.156 1.00 74.11 H new ATOM 0 HA3 GLY A 25 -25.421 7.602 -26.832 1.00 74.11 H new ATOM 366 N LYS A 26 -27.045 5.659 -26.122 1.00 15.14 N ATOM 367 CA LYS A 26 -27.842 4.743 -25.318 1.00 22.51 C ATOM 368 C LYS A 26 -26.959 3.952 -24.357 1.00 32.31 C ATOM 369 O LYS A 26 -27.277 2.820 -23.993 1.00 11.23 O ATOM 370 CB LYS A 26 -28.618 3.781 -26.221 1.00 40.34 C ATOM 371 CG LYS A 26 -29.787 4.432 -26.941 1.00 72.53 C ATOM 372 CD LYS A 26 -31.075 4.301 -26.145 1.00 73.44 C ATOM 373 CE LYS A 26 -31.823 3.027 -26.502 1.00 43.50 C ATOM 374 NZ LYS A 26 -33.185 2.995 -25.898 1.00 3.34 N1+ ATOM 0 H LYS A 26 -26.233 5.231 -26.567 1.00 15.14 H new ATOM 0 HA LYS A 26 -28.548 5.333 -24.734 1.00 22.51 H new ATOM 0 HB2 LYS A 26 -27.936 3.360 -26.960 1.00 40.34 H new ATOM 0 HB3 LYS A 26 -28.989 2.951 -25.620 1.00 40.34 H new ATOM 0 HG2 LYS A 26 -29.569 5.486 -27.111 1.00 72.53 H new ATOM 0 HG3 LYS A 26 -29.915 3.971 -27.920 1.00 72.53 H new ATOM 0 HD2 LYS A 26 -30.847 4.304 -25.079 1.00 73.44 H new ATOM 0 HD3 LYS A 26 -31.712 5.164 -26.337 1.00 73.44 H new ATOM 0 HE2 LYS A 26 -31.904 2.945 -27.586 1.00 43.50 H new ATOM 0 HE3 LYS A 26 -31.253 2.163 -26.159 1.00 43.50 H new ATOM 0 HZ1 LYS A 26 -33.662 2.110 -26.165 1.00 3.34 H new ATOM 0 HZ2 LYS A 26 -33.107 3.047 -24.862 1.00 3.34 H new ATOM 0 HZ3 LYS A 26 -33.738 3.805 -26.245 1.00 3.34 H new ATOM 388 N LYS A 27 -25.849 4.558 -23.947 1.00 53.15 N ATOM 389 CA LYS A 27 -24.921 3.913 -23.026 1.00 52.05 C ATOM 390 C LYS A 27 -24.224 4.946 -22.145 1.00 63.33 C ATOM 391 O LYS A 27 -23.772 5.983 -22.629 1.00 45.42 O ATOM 392 CB LYS A 27 -23.881 3.103 -23.802 1.00 33.42 C ATOM 393 CG LYS A 27 -23.921 1.615 -23.501 1.00 22.00 C ATOM 394 CD LYS A 27 -23.586 0.788 -24.732 1.00 75.14 C ATOM 395 CE LYS A 27 -24.808 0.584 -25.615 1.00 24.23 C ATOM 396 NZ LYS A 27 -25.082 -0.861 -25.856 1.00 53.52 N1+ ATOM 0 H LYS A 27 -25.571 5.495 -24.238 1.00 53.15 H new ATOM 0 HA LYS A 27 -25.491 3.240 -22.385 1.00 52.05 H new ATOM 0 HB2 LYS A 27 -24.039 3.253 -24.870 1.00 33.42 H new ATOM 0 HB3 LYS A 27 -22.887 3.486 -23.569 1.00 33.42 H new ATOM 0 HG2 LYS A 27 -23.214 1.385 -22.704 1.00 22.00 H new ATOM 0 HG3 LYS A 27 -24.912 1.343 -23.137 1.00 22.00 H new ATOM 0 HD2 LYS A 27 -22.802 1.285 -25.303 1.00 75.14 H new ATOM 0 HD3 LYS A 27 -23.192 -0.181 -24.425 1.00 75.14 H new ATOM 0 HE2 LYS A 27 -25.677 1.045 -25.145 1.00 24.23 H new ATOM 0 HE3 LYS A 27 -24.656 1.089 -26.569 1.00 24.23 H new ATOM 0 HZ1 LYS A 27 -25.922 -0.959 -26.462 1.00 53.52 H new ATOM 0 HZ2 LYS A 27 -24.263 -1.296 -26.327 1.00 53.52 H new ATOM 0 HZ3 LYS A 27 -25.253 -1.338 -24.948 1.00 53.52 H new ATOM 410 N GLN A 28 -24.138 4.652 -20.852 1.00 21.54 N ATOM 411 CA GLN A 28 -23.494 5.555 -19.905 1.00 30.04 C ATOM 412 C GLN A 28 -22.024 5.194 -19.723 1.00 35.54 C ATOM 413 O GLN A 28 -21.495 4.329 -20.421 1.00 23.23 O ATOM 414 CB GLN A 28 -24.214 5.510 -18.555 1.00 14.23 C ATOM 415 CG GLN A 28 -25.728 5.570 -18.671 1.00 32.32 C ATOM 416 CD GLN A 28 -26.381 4.213 -18.491 1.00 32.10 C ATOM 417 OE1 GLN A 28 -26.461 3.421 -19.430 1.00 20.31 O ATOM 418 NE2 GLN A 28 -26.851 3.938 -17.280 1.00 32.12 N ATOM 0 H GLN A 28 -24.506 3.796 -20.436 1.00 21.54 H new ATOM 0 HA GLN A 28 -23.554 6.566 -20.307 1.00 30.04 H new ATOM 0 HB2 GLN A 28 -23.934 4.595 -18.034 1.00 14.23 H new ATOM 0 HB3 GLN A 28 -23.872 6.344 -17.942 1.00 14.23 H new ATOM 0 HG2 GLN A 28 -26.119 6.259 -17.923 1.00 32.32 H new ATOM 0 HG3 GLN A 28 -25.998 5.973 -19.647 1.00 32.32 H new ATOM 0 HE21 GLN A 28 -26.763 4.625 -16.531 1.00 32.12 H new ATOM 0 HE22 GLN A 28 -27.300 3.040 -17.099 1.00 32.12 H new ATOM 427 N TYR A 29 -21.368 5.864 -18.782 1.00 64.23 N ATOM 428 CA TYR A 29 -19.957 5.616 -18.510 1.00 74.15 C ATOM 429 C TYR A 29 -19.786 4.452 -17.539 1.00 2.03 C ATOM 430 O TYR A 29 -20.644 4.201 -16.693 1.00 62.52 O ATOM 431 CB TYR A 29 -19.298 6.873 -17.937 1.00 2.50 C ATOM 432 CG TYR A 29 -18.544 7.683 -18.966 1.00 20.44 C ATOM 433 CD1 TYR A 29 -17.285 7.288 -19.403 1.00 12.00 C ATOM 434 CD2 TYR A 29 -19.089 8.844 -19.502 1.00 24.44 C ATOM 435 CE1 TYR A 29 -16.591 8.026 -20.342 1.00 11.35 C ATOM 436 CE2 TYR A 29 -18.403 9.587 -20.443 1.00 32.42 C ATOM 437 CZ TYR A 29 -17.154 9.174 -20.860 1.00 41.15 C ATOM 438 OH TYR A 29 -16.467 9.912 -21.796 1.00 42.31 O ATOM 0 H TYR A 29 -21.791 6.583 -18.195 1.00 64.23 H new ATOM 0 HA TYR A 29 -19.472 5.355 -19.451 1.00 74.15 H new ATOM 0 HB2 TYR A 29 -20.065 7.501 -17.484 1.00 2.50 H new ATOM 0 HB3 TYR A 29 -18.612 6.583 -17.141 1.00 2.50 H new ATOM 0 HD1 TYR A 29 -16.842 6.389 -19.001 1.00 12.00 H new ATOM 0 HD2 TYR A 29 -20.066 9.171 -19.177 1.00 24.44 H new ATOM 0 HE1 TYR A 29 -15.613 7.706 -20.669 1.00 11.35 H new ATOM 0 HE2 TYR A 29 -18.842 10.486 -20.850 1.00 32.42 H new ATOM 0 HH TYR A 29 -17.079 10.545 -22.227 1.00 42.31 H new ATOM 448 N LYS A 30 -18.670 3.742 -17.668 1.00 23.25 N ATOM 449 CA LYS A 30 -18.382 2.604 -16.803 1.00 72.41 C ATOM 450 C LYS A 30 -16.879 2.448 -16.591 1.00 53.33 C ATOM 451 O LYS A 30 -16.076 3.087 -17.273 1.00 22.01 O ATOM 452 CB LYS A 30 -18.958 1.320 -17.406 1.00 55.11 C ATOM 453 CG LYS A 30 -19.646 0.427 -16.388 1.00 32.34 C ATOM 454 CD LYS A 30 -20.697 -0.455 -17.041 1.00 22.12 C ATOM 455 CE LYS A 30 -20.766 -1.823 -16.380 1.00 55.31 C ATOM 456 NZ LYS A 30 -21.756 -2.712 -17.048 1.00 41.41 N1+ ATOM 0 H LYS A 30 -17.950 3.935 -18.364 1.00 23.25 H new ATOM 0 HA LYS A 30 -18.851 2.787 -15.836 1.00 72.41 H new ATOM 0 HB2 LYS A 30 -19.671 1.583 -18.187 1.00 55.11 H new ATOM 0 HB3 LYS A 30 -18.154 0.760 -17.884 1.00 55.11 H new ATOM 0 HG2 LYS A 30 -18.904 -0.197 -15.890 1.00 32.34 H new ATOM 0 HG3 LYS A 30 -20.113 1.043 -15.619 1.00 32.34 H new ATOM 0 HD2 LYS A 30 -21.671 0.030 -16.978 1.00 22.12 H new ATOM 0 HD3 LYS A 30 -20.468 -0.573 -18.100 1.00 22.12 H new ATOM 0 HE2 LYS A 30 -19.782 -2.290 -16.408 1.00 55.31 H new ATOM 0 HE3 LYS A 30 -21.033 -1.706 -15.330 1.00 55.31 H new ATOM 0 HZ1 LYS A 30 -21.773 -3.635 -16.568 1.00 41.41 H new ATOM 0 HZ2 LYS A 30 -22.700 -2.279 -16.999 1.00 41.41 H new ATOM 0 HZ3 LYS A 30 -21.487 -2.845 -18.044 1.00 41.41 H new ATOM 470 N LEU A 31 -16.505 1.598 -15.642 1.00 24.21 N ATOM 471 CA LEU A 31 -15.099 1.357 -15.341 1.00 34.12 C ATOM 472 C LEU A 31 -14.332 0.961 -16.598 1.00 3.50 C ATOM 473 O LEU A 31 -13.129 1.203 -16.709 1.00 44.03 O ATOM 474 CB LEU A 31 -14.964 0.262 -14.281 1.00 30.25 C ATOM 475 CG LEU A 31 -14.086 0.600 -13.075 1.00 43.21 C ATOM 476 CD1 LEU A 31 -14.690 1.748 -12.281 1.00 10.21 C ATOM 477 CD2 LEU A 31 -13.903 -0.625 -12.190 1.00 73.31 C ATOM 0 H LEU A 31 -17.157 1.064 -15.067 1.00 24.21 H new ATOM 0 HA LEU A 31 -14.673 2.283 -14.955 1.00 34.12 H new ATOM 0 HB2 LEU A 31 -15.961 0.009 -13.920 1.00 30.25 H new ATOM 0 HB3 LEU A 31 -14.562 -0.631 -14.759 1.00 30.25 H new ATOM 0 HG LEU A 31 -13.106 0.912 -13.438 1.00 43.21 H new ATOM 0 HD11 LEU A 31 -14.052 1.975 -11.427 1.00 10.21 H new ATOM 0 HD12 LEU A 31 -14.770 2.629 -12.918 1.00 10.21 H new ATOM 0 HD13 LEU A 31 -15.682 1.464 -11.928 1.00 10.21 H new ATOM 0 HD21 LEU A 31 -13.276 -0.367 -11.337 1.00 73.31 H new ATOM 0 HD22 LEU A 31 -14.876 -0.966 -11.835 1.00 73.31 H new ATOM 0 HD23 LEU A 31 -13.426 -1.420 -12.763 1.00 73.31 H new ATOM 489 N LYS A 32 -15.037 0.353 -17.547 1.00 71.30 N ATOM 490 CA LYS A 32 -14.425 -0.074 -18.799 1.00 3.43 C ATOM 491 C LYS A 32 -13.665 1.075 -19.454 1.00 41.25 C ATOM 492 O LYS A 32 -12.651 0.863 -20.119 1.00 21.12 O ATOM 493 CB LYS A 32 -15.494 -0.605 -19.758 1.00 13.33 C ATOM 494 CG LYS A 32 -14.936 -1.072 -21.092 1.00 43.53 C ATOM 495 CD LYS A 32 -15.651 -2.317 -21.589 1.00 41.03 C ATOM 496 CE LYS A 32 -17.038 -1.991 -22.118 1.00 53.45 C ATOM 497 NZ LYS A 32 -17.473 -2.952 -23.169 1.00 71.41 N1+ ATOM 0 H LYS A 32 -16.033 0.145 -17.472 1.00 71.30 H new ATOM 0 HA LYS A 32 -13.718 -0.872 -18.574 1.00 3.43 H new ATOM 0 HB2 LYS A 32 -16.017 -1.434 -19.282 1.00 13.33 H new ATOM 0 HB3 LYS A 32 -16.232 0.178 -19.936 1.00 13.33 H new ATOM 0 HG2 LYS A 32 -15.036 -0.275 -21.829 1.00 43.53 H new ATOM 0 HG3 LYS A 32 -13.871 -1.279 -20.990 1.00 43.53 H new ATOM 0 HD2 LYS A 32 -15.061 -2.786 -22.377 1.00 41.03 H new ATOM 0 HD3 LYS A 32 -15.731 -3.040 -20.777 1.00 41.03 H new ATOM 0 HE2 LYS A 32 -17.753 -2.005 -21.295 1.00 53.45 H new ATOM 0 HE3 LYS A 32 -17.042 -0.980 -22.526 1.00 53.45 H new ATOM 0 HZ1 LYS A 32 -18.424 -2.694 -23.503 1.00 71.41 H new ATOM 0 HZ2 LYS A 32 -16.806 -2.920 -23.966 1.00 71.41 H new ATOM 0 HZ3 LYS A 32 -17.494 -3.913 -22.773 1.00 71.41 H new ATOM 511 N HIS A 33 -14.162 2.293 -19.260 1.00 25.12 N ATOM 512 CA HIS A 33 -13.528 3.477 -19.830 1.00 54.12 C ATOM 513 C HIS A 33 -12.387 3.963 -18.940 1.00 11.45 C ATOM 514 O HIS A 33 -11.419 4.483 -19.496 1.00 0.35 O ATOM 515 CB HIS A 33 -14.557 4.594 -20.014 1.00 30.52 C ATOM 516 CG HIS A 33 -15.808 4.147 -20.706 1.00 4.12 C ATOM 517 ND1 HIS A 33 -17.046 4.148 -20.099 1.00 21.42 N ATOM 518 CD2 HIS A 33 -16.008 3.683 -21.962 1.00 73.32 C ATOM 519 CE1 HIS A 33 -17.952 3.704 -20.951 1.00 44.23 C ATOM 520 NE2 HIS A 33 -17.348 3.416 -22.090 1.00 60.20 N ATOM 0 H HIS A 33 -15.001 2.486 -18.713 1.00 25.12 H new ATOM 0 HA HIS A 33 -13.118 3.207 -20.803 1.00 54.12 H new ATOM 0 HB2 HIS A 33 -14.818 5.001 -19.037 1.00 30.52 H new ATOM 0 HB3 HIS A 33 -14.104 5.403 -20.587 1.00 30.52 H new ATOM 0 HD2 HIS A 33 -15.253 3.548 -22.722 1.00 73.32 H new ATOM 0 HE1 HIS A 33 -19.008 3.595 -20.751 1.00 44.23 H new ATOM 0 HE2 HIS A 33 -17.803 3.054 -22.928 1.00 60.20 H new ATOM 528 N ILE A 34 -12.472 3.815 -17.623 1.00 25.45 N ATOM 529 CA ILE A 34 -11.407 4.261 -16.735 1.00 75.12 C ATOM 530 C ILE A 34 -10.176 3.370 -16.858 1.00 4.45 C ATOM 531 O ILE A 34 -9.042 3.848 -16.810 1.00 2.24 O ATOM 532 CB ILE A 34 -11.869 4.277 -15.265 1.00 34.33 C ATOM 533 CG1 ILE A 34 -13.138 5.117 -15.116 1.00 42.24 C ATOM 534 CG2 ILE A 34 -10.763 4.815 -14.368 1.00 11.50 C ATOM 535 CD1 ILE A 34 -13.748 5.051 -13.734 1.00 50.14 C ATOM 0 H ILE A 34 -13.268 3.390 -17.147 1.00 25.45 H new ATOM 0 HA ILE A 34 -11.149 5.276 -17.039 1.00 75.12 H new ATOM 0 HB ILE A 34 -12.094 3.255 -14.959 1.00 34.33 H new ATOM 0 HG12 ILE A 34 -12.906 6.155 -15.353 1.00 42.24 H new ATOM 0 HG13 ILE A 34 -13.874 4.780 -15.846 1.00 42.24 H new ATOM 0 HG21 ILE A 34 -11.104 4.820 -13.333 1.00 11.50 H new ATOM 0 HG22 ILE A 34 -9.882 4.180 -14.456 1.00 11.50 H new ATOM 0 HG23 ILE A 34 -10.510 5.831 -14.672 1.00 11.50 H new ATOM 0 HD11 ILE A 34 -14.644 5.671 -13.702 1.00 50.14 H new ATOM 0 HD12 ILE A 34 -14.012 4.019 -13.502 1.00 50.14 H new ATOM 0 HD13 ILE A 34 -13.028 5.416 -13.001 1.00 50.14 H new ATOM 547 N VAL A 35 -10.407 2.071 -17.021 1.00 21.13 N ATOM 548 CA VAL A 35 -9.317 1.112 -17.156 1.00 21.43 C ATOM 549 C VAL A 35 -8.634 1.242 -18.513 1.00 71.11 C ATOM 550 O VAL A 35 -7.407 1.194 -18.609 1.00 43.43 O ATOM 551 CB VAL A 35 -9.818 -0.334 -16.983 1.00 23.41 C ATOM 552 CG1 VAL A 35 -8.673 -1.321 -17.156 1.00 54.00 C ATOM 553 CG2 VAL A 35 -10.481 -0.509 -15.625 1.00 2.23 C ATOM 0 H VAL A 35 -11.339 1.659 -17.063 1.00 21.13 H new ATOM 0 HA VAL A 35 -8.598 1.337 -16.368 1.00 21.43 H new ATOM 0 HB VAL A 35 -10.561 -0.537 -17.754 1.00 23.41 H new ATOM 0 HG11 VAL A 35 -9.047 -2.337 -17.030 1.00 54.00 H new ATOM 0 HG12 VAL A 35 -8.246 -1.212 -18.153 1.00 54.00 H new ATOM 0 HG13 VAL A 35 -7.905 -1.122 -16.409 1.00 54.00 H new ATOM 0 HG21 VAL A 35 -10.829 -1.537 -15.520 1.00 2.23 H new ATOM 0 HG22 VAL A 35 -9.761 -0.287 -14.837 1.00 2.23 H new ATOM 0 HG23 VAL A 35 -11.329 0.171 -15.544 1.00 2.23 H new ATOM 563 N TRP A 36 -9.436 1.409 -19.558 1.00 43.42 N ATOM 564 CA TRP A 36 -8.909 1.547 -20.911 1.00 52.41 C ATOM 565 C TRP A 36 -7.936 2.719 -20.999 1.00 30.31 C ATOM 566 O TRP A 36 -6.789 2.554 -21.414 1.00 12.32 O ATOM 567 CB TRP A 36 -10.052 1.743 -21.909 1.00 25.41 C ATOM 568 CG TRP A 36 -9.582 1.976 -23.313 1.00 24.31 C ATOM 569 CD1 TRP A 36 -9.220 1.026 -24.224 1.00 11.30 C ATOM 570 CD2 TRP A 36 -9.422 3.241 -23.963 1.00 30.42 C ATOM 571 NE1 TRP A 36 -8.844 1.624 -25.403 1.00 61.11 N ATOM 572 CE2 TRP A 36 -8.961 2.983 -25.269 1.00 33.33 C ATOM 573 CE3 TRP A 36 -9.626 4.567 -23.571 1.00 22.44 C ATOM 574 CZ2 TRP A 36 -8.698 4.002 -26.181 1.00 45.43 C ATOM 575 CZ3 TRP A 36 -9.365 5.577 -24.477 1.00 1.21 C ATOM 576 CH2 TRP A 36 -8.906 5.290 -25.770 1.00 42.21 C ATOM 0 H TRP A 36 -10.453 1.452 -19.495 1.00 43.42 H new ATOM 0 HA TRP A 36 -8.372 0.632 -21.160 1.00 52.41 H new ATOM 0 HB2 TRP A 36 -10.696 0.864 -21.890 1.00 25.41 H new ATOM 0 HB3 TRP A 36 -10.660 2.590 -21.592 1.00 25.41 H new ATOM 0 HD1 TRP A 36 -9.228 -0.039 -24.045 1.00 11.30 H new ATOM 0 HE1 TRP A 36 -8.529 1.136 -26.241 1.00 61.11 H new ATOM 0 HE3 TRP A 36 -9.981 4.798 -22.578 1.00 22.44 H new ATOM 0 HZ2 TRP A 36 -8.343 3.783 -27.177 1.00 45.43 H new ATOM 0 HZ3 TRP A 36 -9.517 6.605 -24.184 1.00 1.21 H new ATOM 0 HH2 TRP A 36 -8.713 6.102 -26.455 1.00 42.21 H new ATOM 587 N ALA A 37 -8.401 3.900 -20.606 1.00 65.23 N ATOM 588 CA ALA A 37 -7.571 5.097 -20.638 1.00 74.11 C ATOM 589 C ALA A 37 -6.245 4.866 -19.921 1.00 42.15 C ATOM 590 O ALA A 37 -5.184 5.239 -20.421 1.00 72.01 O ATOM 591 CB ALA A 37 -8.312 6.271 -20.016 1.00 25.41 C ATOM 0 H ALA A 37 -9.349 4.053 -20.262 1.00 65.23 H new ATOM 0 HA ALA A 37 -7.354 5.330 -21.681 1.00 74.11 H new ATOM 0 HB1 ALA A 37 -7.679 7.158 -20.047 1.00 25.41 H new ATOM 0 HB2 ALA A 37 -9.229 6.459 -20.574 1.00 25.41 H new ATOM 0 HB3 ALA A 37 -8.559 6.038 -18.980 1.00 25.41 H new ATOM 597 N SER A 38 -6.314 4.248 -18.745 1.00 70.11 N ATOM 598 CA SER A 38 -5.119 3.972 -17.957 1.00 63.41 C ATOM 599 C SER A 38 -4.070 3.248 -18.795 1.00 13.32 C ATOM 600 O SER A 38 -2.907 3.652 -18.837 1.00 1.41 O ATOM 601 CB SER A 38 -5.476 3.129 -16.730 1.00 3.24 C ATOM 602 OG SER A 38 -5.850 3.951 -15.638 1.00 35.42 O ATOM 0 H SER A 38 -7.184 3.930 -18.318 1.00 70.11 H new ATOM 0 HA SER A 38 -4.703 4.924 -17.628 1.00 63.41 H new ATOM 0 HB2 SER A 38 -6.294 2.451 -16.976 1.00 3.24 H new ATOM 0 HB3 SER A 38 -4.623 2.511 -16.449 1.00 3.24 H new ATOM 0 HG SER A 38 -6.075 3.389 -14.867 1.00 35.42 H new ATOM 608 N ARG A 39 -4.489 2.179 -19.464 1.00 60.55 N ATOM 609 CA ARG A 39 -3.586 1.398 -20.300 1.00 51.43 C ATOM 610 C ARG A 39 -3.000 2.258 -21.417 1.00 71.45 C ATOM 611 O ARG A 39 -1.824 2.134 -21.756 1.00 74.33 O ATOM 612 CB ARG A 39 -4.321 0.198 -20.900 1.00 53.14 C ATOM 613 CG ARG A 39 -4.262 -1.048 -20.030 1.00 12.35 C ATOM 614 CD ARG A 39 -4.748 -2.276 -20.784 1.00 53.21 C ATOM 615 NE ARG A 39 -3.789 -3.375 -20.717 1.00 21.52 N ATOM 616 CZ ARG A 39 -4.022 -4.586 -21.211 1.00 14.33 C ATOM 617 NH1 ARG A 39 -5.176 -4.851 -21.808 1.00 12.44 N1+ ATOM 618 NH2 ARG A 39 -3.100 -5.534 -21.112 1.00 72.53 N ATOM 0 H ARG A 39 -5.449 1.834 -19.443 1.00 60.55 H new ATOM 0 HA ARG A 39 -2.770 1.039 -19.673 1.00 51.43 H new ATOM 0 HB2 ARG A 39 -5.364 0.467 -21.065 1.00 53.14 H new ATOM 0 HB3 ARG A 39 -3.892 -0.030 -21.876 1.00 53.14 H new ATOM 0 HG2 ARG A 39 -3.238 -1.209 -19.691 1.00 12.35 H new ATOM 0 HG3 ARG A 39 -4.873 -0.901 -19.139 1.00 12.35 H new ATOM 0 HD2 ARG A 39 -5.702 -2.602 -20.369 1.00 53.21 H new ATOM 0 HD3 ARG A 39 -4.926 -2.014 -21.827 1.00 53.21 H new ATOM 0 HE ARG A 39 -2.890 -3.203 -20.266 1.00 21.52 H new ATOM 0 HH11 ARG A 39 -5.887 -4.124 -21.889 1.00 12.44 H new ATOM 0 HH12 ARG A 39 -5.353 -5.782 -22.187 1.00 12.44 H new ATOM 0 HH21 ARG A 39 -2.210 -5.334 -20.656 1.00 72.53 H new ATOM 0 HH22 ARG A 39 -3.281 -6.463 -21.492 1.00 72.53 H new ATOM 632 N GLU A 40 -3.830 3.129 -21.984 1.00 63.13 N ATOM 633 CA GLU A 40 -3.394 4.008 -23.063 1.00 62.31 C ATOM 634 C GLU A 40 -2.441 5.079 -22.539 1.00 23.23 C ATOM 635 O GLU A 40 -1.607 5.600 -23.282 1.00 71.53 O ATOM 636 CB GLU A 40 -4.600 4.666 -23.733 1.00 40.42 C ATOM 637 CG GLU A 40 -4.583 4.570 -25.249 1.00 13.21 C ATOM 638 CD GLU A 40 -3.637 5.570 -25.886 1.00 72.11 C ATOM 639 OE1 GLU A 40 -2.408 5.395 -25.747 1.00 72.31 O ATOM 640 OE2 GLU A 40 -4.125 6.527 -26.522 1.00 32.32 O1- ATOM 0 H GLU A 40 -4.807 3.244 -21.714 1.00 63.13 H new ATOM 0 HA GLU A 40 -2.865 3.403 -23.799 1.00 62.31 H new ATOM 0 HB2 GLU A 40 -5.512 4.201 -23.358 1.00 40.42 H new ATOM 0 HB3 GLU A 40 -4.637 5.716 -23.445 1.00 40.42 H new ATOM 0 HG2 GLU A 40 -4.291 3.562 -25.542 1.00 13.21 H new ATOM 0 HG3 GLU A 40 -5.591 4.734 -25.631 1.00 13.21 H new ATOM 647 N LEU A 41 -2.571 5.403 -21.258 1.00 32.42 N ATOM 648 CA LEU A 41 -1.721 6.412 -20.634 1.00 42.41 C ATOM 649 C LEU A 41 -0.292 5.903 -20.482 1.00 63.32 C ATOM 650 O LEU A 41 0.656 6.540 -20.939 1.00 70.44 O ATOM 651 CB LEU A 41 -2.284 6.806 -19.267 1.00 23.43 C ATOM 652 CG LEU A 41 -3.236 8.003 -19.252 1.00 22.25 C ATOM 653 CD1 LEU A 41 -3.764 8.247 -17.847 1.00 3.04 C ATOM 654 CD2 LEU A 41 -2.537 9.246 -19.784 1.00 11.04 C ATOM 0 H LEU A 41 -3.256 4.982 -20.631 1.00 32.42 H new ATOM 0 HA LEU A 41 -1.706 7.289 -21.280 1.00 42.41 H new ATOM 0 HB2 LEU A 41 -2.808 5.946 -18.851 1.00 23.43 H new ATOM 0 HB3 LEU A 41 -1.449 7.023 -18.601 1.00 23.43 H new ATOM 0 HG LEU A 41 -4.082 7.779 -19.902 1.00 22.25 H new ATOM 0 HD11 LEU A 41 -4.440 9.102 -17.856 1.00 3.04 H new ATOM 0 HD12 LEU A 41 -4.301 7.364 -17.502 1.00 3.04 H new ATOM 0 HD13 LEU A 41 -2.930 8.450 -17.175 1.00 3.04 H new ATOM 0 HD21 LEU A 41 -3.229 10.088 -19.766 1.00 11.04 H new ATOM 0 HD22 LEU A 41 -1.673 9.473 -19.159 1.00 11.04 H new ATOM 0 HD23 LEU A 41 -2.208 9.068 -20.808 1.00 11.04 H new ATOM 666 N GLU A 42 -0.146 4.749 -19.837 1.00 13.22 N ATOM 667 CA GLU A 42 1.168 4.154 -19.626 1.00 21.24 C ATOM 668 C GLU A 42 1.916 4.003 -20.948 1.00 72.43 C ATOM 669 O GLU A 42 3.147 4.015 -20.982 1.00 33.01 O ATOM 670 CB GLU A 42 1.032 2.790 -18.946 1.00 71.00 C ATOM 671 CG GLU A 42 1.428 2.799 -17.479 1.00 51.11 C ATOM 672 CD GLU A 42 0.553 1.895 -16.633 1.00 4.13 C ATOM 673 OE1 GLU A 42 -0.151 1.039 -17.210 1.00 75.30 O1- ATOM 674 OE2 GLU A 42 0.572 2.044 -15.393 1.00 42.01 O ATOM 0 H GLU A 42 -0.921 4.209 -19.452 1.00 13.22 H new ATOM 0 HA GLU A 42 1.740 4.819 -18.979 1.00 21.24 H new ATOM 0 HB2 GLU A 42 -0.000 2.451 -19.033 1.00 71.00 H new ATOM 0 HB3 GLU A 42 1.651 2.066 -19.476 1.00 71.00 H new ATOM 0 HG2 GLU A 42 2.467 2.484 -17.385 1.00 51.11 H new ATOM 0 HG3 GLU A 42 1.368 3.818 -17.097 1.00 51.11 H new ATOM 681 N ARG A 43 1.164 3.861 -22.034 1.00 44.00 N ATOM 682 CA ARG A 43 1.754 3.705 -23.358 1.00 52.33 C ATOM 683 C ARG A 43 2.467 4.984 -23.788 1.00 31.44 C ATOM 684 O ARG A 43 3.449 4.940 -24.528 1.00 10.24 O ATOM 685 CB ARG A 43 0.677 3.340 -24.381 1.00 73.25 C ATOM 686 CG ARG A 43 1.010 2.107 -25.203 1.00 12.25 C ATOM 687 CD ARG A 43 0.926 0.840 -24.368 1.00 60.41 C ATOM 688 NE ARG A 43 0.594 -0.330 -25.178 1.00 54.15 N ATOM 689 CZ ARG A 43 -0.594 -0.519 -25.742 1.00 21.35 C ATOM 690 NH1 ARG A 43 -1.556 0.379 -25.586 1.00 5.31 N1+ ATOM 691 NH2 ARG A 43 -0.819 -1.609 -26.465 1.00 73.41 N ATOM 0 H ARG A 43 0.144 3.851 -22.023 1.00 44.00 H new ATOM 0 HA ARG A 43 2.486 2.899 -23.310 1.00 52.33 H new ATOM 0 HB2 ARG A 43 -0.266 3.175 -23.860 1.00 73.25 H new ATOM 0 HB3 ARG A 43 0.526 4.184 -25.053 1.00 73.25 H new ATOM 0 HG2 ARG A 43 0.323 2.034 -26.046 1.00 12.25 H new ATOM 0 HG3 ARG A 43 2.013 2.205 -25.617 1.00 12.25 H new ATOM 0 HD2 ARG A 43 1.879 0.674 -23.865 1.00 60.41 H new ATOM 0 HD3 ARG A 43 0.173 0.968 -23.590 1.00 60.41 H new ATOM 0 HE ARG A 43 1.313 -1.040 -25.318 1.00 54.15 H new ATOM 0 HH11 ARG A 43 -1.385 1.218 -25.032 1.00 5.31 H new ATOM 0 HH12 ARG A 43 -2.467 0.231 -26.020 1.00 5.31 H new ATOM 0 HH21 ARG A 43 -0.080 -2.301 -26.587 1.00 73.41 H new ATOM 0 HH22 ARG A 43 -1.731 -1.754 -26.898 1.00 73.41 H new ATOM 705 N PHE A 44 1.965 6.121 -23.319 1.00 30.13 N ATOM 706 CA PHE A 44 2.553 7.413 -23.656 1.00 31.04 C ATOM 707 C PHE A 44 3.521 7.870 -22.569 1.00 13.31 C ATOM 708 O PHE A 44 3.748 9.066 -22.389 1.00 30.10 O ATOM 709 CB PHE A 44 1.456 8.461 -23.852 1.00 4.55 C ATOM 710 CG PHE A 44 0.631 8.241 -25.089 1.00 22.20 C ATOM 711 CD1 PHE A 44 1.238 7.951 -26.300 1.00 4.20 C ATOM 712 CD2 PHE A 44 -0.751 8.325 -25.039 1.00 41.40 C ATOM 713 CE1 PHE A 44 0.482 7.748 -27.439 1.00 61.34 C ATOM 714 CE2 PHE A 44 -1.513 8.123 -26.174 1.00 21.25 C ATOM 715 CZ PHE A 44 -0.895 7.834 -27.376 1.00 15.42 C ATOM 0 H PHE A 44 1.153 6.175 -22.705 1.00 30.13 H new ATOM 0 HA PHE A 44 3.108 7.300 -24.587 1.00 31.04 H new ATOM 0 HB2 PHE A 44 0.800 8.456 -22.982 1.00 4.55 H new ATOM 0 HB3 PHE A 44 1.913 9.449 -23.901 1.00 4.55 H new ATOM 0 HD1 PHE A 44 2.314 7.883 -26.355 1.00 4.20 H new ATOM 0 HD2 PHE A 44 -1.238 8.551 -24.102 1.00 41.40 H new ATOM 0 HE1 PHE A 44 0.967 7.522 -28.377 1.00 61.34 H new ATOM 0 HE2 PHE A 44 -2.590 8.191 -26.122 1.00 21.25 H new ATOM 0 HZ PHE A 44 -1.488 7.676 -28.265 1.00 15.42 H new ATOM 725 N ALA A 45 4.088 6.910 -21.847 1.00 23.11 N ATOM 726 CA ALA A 45 5.032 7.213 -20.778 1.00 25.14 C ATOM 727 C ALA A 45 4.358 7.995 -19.656 1.00 2.11 C ATOM 728 O ALA A 45 5.018 8.705 -18.898 1.00 22.21 O ATOM 729 CB ALA A 45 6.219 7.989 -21.328 1.00 12.51 C ATOM 0 H ALA A 45 3.910 5.915 -21.983 1.00 23.11 H new ATOM 0 HA ALA A 45 5.389 6.271 -20.363 1.00 25.14 H new ATOM 0 HB1 ALA A 45 6.916 8.209 -20.519 1.00 12.51 H new ATOM 0 HB2 ALA A 45 6.722 7.393 -22.089 1.00 12.51 H new ATOM 0 HB3 ALA A 45 5.870 8.922 -21.770 1.00 12.51 H new ATOM 735 N VAL A 46 3.040 7.862 -19.557 1.00 65.32 N ATOM 736 CA VAL A 46 2.276 8.555 -18.527 1.00 71.15 C ATOM 737 C VAL A 46 1.582 7.567 -17.596 1.00 0.34 C ATOM 738 O VAL A 46 0.825 6.706 -18.044 1.00 40.05 O ATOM 739 CB VAL A 46 1.220 9.490 -19.145 1.00 70.00 C ATOM 740 CG1 VAL A 46 0.410 10.175 -18.056 1.00 53.25 C ATOM 741 CG2 VAL A 46 1.883 10.516 -20.052 1.00 3.03 C ATOM 0 H VAL A 46 2.478 7.280 -20.178 1.00 65.32 H new ATOM 0 HA VAL A 46 2.987 9.150 -17.954 1.00 71.15 H new ATOM 0 HB VAL A 46 0.538 8.891 -19.749 1.00 70.00 H new ATOM 0 HG11 VAL A 46 -0.331 10.832 -18.512 1.00 53.25 H new ATOM 0 HG12 VAL A 46 -0.096 9.423 -17.451 1.00 53.25 H new ATOM 0 HG13 VAL A 46 1.075 10.763 -17.423 1.00 53.25 H new ATOM 0 HG21 VAL A 46 1.122 11.169 -20.480 1.00 3.03 H new ATOM 0 HG22 VAL A 46 2.588 11.112 -19.473 1.00 3.03 H new ATOM 0 HG23 VAL A 46 2.414 10.003 -20.854 1.00 3.03 H new ATOM 751 N ASN A 47 1.846 7.697 -16.301 1.00 64.02 N ATOM 752 CA ASN A 47 1.246 6.814 -15.307 1.00 62.30 C ATOM 753 C ASN A 47 -0.260 7.041 -15.216 1.00 72.13 C ATOM 754 O ASN A 47 -0.751 8.165 -15.327 1.00 4.52 O ATOM 755 CB ASN A 47 1.891 7.040 -13.938 1.00 71.32 C ATOM 756 CG ASN A 47 3.386 6.787 -13.955 1.00 62.50 C ATOM 757 OD1 ASN A 47 4.116 7.367 -14.758 1.00 31.52 O ATOM 758 ND2 ASN A 47 3.848 5.915 -13.065 1.00 4.30 N ATOM 0 H ASN A 47 2.471 8.405 -15.915 1.00 64.02 H new ATOM 0 HA ASN A 47 1.422 5.784 -15.619 1.00 62.30 H new ATOM 0 HB2 ASN A 47 1.702 8.064 -13.615 1.00 71.32 H new ATOM 0 HB3 ASN A 47 1.422 6.383 -13.206 1.00 71.32 H new ATOM 0 HD21 ASN A 47 4.845 5.703 -13.029 1.00 4.30 H new ATOM 0 HD22 ASN A 47 3.206 5.458 -12.418 1.00 4.30 H new ATOM 765 N PRO A 48 -1.012 5.951 -15.006 1.00 63.51 N ATOM 766 CA PRO A 48 -2.473 6.004 -14.893 1.00 34.15 C ATOM 767 C PRO A 48 -2.930 6.686 -13.609 1.00 41.00 C ATOM 768 O PRO A 48 -4.088 7.081 -13.482 1.00 4.32 O ATOM 769 CB PRO A 48 -2.884 4.530 -14.892 1.00 30.34 C ATOM 770 CG PRO A 48 -1.688 3.804 -14.379 1.00 32.44 C ATOM 771 CD PRO A 48 -0.493 4.580 -14.863 1.00 62.32 C ATOM 0 HA PRO A 48 -2.923 6.584 -15.699 1.00 34.15 H new ATOM 0 HB2 PRO A 48 -3.753 4.362 -14.255 1.00 30.34 H new ATOM 0 HB3 PRO A 48 -3.152 4.193 -15.893 1.00 30.34 H new ATOM 0 HG2 PRO A 48 -1.702 3.748 -13.291 1.00 32.44 H new ATOM 0 HG3 PRO A 48 -1.664 2.779 -14.750 1.00 32.44 H new ATOM 0 HD2 PRO A 48 0.331 4.534 -14.151 1.00 62.32 H new ATOM 0 HD3 PRO A 48 -0.118 4.191 -15.810 1.00 62.32 H new ATOM 779 N GLY A 49 -2.011 6.823 -12.657 1.00 65.13 N ATOM 780 CA GLY A 49 -2.340 7.457 -11.394 1.00 72.23 C ATOM 781 C GLY A 49 -2.708 8.919 -11.559 1.00 32.40 C ATOM 782 O GLY A 49 -3.461 9.472 -10.755 1.00 32.33 O ATOM 0 H GLY A 49 -1.045 6.506 -12.738 1.00 65.13 H new ATOM 0 HA2 GLY A 49 -3.171 6.926 -10.930 1.00 72.23 H new ATOM 0 HA3 GLY A 49 -1.490 7.373 -10.716 1.00 72.23 H new ATOM 786 N LEU A 50 -2.175 9.548 -12.600 1.00 3.14 N ATOM 787 CA LEU A 50 -2.450 10.956 -12.866 1.00 5.25 C ATOM 788 C LEU A 50 -3.950 11.203 -12.989 1.00 12.24 C ATOM 789 O LEU A 50 -4.429 12.310 -12.740 1.00 52.01 O ATOM 790 CB LEU A 50 -1.741 11.400 -14.147 1.00 3.45 C ATOM 791 CG LEU A 50 -0.212 11.376 -14.111 1.00 54.42 C ATOM 792 CD1 LEU A 50 0.361 11.955 -15.396 1.00 5.33 C ATOM 793 CD2 LEU A 50 0.304 12.144 -12.904 1.00 71.44 C ATOM 0 H LEU A 50 -1.550 9.106 -13.274 1.00 3.14 H new ATOM 0 HA LEU A 50 -2.072 11.541 -12.027 1.00 5.25 H new ATOM 0 HB2 LEU A 50 -2.075 10.760 -14.964 1.00 3.45 H new ATOM 0 HB3 LEU A 50 -2.063 12.414 -14.384 1.00 3.45 H new ATOM 0 HG LEU A 50 0.114 10.340 -14.025 1.00 54.42 H new ATOM 0 HD11 LEU A 50 1.450 11.930 -15.353 1.00 5.33 H new ATOM 0 HD12 LEU A 50 0.018 11.365 -16.246 1.00 5.33 H new ATOM 0 HD13 LEU A 50 0.026 12.986 -15.512 1.00 5.33 H new ATOM 0 HD21 LEU A 50 1.394 12.117 -12.894 1.00 71.44 H new ATOM 0 HD22 LEU A 50 -0.033 13.179 -12.960 1.00 71.44 H new ATOM 0 HD23 LEU A 50 -0.079 11.687 -11.991 1.00 71.44 H new ATOM 805 N LEU A 51 -4.686 10.166 -13.373 1.00 52.02 N ATOM 806 CA LEU A 51 -6.133 10.271 -13.527 1.00 63.31 C ATOM 807 C LEU A 51 -6.821 10.350 -12.167 1.00 23.35 C ATOM 808 O LEU A 51 -7.901 10.923 -12.041 1.00 42.35 O ATOM 809 CB LEU A 51 -6.670 9.074 -14.314 1.00 1.25 C ATOM 810 CG LEU A 51 -6.131 8.910 -15.735 1.00 31.05 C ATOM 811 CD1 LEU A 51 -6.481 7.536 -16.284 1.00 63.35 C ATOM 812 CD2 LEU A 51 -6.679 10.003 -16.643 1.00 31.44 C ATOM 0 H LEU A 51 -4.305 9.243 -13.583 1.00 52.02 H new ATOM 0 HA LEU A 51 -6.350 11.187 -14.077 1.00 63.31 H new ATOM 0 HB2 LEU A 51 -6.445 8.166 -13.754 1.00 1.25 H new ATOM 0 HB3 LEU A 51 -7.756 9.156 -14.366 1.00 1.25 H new ATOM 0 HG LEU A 51 -5.045 9.001 -15.703 1.00 31.05 H new ATOM 0 HD11 LEU A 51 -6.089 7.438 -17.296 1.00 63.35 H new ATOM 0 HD12 LEU A 51 -6.041 6.767 -15.649 1.00 63.35 H new ATOM 0 HD13 LEU A 51 -7.564 7.416 -16.301 1.00 63.35 H new ATOM 0 HD21 LEU A 51 -6.285 9.871 -17.651 1.00 31.44 H new ATOM 0 HD22 LEU A 51 -7.767 9.943 -16.668 1.00 31.44 H new ATOM 0 HD23 LEU A 51 -6.378 10.978 -16.261 1.00 31.44 H new ATOM 824 N GLU A 52 -6.185 9.771 -11.154 1.00 63.23 N ATOM 825 CA GLU A 52 -6.735 9.776 -9.804 1.00 55.25 C ATOM 826 C GLU A 52 -6.550 11.141 -9.146 1.00 21.44 C ATOM 827 O GLU A 52 -7.041 11.385 -8.043 1.00 1.42 O ATOM 828 CB GLU A 52 -6.070 8.693 -8.952 1.00 13.21 C ATOM 829 CG GLU A 52 -6.716 8.508 -7.589 1.00 4.44 C ATOM 830 CD GLU A 52 -6.281 7.225 -6.908 1.00 60.43 C ATOM 831 OE1 GLU A 52 -5.631 6.390 -7.571 1.00 55.31 O1- ATOM 832 OE2 GLU A 52 -6.590 7.056 -5.710 1.00 71.34 O ATOM 0 H GLU A 52 -5.289 9.293 -11.243 1.00 63.23 H new ATOM 0 HA GLU A 52 -7.802 9.567 -9.875 1.00 55.25 H new ATOM 0 HB2 GLU A 52 -6.103 7.747 -9.492 1.00 13.21 H new ATOM 0 HB3 GLU A 52 -5.018 8.945 -8.815 1.00 13.21 H new ATOM 0 HG2 GLU A 52 -6.464 9.356 -6.953 1.00 4.44 H new ATOM 0 HG3 GLU A 52 -7.800 8.506 -7.702 1.00 4.44 H new ATOM 839 N THR A 53 -5.835 12.028 -9.831 1.00 53.03 N ATOM 840 CA THR A 53 -5.582 13.368 -9.315 1.00 31.02 C ATOM 841 C THR A 53 -6.031 14.434 -10.307 1.00 43.50 C ATOM 842 O THR A 53 -5.686 14.383 -11.487 1.00 31.54 O ATOM 843 CB THR A 53 -4.089 13.575 -8.998 1.00 31.32 C ATOM 844 OG1 THR A 53 -3.343 13.703 -10.214 1.00 72.13 O ATOM 845 CG2 THR A 53 -3.543 12.413 -8.182 1.00 64.00 C ATOM 0 H THR A 53 -5.421 11.843 -10.745 1.00 53.03 H new ATOM 0 HA THR A 53 -6.159 13.466 -8.395 1.00 31.02 H new ATOM 0 HB THR A 53 -3.988 14.489 -8.412 1.00 31.32 H new ATOM 0 HG1 THR A 53 -3.872 13.353 -10.961 1.00 72.13 H new ATOM 0 HG21 THR A 53 -2.487 12.581 -7.970 1.00 64.00 H new ATOM 0 HG22 THR A 53 -4.093 12.337 -7.244 1.00 64.00 H new ATOM 0 HG23 THR A 53 -3.657 11.487 -8.746 1.00 64.00 H new ATOM 853 N SER A 54 -6.804 15.400 -9.821 1.00 72.43 N ATOM 854 CA SER A 54 -7.303 16.478 -10.667 1.00 44.33 C ATOM 855 C SER A 54 -6.155 17.193 -11.371 1.00 61.52 C ATOM 856 O SER A 54 -6.333 17.768 -12.444 1.00 35.40 O ATOM 857 CB SER A 54 -8.108 17.478 -9.834 1.00 22.31 C ATOM 858 OG SER A 54 -8.384 16.962 -8.544 1.00 64.42 O ATOM 0 H SER A 54 -7.098 15.458 -8.846 1.00 72.43 H new ATOM 0 HA SER A 54 -7.953 16.040 -11.424 1.00 44.33 H new ATOM 0 HB2 SER A 54 -7.553 18.412 -9.744 1.00 22.31 H new ATOM 0 HB3 SER A 54 -9.043 17.711 -10.344 1.00 22.31 H new ATOM 0 HG SER A 54 -8.898 17.621 -8.031 1.00 64.42 H new ATOM 864 N GLU A 55 -4.976 17.152 -10.758 1.00 30.13 N ATOM 865 CA GLU A 55 -3.797 17.797 -11.325 1.00 45.00 C ATOM 866 C GLU A 55 -3.240 16.982 -12.489 1.00 35.31 C ATOM 867 O GLU A 55 -2.947 17.523 -13.555 1.00 3.21 O ATOM 868 CB GLU A 55 -2.721 17.977 -10.252 1.00 12.10 C ATOM 869 CG GLU A 55 -3.168 18.837 -9.082 1.00 74.43 C ATOM 870 CD GLU A 55 -2.013 19.258 -8.193 1.00 12.03 C ATOM 871 OE1 GLU A 55 -0.857 18.920 -8.525 1.00 61.40 O ATOM 872 OE2 GLU A 55 -2.264 19.925 -7.169 1.00 74.25 O1- ATOM 0 H GLU A 55 -4.812 16.679 -9.869 1.00 30.13 H new ATOM 0 HA GLU A 55 -4.094 18.777 -11.699 1.00 45.00 H new ATOM 0 HB2 GLU A 55 -2.424 16.997 -9.879 1.00 12.10 H new ATOM 0 HB3 GLU A 55 -1.838 18.426 -10.706 1.00 12.10 H new ATOM 0 HG2 GLU A 55 -3.673 19.726 -9.461 1.00 74.43 H new ATOM 0 HG3 GLU A 55 -3.897 18.286 -8.488 1.00 74.43 H new ATOM 879 N GLY A 56 -3.093 15.678 -12.275 1.00 40.12 N ATOM 880 CA GLY A 56 -2.570 14.810 -13.313 1.00 14.31 C ATOM 881 C GLY A 56 -3.352 14.917 -14.607 1.00 0.42 C ATOM 882 O GLY A 56 -2.770 14.978 -15.691 1.00 73.54 O ATOM 0 H GLY A 56 -3.327 15.207 -11.401 1.00 40.12 H new ATOM 0 HA2 GLY A 56 -1.526 15.062 -13.501 1.00 14.31 H new ATOM 0 HA3 GLY A 56 -2.591 13.778 -12.964 1.00 14.31 H new ATOM 886 N CYS A 57 -4.676 14.937 -14.496 1.00 22.12 N ATOM 887 CA CYS A 57 -5.541 15.034 -15.666 1.00 52.21 C ATOM 888 C CYS A 57 -5.223 16.288 -16.475 1.00 32.55 C ATOM 889 O CYS A 57 -5.123 16.239 -17.701 1.00 22.11 O ATOM 890 CB CYS A 57 -7.010 15.045 -15.241 1.00 15.33 C ATOM 891 SG CYS A 57 -7.830 13.440 -15.375 1.00 3.22 S ATOM 0 H CYS A 57 -5.174 14.887 -13.607 1.00 22.12 H new ATOM 0 HA CYS A 57 -5.359 14.162 -16.295 1.00 52.21 H new ATOM 0 HB2 CYS A 57 -7.076 15.389 -14.209 1.00 15.33 H new ATOM 0 HB3 CYS A 57 -7.549 15.768 -15.853 1.00 15.33 H new ATOM 0 HG CYS A 57 -9.118 13.612 -15.409 1.00 3.22 H new ATOM 897 N ARG A 58 -5.066 17.410 -15.780 1.00 2.21 N ATOM 898 CA ARG A 58 -4.762 18.677 -16.434 1.00 53.13 C ATOM 899 C ARG A 58 -3.556 18.536 -17.358 1.00 0.20 C ATOM 900 O ARG A 58 -3.564 19.034 -18.484 1.00 4.32 O ATOM 901 CB ARG A 58 -4.494 19.762 -15.390 1.00 34.33 C ATOM 902 CG ARG A 58 -4.888 21.157 -15.846 1.00 51.30 C ATOM 903 CD ARG A 58 -3.738 22.140 -15.692 1.00 63.53 C ATOM 904 NE ARG A 58 -3.771 23.187 -16.710 1.00 3.41 N ATOM 905 CZ ARG A 58 -4.624 24.205 -16.689 1.00 34.45 C ATOM 906 NH1 ARG A 58 -5.507 24.314 -15.707 1.00 45.41 N1+ ATOM 907 NH2 ARG A 58 -4.593 25.117 -17.652 1.00 14.24 N ATOM 0 H ARG A 58 -5.144 17.467 -14.765 1.00 2.21 H new ATOM 0 HA ARG A 58 -5.626 18.965 -17.034 1.00 53.13 H new ATOM 0 HB2 ARG A 58 -5.040 19.519 -14.478 1.00 34.33 H new ATOM 0 HB3 ARG A 58 -3.434 19.757 -15.138 1.00 34.33 H new ATOM 0 HG2 ARG A 58 -5.203 21.124 -16.889 1.00 51.30 H new ATOM 0 HG3 ARG A 58 -5.743 21.503 -15.265 1.00 51.30 H new ATOM 0 HD2 ARG A 58 -3.781 22.595 -14.703 1.00 63.53 H new ATOM 0 HD3 ARG A 58 -2.792 21.603 -15.755 1.00 63.53 H new ATOM 0 HE ARG A 58 -3.103 23.133 -17.479 1.00 3.41 H new ATOM 0 HH11 ARG A 58 -5.533 23.615 -14.965 1.00 45.41 H new ATOM 0 HH12 ARG A 58 -6.161 25.097 -15.694 1.00 45.41 H new ATOM 0 HH21 ARG A 58 -3.914 25.037 -18.409 1.00 14.24 H new ATOM 0 HH22 ARG A 58 -5.248 25.899 -17.636 1.00 14.24 H new ATOM 921 N GLN A 59 -2.522 17.856 -16.874 1.00 52.14 N ATOM 922 CA GLN A 59 -1.308 17.652 -17.657 1.00 42.45 C ATOM 923 C GLN A 59 -1.581 16.750 -18.856 1.00 12.55 C ATOM 924 O GLN A 59 -0.985 16.920 -19.921 1.00 74.13 O ATOM 925 CB GLN A 59 -0.210 17.043 -16.785 1.00 73.32 C ATOM 926 CG GLN A 59 1.135 16.941 -17.484 1.00 32.44 C ATOM 927 CD GLN A 59 2.299 16.934 -16.512 1.00 12.23 C ATOM 928 OE1 GLN A 59 3.085 15.987 -16.472 1.00 63.22 O ATOM 929 NE2 GLN A 59 2.417 17.995 -15.722 1.00 33.13 N ATOM 0 H GLN A 59 -2.500 17.437 -15.944 1.00 52.14 H new ATOM 0 HA GLN A 59 -0.974 18.623 -18.023 1.00 42.45 H new ATOM 0 HB2 GLN A 59 -0.097 17.646 -15.884 1.00 73.32 H new ATOM 0 HB3 GLN A 59 -0.521 16.048 -16.466 1.00 73.32 H new ATOM 0 HG2 GLN A 59 1.161 16.030 -18.083 1.00 32.44 H new ATOM 0 HG3 GLN A 59 1.247 17.778 -18.173 1.00 32.44 H new ATOM 0 HE21 GLN A 59 1.743 18.758 -15.788 1.00 33.13 H new ATOM 0 HE22 GLN A 59 3.182 18.047 -15.049 1.00 33.13 H new ATOM 938 N ILE A 60 -2.482 15.790 -18.676 1.00 1.41 N ATOM 939 CA ILE A 60 -2.832 14.863 -19.745 1.00 65.44 C ATOM 940 C ILE A 60 -3.663 15.552 -20.822 1.00 13.01 C ATOM 941 O ILE A 60 -3.481 15.304 -22.015 1.00 53.00 O ATOM 942 CB ILE A 60 -3.618 13.652 -19.204 1.00 32.03 C ATOM 943 CG1 ILE A 60 -2.796 12.917 -18.143 1.00 54.32 C ATOM 944 CG2 ILE A 60 -3.989 12.711 -20.341 1.00 75.43 C ATOM 945 CD1 ILE A 60 -3.624 12.008 -17.261 1.00 2.55 C ATOM 0 H ILE A 60 -2.982 15.634 -17.801 1.00 1.41 H new ATOM 0 HA ILE A 60 -1.895 14.515 -20.180 1.00 65.44 H new ATOM 0 HB ILE A 60 -4.537 14.010 -18.741 1.00 32.03 H new ATOM 0 HG12 ILE A 60 -2.024 12.327 -18.637 1.00 54.32 H new ATOM 0 HG13 ILE A 60 -2.285 13.650 -17.518 1.00 54.32 H new ATOM 0 HG21 ILE A 60 -4.543 11.861 -19.944 1.00 75.43 H new ATOM 0 HG22 ILE A 60 -4.608 13.241 -21.065 1.00 75.43 H new ATOM 0 HG23 ILE A 60 -3.082 12.356 -20.830 1.00 75.43 H new ATOM 0 HD11 ILE A 60 -2.977 11.520 -16.533 1.00 2.55 H new ATOM 0 HD12 ILE A 60 -4.379 12.596 -16.739 1.00 2.55 H new ATOM 0 HD13 ILE A 60 -4.114 11.252 -17.875 1.00 2.55 H new ATOM 957 N LEU A 61 -4.572 16.420 -20.395 1.00 51.34 N ATOM 958 CA LEU A 61 -5.430 17.149 -21.323 1.00 64.31 C ATOM 959 C LEU A 61 -4.653 18.255 -22.030 1.00 35.44 C ATOM 960 O LEU A 61 -4.882 18.535 -23.205 1.00 53.44 O ATOM 961 CB LEU A 61 -6.627 17.746 -20.581 1.00 31.01 C ATOM 962 CG LEU A 61 -7.628 16.743 -20.007 1.00 50.33 C ATOM 963 CD1 LEU A 61 -8.517 17.412 -18.968 1.00 61.32 C ATOM 964 CD2 LEU A 61 -8.470 16.135 -21.119 1.00 52.45 C ATOM 0 H LEU A 61 -4.735 16.637 -19.412 1.00 51.34 H new ATOM 0 HA LEU A 61 -5.790 16.446 -22.074 1.00 64.31 H new ATOM 0 HB2 LEU A 61 -6.252 18.363 -19.764 1.00 31.01 H new ATOM 0 HB3 LEU A 61 -7.158 18.409 -21.264 1.00 31.01 H new ATOM 0 HG LEU A 61 -7.072 15.942 -19.519 1.00 50.33 H new ATOM 0 HD11 LEU A 61 -9.223 16.683 -18.570 1.00 61.32 H new ATOM 0 HD12 LEU A 61 -7.900 17.800 -18.157 1.00 61.32 H new ATOM 0 HD13 LEU A 61 -9.065 18.232 -19.432 1.00 61.32 H new ATOM 0 HD21 LEU A 61 -9.177 15.423 -20.692 1.00 52.45 H new ATOM 0 HD22 LEU A 61 -9.016 16.925 -21.635 1.00 52.45 H new ATOM 0 HD23 LEU A 61 -7.821 15.621 -21.827 1.00 52.45 H new ATOM 976 N GLY A 62 -3.729 18.878 -21.304 1.00 14.32 N ATOM 977 CA GLY A 62 -2.929 19.945 -21.879 1.00 63.12 C ATOM 978 C GLY A 62 -2.140 19.490 -23.090 1.00 23.41 C ATOM 979 O GLY A 62 -1.795 20.296 -23.952 1.00 12.55 O ATOM 0 H GLY A 62 -3.520 18.663 -20.329 1.00 14.32 H new ATOM 0 HA2 GLY A 62 -3.581 20.771 -22.163 1.00 63.12 H new ATOM 0 HA3 GLY A 62 -2.242 20.327 -21.124 1.00 63.12 H new ATOM 983 N GLN A 63 -1.852 18.193 -23.153 1.00 55.41 N ATOM 984 CA GLN A 63 -1.095 17.633 -24.266 1.00 13.32 C ATOM 985 C GLN A 63 -2.028 17.182 -25.386 1.00 33.02 C ATOM 986 O GLN A 63 -1.640 17.145 -26.555 1.00 33.13 O ATOM 987 CB GLN A 63 -0.243 16.455 -23.791 1.00 53.40 C ATOM 988 CG GLN A 63 1.170 16.848 -23.394 1.00 62.51 C ATOM 989 CD GLN A 63 2.153 15.701 -23.525 1.00 34.41 C ATOM 990 OE1 GLN A 63 1.811 14.544 -23.285 1.00 44.13 O ATOM 991 NE2 GLN A 63 3.385 16.018 -23.908 1.00 42.13 N ATOM 0 H GLN A 63 -2.131 17.512 -22.447 1.00 55.41 H new ATOM 0 HA GLN A 63 -0.439 18.412 -24.655 1.00 13.32 H new ATOM 0 HB2 GLN A 63 -0.733 15.983 -22.939 1.00 53.40 H new ATOM 0 HB3 GLN A 63 -0.195 15.709 -24.584 1.00 53.40 H new ATOM 0 HG2 GLN A 63 1.501 17.678 -24.018 1.00 62.51 H new ATOM 0 HG3 GLN A 63 1.168 17.204 -22.364 1.00 62.51 H new ATOM 0 HE21 GLN A 63 3.626 16.991 -24.097 1.00 42.13 H new ATOM 0 HE22 GLN A 63 4.090 15.288 -24.013 1.00 42.13 H new ATOM 1000 N LEU A 64 -3.258 16.839 -25.022 1.00 53.14 N ATOM 1001 CA LEU A 64 -4.247 16.391 -25.997 1.00 64.44 C ATOM 1002 C LEU A 64 -4.940 17.579 -26.657 1.00 20.15 C ATOM 1003 O LEU A 64 -5.422 17.478 -27.785 1.00 63.34 O ATOM 1004 CB LEU A 64 -5.286 15.492 -25.321 1.00 1.13 C ATOM 1005 CG LEU A 64 -4.771 14.154 -24.789 1.00 33.54 C ATOM 1006 CD1 LEU A 64 -5.898 13.370 -24.136 1.00 11.51 C ATOM 1007 CD2 LEU A 64 -4.135 13.344 -25.910 1.00 73.22 C ATOM 0 H LEU A 64 -3.595 16.862 -24.060 1.00 53.14 H new ATOM 0 HA LEU A 64 -3.728 15.822 -26.769 1.00 64.44 H new ATOM 0 HB2 LEU A 64 -5.730 16.043 -24.492 1.00 1.13 H new ATOM 0 HB3 LEU A 64 -6.085 15.293 -26.035 1.00 1.13 H new ATOM 0 HG LEU A 64 -4.010 14.353 -24.034 1.00 33.54 H new ATOM 0 HD11 LEU A 64 -5.513 12.421 -23.763 1.00 11.51 H new ATOM 0 HD12 LEU A 64 -6.309 13.946 -23.306 1.00 11.51 H new ATOM 0 HD13 LEU A 64 -6.682 13.181 -24.869 1.00 11.51 H new ATOM 0 HD21 LEU A 64 -3.774 12.395 -25.514 1.00 73.22 H new ATOM 0 HD22 LEU A 64 -4.875 13.154 -26.687 1.00 73.22 H new ATOM 0 HD23 LEU A 64 -3.300 13.902 -26.333 1.00 73.22 H new ATOM 1019 N GLN A 65 -4.981 18.702 -25.948 1.00 21.11 N ATOM 1020 CA GLN A 65 -5.612 19.910 -26.467 1.00 4.43 C ATOM 1021 C GLN A 65 -5.068 20.257 -27.849 1.00 31.13 C ATOM 1022 O GLN A 65 -5.797 20.288 -28.841 1.00 63.32 O ATOM 1023 CB GLN A 65 -5.389 21.080 -25.509 1.00 32.24 C ATOM 1024 CG GLN A 65 -6.578 21.363 -24.606 1.00 40.35 C ATOM 1025 CD GLN A 65 -6.249 22.340 -23.495 1.00 53.30 C ATOM 1026 OE1 GLN A 65 -6.550 22.095 -22.327 1.00 30.12 O ATOM 1027 NE2 GLN A 65 -5.628 23.457 -23.854 1.00 15.04 N ATOM 0 H GLN A 65 -4.585 18.801 -25.013 1.00 21.11 H new ATOM 0 HA GLN A 65 -6.682 19.722 -26.555 1.00 4.43 H new ATOM 0 HB2 GLN A 65 -4.516 20.871 -24.891 1.00 32.24 H new ATOM 0 HB3 GLN A 65 -5.163 21.975 -26.089 1.00 32.24 H new ATOM 0 HG2 GLN A 65 -7.397 21.762 -25.205 1.00 40.35 H new ATOM 0 HG3 GLN A 65 -6.929 20.428 -24.170 1.00 40.35 H new ATOM 0 HE21 GLN A 65 -5.397 23.620 -24.834 1.00 15.04 H new ATOM 0 HE22 GLN A 65 -5.382 24.152 -23.150 1.00 15.04 H new ATOM 1036 N PRO A 66 -3.756 20.526 -27.918 1.00 42.01 N ATOM 1037 CA PRO A 66 -3.085 20.876 -29.174 1.00 73.22 C ATOM 1038 C PRO A 66 -2.992 19.694 -30.131 1.00 4.33 C ATOM 1039 O PRO A 66 -2.799 19.870 -31.334 1.00 42.44 O ATOM 1040 CB PRO A 66 -1.688 21.308 -28.720 1.00 31.23 C ATOM 1041 CG PRO A 66 -1.474 20.600 -27.427 1.00 55.31 C ATOM 1042 CD PRO A 66 -2.826 20.509 -26.777 1.00 70.32 C ATOM 0 HA PRO A 66 -3.627 21.645 -29.725 1.00 73.22 H new ATOM 0 HB2 PRO A 66 -0.930 21.031 -29.453 1.00 31.23 H new ATOM 0 HB3 PRO A 66 -1.629 22.389 -28.594 1.00 31.23 H new ATOM 0 HG2 PRO A 66 -1.052 19.608 -27.590 1.00 55.31 H new ATOM 0 HG3 PRO A 66 -0.773 21.145 -26.795 1.00 55.31 H new ATOM 0 HD2 PRO A 66 -2.928 19.597 -26.189 1.00 70.32 H new ATOM 0 HD3 PRO A 66 -3.004 21.346 -26.101 1.00 70.32 H new ATOM 1050 N SER A 67 -3.131 18.487 -29.590 1.00 73.31 N ATOM 1051 CA SER A 67 -3.059 17.275 -30.397 1.00 11.00 C ATOM 1052 C SER A 67 -4.380 17.023 -31.117 1.00 51.43 C ATOM 1053 O SER A 67 -4.413 16.399 -32.178 1.00 3.12 O ATOM 1054 CB SER A 67 -2.707 16.072 -29.518 1.00 53.45 C ATOM 1055 OG SER A 67 -1.358 15.681 -29.706 1.00 40.35 O ATOM 0 H SER A 67 -3.294 18.323 -28.597 1.00 73.31 H new ATOM 0 HA SER A 67 -2.278 17.411 -31.145 1.00 11.00 H new ATOM 0 HB2 SER A 67 -2.874 16.322 -28.470 1.00 53.45 H new ATOM 0 HB3 SER A 67 -3.367 15.238 -29.756 1.00 53.45 H new ATOM 0 HG SER A 67 -1.157 14.912 -29.132 1.00 40.35 H new ATOM 1061 N LEU A 68 -5.468 17.515 -30.534 1.00 70.20 N ATOM 1062 CA LEU A 68 -6.793 17.345 -31.120 1.00 61.44 C ATOM 1063 C LEU A 68 -6.808 17.800 -32.575 1.00 4.21 C ATOM 1064 O LEU A 68 -7.566 17.275 -33.392 1.00 74.25 O ATOM 1065 CB LEU A 68 -7.831 18.131 -30.317 1.00 0.51 C ATOM 1066 CG LEU A 68 -8.296 17.489 -29.010 1.00 52.43 C ATOM 1067 CD1 LEU A 68 -8.629 18.557 -27.979 1.00 23.35 C ATOM 1068 CD2 LEU A 68 -9.499 16.590 -29.255 1.00 44.00 C ATOM 0 H LEU A 68 -5.459 18.035 -29.656 1.00 70.20 H new ATOM 0 HA LEU A 68 -7.044 16.285 -31.088 1.00 61.44 H new ATOM 0 HB2 LEU A 68 -7.417 19.113 -30.089 1.00 0.51 H new ATOM 0 HB3 LEU A 68 -8.704 18.293 -30.950 1.00 0.51 H new ATOM 0 HG LEU A 68 -7.483 16.877 -28.620 1.00 52.43 H new ATOM 0 HD11 LEU A 68 -8.958 18.081 -27.055 1.00 23.35 H new ATOM 0 HD12 LEU A 68 -7.743 19.160 -27.781 1.00 23.35 H new ATOM 0 HD13 LEU A 68 -9.425 19.196 -28.361 1.00 23.35 H new ATOM 0 HD21 LEU A 68 -9.816 16.142 -28.313 1.00 44.00 H new ATOM 0 HD22 LEU A 68 -10.316 17.181 -29.669 1.00 44.00 H new ATOM 0 HD23 LEU A 68 -9.228 15.803 -29.958 1.00 44.00 H new ATOM 1080 N GLN A 69 -5.964 18.775 -32.894 1.00 12.42 N ATOM 1081 CA GLN A 69 -5.879 19.299 -34.252 1.00 61.00 C ATOM 1082 C GLN A 69 -5.596 18.181 -35.250 1.00 2.32 C ATOM 1083 O GLN A 69 -6.142 18.165 -36.354 1.00 53.33 O ATOM 1084 CB GLN A 69 -4.789 20.367 -34.342 1.00 11.15 C ATOM 1085 CG GLN A 69 -4.876 21.221 -35.597 1.00 22.24 C ATOM 1086 CD GLN A 69 -5.422 22.608 -35.323 1.00 62.21 C ATOM 1087 OE1 GLN A 69 -6.461 22.762 -34.681 1.00 45.44 O ATOM 1088 NE2 GLN A 69 -4.723 23.627 -35.809 1.00 21.43 N ATOM 0 H GLN A 69 -5.329 19.219 -32.230 1.00 12.42 H new ATOM 0 HA GLN A 69 -6.840 19.749 -34.501 1.00 61.00 H new ATOM 0 HB2 GLN A 69 -4.853 21.014 -33.467 1.00 11.15 H new ATOM 0 HB3 GLN A 69 -3.813 19.882 -34.309 1.00 11.15 H new ATOM 0 HG2 GLN A 69 -3.885 21.306 -36.043 1.00 22.24 H new ATOM 0 HG3 GLN A 69 -5.512 20.722 -36.328 1.00 22.24 H new ATOM 0 HE21 GLN A 69 -3.867 23.453 -36.336 1.00 21.43 H new ATOM 0 HE22 GLN A 69 -5.042 24.584 -35.656 1.00 21.43 H new ATOM 1097 N THR A 70 -4.739 17.244 -34.855 1.00 75.33 N ATOM 1098 CA THR A 70 -4.382 16.123 -35.714 1.00 0.25 C ATOM 1099 C THR A 70 -4.386 14.812 -34.938 1.00 41.21 C ATOM 1100 O THR A 70 -3.508 13.970 -35.118 1.00 22.42 O ATOM 1101 CB THR A 70 -2.994 16.324 -36.352 1.00 2.51 C ATOM 1102 OG1 THR A 70 -2.741 17.721 -36.545 1.00 3.51 O ATOM 1103 CG2 THR A 70 -2.901 15.598 -37.686 1.00 72.01 C ATOM 0 H THR A 70 -4.279 17.240 -33.944 1.00 75.33 H new ATOM 0 HA THR A 70 -5.134 16.078 -36.502 1.00 0.25 H new ATOM 0 HB THR A 70 -2.245 15.909 -35.677 1.00 2.51 H new ATOM 0 HG1 THR A 70 -1.856 17.840 -36.949 1.00 3.51 H new ATOM 0 HG21 THR A 70 -1.912 15.755 -38.117 1.00 72.01 H new ATOM 0 HG22 THR A 70 -3.065 14.531 -37.532 1.00 72.01 H new ATOM 0 HG23 THR A 70 -3.659 15.987 -38.366 1.00 72.01 H new ATOM 1111 N GLY A 71 -5.383 14.644 -34.073 1.00 10.44 N ATOM 1112 CA GLY A 71 -5.483 13.432 -33.282 1.00 12.25 C ATOM 1113 C GLY A 71 -6.299 12.357 -33.971 1.00 64.22 C ATOM 1114 O GLY A 71 -7.098 12.648 -34.861 1.00 75.42 O ATOM 0 H GLY A 71 -6.123 15.326 -33.907 1.00 10.44 H new ATOM 0 HA2 GLY A 71 -4.482 13.050 -33.079 1.00 12.25 H new ATOM 0 HA3 GLY A 71 -5.936 13.667 -32.319 1.00 12.25 H new ATOM 1118 N SER A 72 -6.097 11.109 -33.560 1.00 4.51 N ATOM 1119 CA SER A 72 -6.816 9.984 -34.147 1.00 43.32 C ATOM 1120 C SER A 72 -7.904 9.482 -33.202 1.00 24.11 C ATOM 1121 O SER A 72 -8.185 10.102 -32.177 1.00 32.01 O ATOM 1122 CB SER A 72 -5.848 8.848 -34.479 1.00 23.12 C ATOM 1123 OG SER A 72 -5.715 7.956 -33.385 1.00 5.40 O ATOM 0 H SER A 72 -5.441 10.851 -32.823 1.00 4.51 H new ATOM 0 HA SER A 72 -7.288 10.328 -35.067 1.00 43.32 H new ATOM 0 HB2 SER A 72 -6.206 8.305 -35.354 1.00 23.12 H new ATOM 0 HB3 SER A 72 -4.873 9.261 -34.737 1.00 23.12 H new ATOM 0 HG SER A 72 -5.092 7.238 -33.623 1.00 5.40 H new ATOM 1129 N GLU A 73 -8.511 8.353 -33.556 1.00 51.43 N ATOM 1130 CA GLU A 73 -9.569 7.768 -32.739 1.00 4.34 C ATOM 1131 C GLU A 73 -9.108 7.594 -31.296 1.00 75.32 C ATOM 1132 O GLU A 73 -9.806 7.984 -30.360 1.00 4.13 O ATOM 1133 CB GLU A 73 -9.998 6.417 -33.315 1.00 62.33 C ATOM 1134 CG GLU A 73 -11.166 6.511 -34.282 1.00 0.42 C ATOM 1135 CD GLU A 73 -12.460 5.991 -33.688 1.00 5.15 C ATOM 1136 OE1 GLU A 73 -13.186 6.787 -33.058 1.00 11.42 O ATOM 1137 OE2 GLU A 73 -12.747 4.786 -33.852 1.00 21.50 O1- ATOM 0 H GLU A 73 -8.289 7.826 -34.401 1.00 51.43 H new ATOM 0 HA GLU A 73 -10.421 8.448 -32.750 1.00 4.34 H new ATOM 0 HB2 GLU A 73 -9.149 5.964 -33.827 1.00 62.33 H new ATOM 0 HB3 GLU A 73 -10.269 5.751 -32.495 1.00 62.33 H new ATOM 0 HG2 GLU A 73 -11.301 7.550 -34.583 1.00 0.42 H new ATOM 0 HG3 GLU A 73 -10.932 5.946 -35.184 1.00 0.42 H new ATOM 1144 N GLU A 74 -7.928 7.007 -31.124 1.00 71.53 N ATOM 1145 CA GLU A 74 -7.374 6.781 -29.793 1.00 42.31 C ATOM 1146 C GLU A 74 -7.245 8.095 -29.026 1.00 3.52 C ATOM 1147 O GLU A 74 -7.762 8.234 -27.917 1.00 4.44 O ATOM 1148 CB GLU A 74 -6.008 6.100 -29.893 1.00 2.25 C ATOM 1149 CG GLU A 74 -6.091 4.592 -30.063 1.00 14.44 C ATOM 1150 CD GLU A 74 -5.498 4.120 -31.376 1.00 31.01 C ATOM 1151 OE1 GLU A 74 -4.255 4.046 -31.473 1.00 2.05 O ATOM 1152 OE2 GLU A 74 -6.276 3.825 -32.308 1.00 71.52 O1- ATOM 0 H GLU A 74 -7.337 6.679 -31.888 1.00 71.53 H new ATOM 0 HA GLU A 74 -8.058 6.129 -29.250 1.00 42.31 H new ATOM 0 HB2 GLU A 74 -5.461 6.523 -30.736 1.00 2.25 H new ATOM 0 HB3 GLU A 74 -5.433 6.325 -28.995 1.00 2.25 H new ATOM 0 HG2 GLU A 74 -5.569 4.108 -29.238 1.00 14.44 H new ATOM 0 HG3 GLU A 74 -7.134 4.281 -30.007 1.00 14.44 H new ATOM 1159 N LEU A 75 -6.552 9.057 -29.626 1.00 22.41 N ATOM 1160 CA LEU A 75 -6.353 10.360 -29.001 1.00 21.01 C ATOM 1161 C LEU A 75 -7.690 11.009 -28.658 1.00 65.11 C ATOM 1162 O LEU A 75 -7.832 11.645 -27.614 1.00 22.01 O ATOM 1163 CB LEU A 75 -5.552 11.275 -29.929 1.00 23.12 C ATOM 1164 CG LEU A 75 -4.846 12.456 -29.261 1.00 11.41 C ATOM 1165 CD1 LEU A 75 -3.404 12.553 -29.735 1.00 70.13 C ATOM 1166 CD2 LEU A 75 -5.592 13.752 -29.546 1.00 33.35 C ATOM 0 H LEU A 75 -6.119 8.959 -30.544 1.00 22.41 H new ATOM 0 HA LEU A 75 -5.795 10.211 -28.077 1.00 21.01 H new ATOM 0 HB2 LEU A 75 -4.803 10.673 -30.442 1.00 23.12 H new ATOM 0 HB3 LEU A 75 -6.225 11.665 -30.692 1.00 23.12 H new ATOM 0 HG LEU A 75 -4.842 12.291 -28.184 1.00 11.41 H new ATOM 0 HD11 LEU A 75 -2.917 13.399 -29.249 1.00 70.13 H new ATOM 0 HD12 LEU A 75 -2.875 11.635 -29.480 1.00 70.13 H new ATOM 0 HD13 LEU A 75 -3.385 12.695 -30.816 1.00 70.13 H new ATOM 0 HD21 LEU A 75 -5.076 14.582 -29.063 1.00 33.35 H new ATOM 0 HD22 LEU A 75 -5.627 13.923 -30.622 1.00 33.35 H new ATOM 0 HD23 LEU A 75 -6.608 13.680 -29.157 1.00 33.35 H new ATOM 1178 N ARG A 76 -8.668 10.840 -29.542 1.00 63.24 N ATOM 1179 CA ARG A 76 -9.994 11.409 -29.331 1.00 23.13 C ATOM 1180 C ARG A 76 -10.672 10.773 -28.121 1.00 34.31 C ATOM 1181 O ARG A 76 -11.126 11.471 -27.214 1.00 5.34 O ATOM 1182 CB ARG A 76 -10.861 11.210 -30.577 1.00 35.23 C ATOM 1183 CG ARG A 76 -11.583 12.472 -31.022 1.00 4.42 C ATOM 1184 CD ARG A 76 -11.993 12.391 -32.484 1.00 50.33 C ATOM 1185 NE ARG A 76 -11.045 13.079 -33.357 1.00 1.10 N ATOM 1186 CZ ARG A 76 -10.961 14.401 -33.454 1.00 53.02 C ATOM 1187 NH1 ARG A 76 -11.764 15.174 -32.735 1.00 55.20 N1+ ATOM 1188 NH2 ARG A 76 -10.073 14.952 -34.271 1.00 34.00 N ATOM 0 H ARG A 76 -8.567 10.314 -30.410 1.00 63.24 H new ATOM 0 HA ARG A 76 -9.879 12.476 -29.142 1.00 23.13 H new ATOM 0 HB2 ARG A 76 -10.233 10.853 -31.393 1.00 35.23 H new ATOM 0 HB3 ARG A 76 -11.597 10.431 -30.377 1.00 35.23 H new ATOM 0 HG2 ARG A 76 -12.467 12.625 -30.403 1.00 4.42 H new ATOM 0 HG3 ARG A 76 -10.935 13.336 -30.872 1.00 4.42 H new ATOM 0 HD2 ARG A 76 -12.067 11.345 -32.782 1.00 50.33 H new ATOM 0 HD3 ARG A 76 -12.983 12.829 -32.608 1.00 50.33 H new ATOM 0 HE ARG A 76 -10.413 12.513 -33.923 1.00 1.10 H new ATOM 0 HH11 ARG A 76 -12.448 14.753 -32.106 1.00 55.20 H new ATOM 0 HH12 ARG A 76 -11.698 16.189 -32.811 1.00 55.20 H new ATOM 0 HH21 ARG A 76 -9.454 14.360 -34.825 1.00 34.00 H new ATOM 0 HH22 ARG A 76 -10.009 15.967 -34.345 1.00 34.00 H new ATOM 1202 N SER A 77 -10.736 9.445 -28.115 1.00 60.44 N ATOM 1203 CA SER A 77 -11.362 8.716 -27.019 1.00 64.15 C ATOM 1204 C SER A 77 -10.787 9.154 -25.675 1.00 3.13 C ATOM 1205 O SER A 77 -11.504 9.242 -24.678 1.00 41.14 O ATOM 1206 CB SER A 77 -11.167 7.210 -27.203 1.00 44.14 C ATOM 1207 OG SER A 77 -12.161 6.668 -28.056 1.00 72.43 O ATOM 0 H SER A 77 -10.362 8.853 -28.857 1.00 60.44 H new ATOM 0 HA SER A 77 -12.428 8.941 -27.029 1.00 64.15 H new ATOM 0 HB2 SER A 77 -10.179 7.016 -27.621 1.00 44.14 H new ATOM 0 HB3 SER A 77 -11.205 6.714 -26.233 1.00 44.14 H new ATOM 0 HG SER A 77 -12.014 5.705 -28.159 1.00 72.43 H new ATOM 1213 N LEU A 78 -9.487 9.428 -25.657 1.00 41.21 N ATOM 1214 CA LEU A 78 -8.812 9.857 -24.437 1.00 32.00 C ATOM 1215 C LEU A 78 -9.374 11.186 -23.943 1.00 52.12 C ATOM 1216 O LEU A 78 -9.849 11.288 -22.811 1.00 34.44 O ATOM 1217 CB LEU A 78 -7.307 9.986 -24.682 1.00 53.25 C ATOM 1218 CG LEU A 78 -6.439 8.852 -24.138 1.00 64.25 C ATOM 1219 CD1 LEU A 78 -6.620 8.715 -22.634 1.00 74.02 C ATOM 1220 CD2 LEU A 78 -6.774 7.542 -24.837 1.00 32.42 C ATOM 0 H LEU A 78 -8.879 9.361 -26.473 1.00 41.21 H new ATOM 0 HA LEU A 78 -8.986 9.102 -23.670 1.00 32.00 H new ATOM 0 HB2 LEU A 78 -7.139 10.062 -25.756 1.00 53.25 H new ATOM 0 HB3 LEU A 78 -6.966 10.922 -24.239 1.00 53.25 H new ATOM 0 HG LEU A 78 -5.395 9.092 -24.338 1.00 64.25 H new ATOM 0 HD11 LEU A 78 -5.994 7.903 -22.265 1.00 74.02 H new ATOM 0 HD12 LEU A 78 -6.331 9.646 -22.146 1.00 74.02 H new ATOM 0 HD13 LEU A 78 -7.665 8.498 -22.412 1.00 74.02 H new ATOM 0 HD21 LEU A 78 -6.146 6.745 -24.437 1.00 32.42 H new ATOM 0 HD22 LEU A 78 -7.823 7.297 -24.668 1.00 32.42 H new ATOM 0 HD23 LEU A 78 -6.593 7.644 -25.907 1.00 32.42 H new ATOM 1232 N TYR A 79 -9.321 12.200 -24.799 1.00 42.42 N ATOM 1233 CA TYR A 79 -9.826 13.523 -24.449 1.00 34.45 C ATOM 1234 C TYR A 79 -11.267 13.444 -23.958 1.00 51.22 C ATOM 1235 O TYR A 79 -11.708 14.268 -23.158 1.00 12.21 O ATOM 1236 CB TYR A 79 -9.735 14.461 -25.655 1.00 71.55 C ATOM 1237 CG TYR A 79 -9.646 15.923 -25.278 1.00 5.24 C ATOM 1238 CD1 TYR A 79 -8.522 16.427 -24.636 1.00 55.32 C ATOM 1239 CD2 TYR A 79 -10.686 16.799 -25.564 1.00 63.51 C ATOM 1240 CE1 TYR A 79 -8.436 17.762 -24.290 1.00 51.41 C ATOM 1241 CE2 TYR A 79 -10.609 18.134 -25.223 1.00 74.12 C ATOM 1242 CZ TYR A 79 -9.482 18.612 -24.586 1.00 14.22 C ATOM 1243 OH TYR A 79 -9.402 19.943 -24.243 1.00 23.34 O ATOM 0 H TYR A 79 -8.934 12.132 -25.740 1.00 42.42 H new ATOM 0 HA TYR A 79 -9.209 13.918 -23.642 1.00 34.45 H new ATOM 0 HB2 TYR A 79 -8.861 14.193 -26.248 1.00 71.55 H new ATOM 0 HB3 TYR A 79 -10.609 14.310 -26.289 1.00 71.55 H new ATOM 0 HD1 TYR A 79 -7.702 15.764 -24.403 1.00 55.32 H new ATOM 0 HD2 TYR A 79 -11.570 16.429 -26.062 1.00 63.51 H new ATOM 0 HE1 TYR A 79 -7.555 18.138 -23.791 1.00 51.41 H new ATOM 0 HE2 TYR A 79 -11.426 18.801 -25.453 1.00 74.12 H new ATOM 0 HH TYR A 79 -10.221 20.403 -24.523 1.00 23.34 H new ATOM 1253 N ASN A 80 -11.997 12.445 -24.444 1.00 54.12 N ATOM 1254 CA ASN A 80 -13.390 12.258 -24.056 1.00 23.34 C ATOM 1255 C ASN A 80 -13.491 11.761 -22.616 1.00 3.42 C ATOM 1256 O ASN A 80 -14.104 12.408 -21.766 1.00 2.04 O ATOM 1257 CB ASN A 80 -14.075 11.265 -24.999 1.00 71.45 C ATOM 1258 CG ASN A 80 -13.954 11.673 -26.453 1.00 11.11 C ATOM 1259 OD1 ASN A 80 -13.566 12.799 -26.765 1.00 72.35 O ATOM 1260 ND2 ASN A 80 -14.288 10.756 -27.355 1.00 63.13 N ATOM 0 H ASN A 80 -11.647 11.753 -25.107 1.00 54.12 H new ATOM 0 HA ASN A 80 -13.894 13.222 -24.126 1.00 23.34 H new ATOM 0 HB2 ASN A 80 -13.635 10.277 -24.864 1.00 71.45 H new ATOM 0 HB3 ASN A 80 -15.129 11.184 -24.734 1.00 71.45 H new ATOM 0 HD21 ASN A 80 -14.228 10.973 -28.350 1.00 63.13 H new ATOM 0 HD22 ASN A 80 -14.605 9.835 -27.053 1.00 63.13 H new ATOM 1267 N THR A 81 -12.885 10.608 -22.349 1.00 43.25 N ATOM 1268 CA THR A 81 -12.907 10.025 -21.014 1.00 50.03 C ATOM 1269 C THR A 81 -12.236 10.945 -20.001 1.00 63.00 C ATOM 1270 O THR A 81 -12.820 11.281 -18.971 1.00 44.32 O ATOM 1271 CB THR A 81 -12.206 8.653 -20.989 1.00 51.54 C ATOM 1272 OG1 THR A 81 -12.792 7.786 -21.966 1.00 33.52 O ATOM 1273 CG2 THR A 81 -12.310 8.018 -19.611 1.00 63.12 C ATOM 0 H THR A 81 -12.373 10.060 -23.040 1.00 43.25 H new ATOM 0 HA THR A 81 -13.955 9.894 -20.743 1.00 50.03 H new ATOM 0 HB THR A 81 -11.152 8.803 -21.223 1.00 51.54 H new ATOM 0 HG1 THR A 81 -12.543 8.089 -22.864 1.00 33.52 H new ATOM 0 HG21 THR A 81 -11.808 7.050 -19.617 1.00 63.12 H new ATOM 0 HG22 THR A 81 -11.837 8.667 -18.874 1.00 63.12 H new ATOM 0 HG23 THR A 81 -13.360 7.880 -19.352 1.00 63.12 H new ATOM 1281 N ILE A 82 -11.005 11.349 -20.300 1.00 40.34 N ATOM 1282 CA ILE A 82 -10.256 12.233 -19.415 1.00 25.51 C ATOM 1283 C ILE A 82 -11.063 13.479 -19.069 1.00 2.31 C ATOM 1284 O ILE A 82 -10.987 13.991 -17.953 1.00 63.42 O ATOM 1285 CB ILE A 82 -8.919 12.659 -20.047 1.00 12.31 C ATOM 1286 CG1 ILE A 82 -8.070 11.430 -20.377 1.00 20.02 C ATOM 1287 CG2 ILE A 82 -8.165 13.595 -19.113 1.00 42.25 C ATOM 1288 CD1 ILE A 82 -6.900 11.731 -21.288 1.00 24.55 C ATOM 0 H ILE A 82 -10.506 11.078 -21.147 1.00 40.34 H new ATOM 0 HA ILE A 82 -10.055 11.670 -18.503 1.00 25.51 H new ATOM 0 HB ILE A 82 -9.127 13.193 -20.974 1.00 12.31 H new ATOM 0 HG12 ILE A 82 -7.696 10.997 -19.449 1.00 20.02 H new ATOM 0 HG13 ILE A 82 -8.702 10.677 -20.848 1.00 20.02 H new ATOM 0 HG21 ILE A 82 -7.222 13.887 -19.574 1.00 42.25 H new ATOM 0 HG22 ILE A 82 -8.767 14.484 -18.924 1.00 42.25 H new ATOM 0 HG23 ILE A 82 -7.965 13.085 -18.170 1.00 42.25 H new ATOM 0 HD11 ILE A 82 -6.343 10.814 -21.479 1.00 24.55 H new ATOM 0 HD12 ILE A 82 -7.268 12.136 -22.231 1.00 24.55 H new ATOM 0 HD13 ILE A 82 -6.246 12.460 -20.811 1.00 24.55 H new ATOM 1300 N ALA A 83 -11.838 13.961 -20.035 1.00 44.53 N ATOM 1301 CA ALA A 83 -12.665 15.146 -19.832 1.00 31.52 C ATOM 1302 C ALA A 83 -13.697 14.913 -18.735 1.00 40.45 C ATOM 1303 O ALA A 83 -13.736 15.637 -17.740 1.00 13.21 O ATOM 1304 CB ALA A 83 -13.350 15.540 -21.131 1.00 25.11 C ATOM 0 H ALA A 83 -11.911 13.550 -20.966 1.00 44.53 H new ATOM 0 HA ALA A 83 -12.016 15.963 -19.515 1.00 31.52 H new ATOM 0 HB1 ALA A 83 -13.964 16.425 -20.965 1.00 25.11 H new ATOM 0 HB2 ALA A 83 -12.597 15.757 -21.888 1.00 25.11 H new ATOM 0 HB3 ALA A 83 -13.982 14.720 -21.473 1.00 25.11 H new ATOM 1310 N VAL A 84 -14.536 13.898 -18.923 1.00 15.31 N ATOM 1311 CA VAL A 84 -15.569 13.570 -17.950 1.00 42.42 C ATOM 1312 C VAL A 84 -14.967 13.314 -16.572 1.00 11.43 C ATOM 1313 O VAL A 84 -15.546 13.684 -15.550 1.00 12.24 O ATOM 1314 CB VAL A 84 -16.377 12.331 -18.384 1.00 72.43 C ATOM 1315 CG1 VAL A 84 -17.447 12.004 -17.353 1.00 20.21 C ATOM 1316 CG2 VAL A 84 -16.995 12.553 -19.755 1.00 0.32 C ATOM 0 H VAL A 84 -14.519 13.289 -19.741 1.00 15.31 H new ATOM 0 HA VAL A 84 -16.237 14.430 -17.897 1.00 42.42 H new ATOM 0 HB VAL A 84 -15.699 11.480 -18.450 1.00 72.43 H new ATOM 0 HG11 VAL A 84 -18.007 11.127 -17.676 1.00 20.21 H new ATOM 0 HG12 VAL A 84 -16.976 11.800 -16.392 1.00 20.21 H new ATOM 0 HG13 VAL A 84 -18.126 12.851 -17.252 1.00 20.21 H new ATOM 0 HG21 VAL A 84 -17.562 11.669 -20.046 1.00 0.32 H new ATOM 0 HG22 VAL A 84 -17.661 13.415 -19.719 1.00 0.32 H new ATOM 0 HG23 VAL A 84 -16.206 12.735 -20.485 1.00 0.32 H new ATOM 1326 N LEU A 85 -13.800 12.678 -16.553 1.00 41.52 N ATOM 1327 CA LEU A 85 -13.117 12.373 -15.302 1.00 64.44 C ATOM 1328 C LEU A 85 -12.661 13.650 -14.603 1.00 64.11 C ATOM 1329 O LEU A 85 -13.008 13.896 -13.448 1.00 41.41 O ATOM 1330 CB LEU A 85 -11.916 11.463 -15.562 1.00 1.02 C ATOM 1331 CG LEU A 85 -11.402 10.667 -14.361 1.00 51.14 C ATOM 1332 CD1 LEU A 85 -11.826 9.210 -14.466 1.00 55.21 C ATOM 1333 CD2 LEU A 85 -9.888 10.779 -14.255 1.00 45.42 C ATOM 0 H LEU A 85 -13.308 12.364 -17.390 1.00 41.52 H new ATOM 0 HA LEU A 85 -13.821 11.857 -14.650 1.00 64.44 H new ATOM 0 HB2 LEU A 85 -12.183 10.760 -16.351 1.00 1.02 H new ATOM 0 HB3 LEU A 85 -11.098 12.075 -15.944 1.00 1.02 H new ATOM 0 HG LEU A 85 -11.841 11.087 -13.456 1.00 51.14 H new ATOM 0 HD11 LEU A 85 -11.452 8.659 -13.603 1.00 55.21 H new ATOM 0 HD12 LEU A 85 -12.914 9.149 -14.491 1.00 55.21 H new ATOM 0 HD13 LEU A 85 -11.417 8.777 -15.379 1.00 55.21 H new ATOM 0 HD21 LEU A 85 -9.540 10.207 -13.395 1.00 45.42 H new ATOM 0 HD22 LEU A 85 -9.430 10.386 -15.162 1.00 45.42 H new ATOM 0 HD23 LEU A 85 -9.608 11.825 -14.132 1.00 45.42 H new ATOM 1345 N TYR A 86 -11.884 14.460 -15.313 1.00 2.30 N ATOM 1346 CA TYR A 86 -11.380 15.713 -14.762 1.00 65.12 C ATOM 1347 C TYR A 86 -12.517 16.554 -14.191 1.00 3.42 C ATOM 1348 O TYR A 86 -12.432 17.055 -13.070 1.00 21.21 O ATOM 1349 CB TYR A 86 -10.636 16.505 -15.838 1.00 1.33 C ATOM 1350 CG TYR A 86 -10.201 17.881 -15.387 1.00 44.13 C ATOM 1351 CD1 TYR A 86 -9.025 18.059 -14.670 1.00 20.14 C ATOM 1352 CD2 TYR A 86 -10.968 19.003 -15.677 1.00 64.33 C ATOM 1353 CE1 TYR A 86 -8.626 19.314 -14.254 1.00 12.14 C ATOM 1354 CE2 TYR A 86 -10.575 20.262 -15.267 1.00 44.33 C ATOM 1355 CZ TYR A 86 -9.404 20.412 -14.555 1.00 52.15 C ATOM 1356 OH TYR A 86 -9.008 21.665 -14.144 1.00 42.34 O ATOM 0 H TYR A 86 -11.589 14.272 -16.271 1.00 2.30 H new ATOM 0 HA TYR A 86 -10.689 15.473 -13.954 1.00 65.12 H new ATOM 0 HB2 TYR A 86 -9.758 15.940 -16.151 1.00 1.33 H new ATOM 0 HB3 TYR A 86 -11.279 16.605 -16.713 1.00 1.33 H new ATOM 0 HD1 TYR A 86 -8.412 17.202 -14.434 1.00 20.14 H new ATOM 0 HD2 TYR A 86 -11.887 18.889 -16.232 1.00 64.33 H new ATOM 0 HE1 TYR A 86 -7.709 19.435 -13.696 1.00 12.14 H new ATOM 0 HE2 TYR A 86 -11.181 21.124 -15.503 1.00 44.33 H new ATOM 0 HH TYR A 86 -9.666 22.329 -14.438 1.00 42.34 H new ATOM 1366 N CYS A 87 -13.583 16.703 -14.971 1.00 33.14 N ATOM 1367 CA CYS A 87 -14.739 17.483 -14.545 1.00 45.13 C ATOM 1368 C CYS A 87 -15.230 17.024 -13.176 1.00 75.45 C ATOM 1369 O CYS A 87 -15.677 17.832 -12.362 1.00 75.43 O ATOM 1370 CB CYS A 87 -15.867 17.364 -15.570 1.00 44.32 C ATOM 1371 SG CYS A 87 -15.604 18.332 -17.074 1.00 34.11 S ATOM 0 H CYS A 87 -13.670 16.294 -15.901 1.00 33.14 H new ATOM 0 HA CYS A 87 -14.434 18.527 -14.471 1.00 45.13 H new ATOM 0 HB2 CYS A 87 -15.987 16.315 -15.842 1.00 44.32 H new ATOM 0 HB3 CYS A 87 -16.801 17.681 -15.105 1.00 44.32 H new ATOM 0 HG CYS A 87 -16.753 18.695 -17.563 1.00 34.11 H new ATOM 1377 N VAL A 88 -15.144 15.721 -12.929 1.00 61.45 N ATOM 1378 CA VAL A 88 -15.579 15.153 -11.657 1.00 41.45 C ATOM 1379 C VAL A 88 -14.665 15.589 -10.519 1.00 31.44 C ATOM 1380 O VAL A 88 -15.131 16.000 -9.455 1.00 14.43 O ATOM 1381 CB VAL A 88 -15.616 13.615 -11.712 1.00 11.35 C ATOM 1382 CG1 VAL A 88 -16.097 13.043 -10.388 1.00 72.03 C ATOM 1383 CG2 VAL A 88 -16.500 13.144 -12.858 1.00 71.43 C ATOM 0 H VAL A 88 -14.777 15.038 -13.592 1.00 61.45 H new ATOM 0 HA VAL A 88 -16.586 15.526 -11.472 1.00 41.45 H new ATOM 0 HB VAL A 88 -14.604 13.252 -11.890 1.00 11.35 H new ATOM 0 HG11 VAL A 88 -16.116 11.955 -10.447 1.00 72.03 H new ATOM 0 HG12 VAL A 88 -15.420 13.351 -9.591 1.00 72.03 H new ATOM 0 HG13 VAL A 88 -17.100 13.412 -10.175 1.00 72.03 H new ATOM 0 HG21 VAL A 88 -16.515 12.054 -12.882 1.00 71.43 H new ATOM 0 HG22 VAL A 88 -17.514 13.517 -12.713 1.00 71.43 H new ATOM 0 HG23 VAL A 88 -16.106 13.522 -13.801 1.00 71.43 H new ATOM 1393 N HIS A 89 -13.359 15.497 -10.748 1.00 23.44 N ATOM 1394 CA HIS A 89 -12.375 15.882 -9.741 1.00 2.22 C ATOM 1395 C HIS A 89 -12.429 17.385 -9.479 1.00 22.43 C ATOM 1396 O HIS A 89 -12.204 17.765 -8.330 1.00 13.43 O ATOM 1397 CB HIS A 89 -10.970 15.481 -10.191 1.00 30.40 C ATOM 1398 CG HIS A 89 -10.762 13.999 -10.258 1.00 61.25 C ATOM 1399 ND1 HIS A 89 -11.482 13.103 -9.496 1.00 64.33 N ATOM 1400 CD2 HIS A 89 -9.910 13.257 -11.002 1.00 44.23 C ATOM 1401 CE1 HIS A 89 -11.081 11.875 -9.770 1.00 64.15 C ATOM 1402 NE2 HIS A 89 -10.129 11.940 -10.682 1.00 74.34 N ATOM 0 H HIS A 89 -12.957 15.159 -11.622 1.00 23.44 H new ATOM 0 HA HIS A 89 -12.614 15.359 -8.815 1.00 2.22 H new ATOM 0 HB2 HIS A 89 -10.775 15.912 -11.173 1.00 30.40 H new ATOM 0 HB3 HIS A 89 -10.241 15.911 -9.504 1.00 30.40 H new ATOM 0 HD2 HIS A 89 -9.191 13.631 -11.715 1.00 44.23 H new ATOM 0 HE1 HIS A 89 -11.467 10.970 -9.323 1.00 64.15 H new ATOM 0 HE2 HIS A 89 -9.636 11.142 -11.083 1.00 74.34 H new ATOM 1411 N GLN A 90 -12.709 18.217 -10.477 1.00 24.32 N ATOM 1412 CA GLN A 90 -12.770 19.659 -10.273 1.00 51.14 C ATOM 1413 C GLN A 90 -14.066 20.055 -9.573 1.00 15.11 C ATOM 1414 O GLN A 90 -14.061 20.416 -8.395 1.00 14.34 O ATOM 1415 CB GLN A 90 -12.655 20.390 -11.612 1.00 42.30 C ATOM 1416 CG GLN A 90 -11.362 21.171 -11.770 1.00 34.52 C ATOM 1417 CD GLN A 90 -11.177 22.220 -10.690 1.00 2.51 C ATOM 1418 OE1 GLN A 90 -12.068 22.446 -9.871 1.00 71.11 O ATOM 1419 NE2 GLN A 90 -10.019 22.867 -10.685 1.00 31.41 N ATOM 0 H GLN A 90 -12.897 17.917 -11.434 1.00 24.32 H new ATOM 0 HA GLN A 90 -11.933 19.947 -9.637 1.00 51.14 H new ATOM 0 HB2 GLN A 90 -12.732 19.663 -12.421 1.00 42.30 H new ATOM 0 HB3 GLN A 90 -13.498 21.074 -11.717 1.00 42.30 H new ATOM 0 HG2 GLN A 90 -10.520 20.480 -11.748 1.00 34.52 H new ATOM 0 HG3 GLN A 90 -11.351 21.655 -12.747 1.00 34.52 H new ATOM 0 HE21 GLN A 90 -9.309 22.647 -11.383 1.00 31.41 H new ATOM 0 HE22 GLN A 90 -9.839 23.585 -9.983 1.00 31.41 H new ATOM 1428 N ARG A 91 -15.173 19.988 -10.305 1.00 20.53 N ATOM 1429 CA ARG A 91 -16.475 20.341 -9.754 1.00 40.44 C ATOM 1430 C ARG A 91 -17.574 20.156 -10.796 1.00 51.52 C ATOM 1431 O ARG A 91 -18.694 19.760 -10.469 1.00 21.45 O ATOM 1432 CB ARG A 91 -16.467 21.788 -9.258 1.00 75.25 C ATOM 1433 CG ARG A 91 -15.848 22.766 -10.243 1.00 52.42 C ATOM 1434 CD ARG A 91 -16.376 24.177 -10.034 1.00 73.33 C ATOM 1435 NE ARG A 91 -15.297 25.153 -9.903 1.00 24.32 N ATOM 1436 CZ ARG A 91 -15.467 26.462 -10.047 1.00 45.14 C ATOM 1437 NH1 ARG A 91 -16.669 26.951 -10.323 1.00 2.14 N1+ ATOM 1438 NH2 ARG A 91 -14.436 27.285 -9.913 1.00 14.11 N ATOM 0 H ARG A 91 -15.194 19.692 -11.281 1.00 20.53 H new ATOM 0 HA ARG A 91 -16.678 19.677 -8.914 1.00 40.44 H new ATOM 0 HB2 ARG A 91 -17.491 22.097 -9.047 1.00 75.25 H new ATOM 0 HB3 ARG A 91 -15.919 21.838 -8.317 1.00 75.25 H new ATOM 0 HG2 ARG A 91 -14.764 22.761 -10.129 1.00 52.42 H new ATOM 0 HG3 ARG A 91 -16.063 22.443 -11.262 1.00 52.42 H new ATOM 0 HD2 ARG A 91 -17.014 24.453 -10.873 1.00 73.33 H new ATOM 0 HD3 ARG A 91 -16.998 24.202 -9.139 1.00 73.33 H new ATOM 0 HE ARG A 91 -14.361 24.810 -9.689 1.00 24.32 H new ATOM 0 HH11 ARG A 91 -17.465 26.321 -10.425 1.00 2.14 H new ATOM 0 HH12 ARG A 91 -16.797 27.957 -10.433 1.00 2.14 H new ATOM 0 HH21 ARG A 91 -13.511 26.913 -9.699 1.00 14.11 H new ATOM 0 HH22 ARG A 91 -14.568 28.290 -10.024 1.00 14.11 H new ATOM 1452 N ILE A 92 -17.248 20.446 -12.051 1.00 10.34 N ATOM 1453 CA ILE A 92 -18.207 20.311 -13.140 1.00 52.41 C ATOM 1454 C ILE A 92 -18.849 18.928 -13.139 1.00 1.34 C ATOM 1455 O ILE A 92 -18.155 17.911 -13.151 1.00 62.34 O ATOM 1456 CB ILE A 92 -17.543 20.556 -14.508 1.00 41.30 C ATOM 1457 CG1 ILE A 92 -16.860 21.925 -14.531 1.00 61.01 C ATOM 1458 CG2 ILE A 92 -18.574 20.454 -15.624 1.00 71.44 C ATOM 1459 CD1 ILE A 92 -15.354 21.850 -14.419 1.00 13.11 C ATOM 0 H ILE A 92 -16.327 20.776 -12.339 1.00 10.34 H new ATOM 0 HA ILE A 92 -18.977 21.066 -12.978 1.00 52.41 H new ATOM 0 HB ILE A 92 -16.785 19.790 -14.669 1.00 41.30 H new ATOM 0 HG12 ILE A 92 -17.122 22.438 -15.456 1.00 61.01 H new ATOM 0 HG13 ILE A 92 -17.248 22.529 -13.711 1.00 61.01 H new ATOM 0 HG21 ILE A 92 -18.089 20.630 -16.584 1.00 71.44 H new ATOM 0 HG22 ILE A 92 -19.019 19.459 -15.619 1.00 71.44 H new ATOM 0 HG23 ILE A 92 -19.353 21.200 -15.469 1.00 71.44 H new ATOM 0 HD11 ILE A 92 -14.937 22.857 -14.442 1.00 13.11 H new ATOM 0 HD12 ILE A 92 -15.083 21.366 -13.481 1.00 13.11 H new ATOM 0 HD13 ILE A 92 -14.955 21.273 -15.253 1.00 13.11 H new ATOM 1471 N ASP A 93 -20.176 18.898 -13.128 1.00 2.54 N ATOM 1472 CA ASP A 93 -20.913 17.639 -13.129 1.00 44.10 C ATOM 1473 C ASP A 93 -21.749 17.499 -14.397 1.00 51.02 C ATOM 1474 O ASP A 93 -22.965 17.317 -14.335 1.00 52.53 O ATOM 1475 CB ASP A 93 -21.814 17.550 -11.896 1.00 13.24 C ATOM 1476 CG ASP A 93 -21.042 17.712 -10.602 1.00 32.31 C ATOM 1477 OD1 ASP A 93 -19.874 17.274 -10.550 1.00 31.32 O1- ATOM 1478 OD2 ASP A 93 -21.606 18.276 -9.641 1.00 61.12 O ATOM 0 H ASP A 93 -20.765 19.731 -13.118 1.00 2.54 H new ATOM 0 HA ASP A 93 -20.190 16.824 -13.101 1.00 44.10 H new ATOM 0 HB2 ASP A 93 -22.583 18.320 -11.955 1.00 13.24 H new ATOM 0 HB3 ASP A 93 -22.326 16.588 -11.892 1.00 13.24 H new ATOM 1483 N VAL A 94 -21.089 17.588 -15.548 1.00 41.15 N ATOM 1484 CA VAL A 94 -21.773 17.472 -16.831 1.00 33.13 C ATOM 1485 C VAL A 94 -22.580 16.181 -16.909 1.00 51.31 C ATOM 1486 O VAL A 94 -22.408 15.278 -16.091 1.00 21.21 O ATOM 1487 CB VAL A 94 -20.773 17.511 -18.004 1.00 44.15 C ATOM 1488 CG1 VAL A 94 -19.978 18.808 -17.984 1.00 24.31 C ATOM 1489 CG2 VAL A 94 -19.847 16.306 -17.954 1.00 52.43 C ATOM 0 H VAL A 94 -20.083 17.740 -15.618 1.00 41.15 H new ATOM 0 HA VAL A 94 -22.448 18.324 -16.909 1.00 33.13 H new ATOM 0 HB VAL A 94 -21.333 17.471 -18.939 1.00 44.15 H new ATOM 0 HG11 VAL A 94 -19.277 18.818 -18.819 1.00 24.31 H new ATOM 0 HG12 VAL A 94 -20.660 19.654 -18.072 1.00 24.31 H new ATOM 0 HG13 VAL A 94 -19.427 18.882 -17.047 1.00 24.31 H new ATOM 0 HG21 VAL A 94 -19.148 16.350 -18.789 1.00 52.43 H new ATOM 0 HG22 VAL A 94 -19.292 16.312 -17.016 1.00 52.43 H new ATOM 0 HG23 VAL A 94 -20.436 15.391 -18.021 1.00 52.43 H new ATOM 1499 N LYS A 95 -23.463 16.102 -17.899 1.00 21.04 N ATOM 1500 CA LYS A 95 -24.297 14.920 -18.087 1.00 54.32 C ATOM 1501 C LYS A 95 -23.713 14.006 -19.159 1.00 50.43 C ATOM 1502 O LYS A 95 -23.946 12.798 -19.151 1.00 2.54 O ATOM 1503 CB LYS A 95 -25.720 15.333 -18.472 1.00 2.10 C ATOM 1504 CG LYS A 95 -26.738 15.109 -17.367 1.00 1.43 C ATOM 1505 CD LYS A 95 -27.771 16.223 -17.327 1.00 63.32 C ATOM 1506 CE LYS A 95 -29.137 15.702 -16.908 1.00 23.20 C ATOM 1507 NZ LYS A 95 -29.985 15.361 -18.083 1.00 53.21 N1+ ATOM 0 H LYS A 95 -23.620 16.842 -18.583 1.00 21.04 H new ATOM 0 HA LYS A 95 -24.326 14.372 -17.145 1.00 54.32 H new ATOM 0 HB2 LYS A 95 -25.721 16.388 -18.748 1.00 2.10 H new ATOM 0 HB3 LYS A 95 -26.026 14.772 -19.355 1.00 2.10 H new ATOM 0 HG2 LYS A 95 -27.238 14.153 -17.520 1.00 1.43 H new ATOM 0 HG3 LYS A 95 -26.227 15.051 -16.406 1.00 1.43 H new ATOM 0 HD2 LYS A 95 -27.446 16.997 -16.631 1.00 63.32 H new ATOM 0 HD3 LYS A 95 -27.844 16.689 -18.310 1.00 63.32 H new ATOM 0 HE2 LYS A 95 -29.012 14.819 -16.282 1.00 23.20 H new ATOM 0 HE3 LYS A 95 -29.642 16.454 -16.302 1.00 23.20 H new ATOM 0 HZ1 LYS A 95 -30.907 15.010 -17.755 1.00 53.21 H new ATOM 0 HZ2 LYS A 95 -30.126 16.210 -18.668 1.00 53.21 H new ATOM 0 HZ3 LYS A 95 -29.515 14.625 -18.648 1.00 53.21 H new ATOM 1521 N ASP A 96 -22.955 14.591 -20.080 1.00 75.44 N ATOM 1522 CA ASP A 96 -22.336 13.829 -21.157 1.00 22.15 C ATOM 1523 C ASP A 96 -20.891 14.270 -21.375 1.00 21.10 C ATOM 1524 O ASP A 96 -20.383 15.138 -20.666 1.00 34.54 O ATOM 1525 CB ASP A 96 -23.133 13.994 -22.451 1.00 10.40 C ATOM 1526 CG ASP A 96 -23.640 15.410 -22.643 1.00 72.44 C ATOM 1527 OD1 ASP A 96 -22.803 16.332 -22.744 1.00 12.12 O ATOM 1528 OD2 ASP A 96 -24.874 15.598 -22.690 1.00 24.33 O1- ATOM 0 H ASP A 96 -22.755 15.591 -20.102 1.00 75.44 H new ATOM 0 HA ASP A 96 -22.337 12.777 -20.871 1.00 22.15 H new ATOM 0 HB2 ASP A 96 -22.505 13.718 -23.298 1.00 10.40 H new ATOM 0 HB3 ASP A 96 -23.979 13.306 -22.443 1.00 10.40 H new ATOM 1533 N THR A 97 -20.235 13.665 -22.359 1.00 2.12 N ATOM 1534 CA THR A 97 -18.849 13.993 -22.670 1.00 22.10 C ATOM 1535 C THR A 97 -18.751 15.322 -23.407 1.00 14.21 C ATOM 1536 O THR A 97 -17.860 16.130 -23.139 1.00 64.45 O ATOM 1537 CB THR A 97 -18.189 12.895 -23.524 1.00 4.34 C ATOM 1538 OG1 THR A 97 -18.339 11.621 -22.888 1.00 62.04 O ATOM 1539 CG2 THR A 97 -16.712 13.189 -23.738 1.00 3.21 C ATOM 0 H THR A 97 -20.641 12.944 -22.955 1.00 2.12 H new ATOM 0 HA THR A 97 -18.322 14.068 -21.719 1.00 22.10 H new ATOM 0 HB THR A 97 -18.684 12.876 -24.495 1.00 4.34 H new ATOM 0 HG1 THR A 97 -19.245 11.542 -22.523 1.00 62.04 H new ATOM 0 HG21 THR A 97 -16.268 12.399 -24.344 1.00 3.21 H new ATOM 0 HG22 THR A 97 -16.602 14.145 -24.250 1.00 3.21 H new ATOM 0 HG23 THR A 97 -16.206 13.234 -22.773 1.00 3.21 H new ATOM 1547 N LYS A 98 -19.672 15.547 -24.339 1.00 31.51 N ATOM 1548 CA LYS A 98 -19.691 16.782 -25.115 1.00 22.52 C ATOM 1549 C LYS A 98 -19.687 18.000 -24.199 1.00 74.22 C ATOM 1550 O LYS A 98 -18.898 18.926 -24.387 1.00 41.03 O ATOM 1551 CB LYS A 98 -20.922 16.817 -26.023 1.00 15.31 C ATOM 1552 CG LYS A 98 -20.747 17.697 -27.249 1.00 61.12 C ATOM 1553 CD LYS A 98 -19.729 17.114 -28.214 1.00 30.21 C ATOM 1554 CE LYS A 98 -20.328 16.904 -29.597 1.00 33.31 C ATOM 1555 NZ LYS A 98 -20.171 18.109 -30.457 1.00 11.43 N1+ ATOM 0 H LYS A 98 -20.415 14.890 -24.575 1.00 31.51 H new ATOM 0 HA LYS A 98 -18.792 16.810 -25.730 1.00 22.52 H new ATOM 0 HB2 LYS A 98 -21.155 15.802 -26.345 1.00 15.31 H new ATOM 0 HB3 LYS A 98 -21.777 17.174 -25.449 1.00 15.31 H new ATOM 0 HG2 LYS A 98 -21.705 17.812 -27.755 1.00 61.12 H new ATOM 0 HG3 LYS A 98 -20.428 18.693 -26.941 1.00 61.12 H new ATOM 0 HD2 LYS A 98 -18.870 17.782 -28.286 1.00 30.21 H new ATOM 0 HD3 LYS A 98 -19.362 16.163 -27.827 1.00 30.21 H new ATOM 0 HE2 LYS A 98 -19.847 16.051 -30.076 1.00 33.31 H new ATOM 0 HE3 LYS A 98 -21.386 16.661 -29.502 1.00 33.31 H new ATOM 0 HZ1 LYS A 98 -20.592 17.926 -31.391 1.00 11.43 H new ATOM 0 HZ2 LYS A 98 -20.651 18.917 -30.013 1.00 11.43 H new ATOM 0 HZ3 LYS A 98 -19.160 18.326 -30.569 1.00 11.43 H new ATOM 1569 N GLU A 99 -20.572 17.992 -23.206 1.00 33.11 N ATOM 1570 CA GLU A 99 -20.668 19.098 -22.261 1.00 31.31 C ATOM 1571 C GLU A 99 -19.322 19.360 -21.590 1.00 51.04 C ATOM 1572 O GLU A 99 -18.883 20.504 -21.482 1.00 53.22 O ATOM 1573 CB GLU A 99 -21.730 18.801 -21.199 1.00 2.13 C ATOM 1574 CG GLU A 99 -23.128 19.245 -21.596 1.00 22.42 C ATOM 1575 CD GLU A 99 -24.072 19.327 -20.412 1.00 22.22 C ATOM 1576 OE1 GLU A 99 -23.612 19.106 -19.272 1.00 35.41 O ATOM 1577 OE2 GLU A 99 -25.268 19.611 -20.625 1.00 44.41 O1- ATOM 0 H GLU A 99 -21.232 17.233 -23.036 1.00 33.11 H new ATOM 0 HA GLU A 99 -20.958 19.991 -22.815 1.00 31.31 H new ATOM 0 HB2 GLU A 99 -21.741 17.730 -20.998 1.00 2.13 H new ATOM 0 HB3 GLU A 99 -21.451 19.297 -20.269 1.00 2.13 H new ATOM 0 HG2 GLU A 99 -23.072 20.220 -22.079 1.00 22.42 H new ATOM 0 HG3 GLU A 99 -23.532 18.548 -22.330 1.00 22.42 H new ATOM 1584 N ALA A 100 -18.674 18.290 -21.140 1.00 12.44 N ATOM 1585 CA ALA A 100 -17.379 18.403 -20.482 1.00 32.24 C ATOM 1586 C ALA A 100 -16.358 19.080 -21.390 1.00 54.43 C ATOM 1587 O ALA A 100 -15.477 19.803 -20.921 1.00 70.52 O ATOM 1588 CB ALA A 100 -16.881 17.029 -20.058 1.00 35.34 C ATOM 0 H ALA A 100 -19.025 17.336 -21.219 1.00 12.44 H new ATOM 0 HA ALA A 100 -17.504 19.023 -19.594 1.00 32.24 H new ATOM 0 HB1 ALA A 100 -15.913 17.128 -19.568 1.00 35.34 H new ATOM 0 HB2 ALA A 100 -17.594 16.581 -19.366 1.00 35.34 H new ATOM 0 HB3 ALA A 100 -16.779 16.392 -20.936 1.00 35.34 H new ATOM 1594 N LEU A 101 -16.482 18.845 -22.691 1.00 5.42 N ATOM 1595 CA LEU A 101 -15.570 19.433 -23.666 1.00 64.30 C ATOM 1596 C LEU A 101 -15.861 20.918 -23.858 1.00 23.55 C ATOM 1597 O LEU A 101 -14.975 21.691 -24.223 1.00 71.12 O ATOM 1598 CB LEU A 101 -15.683 18.702 -25.006 1.00 71.51 C ATOM 1599 CG LEU A 101 -15.313 17.218 -24.993 1.00 13.51 C ATOM 1600 CD1 LEU A 101 -15.525 16.605 -26.369 1.00 34.54 C ATOM 1601 CD2 LEU A 101 -13.872 17.032 -24.541 1.00 64.52 C ATOM 0 H LEU A 101 -17.206 18.251 -23.096 1.00 5.42 H new ATOM 0 HA LEU A 101 -14.554 19.327 -23.286 1.00 64.30 H new ATOM 0 HB2 LEU A 101 -16.708 18.797 -25.364 1.00 71.51 H new ATOM 0 HB3 LEU A 101 -15.044 19.209 -25.729 1.00 71.51 H new ATOM 0 HG LEU A 101 -15.964 16.706 -24.284 1.00 13.51 H new ATOM 0 HD11 LEU A 101 -15.257 15.549 -26.342 1.00 34.54 H new ATOM 0 HD12 LEU A 101 -16.572 16.707 -26.655 1.00 34.54 H new ATOM 0 HD13 LEU A 101 -14.898 17.120 -27.097 1.00 34.54 H new ATOM 0 HD21 LEU A 101 -13.626 15.970 -24.538 1.00 64.52 H new ATOM 0 HD22 LEU A 101 -13.205 17.557 -25.225 1.00 64.52 H new ATOM 0 HD23 LEU A 101 -13.751 17.436 -23.536 1.00 64.52 H new ATOM 1613 N ASP A 102 -17.105 21.308 -23.607 1.00 13.21 N ATOM 1614 CA ASP A 102 -17.512 22.702 -23.749 1.00 4.15 C ATOM 1615 C ASP A 102 -17.126 23.509 -22.514 1.00 65.12 C ATOM 1616 O ASP A 102 -16.680 24.652 -22.620 1.00 62.24 O ATOM 1617 CB ASP A 102 -19.021 22.793 -23.982 1.00 13.11 C ATOM 1618 CG ASP A 102 -19.454 24.173 -24.437 1.00 71.24 C ATOM 1619 OD1 ASP A 102 -18.994 25.167 -23.838 1.00 30.40 O ATOM 1620 OD2 ASP A 102 -20.253 24.259 -25.393 1.00 61.22 O1- ATOM 0 H ASP A 102 -17.849 20.680 -23.304 1.00 13.21 H new ATOM 0 HA ASP A 102 -16.993 23.121 -24.611 1.00 4.15 H new ATOM 0 HB2 ASP A 102 -19.315 22.058 -24.731 1.00 13.11 H new ATOM 0 HB3 ASP A 102 -19.544 22.536 -23.061 1.00 13.11 H new ATOM 1625 N LYS A 103 -17.300 22.908 -21.341 1.00 44.41 N ATOM 1626 CA LYS A 103 -16.970 23.569 -20.085 1.00 40.33 C ATOM 1627 C LYS A 103 -15.473 23.847 -19.993 1.00 63.51 C ATOM 1628 O LYS A 103 -15.058 24.954 -19.648 1.00 65.01 O ATOM 1629 CB LYS A 103 -17.414 22.708 -18.900 1.00 73.12 C ATOM 1630 CG LYS A 103 -18.411 23.400 -17.986 1.00 12.04 C ATOM 1631 CD LYS A 103 -19.772 23.536 -18.647 1.00 20.03 C ATOM 1632 CE LYS A 103 -20.769 24.232 -17.733 1.00 64.24 C ATOM 1633 NZ LYS A 103 -20.591 25.710 -17.741 1.00 63.44 N1+ ATOM 0 H LYS A 103 -17.668 21.963 -21.235 1.00 44.41 H new ATOM 0 HA LYS A 103 -17.501 24.521 -20.054 1.00 40.33 H new ATOM 0 HB2 LYS A 103 -17.858 21.787 -19.277 1.00 73.12 H new ATOM 0 HB3 LYS A 103 -16.537 22.424 -18.319 1.00 73.12 H new ATOM 0 HG2 LYS A 103 -18.510 22.834 -17.060 1.00 12.04 H new ATOM 0 HG3 LYS A 103 -18.035 24.387 -17.718 1.00 12.04 H new ATOM 0 HD2 LYS A 103 -19.672 24.100 -19.575 1.00 20.03 H new ATOM 0 HD3 LYS A 103 -20.149 22.548 -18.913 1.00 20.03 H new ATOM 0 HE2 LYS A 103 -21.783 23.987 -18.048 1.00 64.24 H new ATOM 0 HE3 LYS A 103 -20.652 23.858 -16.716 1.00 64.24 H new ATOM 0 HZ1 LYS A 103 -21.289 26.147 -17.106 1.00 63.44 H new ATOM 0 HZ2 LYS A 103 -19.632 25.946 -17.416 1.00 63.44 H new ATOM 0 HZ3 LYS A 103 -20.728 26.071 -18.707 1.00 63.44 H new ATOM 1647 N ILE A 104 -14.668 22.836 -20.304 1.00 51.51 N ATOM 1648 CA ILE A 104 -13.218 22.974 -20.259 1.00 1.02 C ATOM 1649 C ILE A 104 -12.725 23.950 -21.321 1.00 4.21 C ATOM 1650 O ILE A 104 -11.777 24.701 -21.096 1.00 71.03 O ATOM 1651 CB ILE A 104 -12.518 21.616 -20.460 1.00 51.04 C ATOM 1652 CG1 ILE A 104 -12.987 20.615 -19.402 1.00 34.13 C ATOM 1653 CG2 ILE A 104 -11.007 21.787 -20.403 1.00 43.50 C ATOM 1654 CD1 ILE A 104 -12.628 19.182 -19.727 1.00 70.32 C ATOM 0 H ILE A 104 -14.996 21.913 -20.590 1.00 51.51 H new ATOM 0 HA ILE A 104 -12.968 23.361 -19.271 1.00 1.02 H new ATOM 0 HB ILE A 104 -12.784 21.228 -21.443 1.00 51.04 H new ATOM 0 HG12 ILE A 104 -12.548 20.882 -18.441 1.00 34.13 H new ATOM 0 HG13 ILE A 104 -14.069 20.694 -19.292 1.00 34.13 H new ATOM 0 HG21 ILE A 104 -10.526 20.820 -20.547 1.00 43.50 H new ATOM 0 HG22 ILE A 104 -10.688 22.471 -21.189 1.00 43.50 H new ATOM 0 HG23 ILE A 104 -10.723 22.193 -19.432 1.00 43.50 H new ATOM 0 HD11 ILE A 104 -12.991 18.527 -18.935 1.00 70.32 H new ATOM 0 HD12 ILE A 104 -13.089 18.897 -20.673 1.00 70.32 H new ATOM 0 HD13 ILE A 104 -11.545 19.088 -19.808 1.00 70.32 H new ATOM 1666 N GLU A 105 -13.376 23.933 -22.481 1.00 72.14 N ATOM 1667 CA GLU A 105 -13.003 24.818 -23.578 1.00 22.33 C ATOM 1668 C GLU A 105 -13.274 26.275 -23.218 1.00 51.25 C ATOM 1669 O GLU A 105 -12.587 27.181 -23.689 1.00 23.53 O ATOM 1670 CB GLU A 105 -13.770 24.444 -24.848 1.00 63.25 C ATOM 1671 CG GLU A 105 -13.370 25.261 -26.064 1.00 24.23 C ATOM 1672 CD GLU A 105 -12.216 24.640 -26.829 1.00 54.41 C ATOM 1673 OE1 GLU A 105 -11.503 23.797 -26.247 1.00 10.31 O1- ATOM 1674 OE2 GLU A 105 -12.028 24.999 -28.011 1.00 73.43 O ATOM 0 H GLU A 105 -14.163 23.317 -22.684 1.00 72.14 H new ATOM 0 HA GLU A 105 -11.935 24.699 -23.759 1.00 22.33 H new ATOM 0 HB2 GLU A 105 -13.609 23.387 -25.062 1.00 63.25 H new ATOM 0 HB3 GLU A 105 -14.837 24.574 -24.669 1.00 63.25 H new ATOM 0 HG2 GLU A 105 -14.229 25.362 -26.728 1.00 24.23 H new ATOM 0 HG3 GLU A 105 -13.092 26.266 -25.747 1.00 24.23 H new