USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 90 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Set 2.1: A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 29 TYR OH : rot 166:sc= 1.08 USER MOD Set 3.2: A 97 THR OG1 : rot 45:sc= -0.065 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0904 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.301 K(o=-0.3,f=-2.2!) USER MOD Single : A 33 HIS : no HD1:sc= -3.04! C(o=-3!,f=-9.1!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.634 USER MOD Single : A 47 ASN : amide:sc= -0.0295 K(o=-0.029,f=-1.6!) USER MOD Single : A 53 THR OG1 : rot -15:sc= 0.857 USER MOD Single : A 54 SER OG : rot 180:sc= -0.0952 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.491 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.05 K(o=-0.05,f=-0.8) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0279 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.714 USER MOD Single : A 80 ASN : amide:sc= -3.55! C(o=-3.5!,f=-3.9!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -170:sc= -0.295 USER MOD Single : A 89 HIS : no HE2:sc= 0.0586 K(o=0.81,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+ 148:sc= 0.558 (180deg=0.0494) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 4.179 -5.929 -13.868 1.00 2.23 N ATOM 64 CA VAL A 7 3.103 -5.517 -14.760 1.00 35.43 C ATOM 65 C VAL A 7 2.130 -4.581 -14.054 1.00 4.31 C ATOM 66 O VAL A 7 1.710 -3.567 -14.612 1.00 75.34 O ATOM 67 CB VAL A 7 2.327 -6.732 -15.303 1.00 75.10 C ATOM 68 CG1 VAL A 7 1.267 -6.288 -16.300 1.00 22.52 C ATOM 69 CG2 VAL A 7 3.281 -7.733 -15.938 1.00 4.32 C ATOM 0 HA VAL A 7 3.568 -4.990 -15.593 1.00 35.43 H new ATOM 0 HB VAL A 7 1.824 -7.222 -14.469 1.00 75.10 H new ATOM 0 HG11 VAL A 7 0.730 -7.160 -16.672 1.00 22.52 H new ATOM 0 HG12 VAL A 7 0.566 -5.612 -15.809 1.00 22.52 H new ATOM 0 HG13 VAL A 7 1.745 -5.773 -17.134 1.00 22.52 H new ATOM 0 HG21 VAL A 7 2.716 -8.585 -16.316 1.00 4.32 H new ATOM 0 HG22 VAL A 7 3.813 -7.256 -16.761 1.00 4.32 H new ATOM 0 HG23 VAL A 7 3.998 -8.076 -15.192 1.00 4.32 H new ATOM 79 N LEU A 8 1.776 -4.927 -12.821 1.00 53.35 N ATOM 80 CA LEU A 8 0.852 -4.116 -12.035 1.00 12.42 C ATOM 81 C LEU A 8 1.549 -3.524 -10.815 1.00 42.43 C ATOM 82 O LEU A 8 2.229 -4.231 -10.073 1.00 43.43 O ATOM 83 CB LEU A 8 -0.347 -4.957 -11.594 1.00 3.44 C ATOM 84 CG LEU A 8 -1.243 -5.489 -12.713 1.00 33.04 C ATOM 85 CD1 LEU A 8 -2.428 -6.246 -12.134 1.00 40.45 C ATOM 86 CD2 LEU A 8 -1.718 -4.350 -13.603 1.00 62.31 C ATOM 0 H LEU A 8 2.114 -5.763 -12.344 1.00 53.35 H new ATOM 0 HA LEU A 8 0.502 -3.297 -12.663 1.00 12.42 H new ATOM 0 HB2 LEU A 8 0.022 -5.805 -11.018 1.00 3.44 H new ATOM 0 HB3 LEU A 8 -0.959 -4.356 -10.921 1.00 3.44 H new ATOM 0 HG LEU A 8 -0.660 -6.180 -13.322 1.00 33.04 H new ATOM 0 HD11 LEU A 8 -3.054 -6.617 -12.945 1.00 40.45 H new ATOM 0 HD12 LEU A 8 -2.068 -7.086 -11.540 1.00 40.45 H new ATOM 0 HD13 LEU A 8 -3.012 -5.578 -11.501 1.00 40.45 H new ATOM 0 HD21 LEU A 8 -2.354 -4.747 -14.394 1.00 62.31 H new ATOM 0 HD22 LEU A 8 -2.284 -3.634 -13.007 1.00 62.31 H new ATOM 0 HD23 LEU A 8 -0.856 -3.851 -14.047 1.00 62.31 H new ATOM 98 N SER A 9 1.372 -2.222 -10.613 1.00 22.31 N ATOM 99 CA SER A 9 1.986 -1.533 -9.484 1.00 2.52 C ATOM 100 C SER A 9 1.238 -1.840 -8.189 1.00 21.14 C ATOM 101 O SER A 9 0.335 -2.675 -8.163 1.00 34.34 O ATOM 102 CB SER A 9 2.006 -0.023 -9.729 1.00 2.52 C ATOM 103 OG SER A 9 0.821 0.587 -9.246 1.00 21.21 O ATOM 0 H SER A 9 0.808 -1.623 -11.217 1.00 22.31 H new ATOM 0 HA SER A 9 3.011 -1.891 -9.386 1.00 2.52 H new ATOM 0 HB2 SER A 9 2.873 0.417 -9.236 1.00 2.52 H new ATOM 0 HB3 SER A 9 2.112 0.174 -10.796 1.00 2.52 H new ATOM 0 HG SER A 9 0.858 1.552 -9.413 1.00 21.21 H new ATOM 109 N GLY A 10 1.623 -1.158 -7.114 1.00 31.21 N ATOM 110 CA GLY A 10 0.980 -1.370 -5.831 1.00 32.35 C ATOM 111 C GLY A 10 -0.515 -1.123 -5.883 1.00 20.41 C ATOM 112 O GLY A 10 -1.306 -1.967 -5.465 1.00 13.02 O ATOM 0 H GLY A 10 2.369 -0.462 -7.109 1.00 31.21 H new ATOM 0 HA2 GLY A 10 1.165 -2.392 -5.500 1.00 32.35 H new ATOM 0 HA3 GLY A 10 1.429 -0.709 -5.090 1.00 32.35 H new ATOM 116 N GLY A 11 -0.903 0.040 -6.398 1.00 24.45 N ATOM 117 CA GLY A 11 -2.311 0.376 -6.492 1.00 41.25 C ATOM 118 C GLY A 11 -3.072 -0.562 -7.408 1.00 65.35 C ATOM 119 O GLY A 11 -4.177 -0.994 -7.084 1.00 24.24 O ATOM 0 H GLY A 11 -0.267 0.755 -6.752 1.00 24.45 H new ATOM 0 HA2 GLY A 11 -2.755 0.347 -5.497 1.00 41.25 H new ATOM 0 HA3 GLY A 11 -2.414 1.398 -6.857 1.00 41.25 H new ATOM 123 N GLU A 12 -2.478 -0.876 -8.555 1.00 72.54 N ATOM 124 CA GLU A 12 -3.109 -1.766 -9.522 1.00 1.04 C ATOM 125 C GLU A 12 -3.251 -3.174 -8.952 1.00 22.34 C ATOM 126 O GLU A 12 -4.236 -3.866 -9.215 1.00 4.51 O ATOM 127 CB GLU A 12 -2.296 -1.807 -10.817 1.00 23.45 C ATOM 128 CG GLU A 12 -1.875 -0.435 -11.316 1.00 31.14 C ATOM 129 CD GLU A 12 -1.250 -0.483 -12.697 1.00 22.14 C ATOM 130 OE1 GLU A 12 -0.063 -0.860 -12.796 1.00 11.14 O ATOM 131 OE2 GLU A 12 -1.945 -0.143 -13.676 1.00 30.25 O ATOM 0 H GLU A 12 -1.562 -0.528 -8.837 1.00 72.54 H new ATOM 0 HA GLU A 12 -4.104 -1.378 -9.739 1.00 1.04 H new ATOM 0 HB2 GLU A 12 -1.406 -2.415 -10.658 1.00 23.45 H new ATOM 0 HB3 GLU A 12 -2.885 -2.300 -11.590 1.00 23.45 H new ATOM 0 HG2 GLU A 12 -2.744 0.222 -11.337 1.00 31.14 H new ATOM 0 HG3 GLU A 12 -1.164 0.000 -10.614 1.00 31.14 H new ATOM 138 N LEU A 13 -2.260 -3.593 -8.172 1.00 33.23 N ATOM 139 CA LEU A 13 -2.273 -4.920 -7.565 1.00 71.24 C ATOM 140 C LEU A 13 -3.490 -5.094 -6.664 1.00 42.43 C ATOM 141 O LEU A 13 -4.164 -6.123 -6.705 1.00 3.33 O ATOM 142 CB LEU A 13 -0.992 -5.145 -6.761 1.00 24.15 C ATOM 143 CG LEU A 13 -0.690 -6.593 -6.372 1.00 41.11 C ATOM 144 CD1 LEU A 13 -0.359 -7.419 -7.606 1.00 41.04 C ATOM 145 CD2 LEU A 13 0.453 -6.649 -5.368 1.00 53.12 C ATOM 0 H LEU A 13 -1.438 -3.033 -7.945 1.00 33.23 H new ATOM 0 HA LEU A 13 -2.328 -5.659 -8.364 1.00 71.24 H new ATOM 0 HB2 LEU A 13 -0.151 -4.762 -7.340 1.00 24.15 H new ATOM 0 HB3 LEU A 13 -1.049 -4.549 -5.850 1.00 24.15 H new ATOM 0 HG LEU A 13 -1.579 -7.016 -5.904 1.00 41.11 H new ATOM 0 HD11 LEU A 13 -0.147 -8.446 -7.310 1.00 41.04 H new ATOM 0 HD12 LEU A 13 -1.207 -7.406 -8.291 1.00 41.04 H new ATOM 0 HD13 LEU A 13 0.515 -6.997 -8.103 1.00 41.04 H new ATOM 0 HD21 LEU A 13 0.654 -7.687 -5.103 1.00 53.12 H new ATOM 0 HD22 LEU A 13 1.347 -6.208 -5.809 1.00 53.12 H new ATOM 0 HD23 LEU A 13 0.178 -6.092 -4.472 1.00 53.12 H new ATOM 157 N ASP A 14 -3.768 -4.080 -5.850 1.00 14.54 N ATOM 158 CA ASP A 14 -4.907 -4.120 -4.941 1.00 60.22 C ATOM 159 C ASP A 14 -6.201 -4.393 -5.701 1.00 43.10 C ATOM 160 O ASP A 14 -6.952 -5.307 -5.362 1.00 54.34 O ATOM 161 CB ASP A 14 -5.020 -2.801 -4.173 1.00 11.03 C ATOM 162 CG ASP A 14 -5.592 -2.988 -2.782 1.00 12.50 C ATOM 163 OD1 ASP A 14 -6.827 -3.131 -2.663 1.00 73.01 O ATOM 164 OD2 ASP A 14 -4.806 -2.992 -1.811 1.00 33.34 O ATOM 0 H ASP A 14 -3.220 -3.221 -5.802 1.00 14.54 H new ATOM 0 HA ASP A 14 -4.746 -4.932 -4.232 1.00 60.22 H new ATOM 0 HB2 ASP A 14 -4.034 -2.342 -4.099 1.00 11.03 H new ATOM 0 HB3 ASP A 14 -5.652 -2.111 -4.733 1.00 11.03 H new ATOM 169 N LYS A 15 -6.456 -3.592 -6.731 1.00 22.43 N ATOM 170 CA LYS A 15 -7.659 -3.746 -7.541 1.00 3.23 C ATOM 171 C LYS A 15 -7.643 -5.074 -8.291 1.00 44.00 C ATOM 172 O LYS A 15 -8.664 -5.754 -8.389 1.00 11.30 O ATOM 173 CB LYS A 15 -7.781 -2.589 -8.534 1.00 53.45 C ATOM 174 CG LYS A 15 -8.112 -1.258 -7.879 1.00 32.30 C ATOM 175 CD LYS A 15 -7.828 -0.092 -8.812 1.00 4.15 C ATOM 176 CE LYS A 15 -7.281 1.108 -8.053 1.00 35.25 C ATOM 177 NZ LYS A 15 -7.343 2.353 -8.867 1.00 35.13 N ATOM 0 H LYS A 15 -5.845 -2.830 -7.024 1.00 22.43 H new ATOM 0 HA LYS A 15 -8.521 -3.736 -6.873 1.00 3.23 H new ATOM 0 HB2 LYS A 15 -6.844 -2.492 -9.083 1.00 53.45 H new ATOM 0 HB3 LYS A 15 -8.554 -2.828 -9.264 1.00 53.45 H new ATOM 0 HG2 LYS A 15 -9.163 -1.245 -7.589 1.00 32.30 H new ATOM 0 HG3 LYS A 15 -7.528 -1.145 -6.966 1.00 32.30 H new ATOM 0 HD2 LYS A 15 -7.111 -0.400 -9.573 1.00 4.15 H new ATOM 0 HD3 LYS A 15 -8.743 0.191 -9.332 1.00 4.15 H new ATOM 0 HE2 LYS A 15 -7.850 1.246 -7.133 1.00 35.25 H new ATOM 0 HE3 LYS A 15 -6.248 0.915 -7.763 1.00 35.25 H new ATOM 0 HZ1 LYS A 15 -6.961 3.148 -8.315 1.00 35.13 H new ATOM 0 HZ2 LYS A 15 -6.780 2.230 -9.733 1.00 35.13 H new ATOM 0 HZ3 LYS A 15 -8.331 2.552 -9.123 1.00 35.13 H new ATOM 191 N TRP A 16 -6.479 -5.438 -8.816 1.00 62.21 N ATOM 192 CA TRP A 16 -6.331 -6.686 -9.557 1.00 2.10 C ATOM 193 C TRP A 16 -6.813 -7.871 -8.727 1.00 32.21 C ATOM 194 O TRP A 16 -7.651 -8.653 -9.175 1.00 72.52 O ATOM 195 CB TRP A 16 -4.871 -6.892 -9.962 1.00 60.52 C ATOM 196 CG TRP A 16 -4.625 -8.200 -10.651 1.00 21.43 C ATOM 197 CD1 TRP A 16 -4.140 -9.345 -10.087 1.00 1.33 C ATOM 198 CD2 TRP A 16 -4.851 -8.496 -12.034 1.00 22.42 C ATOM 199 NE1 TRP A 16 -4.050 -10.335 -11.035 1.00 31.24 N ATOM 200 CE2 TRP A 16 -4.481 -9.841 -12.237 1.00 72.35 C ATOM 201 CE3 TRP A 16 -5.331 -7.757 -13.119 1.00 10.14 C ATOM 202 CZ2 TRP A 16 -4.577 -10.457 -13.482 1.00 24.42 C ATOM 203 CZ3 TRP A 16 -5.424 -8.371 -14.353 1.00 2.32 C ATOM 204 CH2 TRP A 16 -5.049 -9.711 -14.527 1.00 40.23 C ATOM 0 H TRP A 16 -5.624 -4.887 -8.743 1.00 62.21 H new ATOM 0 HA TRP A 16 -6.944 -6.622 -10.456 1.00 2.10 H new ATOM 0 HB2 TRP A 16 -4.566 -6.079 -10.621 1.00 60.52 H new ATOM 0 HB3 TRP A 16 -4.243 -6.834 -9.073 1.00 60.52 H new ATOM 0 HD1 TRP A 16 -3.867 -9.456 -9.048 1.00 1.33 H new ATOM 0 HE1 TRP A 16 -3.716 -11.285 -10.870 1.00 31.24 H new ATOM 0 HE3 TRP A 16 -5.624 -6.725 -12.995 1.00 10.14 H new ATOM 0 HZ2 TRP A 16 -4.289 -11.489 -13.618 1.00 24.42 H new ATOM 0 HZ3 TRP A 16 -5.792 -7.809 -15.199 1.00 2.32 H new ATOM 0 HH2 TRP A 16 -5.134 -10.163 -15.504 1.00 40.23 H new ATOM 215 N GLU A 17 -6.280 -7.997 -7.516 1.00 25.30 N ATOM 216 CA GLU A 17 -6.657 -9.089 -6.626 1.00 64.45 C ATOM 217 C GLU A 17 -8.157 -9.070 -6.349 1.00 13.50 C ATOM 218 O GLU A 17 -8.756 -10.101 -6.039 1.00 1.12 O ATOM 219 CB GLU A 17 -5.884 -8.992 -5.309 1.00 25.33 C ATOM 220 CG GLU A 17 -4.434 -9.437 -5.421 1.00 51.41 C ATOM 221 CD GLU A 17 -3.802 -9.708 -4.069 1.00 72.43 C ATOM 222 OE1 GLU A 17 -4.172 -10.715 -3.431 1.00 72.34 O ATOM 223 OE2 GLU A 17 -2.935 -8.911 -3.650 1.00 13.03 O ATOM 0 H GLU A 17 -5.586 -7.357 -7.129 1.00 25.30 H new ATOM 0 HA GLU A 17 -6.407 -10.029 -7.118 1.00 64.45 H new ATOM 0 HB2 GLU A 17 -5.913 -7.961 -4.955 1.00 25.33 H new ATOM 0 HB3 GLU A 17 -6.385 -9.601 -4.557 1.00 25.33 H new ATOM 0 HG2 GLU A 17 -4.381 -10.339 -6.031 1.00 51.41 H new ATOM 0 HG3 GLU A 17 -3.861 -8.668 -5.939 1.00 51.41 H new ATOM 230 N LYS A 18 -8.761 -7.892 -6.462 1.00 22.51 N ATOM 231 CA LYS A 18 -10.191 -7.738 -6.225 1.00 61.43 C ATOM 232 C LYS A 18 -10.998 -8.253 -7.412 1.00 31.30 C ATOM 233 O LYS A 18 -11.934 -9.034 -7.244 1.00 14.21 O ATOM 234 CB LYS A 18 -10.529 -6.268 -5.964 1.00 55.34 C ATOM 235 CG LYS A 18 -10.816 -5.959 -4.505 1.00 10.41 C ATOM 236 CD LYS A 18 -12.204 -6.427 -4.098 1.00 20.33 C ATOM 237 CE LYS A 18 -12.351 -6.489 -2.585 1.00 74.40 C ATOM 238 NZ LYS A 18 -13.394 -5.549 -2.092 1.00 44.02 N ATOM 0 H LYS A 18 -8.281 -7.029 -6.717 1.00 22.51 H new ATOM 0 HA LYS A 18 -10.454 -8.327 -5.347 1.00 61.43 H new ATOM 0 HB2 LYS A 18 -9.699 -5.648 -6.301 1.00 55.34 H new ATOM 0 HB3 LYS A 18 -11.397 -5.992 -6.563 1.00 55.34 H new ATOM 0 HG2 LYS A 18 -10.069 -6.443 -3.876 1.00 10.41 H new ATOM 0 HG3 LYS A 18 -10.729 -4.886 -4.335 1.00 10.41 H new ATOM 0 HD2 LYS A 18 -12.952 -5.750 -4.510 1.00 20.33 H new ATOM 0 HD3 LYS A 18 -12.396 -7.412 -4.524 1.00 20.33 H new ATOM 0 HE2 LYS A 18 -12.607 -7.505 -2.286 1.00 74.40 H new ATOM 0 HE3 LYS A 18 -11.396 -6.250 -2.117 1.00 74.40 H new ATOM 0 HZ1 LYS A 18 -13.464 -5.620 -1.057 1.00 44.02 H new ATOM 0 HZ2 LYS A 18 -13.137 -4.576 -2.355 1.00 44.02 H new ATOM 0 HZ3 LYS A 18 -14.311 -5.792 -2.519 1.00 44.02 H new ATOM 252 N ILE A 19 -10.626 -7.813 -8.610 1.00 44.40 N ATOM 253 CA ILE A 19 -11.315 -8.233 -9.824 1.00 23.02 C ATOM 254 C ILE A 19 -11.418 -9.753 -9.900 1.00 5.11 C ATOM 255 O ILE A 19 -10.473 -10.467 -9.562 1.00 54.22 O ATOM 256 CB ILE A 19 -10.598 -7.715 -11.085 1.00 44.44 C ATOM 257 CG1 ILE A 19 -10.508 -6.189 -11.055 1.00 73.44 C ATOM 258 CG2 ILE A 19 -11.324 -8.184 -12.337 1.00 42.33 C ATOM 259 CD1 ILE A 19 -9.144 -5.657 -11.437 1.00 44.13 C ATOM 0 H ILE A 19 -9.852 -7.167 -8.765 1.00 44.40 H new ATOM 0 HA ILE A 19 -12.317 -7.805 -9.783 1.00 23.02 H new ATOM 0 HB ILE A 19 -9.586 -8.120 -11.103 1.00 44.44 H new ATOM 0 HG12 ILE A 19 -11.254 -5.776 -11.734 1.00 73.44 H new ATOM 0 HG13 ILE A 19 -10.759 -5.838 -10.054 1.00 73.44 H new ATOM 0 HG21 ILE A 19 -10.806 -7.810 -13.220 1.00 42.33 H new ATOM 0 HG22 ILE A 19 -11.342 -9.274 -12.361 1.00 42.33 H new ATOM 0 HG23 ILE A 19 -12.346 -7.805 -12.329 1.00 42.33 H new ATOM 0 HD11 ILE A 19 -9.153 -4.568 -11.394 1.00 44.13 H new ATOM 0 HD12 ILE A 19 -8.396 -6.041 -10.743 1.00 44.13 H new ATOM 0 HD13 ILE A 19 -8.899 -5.978 -12.449 1.00 44.13 H new ATOM 271 N ARG A 20 -12.570 -10.241 -10.346 1.00 35.23 N ATOM 272 CA ARG A 20 -12.796 -11.676 -10.467 1.00 13.31 C ATOM 273 C ARG A 20 -12.739 -12.115 -11.928 1.00 73.54 C ATOM 274 O ARG A 20 -13.063 -11.343 -12.832 1.00 1.22 O ATOM 275 CB ARG A 20 -14.151 -12.053 -9.864 1.00 12.21 C ATOM 276 CG ARG A 20 -14.158 -12.068 -8.344 1.00 2.01 C ATOM 277 CD ARG A 20 -14.732 -10.778 -7.777 1.00 11.54 C ATOM 278 NE ARG A 20 -16.115 -10.943 -7.337 1.00 31.13 N ATOM 279 CZ ARG A 20 -16.467 -11.649 -6.268 1.00 72.32 C ATOM 280 NH1 ARG A 20 -15.542 -12.251 -5.534 1.00 52.52 N ATOM 281 NH2 ARG A 20 -17.747 -11.751 -5.931 1.00 31.15 N ATOM 0 H ARG A 20 -13.362 -9.664 -10.630 1.00 35.23 H new ATOM 0 HA ARG A 20 -12.006 -12.190 -9.920 1.00 13.31 H new ATOM 0 HB2 ARG A 20 -14.904 -11.348 -10.215 1.00 12.21 H new ATOM 0 HB3 ARG A 20 -14.441 -13.038 -10.230 1.00 12.21 H new ATOM 0 HG2 ARG A 20 -14.745 -12.915 -7.990 1.00 2.01 H new ATOM 0 HG3 ARG A 20 -13.142 -12.208 -7.976 1.00 2.01 H new ATOM 0 HD2 ARG A 20 -14.121 -10.447 -6.937 1.00 11.54 H new ATOM 0 HD3 ARG A 20 -14.683 -9.995 -8.534 1.00 11.54 H new ATOM 0 HE ARG A 20 -16.851 -10.491 -7.880 1.00 31.13 H new ATOM 0 HH11 ARG A 20 -14.558 -12.173 -5.789 1.00 52.52 H new ATOM 0 HH12 ARG A 20 -15.815 -12.792 -4.714 1.00 52.52 H new ATOM 0 HH21 ARG A 20 -18.461 -11.287 -6.493 1.00 31.15 H new ATOM 0 HH22 ARG A 20 -18.017 -12.293 -5.110 1.00 31.15 H new ATOM 295 N LEU A 21 -12.325 -13.356 -12.152 1.00 43.11 N ATOM 296 CA LEU A 21 -12.223 -13.898 -13.503 1.00 40.41 C ATOM 297 C LEU A 21 -13.592 -13.937 -14.177 1.00 61.50 C ATOM 298 O LEU A 21 -13.693 -13.853 -15.401 1.00 21.24 O ATOM 299 CB LEU A 21 -11.620 -15.303 -13.466 1.00 72.14 C ATOM 300 CG LEU A 21 -10.338 -15.461 -12.650 1.00 5.03 C ATOM 301 CD1 LEU A 21 -10.206 -16.886 -12.134 1.00 21.04 C ATOM 302 CD2 LEU A 21 -9.123 -15.080 -13.484 1.00 1.22 C ATOM 0 H LEU A 21 -12.054 -14.007 -11.415 1.00 43.11 H new ATOM 0 HA LEU A 21 -11.570 -13.245 -14.083 1.00 40.41 H new ATOM 0 HB2 LEU A 21 -12.368 -15.987 -13.066 1.00 72.14 H new ATOM 0 HB3 LEU A 21 -11.416 -15.616 -14.490 1.00 72.14 H new ATOM 0 HG LEU A 21 -10.391 -14.789 -11.794 1.00 5.03 H new ATOM 0 HD11 LEU A 21 -9.287 -16.980 -11.555 1.00 21.04 H new ATOM 0 HD12 LEU A 21 -11.060 -17.124 -11.500 1.00 21.04 H new ATOM 0 HD13 LEU A 21 -10.176 -17.577 -12.977 1.00 21.04 H new ATOM 0 HD21 LEU A 21 -8.219 -15.199 -12.886 1.00 1.22 H new ATOM 0 HD22 LEU A 21 -9.066 -15.726 -14.360 1.00 1.22 H new ATOM 0 HD23 LEU A 21 -9.212 -14.042 -13.804 1.00 1.22 H new ATOM 314 N ARG A 22 -14.639 -14.062 -13.370 1.00 52.52 N ATOM 315 CA ARG A 22 -16.002 -14.110 -13.889 1.00 23.32 C ATOM 316 C ARG A 22 -16.961 -13.365 -12.966 1.00 15.43 C ATOM 317 O ARG A 22 -16.681 -13.139 -11.790 1.00 64.34 O ATOM 318 CB ARG A 22 -16.457 -15.562 -14.051 1.00 34.40 C ATOM 319 CG ARG A 22 -16.146 -16.147 -15.420 1.00 54.44 C ATOM 320 CD ARG A 22 -16.127 -17.668 -15.384 1.00 45.03 C ATOM 321 NE ARG A 22 -17.411 -18.221 -14.960 1.00 21.24 N ATOM 322 CZ ARG A 22 -18.497 -18.225 -15.724 1.00 54.35 C ATOM 323 NH1 ARG A 22 -18.456 -17.708 -16.945 1.00 60.11 N ATOM 324 NH2 ARG A 22 -19.628 -18.748 -15.269 1.00 50.05 N ATOM 0 H ARG A 22 -14.571 -14.132 -12.355 1.00 52.52 H new ATOM 0 HA ARG A 22 -16.011 -13.622 -14.864 1.00 23.32 H new ATOM 0 HB2 ARG A 22 -15.976 -16.172 -13.286 1.00 34.40 H new ATOM 0 HB3 ARG A 22 -17.531 -15.619 -13.876 1.00 34.40 H new ATOM 0 HG2 ARG A 22 -16.891 -15.808 -16.140 1.00 54.44 H new ATOM 0 HG3 ARG A 22 -15.180 -15.778 -15.764 1.00 54.44 H new ATOM 0 HD2 ARG A 22 -15.876 -18.051 -16.373 1.00 45.03 H new ATOM 0 HD3 ARG A 22 -15.345 -18.005 -14.704 1.00 45.03 H new ATOM 0 HE ARG A 22 -17.477 -18.626 -14.026 1.00 21.24 H new ATOM 0 HH11 ARG A 22 -17.588 -17.306 -17.300 1.00 60.11 H new ATOM 0 HH12 ARG A 22 -19.292 -17.713 -17.529 1.00 60.11 H new ATOM 0 HH21 ARG A 22 -19.664 -19.148 -14.331 1.00 50.05 H new ATOM 0 HH22 ARG A 22 -20.462 -18.750 -15.857 1.00 50.05 H new ATOM 338 N PRO A 23 -18.124 -12.975 -13.512 1.00 63.13 N ATOM 339 CA PRO A 23 -19.149 -12.249 -12.756 1.00 1.03 C ATOM 340 C PRO A 23 -19.823 -13.126 -11.706 1.00 13.01 C ATOM 341 O PRO A 23 -20.110 -12.676 -10.597 1.00 30.43 O ATOM 342 CB PRO A 23 -20.154 -11.833 -13.831 1.00 54.41 C ATOM 343 CG PRO A 23 -19.981 -12.834 -14.921 1.00 4.13 C ATOM 344 CD PRO A 23 -18.525 -13.211 -14.908 1.00 12.43 C ATOM 0 HA PRO A 23 -18.729 -11.411 -12.199 1.00 1.03 H new ATOM 0 HB2 PRO A 23 -21.173 -11.841 -13.444 1.00 54.41 H new ATOM 0 HB3 PRO A 23 -19.956 -10.822 -14.187 1.00 54.41 H new ATOM 0 HG2 PRO A 23 -20.612 -13.707 -14.753 1.00 4.13 H new ATOM 0 HG3 PRO A 23 -20.267 -12.414 -15.885 1.00 4.13 H new ATOM 0 HD2 PRO A 23 -18.377 -14.251 -15.198 1.00 12.43 H new ATOM 0 HD3 PRO A 23 -17.946 -12.601 -15.601 1.00 12.43 H new ATOM 352 N GLY A 24 -20.076 -14.382 -12.064 1.00 51.01 N ATOM 353 CA GLY A 24 -20.715 -15.302 -11.141 1.00 1.33 C ATOM 354 C GLY A 24 -19.789 -16.418 -10.701 1.00 62.21 C ATOM 355 O GLY A 24 -20.089 -17.596 -10.892 1.00 72.30 O ATOM 0 H GLY A 24 -19.850 -14.778 -12.976 1.00 51.01 H new ATOM 0 HA2 GLY A 24 -21.059 -14.752 -10.265 1.00 1.33 H new ATOM 0 HA3 GLY A 24 -21.598 -15.732 -11.614 1.00 1.33 H new ATOM 359 N GLY A 25 -18.657 -16.047 -10.109 1.00 30.11 N ATOM 360 CA GLY A 25 -17.700 -17.038 -9.651 1.00 2.02 C ATOM 361 C GLY A 25 -17.214 -16.766 -8.241 1.00 53.24 C ATOM 362 O GLY A 25 -17.729 -15.879 -7.558 1.00 32.21 O ATOM 0 H GLY A 25 -18.386 -15.079 -9.939 1.00 30.11 H new ATOM 0 HA2 GLY A 25 -18.158 -18.026 -9.690 1.00 2.02 H new ATOM 0 HA3 GLY A 25 -16.847 -17.055 -10.329 1.00 2.02 H new ATOM 366 N LYS A 26 -16.222 -17.532 -7.800 1.00 75.14 N ATOM 367 CA LYS A 26 -15.666 -17.371 -6.462 1.00 55.54 C ATOM 368 C LYS A 26 -14.144 -17.451 -6.492 1.00 13.04 C ATOM 369 O LYS A 26 -13.512 -17.819 -5.502 1.00 23.31 O ATOM 370 CB LYS A 26 -16.226 -18.442 -5.523 1.00 62.51 C ATOM 371 CG LYS A 26 -17.675 -18.211 -5.131 1.00 61.30 C ATOM 372 CD LYS A 26 -18.623 -19.035 -5.986 1.00 20.31 C ATOM 373 CE LYS A 26 -18.682 -20.480 -5.517 1.00 14.41 C ATOM 374 NZ LYS A 26 -19.902 -21.174 -6.013 1.00 51.54 N ATOM 0 H LYS A 26 -15.786 -18.272 -8.351 1.00 75.14 H new ATOM 0 HA LYS A 26 -15.953 -16.386 -6.092 1.00 55.54 H new ATOM 0 HB2 LYS A 26 -16.140 -19.416 -6.004 1.00 62.51 H new ATOM 0 HB3 LYS A 26 -15.616 -18.477 -4.621 1.00 62.51 H new ATOM 0 HG2 LYS A 26 -17.814 -18.468 -4.081 1.00 61.30 H new ATOM 0 HG3 LYS A 26 -17.917 -17.153 -5.235 1.00 61.30 H new ATOM 0 HD2 LYS A 26 -19.621 -18.598 -5.949 1.00 20.31 H new ATOM 0 HD3 LYS A 26 -18.299 -19.002 -7.026 1.00 20.31 H new ATOM 0 HE2 LYS A 26 -17.796 -21.011 -5.864 1.00 14.41 H new ATOM 0 HE3 LYS A 26 -18.665 -20.509 -4.428 1.00 14.41 H new ATOM 0 HZ1 LYS A 26 -19.905 -22.156 -5.672 1.00 51.54 H new ATOM 0 HZ2 LYS A 26 -20.748 -20.682 -5.661 1.00 51.54 H new ATOM 0 HZ3 LYS A 26 -19.906 -21.169 -7.053 1.00 51.54 H new ATOM 388 N LYS A 27 -13.560 -17.103 -7.634 1.00 31.42 N ATOM 389 CA LYS A 27 -12.110 -17.133 -7.793 1.00 15.22 C ATOM 390 C LYS A 27 -11.590 -15.788 -8.290 1.00 35.02 C ATOM 391 O LYS A 27 -11.592 -15.518 -9.491 1.00 61.20 O ATOM 392 CB LYS A 27 -11.707 -18.241 -8.769 1.00 64.12 C ATOM 393 CG LYS A 27 -10.276 -18.718 -8.588 1.00 2.32 C ATOM 394 CD LYS A 27 -10.049 -20.065 -9.255 1.00 73.45 C ATOM 395 CE LYS A 27 -8.795 -20.055 -10.116 1.00 52.23 C ATOM 396 NZ LYS A 27 -8.218 -21.420 -10.272 1.00 53.53 N ATOM 0 H LYS A 27 -14.069 -16.797 -8.463 1.00 31.42 H new ATOM 0 HA LYS A 27 -11.666 -17.336 -6.819 1.00 15.22 H new ATOM 0 HB2 LYS A 27 -12.382 -19.088 -8.644 1.00 64.12 H new ATOM 0 HB3 LYS A 27 -11.835 -17.879 -9.789 1.00 64.12 H new ATOM 0 HG2 LYS A 27 -9.590 -17.982 -9.009 1.00 2.32 H new ATOM 0 HG3 LYS A 27 -10.049 -18.794 -7.525 1.00 2.32 H new ATOM 0 HD2 LYS A 27 -9.963 -20.840 -8.493 1.00 73.45 H new ATOM 0 HD3 LYS A 27 -10.912 -20.318 -9.870 1.00 73.45 H new ATOM 0 HE2 LYS A 27 -9.032 -19.647 -11.098 1.00 52.23 H new ATOM 0 HE3 LYS A 27 -8.052 -19.396 -9.668 1.00 52.23 H new ATOM 0 HZ1 LYS A 27 -7.365 -21.371 -10.865 1.00 53.53 H new ATOM 0 HZ2 LYS A 27 -7.968 -21.800 -9.337 1.00 53.53 H new ATOM 0 HZ3 LYS A 27 -8.918 -22.043 -10.723 1.00 53.53 H new ATOM 410 N GLN A 28 -11.144 -14.951 -7.360 1.00 43.14 N ATOM 411 CA GLN A 28 -10.620 -13.635 -7.706 1.00 51.30 C ATOM 412 C GLN A 28 -9.367 -13.756 -8.565 1.00 34.23 C ATOM 413 O GLN A 28 -8.880 -14.859 -8.819 1.00 2.23 O ATOM 414 CB GLN A 28 -10.308 -12.838 -6.438 1.00 44.01 C ATOM 415 CG GLN A 28 -11.409 -12.902 -5.392 1.00 3.03 C ATOM 416 CD GLN A 28 -11.138 -13.942 -4.322 1.00 35.22 C ATOM 417 OE1 GLN A 28 -11.658 -15.056 -4.377 1.00 13.02 O ATOM 418 NE2 GLN A 28 -10.319 -13.583 -3.341 1.00 4.21 N ATOM 0 H GLN A 28 -11.135 -15.160 -6.362 1.00 43.14 H new ATOM 0 HA GLN A 28 -11.382 -13.108 -8.280 1.00 51.30 H new ATOM 0 HB2 GLN A 28 -9.382 -13.213 -6.002 1.00 44.01 H new ATOM 0 HB3 GLN A 28 -10.134 -11.796 -6.707 1.00 44.01 H new ATOM 0 HG2 GLN A 28 -11.517 -11.924 -4.923 1.00 3.03 H new ATOM 0 HG3 GLN A 28 -12.357 -13.128 -5.881 1.00 3.03 H new ATOM 0 HE21 GLN A 28 -9.910 -12.649 -3.335 1.00 4.21 H new ATOM 0 HE22 GLN A 28 -10.099 -14.241 -2.594 1.00 4.21 H new ATOM 427 N TYR A 29 -8.849 -12.618 -9.011 1.00 31.23 N ATOM 428 CA TYR A 29 -7.652 -12.597 -9.846 1.00 51.43 C ATOM 429 C TYR A 29 -6.391 -12.674 -8.992 1.00 62.51 C ATOM 430 O TYR A 29 -6.363 -12.192 -7.859 1.00 31.15 O ATOM 431 CB TYR A 29 -7.625 -11.331 -10.704 1.00 43.30 C ATOM 432 CG TYR A 29 -8.093 -11.551 -12.124 1.00 23.55 C ATOM 433 CD1 TYR A 29 -7.261 -12.147 -13.064 1.00 32.24 C ATOM 434 CD2 TYR A 29 -9.365 -11.164 -12.527 1.00 24.42 C ATOM 435 CE1 TYR A 29 -7.683 -12.351 -14.365 1.00 3.04 C ATOM 436 CE2 TYR A 29 -9.795 -11.364 -13.824 1.00 11.21 C ATOM 437 CZ TYR A 29 -8.951 -11.958 -14.739 1.00 32.11 C ATOM 438 OH TYR A 29 -9.376 -12.158 -16.033 1.00 4.55 O ATOM 0 H TYR A 29 -9.238 -11.697 -8.809 1.00 31.23 H new ATOM 0 HA TYR A 29 -7.680 -13.469 -10.499 1.00 51.43 H new ATOM 0 HB2 TYR A 29 -8.253 -10.572 -10.237 1.00 43.30 H new ATOM 0 HB3 TYR A 29 -6.609 -10.936 -10.722 1.00 43.30 H new ATOM 0 HD1 TYR A 29 -6.268 -12.456 -12.774 1.00 32.24 H new ATOM 0 HD2 TYR A 29 -10.029 -10.699 -11.814 1.00 24.42 H new ATOM 0 HE1 TYR A 29 -7.024 -12.815 -15.084 1.00 3.04 H new ATOM 0 HE2 TYR A 29 -10.787 -11.057 -14.120 1.00 11.21 H new ATOM 0 HH TYR A 29 -10.347 -12.036 -16.081 1.00 4.55 H new ATOM 448 N LYS A 30 -5.347 -13.282 -9.544 1.00 63.10 N ATOM 449 CA LYS A 30 -4.079 -13.422 -8.835 1.00 53.14 C ATOM 450 C LYS A 30 -2.904 -13.343 -9.804 1.00 62.13 C ATOM 451 O LYS A 30 -3.078 -13.454 -11.019 1.00 44.44 O ATOM 452 CB LYS A 30 -4.040 -14.749 -8.076 1.00 4.14 C ATOM 453 CG LYS A 30 -3.578 -14.612 -6.635 1.00 34.55 C ATOM 454 CD LYS A 30 -3.706 -15.926 -5.882 1.00 41.42 C ATOM 455 CE LYS A 30 -2.342 -16.518 -5.558 1.00 54.31 C ATOM 456 NZ LYS A 30 -2.396 -17.417 -4.373 1.00 3.31 N ATOM 0 H LYS A 30 -5.353 -13.686 -10.480 1.00 63.10 H new ATOM 0 HA LYS A 30 -3.996 -12.601 -8.123 1.00 53.14 H new ATOM 0 HB2 LYS A 30 -5.035 -15.195 -8.089 1.00 4.14 H new ATOM 0 HB3 LYS A 30 -3.375 -15.437 -8.598 1.00 4.14 H new ATOM 0 HG2 LYS A 30 -2.540 -14.279 -6.615 1.00 34.55 H new ATOM 0 HG3 LYS A 30 -4.169 -13.845 -6.134 1.00 34.55 H new ATOM 0 HD2 LYS A 30 -4.262 -15.765 -4.959 1.00 41.42 H new ATOM 0 HD3 LYS A 30 -4.279 -16.635 -6.480 1.00 41.42 H new ATOM 0 HE2 LYS A 30 -1.974 -17.075 -6.420 1.00 54.31 H new ATOM 0 HE3 LYS A 30 -1.632 -15.713 -5.371 1.00 54.31 H new ATOM 0 HZ1 LYS A 30 -1.448 -17.800 -4.185 1.00 3.31 H new ATOM 0 HZ2 LYS A 30 -2.723 -16.880 -3.545 1.00 3.31 H new ATOM 0 HZ3 LYS A 30 -3.055 -18.200 -4.561 1.00 3.31 H new ATOM 470 N LEU A 31 -1.707 -13.151 -9.260 1.00 32.04 N ATOM 471 CA LEU A 31 -0.502 -13.059 -10.076 1.00 25.42 C ATOM 472 C LEU A 31 -0.392 -14.250 -11.022 1.00 1.32 C ATOM 473 O LEU A 31 0.166 -14.141 -12.114 1.00 34.31 O ATOM 474 CB LEU A 31 0.739 -12.986 -9.183 1.00 11.50 C ATOM 475 CG LEU A 31 0.737 -11.887 -8.120 1.00 15.12 C ATOM 476 CD1 LEU A 31 1.386 -12.383 -6.838 1.00 44.41 C ATOM 477 CD2 LEU A 31 1.451 -10.646 -8.637 1.00 44.51 C ATOM 0 H LEU A 31 -1.545 -13.056 -8.257 1.00 32.04 H new ATOM 0 HA LEU A 31 -0.567 -12.149 -10.673 1.00 25.42 H new ATOM 0 HB2 LEU A 31 0.859 -13.947 -8.683 1.00 11.50 H new ATOM 0 HB3 LEU A 31 1.613 -12.846 -9.820 1.00 11.50 H new ATOM 0 HG LEU A 31 -0.297 -11.622 -7.899 1.00 15.12 H new ATOM 0 HD11 LEU A 31 1.375 -11.587 -6.093 1.00 44.41 H new ATOM 0 HD12 LEU A 31 0.833 -13.242 -6.459 1.00 44.41 H new ATOM 0 HD13 LEU A 31 2.416 -12.676 -7.041 1.00 44.41 H new ATOM 0 HD21 LEU A 31 1.441 -9.873 -7.868 1.00 44.51 H new ATOM 0 HD22 LEU A 31 2.482 -10.897 -8.886 1.00 44.51 H new ATOM 0 HD23 LEU A 31 0.942 -10.278 -9.528 1.00 44.51 H new ATOM 489 N LYS A 32 -0.930 -15.389 -10.597 1.00 5.13 N ATOM 490 CA LYS A 32 -0.896 -16.601 -11.406 1.00 70.01 C ATOM 491 C LYS A 32 -1.430 -16.333 -12.810 1.00 4.55 C ATOM 492 O LYS A 32 -0.920 -16.872 -13.792 1.00 3.24 O ATOM 493 CB LYS A 32 -1.716 -17.708 -10.738 1.00 53.14 C ATOM 494 CG LYS A 32 -0.903 -18.942 -10.390 1.00 13.20 C ATOM 495 CD LYS A 32 -1.323 -19.528 -9.053 1.00 54.25 C ATOM 496 CE LYS A 32 -0.467 -18.990 -7.916 1.00 13.43 C ATOM 497 NZ LYS A 32 -0.875 -19.556 -6.599 1.00 55.11 N ATOM 0 H LYS A 32 -1.395 -15.497 -9.696 1.00 5.13 H new ATOM 0 HA LYS A 32 0.141 -16.925 -11.487 1.00 70.01 H new ATOM 0 HB2 LYS A 32 -2.170 -17.314 -9.829 1.00 53.14 H new ATOM 0 HB3 LYS A 32 -2.531 -17.996 -11.402 1.00 53.14 H new ATOM 0 HG2 LYS A 32 -1.026 -19.692 -11.172 1.00 13.20 H new ATOM 0 HG3 LYS A 32 0.156 -18.684 -10.359 1.00 13.20 H new ATOM 0 HD2 LYS A 32 -2.370 -19.293 -8.864 1.00 54.25 H new ATOM 0 HD3 LYS A 32 -1.242 -20.614 -9.089 1.00 54.25 H new ATOM 0 HE2 LYS A 32 0.580 -19.228 -8.105 1.00 13.43 H new ATOM 0 HE3 LYS A 32 -0.546 -17.903 -7.885 1.00 13.43 H new ATOM 0 HZ1 LYS A 32 -0.268 -19.165 -5.850 1.00 55.11 H new ATOM 0 HZ2 LYS A 32 -1.866 -19.307 -6.406 1.00 55.11 H new ATOM 0 HZ3 LYS A 32 -0.776 -20.591 -6.620 1.00 55.11 H new ATOM 511 N HIS A 33 -2.459 -15.497 -12.897 1.00 45.35 N ATOM 512 CA HIS A 33 -3.062 -15.155 -14.180 1.00 14.44 C ATOM 513 C HIS A 33 -2.195 -14.154 -14.937 1.00 33.52 C ATOM 514 O HIS A 33 -2.155 -14.255 -16.164 1.00 62.13 O ATOM 515 CB HIS A 33 -4.463 -14.579 -13.974 1.00 64.03 C ATOM 516 CG HIS A 33 -5.305 -15.378 -13.026 1.00 52.32 C ATOM 517 ND1 HIS A 33 -5.999 -14.813 -11.977 1.00 53.23 N ATOM 518 CD2 HIS A 33 -5.564 -16.705 -12.975 1.00 24.30 C ATOM 519 CE1 HIS A 33 -6.648 -15.759 -11.321 1.00 32.52 C ATOM 520 NE2 HIS A 33 -6.400 -16.917 -11.907 1.00 62.22 N ATOM 0 H HIS A 33 -2.893 -15.043 -12.093 1.00 45.35 H new ATOM 0 HA HIS A 33 -3.137 -16.067 -14.772 1.00 14.44 H new ATOM 0 HB2 HIS A 33 -4.376 -13.559 -13.599 1.00 64.03 H new ATOM 0 HB3 HIS A 33 -4.969 -14.522 -14.938 1.00 64.03 H new ATOM 0 HD2 HIS A 33 -5.184 -17.458 -13.649 1.00 24.30 H new ATOM 0 HE1 HIS A 33 -7.274 -15.611 -10.454 1.00 32.52 H new ATOM 0 HE2 HIS A 33 -6.770 -17.821 -11.614 1.00 62.22 H new ATOM 528 N ILE A 34 -1.523 -13.225 -14.265 1.00 0.32 N ATOM 529 CA ILE A 34 -0.681 -12.249 -14.945 1.00 25.14 C ATOM 530 C ILE A 34 0.531 -12.919 -15.582 1.00 72.43 C ATOM 531 O ILE A 34 0.965 -12.536 -16.670 1.00 25.42 O ATOM 532 CB ILE A 34 -0.198 -11.152 -13.979 1.00 45.31 C ATOM 533 CG1 ILE A 34 -1.383 -10.554 -13.217 1.00 13.53 C ATOM 534 CG2 ILE A 34 0.551 -10.068 -14.740 1.00 42.31 C ATOM 535 CD1 ILE A 34 -0.979 -9.554 -12.158 1.00 40.41 C ATOM 0 H ILE A 34 -1.546 -13.128 -13.250 1.00 0.32 H new ATOM 0 HA ILE A 34 -1.292 -11.792 -15.723 1.00 25.14 H new ATOM 0 HB ILE A 34 0.485 -11.600 -13.257 1.00 45.31 H new ATOM 0 HG12 ILE A 34 -2.053 -10.068 -13.927 1.00 13.53 H new ATOM 0 HG13 ILE A 34 -1.946 -11.360 -12.747 1.00 13.53 H new ATOM 0 HG21 ILE A 34 0.886 -9.300 -14.043 1.00 42.31 H new ATOM 0 HG22 ILE A 34 1.415 -10.506 -15.241 1.00 42.31 H new ATOM 0 HG23 ILE A 34 -0.111 -9.621 -15.482 1.00 42.31 H new ATOM 0 HD11 ILE A 34 -1.870 -9.172 -11.659 1.00 40.41 H new ATOM 0 HD12 ILE A 34 -0.334 -10.040 -11.426 1.00 40.41 H new ATOM 0 HD13 ILE A 34 -0.442 -8.728 -12.624 1.00 40.41 H new ATOM 547 N VAL A 35 1.074 -13.922 -14.900 1.00 34.44 N ATOM 548 CA VAL A 35 2.235 -14.648 -15.401 1.00 1.11 C ATOM 549 C VAL A 35 1.827 -15.695 -16.431 1.00 55.41 C ATOM 550 O VAL A 35 2.529 -15.916 -17.417 1.00 34.13 O ATOM 551 CB VAL A 35 3.001 -15.339 -14.257 1.00 34.20 C ATOM 552 CG1 VAL A 35 4.189 -16.116 -14.804 1.00 32.44 C ATOM 553 CG2 VAL A 35 3.451 -14.318 -13.225 1.00 64.11 C ATOM 0 H VAL A 35 0.728 -14.251 -13.998 1.00 34.44 H new ATOM 0 HA VAL A 35 2.887 -13.914 -15.874 1.00 1.11 H new ATOM 0 HB VAL A 35 2.330 -16.045 -13.767 1.00 34.20 H new ATOM 0 HG11 VAL A 35 4.718 -16.598 -13.982 1.00 32.44 H new ATOM 0 HG12 VAL A 35 3.837 -16.875 -15.503 1.00 32.44 H new ATOM 0 HG13 VAL A 35 4.864 -15.433 -15.320 1.00 32.44 H new ATOM 0 HG21 VAL A 35 3.990 -14.824 -12.424 1.00 64.11 H new ATOM 0 HG22 VAL A 35 4.106 -13.587 -13.698 1.00 64.11 H new ATOM 0 HG23 VAL A 35 2.580 -13.810 -12.811 1.00 64.11 H new ATOM 563 N TRP A 36 0.688 -16.336 -16.195 1.00 44.34 N ATOM 564 CA TRP A 36 0.185 -17.361 -17.102 1.00 60.35 C ATOM 565 C TRP A 36 0.046 -16.813 -18.519 1.00 63.43 C ATOM 566 O TRP A 36 0.271 -17.527 -19.496 1.00 44.42 O ATOM 567 CB TRP A 36 -1.164 -17.887 -16.612 1.00 3.54 C ATOM 568 CG TRP A 36 -1.802 -18.860 -17.558 1.00 22.43 C ATOM 569 CD1 TRP A 36 -1.794 -20.222 -17.462 1.00 63.12 C ATOM 570 CD2 TRP A 36 -2.538 -18.544 -18.744 1.00 74.33 C ATOM 571 NE1 TRP A 36 -2.482 -20.772 -18.518 1.00 43.03 N ATOM 572 CE2 TRP A 36 -2.948 -19.763 -19.318 1.00 42.32 C ATOM 573 CE3 TRP A 36 -2.892 -17.349 -19.378 1.00 51.44 C ATOM 574 CZ2 TRP A 36 -3.693 -19.820 -20.492 1.00 55.33 C ATOM 575 CZ3 TRP A 36 -3.632 -17.407 -20.543 1.00 74.54 C ATOM 576 CH2 TRP A 36 -4.026 -18.635 -21.091 1.00 74.44 C ATOM 0 H TRP A 36 0.095 -16.164 -15.383 1.00 44.34 H new ATOM 0 HA TRP A 36 0.903 -18.181 -17.118 1.00 60.35 H new ATOM 0 HB2 TRP A 36 -1.028 -18.369 -15.644 1.00 3.54 H new ATOM 0 HB3 TRP A 36 -1.839 -17.046 -16.457 1.00 3.54 H new ATOM 0 HD1 TRP A 36 -1.317 -20.785 -16.673 1.00 63.12 H new ATOM 0 HE1 TRP A 36 -2.622 -21.769 -18.679 1.00 43.03 H new ATOM 0 HE3 TRP A 36 -2.592 -16.398 -18.964 1.00 51.44 H new ATOM 0 HZ2 TRP A 36 -3.998 -20.766 -20.916 1.00 55.33 H new ATOM 0 HZ3 TRP A 36 -3.912 -16.490 -21.040 1.00 74.54 H new ATOM 0 HH2 TRP A 36 -4.604 -18.647 -22.004 1.00 74.44 H new ATOM 587 N ALA A 37 -0.325 -15.541 -18.623 1.00 24.32 N ATOM 588 CA ALA A 37 -0.491 -14.897 -19.920 1.00 61.43 C ATOM 589 C ALA A 37 0.858 -14.515 -20.519 1.00 60.51 C ATOM 590 O ALA A 37 1.098 -14.715 -21.710 1.00 2.11 O ATOM 591 CB ALA A 37 -1.381 -13.669 -19.790 1.00 25.23 C ATOM 0 H ALA A 37 -0.516 -14.936 -17.824 1.00 24.32 H new ATOM 0 HA ALA A 37 -0.970 -15.608 -20.593 1.00 61.43 H new ATOM 0 HB1 ALA A 37 -1.496 -13.198 -20.766 1.00 25.23 H new ATOM 0 HB2 ALA A 37 -2.359 -13.967 -19.413 1.00 25.23 H new ATOM 0 HB3 ALA A 37 -0.926 -12.961 -19.097 1.00 25.23 H new ATOM 597 N SER A 38 1.735 -13.962 -19.688 1.00 1.41 N ATOM 598 CA SER A 38 3.059 -13.547 -20.137 1.00 11.52 C ATOM 599 C SER A 38 3.789 -14.702 -20.815 1.00 4.21 C ATOM 600 O SER A 38 4.503 -14.508 -21.799 1.00 4.41 O ATOM 601 CB SER A 38 3.883 -13.029 -18.957 1.00 42.51 C ATOM 602 OG SER A 38 3.756 -11.625 -18.824 1.00 43.12 O ATOM 0 H SER A 38 1.553 -13.791 -18.699 1.00 1.41 H new ATOM 0 HA SER A 38 2.934 -12.743 -20.863 1.00 11.52 H new ATOM 0 HB2 SER A 38 3.555 -13.516 -18.039 1.00 42.51 H new ATOM 0 HB3 SER A 38 4.932 -13.291 -19.099 1.00 42.51 H new ATOM 0 HG SER A 38 4.291 -11.319 -18.062 1.00 43.12 H new ATOM 608 N ARG A 39 3.606 -15.905 -20.280 1.00 41.25 N ATOM 609 CA ARG A 39 4.248 -17.092 -20.830 1.00 12.21 C ATOM 610 C ARG A 39 3.693 -17.418 -22.215 1.00 44.22 C ATOM 611 O ARG A 39 4.447 -17.698 -23.145 1.00 32.43 O ATOM 612 CB ARG A 39 4.049 -18.287 -19.896 1.00 50.44 C ATOM 613 CG ARG A 39 5.122 -18.409 -18.827 1.00 24.13 C ATOM 614 CD ARG A 39 5.369 -19.862 -18.449 1.00 72.13 C ATOM 615 NE ARG A 39 6.062 -20.592 -19.506 1.00 15.32 N ATOM 616 CZ ARG A 39 6.427 -21.864 -19.402 1.00 1.45 C ATOM 617 NH1 ARG A 39 6.166 -22.545 -18.294 1.00 54.42 N ATOM 618 NH2 ARG A 39 7.054 -22.461 -20.408 1.00 72.45 N ATOM 0 H ARG A 39 3.018 -16.083 -19.466 1.00 41.25 H new ATOM 0 HA ARG A 39 5.314 -16.886 -20.923 1.00 12.21 H new ATOM 0 HB2 ARG A 39 3.075 -18.202 -19.414 1.00 50.44 H new ATOM 0 HB3 ARG A 39 4.033 -19.202 -20.488 1.00 50.44 H new ATOM 0 HG2 ARG A 39 6.049 -17.963 -19.188 1.00 24.13 H new ATOM 0 HG3 ARG A 39 4.821 -17.848 -17.942 1.00 24.13 H new ATOM 0 HD2 ARG A 39 5.959 -19.903 -17.533 1.00 72.13 H new ATOM 0 HD3 ARG A 39 4.417 -20.348 -18.237 1.00 72.13 H new ATOM 0 HE ARG A 39 6.278 -20.098 -20.372 1.00 15.32 H new ATOM 0 HH11 ARG A 39 5.683 -22.091 -17.518 1.00 54.42 H new ATOM 0 HH12 ARG A 39 6.448 -23.522 -18.218 1.00 54.42 H new ATOM 0 HH21 ARG A 39 7.256 -21.942 -21.263 1.00 72.45 H new ATOM 0 HH22 ARG A 39 7.334 -23.438 -20.326 1.00 72.45 H new ATOM 632 N GLU A 40 2.370 -17.380 -22.339 1.00 54.02 N ATOM 633 CA GLU A 40 1.715 -17.672 -23.609 1.00 74.21 C ATOM 634 C GLU A 40 2.008 -16.582 -24.636 1.00 55.23 C ATOM 635 O GLU A 40 1.983 -16.827 -25.842 1.00 75.22 O ATOM 636 CB GLU A 40 0.204 -17.809 -23.410 1.00 42.23 C ATOM 637 CG GLU A 40 -0.451 -18.785 -24.372 1.00 12.21 C ATOM 638 CD GLU A 40 -1.464 -19.685 -23.690 1.00 21.42 C ATOM 639 OE1 GLU A 40 -1.046 -20.545 -22.888 1.00 25.04 O ATOM 640 OE2 GLU A 40 -2.673 -19.530 -23.960 1.00 73.41 O ATOM 0 H GLU A 40 1.732 -17.150 -21.577 1.00 54.02 H new ATOM 0 HA GLU A 40 2.111 -18.616 -23.984 1.00 74.21 H new ATOM 0 HB2 GLU A 40 0.009 -18.133 -22.388 1.00 42.23 H new ATOM 0 HB3 GLU A 40 -0.260 -16.830 -23.528 1.00 42.23 H new ATOM 0 HG2 GLU A 40 -0.944 -18.228 -25.169 1.00 12.21 H new ATOM 0 HG3 GLU A 40 0.318 -19.399 -24.840 1.00 12.21 H new ATOM 647 N LEU A 41 2.282 -15.377 -24.149 1.00 23.03 N ATOM 648 CA LEU A 41 2.579 -14.247 -25.022 1.00 32.14 C ATOM 649 C LEU A 41 3.906 -14.453 -25.747 1.00 42.35 C ATOM 650 O LEU A 41 3.963 -14.433 -26.976 1.00 14.54 O ATOM 651 CB LEU A 41 2.623 -12.950 -24.215 1.00 53.44 C ATOM 652 CG LEU A 41 1.302 -12.185 -24.100 1.00 14.14 C ATOM 653 CD1 LEU A 41 1.471 -10.957 -23.222 1.00 70.35 C ATOM 654 CD2 LEU A 41 0.794 -11.792 -25.480 1.00 11.43 C ATOM 0 H LEU A 41 2.305 -15.157 -23.153 1.00 23.03 H new ATOM 0 HA LEU A 41 1.786 -14.177 -25.766 1.00 32.14 H new ATOM 0 HB2 LEU A 41 2.974 -13.183 -23.210 1.00 53.44 H new ATOM 0 HB3 LEU A 41 3.364 -12.290 -24.666 1.00 53.44 H new ATOM 0 HG LEU A 41 0.564 -12.838 -23.635 1.00 14.14 H new ATOM 0 HD11 LEU A 41 0.522 -10.426 -23.152 1.00 70.35 H new ATOM 0 HD12 LEU A 41 1.790 -11.263 -22.226 1.00 70.35 H new ATOM 0 HD13 LEU A 41 2.223 -10.299 -23.657 1.00 70.35 H new ATOM 0 HD21 LEU A 41 -0.146 -11.249 -25.381 1.00 11.43 H new ATOM 0 HD22 LEU A 41 1.530 -11.156 -25.971 1.00 11.43 H new ATOM 0 HD23 LEU A 41 0.633 -12.689 -26.078 1.00 11.43 H new ATOM 666 N GLU A 42 4.970 -14.653 -24.976 1.00 32.30 N ATOM 667 CA GLU A 42 6.297 -14.863 -25.545 1.00 51.21 C ATOM 668 C GLU A 42 6.278 -16.003 -26.561 1.00 4.11 C ATOM 669 O GLU A 42 7.078 -16.028 -27.496 1.00 45.20 O ATOM 670 CB GLU A 42 7.309 -15.167 -24.439 1.00 11.31 C ATOM 671 CG GLU A 42 8.365 -14.089 -24.267 1.00 2.41 C ATOM 672 CD GLU A 42 9.659 -14.419 -24.983 1.00 14.22 C ATOM 673 OE1 GLU A 42 9.750 -14.151 -26.199 1.00 53.44 O ATOM 674 OE2 GLU A 42 10.581 -14.948 -24.328 1.00 63.35 O ATOM 0 H GLU A 42 4.940 -14.674 -23.957 1.00 32.30 H new ATOM 0 HA GLU A 42 6.594 -13.948 -26.057 1.00 51.21 H new ATOM 0 HB2 GLU A 42 6.777 -15.296 -23.497 1.00 11.31 H new ATOM 0 HB3 GLU A 42 7.801 -16.114 -24.659 1.00 11.31 H new ATOM 0 HG2 GLU A 42 7.977 -13.143 -24.644 1.00 2.41 H new ATOM 0 HG3 GLU A 42 8.567 -13.950 -23.205 1.00 2.41 H new ATOM 681 N ARG A 43 5.359 -16.943 -26.367 1.00 34.24 N ATOM 682 CA ARG A 43 5.237 -18.087 -27.264 1.00 73.32 C ATOM 683 C ARG A 43 4.797 -17.642 -28.656 1.00 24.51 C ATOM 684 O ARG A 43 5.157 -18.259 -29.660 1.00 43.14 O ATOM 685 CB ARG A 43 4.237 -19.099 -26.702 1.00 22.13 C ATOM 686 CG ARG A 43 4.650 -20.546 -26.916 1.00 73.33 C ATOM 687 CD ARG A 43 4.148 -21.076 -28.251 1.00 22.41 C ATOM 688 NE ARG A 43 5.080 -22.031 -28.844 1.00 34.31 N ATOM 689 CZ ARG A 43 4.735 -22.912 -29.778 1.00 63.03 C ATOM 690 NH1 ARG A 43 3.486 -22.958 -30.220 1.00 4.51 N ATOM 691 NH2 ARG A 43 5.640 -23.749 -30.269 1.00 53.33 N ATOM 0 H ARG A 43 4.689 -16.936 -25.598 1.00 34.24 H new ATOM 0 HA ARG A 43 6.216 -18.559 -27.344 1.00 73.32 H new ATOM 0 HB2 ARG A 43 4.113 -18.920 -25.634 1.00 22.13 H new ATOM 0 HB3 ARG A 43 3.266 -18.934 -27.168 1.00 22.13 H new ATOM 0 HG2 ARG A 43 5.736 -20.625 -26.877 1.00 73.33 H new ATOM 0 HG3 ARG A 43 4.256 -21.162 -26.107 1.00 73.33 H new ATOM 0 HD2 ARG A 43 3.179 -21.555 -28.110 1.00 22.41 H new ATOM 0 HD3 ARG A 43 3.996 -20.243 -28.938 1.00 22.41 H new ATOM 0 HE ARG A 43 6.049 -22.022 -28.524 1.00 34.31 H new ATOM 0 HH11 ARG A 43 2.788 -22.317 -29.843 1.00 4.51 H new ATOM 0 HH12 ARG A 43 3.223 -23.635 -30.937 1.00 4.51 H new ATOM 0 HH21 ARG A 43 6.601 -23.717 -29.930 1.00 53.33 H new ATOM 0 HH22 ARG A 43 5.374 -24.425 -30.986 1.00 53.33 H new ATOM 705 N PHE A 44 4.017 -16.567 -28.709 1.00 21.25 N ATOM 706 CA PHE A 44 3.528 -16.039 -29.977 1.00 12.35 C ATOM 707 C PHE A 44 4.420 -14.907 -30.476 1.00 34.24 C ATOM 708 O PHE A 44 3.966 -14.016 -31.194 1.00 20.43 O ATOM 709 CB PHE A 44 2.089 -15.541 -29.825 1.00 2.44 C ATOM 710 CG PHE A 44 1.154 -16.573 -29.261 1.00 53.34 C ATOM 711 CD1 PHE A 44 1.083 -17.841 -29.817 1.00 70.24 C ATOM 712 CD2 PHE A 44 0.346 -16.276 -28.176 1.00 12.10 C ATOM 713 CE1 PHE A 44 0.224 -18.791 -29.300 1.00 41.50 C ATOM 714 CE2 PHE A 44 -0.516 -17.223 -27.655 1.00 63.14 C ATOM 715 CZ PHE A 44 -0.576 -18.482 -28.217 1.00 10.13 C ATOM 0 H PHE A 44 3.710 -16.045 -27.888 1.00 21.25 H new ATOM 0 HA PHE A 44 3.551 -16.845 -30.710 1.00 12.35 H new ATOM 0 HB2 PHE A 44 2.083 -14.664 -29.178 1.00 2.44 H new ATOM 0 HB3 PHE A 44 1.719 -15.221 -30.799 1.00 2.44 H new ATOM 0 HD1 PHE A 44 1.706 -18.089 -30.664 1.00 70.24 H new ATOM 0 HD2 PHE A 44 0.390 -15.293 -27.732 1.00 12.10 H new ATOM 0 HE1 PHE A 44 0.178 -19.775 -29.742 1.00 41.50 H new ATOM 0 HE2 PHE A 44 -1.142 -16.978 -26.809 1.00 63.14 H new ATOM 0 HZ PHE A 44 -1.247 -19.224 -27.811 1.00 10.13 H new ATOM 725 N ALA A 45 5.690 -14.948 -30.090 1.00 0.14 N ATOM 726 CA ALA A 45 6.647 -13.927 -30.499 1.00 2.01 C ATOM 727 C ALA A 45 6.266 -12.562 -29.937 1.00 73.15 C ATOM 728 O ALA A 45 6.646 -11.526 -30.484 1.00 3.21 O ATOM 729 CB ALA A 45 6.740 -13.869 -32.017 1.00 64.42 C ATOM 0 H ALA A 45 6.081 -15.678 -29.494 1.00 0.14 H new ATOM 0 HA ALA A 45 7.624 -14.196 -30.097 1.00 2.01 H new ATOM 0 HB1 ALA A 45 7.458 -13.102 -32.309 1.00 64.42 H new ATOM 0 HB2 ALA A 45 7.067 -14.836 -32.399 1.00 64.42 H new ATOM 0 HB3 ALA A 45 5.762 -13.627 -32.432 1.00 64.42 H new ATOM 735 N VAL A 46 5.512 -12.566 -28.843 1.00 5.24 N ATOM 736 CA VAL A 46 5.080 -11.328 -28.206 1.00 62.02 C ATOM 737 C VAL A 46 5.623 -11.221 -26.785 1.00 33.12 C ATOM 738 O VAL A 46 5.267 -12.012 -25.913 1.00 1.15 O ATOM 739 CB VAL A 46 3.544 -11.224 -28.166 1.00 54.50 C ATOM 740 CG1 VAL A 46 3.113 -9.944 -27.466 1.00 22.01 C ATOM 741 CG2 VAL A 46 2.969 -11.292 -29.573 1.00 52.03 C ATOM 0 H VAL A 46 5.187 -13.414 -28.379 1.00 5.24 H new ATOM 0 HA VAL A 46 5.477 -10.509 -28.806 1.00 62.02 H new ATOM 0 HB VAL A 46 3.155 -12.069 -27.598 1.00 54.50 H new ATOM 0 HG11 VAL A 46 2.025 -9.888 -27.448 1.00 22.01 H new ATOM 0 HG12 VAL A 46 3.494 -9.942 -26.445 1.00 22.01 H new ATOM 0 HG13 VAL A 46 3.511 -9.083 -28.004 1.00 22.01 H new ATOM 0 HG21 VAL A 46 1.883 -11.217 -29.526 1.00 52.03 H new ATOM 0 HG22 VAL A 46 3.364 -10.468 -30.168 1.00 52.03 H new ATOM 0 HG23 VAL A 46 3.248 -12.239 -30.035 1.00 52.03 H new ATOM 751 N ASN A 47 6.487 -10.237 -26.561 1.00 0.31 N ATOM 752 CA ASN A 47 7.080 -10.025 -25.245 1.00 13.43 C ATOM 753 C ASN A 47 6.002 -9.749 -24.201 1.00 41.22 C ATOM 754 O ASN A 47 4.997 -9.091 -24.470 1.00 43.34 O ATOM 755 CB ASN A 47 8.073 -8.863 -25.291 1.00 45.24 C ATOM 756 CG ASN A 47 9.377 -9.243 -25.964 1.00 34.35 C ATOM 757 OD1 ASN A 47 9.729 -10.420 -26.042 1.00 4.24 O ATOM 758 ND2 ASN A 47 10.102 -8.244 -26.456 1.00 2.23 N ATOM 0 H ASN A 47 6.792 -9.574 -27.273 1.00 0.31 H new ATOM 0 HA ASN A 47 7.610 -10.934 -24.962 1.00 13.43 H new ATOM 0 HB2 ASN A 47 7.623 -8.025 -25.824 1.00 45.24 H new ATOM 0 HB3 ASN A 47 8.277 -8.523 -24.276 1.00 45.24 H new ATOM 0 HD21 ASN A 47 10.989 -8.438 -26.921 1.00 2.23 H new ATOM 0 HD22 ASN A 47 9.772 -7.283 -26.369 1.00 2.23 H new ATOM 765 N PRO A 48 6.216 -10.261 -22.980 1.00 62.34 N ATOM 766 CA PRO A 48 5.275 -10.080 -21.870 1.00 71.22 C ATOM 767 C PRO A 48 5.240 -8.640 -21.368 1.00 2.54 C ATOM 768 O PRO A 48 4.314 -8.241 -20.663 1.00 71.23 O ATOM 769 CB PRO A 48 5.822 -11.011 -20.785 1.00 35.20 C ATOM 770 CG PRO A 48 7.275 -11.135 -21.091 1.00 24.22 C ATOM 771 CD PRO A 48 7.392 -11.054 -22.588 1.00 10.05 C ATOM 0 HA PRO A 48 4.250 -10.303 -22.165 1.00 71.22 H new ATOM 0 HB2 PRO A 48 5.661 -10.597 -19.790 1.00 35.20 H new ATOM 0 HB3 PRO A 48 5.328 -11.982 -20.810 1.00 35.20 H new ATOM 0 HG2 PRO A 48 7.844 -10.338 -20.612 1.00 24.22 H new ATOM 0 HG3 PRO A 48 7.673 -12.079 -20.719 1.00 24.22 H new ATOM 0 HD2 PRO A 48 8.321 -10.572 -22.893 1.00 10.05 H new ATOM 0 HD3 PRO A 48 7.380 -12.043 -23.046 1.00 10.05 H new ATOM 779 N GLY A 49 6.256 -7.865 -21.736 1.00 52.11 N ATOM 780 CA GLY A 49 6.321 -6.478 -21.313 1.00 11.12 C ATOM 781 C GLY A 49 5.171 -5.653 -21.855 1.00 70.31 C ATOM 782 O GLY A 49 4.779 -4.651 -21.253 1.00 13.21 O ATOM 0 H GLY A 49 7.034 -8.173 -22.319 1.00 52.11 H new ATOM 0 HA2 GLY A 49 6.315 -6.433 -20.224 1.00 11.12 H new ATOM 0 HA3 GLY A 49 7.264 -6.044 -21.645 1.00 11.12 H new ATOM 786 N LEU A 50 4.630 -6.070 -22.994 1.00 53.22 N ATOM 787 CA LEU A 50 3.518 -5.361 -23.618 1.00 24.04 C ATOM 788 C LEU A 50 2.343 -5.235 -22.653 1.00 34.23 C ATOM 789 O LEU A 50 1.532 -4.314 -22.762 1.00 73.40 O ATOM 790 CB LEU A 50 3.074 -6.086 -24.889 1.00 33.44 C ATOM 791 CG LEU A 50 4.097 -6.134 -26.026 1.00 4.50 C ATOM 792 CD1 LEU A 50 3.489 -6.773 -27.264 1.00 55.42 C ATOM 793 CD2 LEU A 50 4.610 -4.737 -26.342 1.00 61.05 C ATOM 0 H LEU A 50 4.943 -6.896 -23.505 1.00 53.22 H new ATOM 0 HA LEU A 50 3.859 -4.359 -23.879 1.00 24.04 H new ATOM 0 HB2 LEU A 50 2.805 -7.109 -24.625 1.00 33.44 H new ATOM 0 HB3 LEU A 50 2.169 -5.605 -25.261 1.00 33.44 H new ATOM 0 HG LEU A 50 4.941 -6.745 -25.704 1.00 4.50 H new ATOM 0 HD11 LEU A 50 4.231 -6.798 -28.062 1.00 55.42 H new ATOM 0 HD12 LEU A 50 3.172 -7.789 -27.030 1.00 55.42 H new ATOM 0 HD13 LEU A 50 2.627 -6.190 -27.588 1.00 55.42 H new ATOM 0 HD21 LEU A 50 5.336 -4.791 -27.153 1.00 61.05 H new ATOM 0 HD22 LEU A 50 3.776 -4.103 -26.643 1.00 61.05 H new ATOM 0 HD23 LEU A 50 5.085 -4.315 -25.457 1.00 61.05 H new ATOM 805 N LEU A 51 2.257 -6.166 -21.709 1.00 74.42 N ATOM 806 CA LEU A 51 1.181 -6.158 -20.724 1.00 4.13 C ATOM 807 C LEU A 51 1.447 -5.123 -19.635 1.00 31.33 C ATOM 808 O LEU A 51 0.517 -4.608 -19.016 1.00 75.50 O ATOM 809 CB LEU A 51 1.028 -7.545 -20.098 1.00 14.33 C ATOM 810 CG LEU A 51 0.678 -8.682 -21.060 1.00 45.23 C ATOM 811 CD1 LEU A 51 0.554 -9.998 -20.309 1.00 64.01 C ATOM 812 CD2 LEU A 51 -0.610 -8.369 -21.808 1.00 5.34 C ATOM 0 H LEU A 51 2.919 -6.935 -21.605 1.00 74.42 H new ATOM 0 HA LEU A 51 0.256 -5.891 -21.234 1.00 4.13 H new ATOM 0 HB2 LEU A 51 1.960 -7.798 -19.592 1.00 14.33 H new ATOM 0 HB3 LEU A 51 0.254 -7.493 -19.332 1.00 14.33 H new ATOM 0 HG LEU A 51 1.484 -8.778 -21.788 1.00 45.23 H new ATOM 0 HD11 LEU A 51 0.305 -10.795 -21.010 1.00 64.01 H new ATOM 0 HD12 LEU A 51 1.500 -10.228 -19.820 1.00 64.01 H new ATOM 0 HD13 LEU A 51 -0.232 -9.916 -19.558 1.00 64.01 H new ATOM 0 HD21 LEU A 51 -0.844 -9.188 -22.488 1.00 5.34 H new ATOM 0 HD22 LEU A 51 -1.425 -8.246 -21.094 1.00 5.34 H new ATOM 0 HD23 LEU A 51 -0.485 -7.449 -22.378 1.00 5.34 H new ATOM 824 N GLU A 52 2.723 -4.823 -19.411 1.00 52.32 N ATOM 825 CA GLU A 52 3.109 -3.848 -18.398 1.00 72.24 C ATOM 826 C GLU A 52 2.866 -2.424 -18.892 1.00 13.13 C ATOM 827 O GLU A 52 3.016 -1.460 -18.141 1.00 11.12 O ATOM 828 CB GLU A 52 4.582 -4.025 -18.024 1.00 71.31 C ATOM 829 CG GLU A 52 5.024 -3.153 -16.860 1.00 2.14 C ATOM 830 CD GLU A 52 6.303 -3.648 -16.213 1.00 15.54 C ATOM 831 OE1 GLU A 52 6.735 -4.775 -16.537 1.00 74.34 O ATOM 832 OE2 GLU A 52 6.871 -2.910 -15.382 1.00 70.32 O ATOM 0 H GLU A 52 3.505 -5.240 -19.916 1.00 52.32 H new ATOM 0 HA GLU A 52 2.494 -4.017 -17.514 1.00 72.24 H new ATOM 0 HB2 GLU A 52 4.761 -5.070 -17.772 1.00 71.31 H new ATOM 0 HB3 GLU A 52 5.199 -3.796 -18.893 1.00 71.31 H new ATOM 0 HG2 GLU A 52 5.171 -2.132 -17.211 1.00 2.14 H new ATOM 0 HG3 GLU A 52 4.231 -3.122 -16.112 1.00 2.14 H new ATOM 839 N THR A 53 2.489 -2.301 -20.161 1.00 31.12 N ATOM 840 CA THR A 53 2.227 -0.998 -20.757 1.00 52.13 C ATOM 841 C THR A 53 0.839 -0.949 -21.385 1.00 50.21 C ATOM 842 O THR A 53 0.466 -1.831 -22.159 1.00 34.22 O ATOM 843 CB THR A 53 3.276 -0.649 -21.830 1.00 72.12 C ATOM 844 OG1 THR A 53 3.057 -1.439 -23.004 1.00 51.12 O ATOM 845 CG2 THR A 53 4.684 -0.886 -21.307 1.00 73.41 C ATOM 0 H THR A 53 2.358 -3.089 -20.796 1.00 31.12 H new ATOM 0 HA THR A 53 2.284 -0.266 -19.952 1.00 52.13 H new ATOM 0 HB THR A 53 3.172 0.407 -22.079 1.00 72.12 H new ATOM 0 HG1 THR A 53 2.457 -2.184 -22.790 1.00 51.12 H new ATOM 0 HG21 THR A 53 5.407 -0.633 -22.082 1.00 73.41 H new ATOM 0 HG22 THR A 53 4.857 -0.261 -20.431 1.00 73.41 H new ATOM 0 HG23 THR A 53 4.798 -1.935 -21.033 1.00 73.41 H new ATOM 853 N SER A 54 0.076 0.086 -21.046 1.00 32.42 N ATOM 854 CA SER A 54 -1.272 0.247 -21.576 1.00 10.52 C ATOM 855 C SER A 54 -1.264 0.227 -23.101 1.00 0.44 C ATOM 856 O SER A 54 -2.256 -0.136 -23.732 1.00 32.10 O ATOM 857 CB SER A 54 -1.886 1.556 -21.076 1.00 65.05 C ATOM 858 OG SER A 54 -3.270 1.403 -20.814 1.00 51.22 O ATOM 0 H SER A 54 0.369 0.825 -20.407 1.00 32.42 H new ATOM 0 HA SER A 54 -1.876 -0.589 -21.223 1.00 10.52 H new ATOM 0 HB2 SER A 54 -1.374 1.878 -20.169 1.00 65.05 H new ATOM 0 HB3 SER A 54 -1.738 2.338 -21.820 1.00 65.05 H new ATOM 0 HG SER A 54 -3.638 2.253 -20.494 1.00 51.22 H new ATOM 864 N GLU A 55 -0.137 0.618 -23.686 1.00 64.31 N ATOM 865 CA GLU A 55 0.002 0.645 -25.137 1.00 53.04 C ATOM 866 C GLU A 55 0.214 -0.761 -25.690 1.00 51.53 C ATOM 867 O GLU A 55 -0.381 -1.140 -26.699 1.00 63.14 O ATOM 868 CB GLU A 55 1.169 1.546 -25.544 1.00 72.24 C ATOM 869 CG GLU A 55 0.742 2.942 -25.969 1.00 0.23 C ATOM 870 CD GLU A 55 1.291 3.331 -27.328 1.00 32.24 C ATOM 871 OE1 GLU A 55 0.680 2.948 -28.348 1.00 1.31 O ATOM 872 OE2 GLU A 55 2.332 4.020 -27.371 1.00 73.10 O ATOM 0 H GLU A 55 0.694 0.921 -23.177 1.00 64.31 H new ATOM 0 HA GLU A 55 -0.921 1.046 -25.556 1.00 53.04 H new ATOM 0 HB2 GLU A 55 1.863 1.627 -24.708 1.00 72.24 H new ATOM 0 HB3 GLU A 55 1.711 1.076 -26.364 1.00 72.24 H new ATOM 0 HG2 GLU A 55 -0.347 2.994 -25.993 1.00 0.23 H new ATOM 0 HG3 GLU A 55 1.079 3.664 -25.225 1.00 0.23 H new ATOM 879 N GLY A 56 1.066 -1.532 -25.022 1.00 44.22 N ATOM 880 CA GLY A 56 1.343 -2.887 -25.460 1.00 70.21 C ATOM 881 C GLY A 56 0.108 -3.766 -25.441 1.00 31.11 C ATOM 882 O GLY A 56 -0.101 -4.575 -26.346 1.00 63.20 O ATOM 0 H GLY A 56 1.570 -1.242 -24.184 1.00 44.22 H new ATOM 0 HA2 GLY A 56 1.752 -2.863 -26.470 1.00 70.21 H new ATOM 0 HA3 GLY A 56 2.107 -3.325 -24.817 1.00 70.21 H new ATOM 886 N CYS A 57 -0.711 -3.609 -24.407 1.00 54.40 N ATOM 887 CA CYS A 57 -1.931 -4.397 -24.272 1.00 20.21 C ATOM 888 C CYS A 57 -2.856 -4.177 -25.465 1.00 3.04 C ATOM 889 O CYS A 57 -3.347 -5.133 -26.066 1.00 71.41 O ATOM 890 CB CYS A 57 -2.656 -4.034 -22.976 1.00 12.54 C ATOM 891 SG CYS A 57 -2.456 -5.250 -21.652 1.00 51.12 S ATOM 0 H CYS A 57 -0.553 -2.944 -23.650 1.00 54.40 H new ATOM 0 HA CYS A 57 -1.652 -5.450 -24.241 1.00 20.21 H new ATOM 0 HB2 CYS A 57 -2.291 -3.069 -22.626 1.00 12.54 H new ATOM 0 HB3 CYS A 57 -3.719 -3.915 -23.188 1.00 12.54 H new ATOM 0 HG CYS A 57 -3.103 -4.853 -20.597 1.00 51.12 H new ATOM 897 N ARG A 58 -3.089 -2.913 -25.801 1.00 21.22 N ATOM 898 CA ARG A 58 -3.957 -2.568 -26.921 1.00 63.12 C ATOM 899 C ARG A 58 -3.534 -3.310 -28.185 1.00 14.00 C ATOM 900 O ARG A 58 -4.375 -3.793 -28.943 1.00 73.03 O ATOM 901 CB ARG A 58 -3.929 -1.059 -27.168 1.00 72.23 C ATOM 902 CG ARG A 58 -4.938 -0.593 -28.205 1.00 13.10 C ATOM 903 CD ARG A 58 -4.527 0.733 -28.826 1.00 50.50 C ATOM 904 NE ARG A 58 -5.516 1.218 -29.786 1.00 3.24 N ATOM 905 CZ ARG A 58 -5.675 0.703 -31.000 1.00 50.50 C ATOM 906 NH1 ARG A 58 -4.916 -0.308 -31.400 1.00 51.33 N ATOM 907 NH2 ARG A 58 -6.597 1.199 -31.816 1.00 3.43 N ATOM 0 H ARG A 58 -2.689 -2.111 -25.314 1.00 21.22 H new ATOM 0 HA ARG A 58 -4.974 -2.869 -26.668 1.00 63.12 H new ATOM 0 HB2 ARG A 58 -4.122 -0.542 -26.228 1.00 72.23 H new ATOM 0 HB3 ARG A 58 -2.929 -0.771 -27.491 1.00 72.23 H new ATOM 0 HG2 ARG A 58 -5.034 -1.348 -28.986 1.00 13.10 H new ATOM 0 HG3 ARG A 58 -5.918 -0.490 -27.740 1.00 13.10 H new ATOM 0 HD2 ARG A 58 -4.391 1.475 -28.039 1.00 50.50 H new ATOM 0 HD3 ARG A 58 -3.565 0.617 -29.324 1.00 50.50 H new ATOM 0 HE ARG A 58 -6.117 1.994 -29.509 1.00 3.24 H new ATOM 0 HH11 ARG A 58 -4.208 -0.692 -30.775 1.00 51.33 H new ATOM 0 HH12 ARG A 58 -5.041 -0.701 -32.333 1.00 51.33 H new ATOM 0 HH21 ARG A 58 -7.183 1.976 -31.511 1.00 3.43 H new ATOM 0 HH22 ARG A 58 -6.719 0.803 -32.748 1.00 3.43 H new ATOM 921 N GLN A 59 -2.227 -3.395 -28.406 1.00 24.34 N ATOM 922 CA GLN A 59 -1.693 -4.077 -29.579 1.00 43.51 C ATOM 923 C GLN A 59 -2.032 -5.564 -29.546 1.00 63.03 C ATOM 924 O GLN A 59 -2.261 -6.181 -30.586 1.00 24.22 O ATOM 925 CB GLN A 59 -0.177 -3.889 -29.659 1.00 42.32 C ATOM 926 CG GLN A 59 0.359 -3.873 -31.081 1.00 24.44 C ATOM 927 CD GLN A 59 1.443 -2.832 -31.284 1.00 32.05 C ATOM 928 OE1 GLN A 59 1.157 -1.663 -31.542 1.00 14.11 O ATOM 929 NE2 GLN A 59 2.698 -3.253 -31.168 1.00 51.51 N ATOM 0 H GLN A 59 -1.518 -3.000 -27.788 1.00 24.34 H new ATOM 0 HA GLN A 59 -2.153 -3.638 -30.464 1.00 43.51 H new ATOM 0 HB2 GLN A 59 0.091 -2.954 -29.168 1.00 42.32 H new ATOM 0 HB3 GLN A 59 0.310 -4.691 -29.105 1.00 42.32 H new ATOM 0 HG2 GLN A 59 0.756 -4.858 -31.327 1.00 24.44 H new ATOM 0 HG3 GLN A 59 -0.461 -3.678 -31.772 1.00 24.44 H new ATOM 0 HE21 GLN A 59 2.890 -4.231 -30.953 1.00 51.51 H new ATOM 0 HE22 GLN A 59 3.469 -2.598 -31.294 1.00 51.51 H new ATOM 938 N ILE A 60 -2.061 -6.132 -28.346 1.00 45.31 N ATOM 939 CA ILE A 60 -2.373 -7.546 -28.177 1.00 24.22 C ATOM 940 C ILE A 60 -3.855 -7.814 -28.415 1.00 44.40 C ATOM 941 O ILE A 60 -4.221 -8.691 -29.197 1.00 33.10 O ATOM 942 CB ILE A 60 -1.991 -8.043 -26.770 1.00 13.01 C ATOM 943 CG1 ILE A 60 -0.502 -7.807 -26.508 1.00 61.24 C ATOM 944 CG2 ILE A 60 -2.333 -9.518 -26.619 1.00 14.20 C ATOM 945 CD1 ILE A 60 -0.126 -7.888 -25.045 1.00 70.30 C ATOM 0 H ILE A 60 -1.872 -5.635 -27.476 1.00 45.31 H new ATOM 0 HA ILE A 60 -1.785 -8.090 -28.917 1.00 24.22 H new ATOM 0 HB ILE A 60 -2.564 -7.479 -26.034 1.00 13.01 H new ATOM 0 HG12 ILE A 60 0.078 -8.543 -27.065 1.00 61.24 H new ATOM 0 HG13 ILE A 60 -0.225 -6.825 -26.892 1.00 61.24 H new ATOM 0 HG21 ILE A 60 -2.057 -9.855 -25.620 1.00 14.20 H new ATOM 0 HG22 ILE A 60 -3.403 -9.660 -26.768 1.00 14.20 H new ATOM 0 HG23 ILE A 60 -1.784 -10.097 -27.361 1.00 14.20 H new ATOM 0 HD11 ILE A 60 0.944 -7.711 -24.934 1.00 70.30 H new ATOM 0 HD12 ILE A 60 -0.679 -7.134 -24.485 1.00 70.30 H new ATOM 0 HD13 ILE A 60 -0.372 -8.878 -24.660 1.00 70.30 H new ATOM 957 N LEU A 61 -4.705 -7.053 -27.735 1.00 64.33 N ATOM 958 CA LEU A 61 -6.148 -7.205 -27.872 1.00 15.33 C ATOM 959 C LEU A 61 -6.581 -7.012 -29.322 1.00 52.42 C ATOM 960 O LEU A 61 -7.606 -7.539 -29.750 1.00 52.30 O ATOM 961 CB LEU A 61 -6.876 -6.204 -26.973 1.00 2.41 C ATOM 962 CG LEU A 61 -6.652 -6.368 -25.468 1.00 15.11 C ATOM 963 CD1 LEU A 61 -7.118 -5.128 -24.722 1.00 21.20 C ATOM 964 CD2 LEU A 61 -7.375 -7.605 -24.954 1.00 63.13 C ATOM 0 H LEU A 61 -4.419 -6.323 -27.082 1.00 64.33 H new ATOM 0 HA LEU A 61 -6.411 -8.217 -27.565 1.00 15.33 H new ATOM 0 HB2 LEU A 61 -6.568 -5.198 -27.259 1.00 2.41 H new ATOM 0 HB3 LEU A 61 -7.945 -6.278 -27.171 1.00 2.41 H new ATOM 0 HG LEU A 61 -5.584 -6.495 -25.290 1.00 15.11 H new ATOM 0 HD11 LEU A 61 -6.951 -5.262 -23.653 1.00 21.20 H new ATOM 0 HD12 LEU A 61 -6.557 -4.261 -25.071 1.00 21.20 H new ATOM 0 HD13 LEU A 61 -8.181 -4.970 -24.906 1.00 21.20 H new ATOM 0 HD21 LEU A 61 -7.205 -7.707 -23.882 1.00 63.13 H new ATOM 0 HD22 LEU A 61 -8.444 -7.507 -25.144 1.00 63.13 H new ATOM 0 HD23 LEU A 61 -6.994 -8.488 -25.467 1.00 63.13 H new ATOM 976 N GLY A 62 -5.790 -6.252 -30.073 1.00 14.42 N ATOM 977 CA GLY A 62 -6.107 -6.004 -31.468 1.00 32.11 C ATOM 978 C GLY A 62 -5.972 -7.248 -32.323 1.00 71.12 C ATOM 979 O GLY A 62 -6.759 -7.461 -33.245 1.00 0.12 O ATOM 0 H GLY A 62 -4.936 -5.804 -29.741 1.00 14.42 H new ATOM 0 HA2 GLY A 62 -7.126 -5.624 -31.544 1.00 32.11 H new ATOM 0 HA3 GLY A 62 -5.447 -5.228 -31.855 1.00 32.11 H new ATOM 983 N GLN A 63 -4.972 -8.069 -32.019 1.00 50.41 N ATOM 984 CA GLN A 63 -4.737 -9.296 -32.769 1.00 13.55 C ATOM 985 C GLN A 63 -5.672 -10.407 -32.303 1.00 44.10 C ATOM 986 O GLN A 63 -6.127 -11.227 -33.102 1.00 24.21 O ATOM 987 CB GLN A 63 -3.281 -9.741 -32.616 1.00 14.32 C ATOM 988 CG GLN A 63 -2.336 -9.082 -33.607 1.00 43.31 C ATOM 989 CD GLN A 63 -1.085 -9.902 -33.855 1.00 63.13 C ATOM 990 OE1 GLN A 63 -0.736 -10.192 -34.999 1.00 55.11 O ATOM 991 NE2 GLN A 63 -0.403 -10.279 -32.780 1.00 22.33 N ATOM 0 H GLN A 63 -4.312 -7.906 -31.259 1.00 50.41 H new ATOM 0 HA GLN A 63 -4.939 -9.093 -33.821 1.00 13.55 H new ATOM 0 HB2 GLN A 63 -2.946 -9.517 -31.603 1.00 14.32 H new ATOM 0 HB3 GLN A 63 -3.226 -10.823 -32.738 1.00 14.32 H new ATOM 0 HG2 GLN A 63 -2.857 -8.927 -34.552 1.00 43.31 H new ATOM 0 HG3 GLN A 63 -2.053 -8.098 -33.234 1.00 43.31 H new ATOM 0 HE21 GLN A 63 -0.730 -10.016 -31.850 1.00 22.33 H new ATOM 0 HE22 GLN A 63 0.448 -10.832 -32.884 1.00 22.33 H new ATOM 1000 N LEU A 64 -5.955 -10.429 -31.005 1.00 0.31 N ATOM 1001 CA LEU A 64 -6.837 -11.440 -30.432 1.00 44.31 C ATOM 1002 C LEU A 64 -8.299 -11.114 -30.718 1.00 22.45 C ATOM 1003 O LEU A 64 -9.146 -12.006 -30.764 1.00 64.22 O ATOM 1004 CB LEU A 64 -6.612 -11.544 -28.921 1.00 54.24 C ATOM 1005 CG LEU A 64 -5.170 -11.777 -28.472 1.00 31.35 C ATOM 1006 CD1 LEU A 64 -5.099 -11.930 -26.960 1.00 33.31 C ATOM 1007 CD2 LEU A 64 -4.587 -13.002 -29.162 1.00 63.50 C ATOM 0 H LEU A 64 -5.587 -9.759 -30.330 1.00 0.31 H new ATOM 0 HA LEU A 64 -6.600 -12.398 -30.896 1.00 44.31 H new ATOM 0 HB2 LEU A 64 -6.972 -10.626 -28.456 1.00 54.24 H new ATOM 0 HB3 LEU A 64 -7.227 -12.358 -28.537 1.00 54.24 H new ATOM 0 HG LEU A 64 -4.577 -10.908 -28.757 1.00 31.35 H new ATOM 0 HD11 LEU A 64 -4.064 -12.095 -26.659 1.00 33.31 H new ATOM 0 HD12 LEU A 64 -5.475 -11.024 -26.485 1.00 33.31 H new ATOM 0 HD13 LEU A 64 -5.707 -12.781 -26.651 1.00 33.31 H new ATOM 0 HD21 LEU A 64 -3.560 -13.152 -28.830 1.00 63.50 H new ATOM 0 HD22 LEU A 64 -5.182 -13.880 -28.909 1.00 63.50 H new ATOM 0 HD23 LEU A 64 -4.601 -12.853 -30.242 1.00 63.50 H new ATOM 1019 N GLN A 65 -8.586 -9.831 -30.913 1.00 4.43 N ATOM 1020 CA GLN A 65 -9.947 -9.388 -31.196 1.00 24.43 C ATOM 1021 C GLN A 65 -10.545 -10.176 -32.357 1.00 25.14 C ATOM 1022 O GLN A 65 -11.547 -10.877 -32.212 1.00 63.41 O ATOM 1023 CB GLN A 65 -9.961 -7.893 -31.519 1.00 62.12 C ATOM 1024 CG GLN A 65 -10.643 -7.048 -30.455 1.00 51.04 C ATOM 1025 CD GLN A 65 -10.995 -5.659 -30.950 1.00 51.14 C ATOM 1026 OE1 GLN A 65 -10.115 -4.851 -31.247 1.00 32.15 O ATOM 1027 NE2 GLN A 65 -12.289 -5.373 -31.041 1.00 31.24 N ATOM 0 H GLN A 65 -7.896 -9.081 -30.880 1.00 4.43 H new ATOM 0 HA GLN A 65 -10.553 -9.567 -30.308 1.00 24.43 H new ATOM 0 HB2 GLN A 65 -8.935 -7.547 -31.644 1.00 62.12 H new ATOM 0 HB3 GLN A 65 -10.467 -7.740 -32.472 1.00 62.12 H new ATOM 0 HG2 GLN A 65 -11.551 -7.552 -30.123 1.00 51.04 H new ATOM 0 HG3 GLN A 65 -9.988 -6.965 -29.587 1.00 51.04 H new ATOM 0 HE21 GLN A 65 -12.985 -6.073 -30.784 1.00 31.24 H new ATOM 0 HE22 GLN A 65 -12.586 -4.454 -31.368 1.00 31.24 H new ATOM 1036 N PRO A 66 -9.917 -10.062 -33.537 1.00 23.20 N ATOM 1037 CA PRO A 66 -10.369 -10.757 -34.744 1.00 34.23 C ATOM 1038 C PRO A 66 -10.150 -12.264 -34.663 1.00 21.33 C ATOM 1039 O PRO A 66 -10.769 -13.031 -35.400 1.00 55.50 O ATOM 1040 CB PRO A 66 -9.501 -10.149 -35.850 1.00 54.22 C ATOM 1041 CG PRO A 66 -8.273 -9.679 -35.151 1.00 65.42 C ATOM 1042 CD PRO A 66 -8.716 -9.245 -33.781 1.00 73.10 C ATOM 0 HA PRO A 66 -11.440 -10.634 -34.907 1.00 34.23 H new ATOM 0 HB2 PRO A 66 -9.263 -10.886 -36.617 1.00 54.22 H new ATOM 0 HB3 PRO A 66 -10.013 -9.326 -36.348 1.00 54.22 H new ATOM 0 HG2 PRO A 66 -7.531 -10.475 -35.087 1.00 65.42 H new ATOM 0 HG3 PRO A 66 -7.809 -8.854 -35.691 1.00 65.42 H new ATOM 0 HD2 PRO A 66 -7.946 -9.429 -33.032 1.00 73.10 H new ATOM 0 HD3 PRO A 66 -8.942 -8.179 -33.750 1.00 73.10 H new ATOM 1050 N SER A 67 -9.265 -12.680 -33.764 1.00 2.14 N ATOM 1051 CA SER A 67 -8.961 -14.096 -33.589 1.00 41.53 C ATOM 1052 C SER A 67 -9.744 -14.679 -32.417 1.00 45.32 C ATOM 1053 O SER A 67 -9.319 -15.653 -31.792 1.00 73.43 O ATOM 1054 CB SER A 67 -7.461 -14.294 -33.363 1.00 50.33 C ATOM 1055 OG SER A 67 -6.740 -14.148 -34.574 1.00 21.31 O ATOM 0 H SER A 67 -8.746 -12.057 -33.145 1.00 2.14 H new ATOM 0 HA SER A 67 -9.256 -14.620 -34.498 1.00 41.53 H new ATOM 0 HB2 SER A 67 -7.101 -13.570 -32.632 1.00 50.33 H new ATOM 0 HB3 SER A 67 -7.280 -15.285 -32.946 1.00 50.33 H new ATOM 0 HG SER A 67 -5.784 -14.277 -34.403 1.00 21.31 H new ATOM 1061 N LEU A 68 -10.891 -14.076 -32.121 1.00 32.14 N ATOM 1062 CA LEU A 68 -11.735 -14.534 -31.024 1.00 52.54 C ATOM 1063 C LEU A 68 -12.556 -15.751 -31.439 1.00 4.15 C ATOM 1064 O LEU A 68 -12.841 -16.626 -30.622 1.00 45.25 O ATOM 1065 CB LEU A 68 -12.667 -13.409 -30.567 1.00 20.44 C ATOM 1066 CG LEU A 68 -12.159 -12.544 -29.414 1.00 3.21 C ATOM 1067 CD1 LEU A 68 -13.094 -11.369 -29.175 1.00 72.13 C ATOM 1068 CD2 LEU A 68 -12.011 -13.376 -28.148 1.00 73.03 C ATOM 0 H LEU A 68 -11.257 -13.269 -32.626 1.00 32.14 H new ATOM 0 HA LEU A 68 -11.087 -14.821 -30.196 1.00 52.54 H new ATOM 0 HB2 LEU A 68 -12.867 -12.761 -31.420 1.00 20.44 H new ATOM 0 HB3 LEU A 68 -13.619 -13.850 -30.272 1.00 20.44 H new ATOM 0 HG LEU A 68 -11.179 -12.152 -29.684 1.00 3.21 H new ATOM 0 HD11 LEU A 68 -12.716 -10.765 -28.350 1.00 72.13 H new ATOM 0 HD12 LEU A 68 -13.149 -10.759 -30.076 1.00 72.13 H new ATOM 0 HD13 LEU A 68 -14.088 -11.740 -28.927 1.00 72.13 H new ATOM 0 HD21 LEU A 68 -11.648 -12.744 -27.337 1.00 73.03 H new ATOM 0 HD22 LEU A 68 -12.978 -13.797 -27.874 1.00 73.03 H new ATOM 0 HD23 LEU A 68 -11.300 -14.183 -28.324 1.00 73.03 H new ATOM 1080 N GLN A 69 -12.929 -15.801 -32.713 1.00 0.20 N ATOM 1081 CA GLN A 69 -13.714 -16.913 -33.236 1.00 62.15 C ATOM 1082 C GLN A 69 -12.812 -17.965 -33.872 1.00 72.41 C ATOM 1083 O GLN A 69 -13.015 -19.166 -33.689 1.00 73.34 O ATOM 1084 CB GLN A 69 -14.731 -16.408 -34.262 1.00 71.53 C ATOM 1085 CG GLN A 69 -15.623 -17.503 -34.824 1.00 43.31 C ATOM 1086 CD GLN A 69 -16.266 -17.114 -36.140 1.00 73.35 C ATOM 1087 OE1 GLN A 69 -15.638 -16.478 -36.987 1.00 33.13 O ATOM 1088 NE2 GLN A 69 -17.526 -17.495 -36.320 1.00 25.50 N ATOM 0 H GLN A 69 -12.701 -15.085 -33.402 1.00 0.20 H new ATOM 0 HA GLN A 69 -14.246 -17.373 -32.403 1.00 62.15 H new ATOM 0 HB2 GLN A 69 -15.355 -15.645 -33.797 1.00 71.53 H new ATOM 0 HB3 GLN A 69 -14.199 -15.928 -35.083 1.00 71.53 H new ATOM 0 HG2 GLN A 69 -15.034 -18.409 -34.966 1.00 43.31 H new ATOM 0 HG3 GLN A 69 -16.402 -17.739 -34.099 1.00 43.31 H new ATOM 0 HE21 GLN A 69 -18.009 -18.021 -35.591 1.00 25.50 H new ATOM 0 HE22 GLN A 69 -18.010 -17.262 -37.187 1.00 25.50 H new ATOM 1097 N THR A 70 -11.814 -17.507 -34.622 1.00 42.02 N ATOM 1098 CA THR A 70 -10.881 -18.409 -35.286 1.00 42.11 C ATOM 1099 C THR A 70 -9.846 -18.949 -34.306 1.00 13.13 C ATOM 1100 O THR A 70 -9.300 -20.034 -34.501 1.00 4.23 O ATOM 1101 CB THR A 70 -10.153 -17.707 -36.449 1.00 42.23 C ATOM 1102 OG1 THR A 70 -11.033 -16.775 -37.087 1.00 12.50 O ATOM 1103 CG2 THR A 70 -9.656 -18.722 -37.466 1.00 54.13 C ATOM 0 H THR A 70 -11.631 -16.517 -34.785 1.00 42.02 H new ATOM 0 HA THR A 70 -11.469 -19.237 -35.682 1.00 42.11 H new ATOM 0 HB THR A 70 -9.294 -17.173 -36.042 1.00 42.23 H new ATOM 0 HG1 THR A 70 -10.562 -16.332 -37.824 1.00 12.50 H new ATOM 0 HG21 THR A 70 -9.145 -18.204 -38.278 1.00 54.13 H new ATOM 0 HG22 THR A 70 -8.963 -19.411 -36.983 1.00 54.13 H new ATOM 0 HG23 THR A 70 -10.502 -19.280 -37.867 1.00 54.13 H new ATOM 1111 N GLY A 71 -9.582 -18.186 -33.250 1.00 62.14 N ATOM 1112 CA GLY A 71 -8.613 -18.606 -32.255 1.00 64.14 C ATOM 1113 C GLY A 71 -9.107 -19.771 -31.421 1.00 55.32 C ATOM 1114 O GLY A 71 -10.284 -20.128 -31.475 1.00 42.12 O ATOM 0 H GLY A 71 -10.022 -17.284 -33.066 1.00 62.14 H new ATOM 0 HA2 GLY A 71 -7.685 -18.887 -32.752 1.00 64.14 H new ATOM 0 HA3 GLY A 71 -8.382 -17.766 -31.600 1.00 64.14 H new ATOM 1118 N SER A 72 -8.205 -20.368 -30.648 1.00 15.05 N ATOM 1119 CA SER A 72 -8.554 -21.505 -29.804 1.00 52.41 C ATOM 1120 C SER A 72 -8.746 -21.066 -28.355 1.00 62.04 C ATOM 1121 O SER A 72 -8.731 -19.874 -28.050 1.00 42.24 O ATOM 1122 CB SER A 72 -7.468 -22.579 -29.883 1.00 54.52 C ATOM 1123 OG SER A 72 -6.480 -22.381 -28.887 1.00 14.30 O ATOM 0 H SER A 72 -7.227 -20.083 -30.589 1.00 15.05 H new ATOM 0 HA SER A 72 -9.493 -21.921 -30.168 1.00 52.41 H new ATOM 0 HB2 SER A 72 -7.918 -23.565 -29.762 1.00 54.52 H new ATOM 0 HB3 SER A 72 -7.004 -22.559 -30.869 1.00 54.52 H new ATOM 0 HG SER A 72 -5.799 -23.082 -28.958 1.00 14.30 H new ATOM 1129 N GLU A 73 -8.927 -22.039 -27.467 1.00 33.10 N ATOM 1130 CA GLU A 73 -9.124 -21.753 -26.051 1.00 24.33 C ATOM 1131 C GLU A 73 -7.939 -20.976 -25.483 1.00 30.34 C ATOM 1132 O GLU A 73 -8.108 -20.089 -24.648 1.00 14.12 O ATOM 1133 CB GLU A 73 -9.317 -23.054 -25.268 1.00 71.15 C ATOM 1134 CG GLU A 73 -8.186 -24.050 -25.454 1.00 11.53 C ATOM 1135 CD GLU A 73 -8.581 -25.460 -25.059 1.00 23.22 C ATOM 1136 OE1 GLU A 73 -9.795 -25.723 -24.936 1.00 32.12 O ATOM 1137 OE2 GLU A 73 -7.675 -26.300 -24.872 1.00 51.22 O ATOM 0 H GLU A 73 -8.941 -23.031 -27.703 1.00 33.10 H new ATOM 0 HA GLU A 73 -10.020 -21.140 -25.951 1.00 24.33 H new ATOM 0 HB2 GLU A 73 -9.412 -22.819 -24.208 1.00 71.15 H new ATOM 0 HB3 GLU A 73 -10.253 -23.519 -25.577 1.00 71.15 H new ATOM 0 HG2 GLU A 73 -7.869 -24.044 -26.497 1.00 11.53 H new ATOM 0 HG3 GLU A 73 -7.329 -23.736 -24.858 1.00 11.53 H new ATOM 1144 N GLU A 74 -6.739 -21.318 -25.944 1.00 14.12 N ATOM 1145 CA GLU A 74 -5.526 -20.655 -25.482 1.00 40.13 C ATOM 1146 C GLU A 74 -5.615 -19.147 -25.697 1.00 74.24 C ATOM 1147 O GLU A 74 -5.068 -18.363 -24.920 1.00 25.14 O ATOM 1148 CB GLU A 74 -4.302 -21.212 -26.211 1.00 1.33 C ATOM 1149 CG GLU A 74 -3.671 -22.407 -25.514 1.00 75.41 C ATOM 1150 CD GLU A 74 -2.668 -23.131 -26.392 1.00 51.22 C ATOM 1151 OE1 GLU A 74 -1.805 -22.453 -26.988 1.00 21.22 O ATOM 1152 OE2 GLU A 74 -2.745 -24.373 -26.482 1.00 11.53 O ATOM 0 H GLU A 74 -6.582 -22.050 -26.637 1.00 14.12 H new ATOM 0 HA GLU A 74 -5.423 -20.848 -24.414 1.00 40.13 H new ATOM 0 HB2 GLU A 74 -4.592 -21.502 -27.221 1.00 1.33 H new ATOM 0 HB3 GLU A 74 -3.556 -20.423 -26.308 1.00 1.33 H new ATOM 0 HG2 GLU A 74 -3.175 -22.072 -24.603 1.00 75.41 H new ATOM 0 HG3 GLU A 74 -4.454 -23.103 -25.213 1.00 75.41 H new ATOM 1159 N LEU A 75 -6.309 -18.746 -26.758 1.00 5.34 N ATOM 1160 CA LEU A 75 -6.471 -17.332 -27.077 1.00 5.32 C ATOM 1161 C LEU A 75 -7.567 -16.703 -26.223 1.00 60.03 C ATOM 1162 O LEU A 75 -7.458 -15.550 -25.805 1.00 52.02 O ATOM 1163 CB LEU A 75 -6.800 -17.158 -28.560 1.00 32.54 C ATOM 1164 CG LEU A 75 -6.489 -15.787 -29.160 1.00 53.13 C ATOM 1165 CD1 LEU A 75 -5.853 -15.937 -30.533 1.00 15.15 C ATOM 1166 CD2 LEU A 75 -7.753 -14.942 -29.245 1.00 30.43 C ATOM 0 H LEU A 75 -6.768 -19.381 -27.411 1.00 5.34 H new ATOM 0 HA LEU A 75 -5.531 -16.826 -26.858 1.00 5.32 H new ATOM 0 HB2 LEU A 75 -6.251 -17.912 -29.124 1.00 32.54 H new ATOM 0 HB3 LEU A 75 -7.861 -17.363 -28.703 1.00 32.54 H new ATOM 0 HG LEU A 75 -5.779 -15.279 -28.507 1.00 53.13 H new ATOM 0 HD11 LEU A 75 -5.639 -14.951 -30.944 1.00 15.15 H new ATOM 0 HD12 LEU A 75 -4.925 -16.503 -30.444 1.00 15.15 H new ATOM 0 HD13 LEU A 75 -6.538 -16.465 -31.196 1.00 15.15 H new ATOM 0 HD21 LEU A 75 -7.512 -13.970 -29.674 1.00 30.43 H new ATOM 0 HD22 LEU A 75 -8.486 -15.446 -29.875 1.00 30.43 H new ATOM 0 HD23 LEU A 75 -8.167 -14.805 -28.246 1.00 30.43 H new ATOM 1178 N ARG A 76 -8.623 -17.468 -25.967 1.00 11.33 N ATOM 1179 CA ARG A 76 -9.739 -16.986 -25.162 1.00 21.24 C ATOM 1180 C ARG A 76 -9.258 -16.512 -23.794 1.00 74.25 C ATOM 1181 O ARG A 76 -9.501 -15.371 -23.401 1.00 10.10 O ATOM 1182 CB ARG A 76 -10.786 -18.089 -24.992 1.00 74.11 C ATOM 1183 CG ARG A 76 -12.186 -17.668 -25.409 1.00 33.31 C ATOM 1184 CD ARG A 76 -13.166 -18.828 -25.322 1.00 5.43 C ATOM 1185 NE ARG A 76 -13.487 -19.169 -23.938 1.00 15.12 N ATOM 1186 CZ ARG A 76 -14.288 -18.441 -23.169 1.00 5.42 C ATOM 1187 NH1 ARG A 76 -14.847 -17.337 -23.645 1.00 14.02 N ATOM 1188 NH2 ARG A 76 -14.533 -18.817 -21.920 1.00 21.15 N ATOM 0 H ARG A 76 -8.729 -18.424 -26.305 1.00 11.33 H new ATOM 0 HA ARG A 76 -10.191 -16.141 -25.682 1.00 21.24 H new ATOM 0 HB2 ARG A 76 -10.486 -18.957 -25.580 1.00 74.11 H new ATOM 0 HB3 ARG A 76 -10.806 -18.402 -23.948 1.00 74.11 H new ATOM 0 HG2 ARG A 76 -12.527 -16.853 -24.770 1.00 33.31 H new ATOM 0 HG3 ARG A 76 -12.163 -17.285 -26.429 1.00 33.31 H new ATOM 0 HD2 ARG A 76 -14.082 -18.570 -25.854 1.00 5.43 H new ATOM 0 HD3 ARG A 76 -12.742 -19.699 -25.821 1.00 5.43 H new ATOM 0 HE ARG A 76 -13.073 -20.012 -23.541 1.00 15.12 H new ATOM 0 HH11 ARG A 76 -14.662 -17.045 -24.605 1.00 14.02 H new ATOM 0 HH12 ARG A 76 -15.462 -16.780 -23.052 1.00 14.02 H new ATOM 0 HH21 ARG A 76 -14.106 -19.666 -21.550 1.00 21.15 H new ATOM 0 HH22 ARG A 76 -15.148 -18.257 -21.330 1.00 21.15 H new ATOM 1202 N SER A 77 -8.576 -17.396 -23.073 1.00 25.40 N ATOM 1203 CA SER A 77 -8.065 -17.069 -21.748 1.00 43.01 C ATOM 1204 C SER A 77 -7.253 -15.777 -21.781 1.00 22.04 C ATOM 1205 O SER A 77 -7.357 -14.940 -20.884 1.00 0.34 O ATOM 1206 CB SER A 77 -7.201 -18.214 -21.214 1.00 54.24 C ATOM 1207 OG SER A 77 -7.985 -19.155 -20.501 1.00 73.54 O ATOM 0 H SER A 77 -8.365 -18.344 -23.385 1.00 25.40 H new ATOM 0 HA SER A 77 -8.917 -16.925 -21.083 1.00 43.01 H new ATOM 0 HB2 SER A 77 -6.696 -18.710 -22.043 1.00 54.24 H new ATOM 0 HB3 SER A 77 -6.425 -17.814 -20.562 1.00 54.24 H new ATOM 0 HG SER A 77 -7.410 -19.877 -20.172 1.00 73.54 H new ATOM 1213 N LEU A 78 -6.443 -15.622 -22.823 1.00 2.44 N ATOM 1214 CA LEU A 78 -5.611 -14.433 -22.976 1.00 11.34 C ATOM 1215 C LEU A 78 -6.464 -13.169 -22.976 1.00 10.50 C ATOM 1216 O LEU A 78 -6.263 -12.272 -22.158 1.00 71.34 O ATOM 1217 CB LEU A 78 -4.802 -14.517 -24.272 1.00 43.11 C ATOM 1218 CG LEU A 78 -3.324 -14.878 -24.118 1.00 44.22 C ATOM 1219 CD1 LEU A 78 -2.621 -13.876 -23.215 1.00 41.01 C ATOM 1220 CD2 LEU A 78 -3.174 -16.289 -23.569 1.00 40.00 C ATOM 0 H LEU A 78 -6.345 -16.305 -23.574 1.00 2.44 H new ATOM 0 HA LEU A 78 -4.926 -14.386 -22.130 1.00 11.34 H new ATOM 0 HB2 LEU A 78 -5.270 -15.256 -24.922 1.00 43.11 H new ATOM 0 HB3 LEU A 78 -4.870 -13.556 -24.782 1.00 43.11 H new ATOM 0 HG LEU A 78 -2.856 -14.840 -25.102 1.00 44.22 H new ATOM 0 HD11 LEU A 78 -1.570 -14.149 -23.117 1.00 41.01 H new ATOM 0 HD12 LEU A 78 -2.698 -12.879 -23.649 1.00 41.01 H new ATOM 0 HD13 LEU A 78 -3.090 -13.881 -22.231 1.00 41.01 H new ATOM 0 HD21 LEU A 78 -2.116 -16.529 -23.466 1.00 40.00 H new ATOM 0 HD22 LEU A 78 -3.657 -16.353 -22.594 1.00 40.00 H new ATOM 0 HD23 LEU A 78 -3.642 -16.997 -24.253 1.00 40.00 H new ATOM 1232 N TYR A 79 -7.420 -13.107 -23.897 1.00 61.23 N ATOM 1233 CA TYR A 79 -8.304 -11.952 -24.004 1.00 52.34 C ATOM 1234 C TYR A 79 -8.941 -11.628 -22.656 1.00 4.10 C ATOM 1235 O TYR A 79 -9.247 -10.472 -22.363 1.00 30.13 O ATOM 1236 CB TYR A 79 -9.393 -12.212 -25.046 1.00 61.04 C ATOM 1237 CG TYR A 79 -9.880 -10.959 -25.738 1.00 33.01 C ATOM 1238 CD1 TYR A 79 -9.020 -10.195 -26.519 1.00 41.23 C ATOM 1239 CD2 TYR A 79 -11.198 -10.539 -25.612 1.00 62.23 C ATOM 1240 CE1 TYR A 79 -9.460 -9.050 -27.153 1.00 72.15 C ATOM 1241 CE2 TYR A 79 -11.647 -9.395 -26.243 1.00 63.30 C ATOM 1242 CZ TYR A 79 -10.775 -8.654 -27.013 1.00 64.14 C ATOM 1243 OH TYR A 79 -11.217 -7.513 -27.642 1.00 40.24 O ATOM 0 H TYR A 79 -7.602 -13.843 -24.580 1.00 61.23 H new ATOM 0 HA TYR A 79 -7.707 -11.096 -24.319 1.00 52.34 H new ATOM 0 HB2 TYR A 79 -9.010 -12.905 -25.795 1.00 61.04 H new ATOM 0 HB3 TYR A 79 -10.238 -12.701 -24.562 1.00 61.04 H new ATOM 0 HD1 TYR A 79 -7.991 -10.502 -26.632 1.00 41.23 H new ATOM 0 HD2 TYR A 79 -11.884 -11.117 -25.010 1.00 62.23 H new ATOM 0 HE1 TYR A 79 -8.779 -8.467 -27.755 1.00 72.15 H new ATOM 0 HE2 TYR A 79 -12.675 -9.083 -26.134 1.00 63.30 H new ATOM 0 HH TYR A 79 -12.167 -7.376 -27.442 1.00 40.24 H new ATOM 1253 N ASN A 80 -9.138 -12.657 -21.839 1.00 0.51 N ATOM 1254 CA ASN A 80 -9.739 -12.483 -20.521 1.00 22.14 C ATOM 1255 C ASN A 80 -8.805 -11.711 -19.595 1.00 3.14 C ATOM 1256 O ASN A 80 -9.192 -10.706 -18.999 1.00 53.02 O ATOM 1257 CB ASN A 80 -10.075 -13.844 -19.908 1.00 23.11 C ATOM 1258 CG ASN A 80 -11.568 -14.108 -19.868 1.00 44.24 C ATOM 1259 OD1 ASN A 80 -12.117 -14.470 -18.827 1.00 12.22 O ATOM 1260 ND2 ASN A 80 -12.232 -13.926 -21.003 1.00 63.31 N ATOM 0 H ASN A 80 -8.890 -13.620 -22.066 1.00 0.51 H new ATOM 0 HA ASN A 80 -10.658 -11.909 -20.640 1.00 22.14 H new ATOM 0 HB2 ASN A 80 -9.585 -14.629 -20.484 1.00 23.11 H new ATOM 0 HB3 ASN A 80 -9.673 -13.893 -18.896 1.00 23.11 H new ATOM 0 HD21 ASN A 80 -13.239 -14.087 -21.036 1.00 63.31 H new ATOM 0 HD22 ASN A 80 -11.736 -13.625 -21.842 1.00 63.31 H new ATOM 1267 N THR A 81 -7.569 -12.189 -19.478 1.00 61.52 N ATOM 1268 CA THR A 81 -6.579 -11.544 -18.625 1.00 21.33 C ATOM 1269 C THR A 81 -6.169 -10.187 -19.185 1.00 44.45 C ATOM 1270 O THR A 81 -6.211 -9.177 -18.481 1.00 44.42 O ATOM 1271 CB THR A 81 -5.321 -12.420 -18.463 1.00 35.23 C ATOM 1272 OG1 THR A 81 -5.689 -13.722 -17.995 1.00 24.32 O ATOM 1273 CG2 THR A 81 -4.339 -11.784 -17.492 1.00 73.14 C ATOM 0 H THR A 81 -7.231 -13.020 -19.963 1.00 61.52 H new ATOM 0 HA THR A 81 -7.046 -11.405 -17.650 1.00 21.33 H new ATOM 0 HB THR A 81 -4.838 -12.507 -19.436 1.00 35.23 H new ATOM 0 HG1 THR A 81 -4.885 -14.273 -17.896 1.00 24.32 H new ATOM 0 HG21 THR A 81 -3.460 -12.421 -17.394 1.00 73.14 H new ATOM 0 HG22 THR A 81 -4.039 -10.806 -17.867 1.00 73.14 H new ATOM 0 HG23 THR A 81 -4.814 -11.669 -16.518 1.00 73.14 H new ATOM 1281 N ILE A 82 -5.776 -10.170 -20.453 1.00 73.44 N ATOM 1282 CA ILE A 82 -5.362 -8.934 -21.107 1.00 71.13 C ATOM 1283 C ILE A 82 -6.426 -7.851 -20.961 1.00 31.33 C ATOM 1284 O ILE A 82 -6.116 -6.660 -20.950 1.00 44.33 O ATOM 1285 CB ILE A 82 -5.075 -9.158 -22.604 1.00 61.14 C ATOM 1286 CG1 ILE A 82 -3.986 -10.217 -22.784 1.00 44.13 C ATOM 1287 CG2 ILE A 82 -4.666 -7.851 -23.265 1.00 32.32 C ATOM 1288 CD1 ILE A 82 -3.944 -10.810 -24.175 1.00 44.20 C ATOM 0 H ILE A 82 -5.735 -10.997 -21.049 1.00 73.44 H new ATOM 0 HA ILE A 82 -4.446 -8.608 -20.614 1.00 71.13 H new ATOM 0 HB ILE A 82 -5.985 -9.516 -23.084 1.00 61.14 H new ATOM 0 HG12 ILE A 82 -3.017 -9.772 -22.558 1.00 44.13 H new ATOM 0 HG13 ILE A 82 -4.146 -11.017 -22.061 1.00 44.13 H new ATOM 0 HG21 ILE A 82 -4.466 -8.025 -24.322 1.00 32.32 H new ATOM 0 HG22 ILE A 82 -5.471 -7.124 -23.163 1.00 32.32 H new ATOM 0 HG23 ILE A 82 -3.766 -7.466 -22.785 1.00 32.32 H new ATOM 0 HD11 ILE A 82 -3.148 -11.553 -24.230 1.00 44.20 H new ATOM 0 HD12 ILE A 82 -4.900 -11.285 -24.397 1.00 44.20 H new ATOM 0 HD13 ILE A 82 -3.754 -10.020 -24.902 1.00 44.20 H new ATOM 1300 N ALA A 83 -7.681 -8.274 -20.848 1.00 72.21 N ATOM 1301 CA ALA A 83 -8.791 -7.341 -20.699 1.00 20.42 C ATOM 1302 C ALA A 83 -8.774 -6.683 -19.323 1.00 22.33 C ATOM 1303 O ALA A 83 -8.604 -5.470 -19.205 1.00 13.22 O ATOM 1304 CB ALA A 83 -10.114 -8.054 -20.929 1.00 35.12 C ATOM 0 H ALA A 83 -7.954 -9.257 -20.857 1.00 72.21 H new ATOM 0 HA ALA A 83 -8.678 -6.558 -21.449 1.00 20.42 H new ATOM 0 HB1 ALA A 83 -10.934 -7.345 -20.815 1.00 35.12 H new ATOM 0 HB2 ALA A 83 -10.132 -8.471 -21.936 1.00 35.12 H new ATOM 0 HB3 ALA A 83 -10.225 -8.858 -20.202 1.00 35.12 H new ATOM 1310 N VAL A 84 -8.952 -7.493 -18.283 1.00 74.40 N ATOM 1311 CA VAL A 84 -8.957 -6.990 -16.915 1.00 44.15 C ATOM 1312 C VAL A 84 -7.714 -6.153 -16.632 1.00 21.33 C ATOM 1313 O VAL A 84 -7.778 -5.143 -15.931 1.00 41.31 O ATOM 1314 CB VAL A 84 -9.031 -8.140 -15.894 1.00 14.31 C ATOM 1315 CG1 VAL A 84 -9.014 -7.597 -14.474 1.00 52.42 C ATOM 1316 CG2 VAL A 84 -10.271 -8.987 -16.135 1.00 50.11 C ATOM 0 H VAL A 84 -9.095 -8.500 -18.363 1.00 74.40 H new ATOM 0 HA VAL A 84 -9.844 -6.365 -16.812 1.00 44.15 H new ATOM 0 HB VAL A 84 -8.154 -8.774 -16.024 1.00 14.31 H new ATOM 0 HG11 VAL A 84 -9.067 -8.425 -13.767 1.00 52.42 H new ATOM 0 HG12 VAL A 84 -8.093 -7.038 -14.309 1.00 52.42 H new ATOM 0 HG13 VAL A 84 -9.870 -6.938 -14.326 1.00 52.42 H new ATOM 0 HG21 VAL A 84 -10.307 -9.795 -15.404 1.00 50.11 H new ATOM 0 HG22 VAL A 84 -11.161 -8.366 -16.034 1.00 50.11 H new ATOM 0 HG23 VAL A 84 -10.235 -9.408 -17.140 1.00 50.11 H new ATOM 1326 N LEU A 85 -6.583 -6.580 -17.183 1.00 33.43 N ATOM 1327 CA LEU A 85 -5.323 -5.870 -16.991 1.00 34.00 C ATOM 1328 C LEU A 85 -5.345 -4.520 -17.700 1.00 41.31 C ATOM 1329 O LEU A 85 -5.080 -3.483 -17.092 1.00 65.42 O ATOM 1330 CB LEU A 85 -4.156 -6.712 -17.510 1.00 30.13 C ATOM 1331 CG LEU A 85 -2.842 -6.585 -16.740 1.00 43.13 C ATOM 1332 CD1 LEU A 85 -2.422 -7.933 -16.174 1.00 23.41 C ATOM 1333 CD2 LEU A 85 -1.751 -6.018 -17.636 1.00 31.43 C ATOM 0 H LEU A 85 -6.513 -7.414 -17.766 1.00 33.43 H new ATOM 0 HA LEU A 85 -5.192 -5.697 -15.923 1.00 34.00 H new ATOM 0 HB2 LEU A 85 -4.458 -7.759 -17.503 1.00 30.13 H new ATOM 0 HB3 LEU A 85 -3.972 -6.440 -18.550 1.00 30.13 H new ATOM 0 HG LEU A 85 -2.996 -5.897 -15.909 1.00 43.13 H new ATOM 0 HD11 LEU A 85 -1.484 -7.823 -15.629 1.00 23.41 H new ATOM 0 HD12 LEU A 85 -3.194 -8.300 -15.497 1.00 23.41 H new ATOM 0 HD13 LEU A 85 -2.286 -8.644 -16.989 1.00 23.41 H new ATOM 0 HD21 LEU A 85 -0.823 -5.935 -17.071 1.00 31.43 H new ATOM 0 HD22 LEU A 85 -1.599 -6.681 -18.488 1.00 31.43 H new ATOM 0 HD23 LEU A 85 -2.049 -5.032 -17.992 1.00 31.43 H new ATOM 1345 N TYR A 86 -5.666 -4.540 -18.989 1.00 70.02 N ATOM 1346 CA TYR A 86 -5.723 -3.317 -19.781 1.00 61.35 C ATOM 1347 C TYR A 86 -6.603 -2.270 -19.105 1.00 45.31 C ATOM 1348 O TYR A 86 -6.211 -1.111 -18.965 1.00 74.12 O ATOM 1349 CB TYR A 86 -6.255 -3.617 -21.184 1.00 11.00 C ATOM 1350 CG TYR A 86 -6.472 -2.381 -22.027 1.00 22.13 C ATOM 1351 CD1 TYR A 86 -5.402 -1.730 -22.628 1.00 42.04 C ATOM 1352 CD2 TYR A 86 -7.746 -1.864 -22.223 1.00 14.22 C ATOM 1353 CE1 TYR A 86 -5.595 -0.600 -23.398 1.00 62.33 C ATOM 1354 CE2 TYR A 86 -7.949 -0.736 -22.993 1.00 40.01 C ATOM 1355 CZ TYR A 86 -6.870 -0.106 -23.578 1.00 12.45 C ATOM 1356 OH TYR A 86 -7.067 1.018 -24.346 1.00 52.31 O ATOM 0 H TYR A 86 -5.891 -5.389 -19.507 1.00 70.02 H new ATOM 0 HA TYR A 86 -4.711 -2.919 -19.860 1.00 61.35 H new ATOM 0 HB2 TYR A 86 -5.554 -4.277 -21.696 1.00 11.00 H new ATOM 0 HB3 TYR A 86 -7.197 -4.158 -21.098 1.00 11.00 H new ATOM 0 HD1 TYR A 86 -4.402 -2.114 -22.491 1.00 42.04 H new ATOM 0 HD2 TYR A 86 -8.593 -2.353 -21.765 1.00 14.22 H new ATOM 0 HE1 TYR A 86 -4.752 -0.106 -23.857 1.00 62.33 H new ATOM 0 HE2 TYR A 86 -8.947 -0.349 -23.137 1.00 40.01 H new ATOM 0 HH TYR A 86 -8.023 1.233 -24.372 1.00 52.31 H new ATOM 1366 N CYS A 87 -7.792 -2.687 -18.686 1.00 12.34 N ATOM 1367 CA CYS A 87 -8.729 -1.787 -18.024 1.00 74.01 C ATOM 1368 C CYS A 87 -8.063 -1.079 -16.848 1.00 52.53 C ATOM 1369 O CYS A 87 -8.373 0.074 -16.549 1.00 25.14 O ATOM 1370 CB CYS A 87 -9.957 -2.560 -17.542 1.00 5.34 C ATOM 1371 SG CYS A 87 -11.214 -2.818 -18.815 1.00 20.05 S ATOM 0 H CYS A 87 -8.130 -3.643 -18.793 1.00 12.34 H new ATOM 0 HA CYS A 87 -9.044 -1.034 -18.746 1.00 74.01 H new ATOM 0 HB2 CYS A 87 -9.636 -3.530 -17.162 1.00 5.34 H new ATOM 0 HB3 CYS A 87 -10.406 -2.023 -16.707 1.00 5.34 H new ATOM 0 HG CYS A 87 -12.295 -3.290 -18.268 1.00 20.05 H new ATOM 1377 N VAL A 88 -7.150 -1.779 -16.183 1.00 13.33 N ATOM 1378 CA VAL A 88 -6.441 -1.219 -15.038 1.00 72.43 C ATOM 1379 C VAL A 88 -5.489 -0.110 -15.472 1.00 63.43 C ATOM 1380 O VAL A 88 -5.439 0.957 -14.857 1.00 1.15 O ATOM 1381 CB VAL A 88 -5.644 -2.301 -14.288 1.00 64.00 C ATOM 1382 CG1 VAL A 88 -4.969 -1.711 -13.058 1.00 74.24 C ATOM 1383 CG2 VAL A 88 -6.551 -3.460 -13.903 1.00 62.53 C ATOM 0 H VAL A 88 -6.884 -2.735 -16.417 1.00 13.33 H new ATOM 0 HA VAL A 88 -7.195 -0.806 -14.369 1.00 72.43 H new ATOM 0 HB VAL A 88 -4.868 -2.682 -14.952 1.00 64.00 H new ATOM 0 HG11 VAL A 88 -4.410 -2.491 -12.540 1.00 74.24 H new ATOM 0 HG12 VAL A 88 -4.287 -0.917 -13.363 1.00 74.24 H new ATOM 0 HG13 VAL A 88 -5.726 -1.302 -12.389 1.00 74.24 H new ATOM 0 HG21 VAL A 88 -5.971 -4.216 -13.374 1.00 62.53 H new ATOM 0 HG22 VAL A 88 -7.350 -3.097 -13.257 1.00 62.53 H new ATOM 0 HG23 VAL A 88 -6.983 -3.898 -14.803 1.00 62.53 H new ATOM 1393 N HIS A 89 -4.733 -0.367 -16.535 1.00 4.22 N ATOM 1394 CA HIS A 89 -3.781 0.609 -17.052 1.00 63.22 C ATOM 1395 C HIS A 89 -4.508 1.824 -17.624 1.00 2.14 C ATOM 1396 O HIS A 89 -3.964 2.920 -17.492 1.00 33.12 O ATOM 1397 CB HIS A 89 -2.901 -0.025 -18.129 1.00 11.15 C ATOM 1398 CG HIS A 89 -1.943 -1.046 -17.595 1.00 11.23 C ATOM 1399 ND1 HIS A 89 -1.465 -1.026 -16.302 1.00 72.13 N ATOM 1400 CD2 HIS A 89 -1.377 -2.123 -18.186 1.00 34.45 C ATOM 1401 CE1 HIS A 89 -0.645 -2.045 -16.122 1.00 13.21 C ATOM 1402 NE2 HIS A 89 -0.574 -2.727 -17.252 1.00 44.42 N ATOM 0 H HIS A 89 -4.762 -1.244 -17.055 1.00 4.22 H new ATOM 0 HA HIS A 89 -3.150 0.938 -16.226 1.00 63.22 H new ATOM 0 HB2 HIS A 89 -3.539 -0.494 -18.878 1.00 11.15 H new ATOM 0 HB3 HIS A 89 -2.338 0.759 -18.635 1.00 11.15 H new ATOM 0 HD1 HIS A 89 -1.707 -0.332 -15.595 1.00 72.13 H new ATOM 0 HD2 HIS A 89 -1.529 -2.447 -19.205 1.00 34.45 H new ATOM 0 HE1 HIS A 89 -0.121 -2.281 -15.207 1.00 13.21 H new ATOM 1411 N GLN A 90 -5.679 1.664 -18.231 1.00 31.32 N ATOM 1412 CA GLN A 90 -6.408 2.795 -18.792 1.00 33.31 C ATOM 1413 C GLN A 90 -7.094 3.601 -17.694 1.00 0.11 C ATOM 1414 O GLN A 90 -6.665 4.705 -17.361 1.00 64.42 O ATOM 1415 CB GLN A 90 -7.445 2.308 -19.807 1.00 5.33 C ATOM 1416 CG GLN A 90 -7.083 2.629 -21.248 1.00 54.30 C ATOM 1417 CD GLN A 90 -7.639 3.964 -21.706 1.00 5.41 C ATOM 1418 OE1 GLN A 90 -7.647 4.937 -20.951 1.00 71.00 O ATOM 1419 NE2 GLN A 90 -8.106 4.017 -22.948 1.00 25.11 N ATOM 0 H GLN A 90 -6.143 0.763 -18.347 1.00 31.32 H new ATOM 0 HA GLN A 90 -5.691 3.442 -19.297 1.00 33.31 H new ATOM 0 HB2 GLN A 90 -7.565 1.230 -19.703 1.00 5.33 H new ATOM 0 HB3 GLN A 90 -8.409 2.760 -19.574 1.00 5.33 H new ATOM 0 HG2 GLN A 90 -5.998 2.636 -21.353 1.00 54.30 H new ATOM 0 HG3 GLN A 90 -7.461 1.840 -21.898 1.00 54.30 H new ATOM 0 HE21 GLN A 90 -8.079 3.186 -23.539 1.00 25.11 H new ATOM 0 HE22 GLN A 90 -8.491 4.889 -23.311 1.00 25.11 H new ATOM 1428 N ARG A 91 -8.161 3.040 -17.135 1.00 10.15 N ATOM 1429 CA ARG A 91 -8.907 3.707 -16.074 1.00 31.14 C ATOM 1430 C ARG A 91 -10.070 2.840 -15.600 1.00 20.21 C ATOM 1431 O ARG A 91 -10.411 2.836 -14.416 1.00 71.43 O ATOM 1432 CB ARG A 91 -9.431 5.058 -16.562 1.00 71.43 C ATOM 1433 CG ARG A 91 -8.984 6.231 -15.704 1.00 32.33 C ATOM 1434 CD ARG A 91 -8.722 7.470 -16.546 1.00 74.25 C ATOM 1435 NE ARG A 91 -8.604 8.674 -15.727 1.00 21.12 N ATOM 1436 CZ ARG A 91 -8.203 9.848 -16.200 1.00 65.30 C ATOM 1437 NH1 ARG A 91 -7.882 9.976 -17.480 1.00 42.44 N ATOM 1438 NH2 ARG A 91 -8.121 10.897 -15.391 1.00 22.01 N ATOM 0 H ARG A 91 -8.528 2.126 -17.399 1.00 10.15 H new ATOM 0 HA ARG A 91 -8.231 3.869 -15.235 1.00 31.14 H new ATOM 0 HB2 ARG A 91 -9.096 5.220 -17.586 1.00 71.43 H new ATOM 0 HB3 ARG A 91 -10.520 5.029 -16.584 1.00 71.43 H new ATOM 0 HG2 ARG A 91 -9.749 6.451 -14.960 1.00 32.33 H new ATOM 0 HG3 ARG A 91 -8.079 5.961 -15.160 1.00 32.33 H new ATOM 0 HD2 ARG A 91 -7.806 7.331 -17.120 1.00 74.25 H new ATOM 0 HD3 ARG A 91 -9.532 7.598 -17.264 1.00 74.25 H new ATOM 0 HE ARG A 91 -8.843 8.609 -14.737 1.00 21.12 H new ATOM 0 HH11 ARG A 91 -7.943 9.171 -18.104 1.00 42.44 H new ATOM 0 HH12 ARG A 91 -7.574 10.879 -17.841 1.00 42.44 H new ATOM 0 HH21 ARG A 91 -8.366 10.801 -14.406 1.00 22.01 H new ATOM 0 HH22 ARG A 91 -7.813 11.799 -15.755 1.00 22.01 H new ATOM 1452 N ILE A 92 -10.673 2.108 -16.529 1.00 72.21 N ATOM 1453 CA ILE A 92 -11.797 1.238 -16.206 1.00 63.12 C ATOM 1454 C ILE A 92 -11.460 0.316 -15.039 1.00 63.45 C ATOM 1455 O ILE A 92 -10.457 -0.399 -15.068 1.00 14.00 O ATOM 1456 CB ILE A 92 -12.214 0.384 -17.417 1.00 11.15 C ATOM 1457 CG1 ILE A 92 -12.556 1.280 -18.609 1.00 5.14 C ATOM 1458 CG2 ILE A 92 -13.397 -0.503 -17.058 1.00 2.50 C ATOM 1459 CD1 ILE A 92 -11.695 1.023 -19.825 1.00 61.32 C ATOM 0 H ILE A 92 -10.402 2.100 -17.512 1.00 72.21 H new ATOM 0 HA ILE A 92 -12.628 1.886 -15.926 1.00 63.12 H new ATOM 0 HB ILE A 92 -11.377 -0.255 -17.696 1.00 11.15 H new ATOM 0 HG12 ILE A 92 -13.602 1.131 -18.877 1.00 5.14 H new ATOM 0 HG13 ILE A 92 -12.448 2.323 -18.312 1.00 5.14 H new ATOM 0 HG21 ILE A 92 -13.680 -1.101 -17.925 1.00 2.50 H new ATOM 0 HG22 ILE A 92 -13.120 -1.164 -16.236 1.00 2.50 H new ATOM 0 HG23 ILE A 92 -14.239 0.119 -16.755 1.00 2.50 H new ATOM 0 HD11 ILE A 92 -11.994 1.694 -20.631 1.00 61.32 H new ATOM 0 HD12 ILE A 92 -10.649 1.200 -19.574 1.00 61.32 H new ATOM 0 HD13 ILE A 92 -11.821 -0.010 -20.148 1.00 61.32 H new ATOM 1471 N ASP A 93 -12.304 0.337 -14.013 1.00 30.44 N ATOM 1472 CA ASP A 93 -12.097 -0.500 -12.836 1.00 72.34 C ATOM 1473 C ASP A 93 -13.223 -1.518 -12.689 1.00 43.05 C ATOM 1474 O ASP A 93 -13.935 -1.530 -11.685 1.00 12.42 O ATOM 1475 CB ASP A 93 -12.007 0.366 -11.579 1.00 11.53 C ATOM 1476 CG ASP A 93 -11.245 -0.317 -10.460 1.00 61.43 C ATOM 1477 OD1 ASP A 93 -10.722 -1.427 -10.690 1.00 10.02 O ATOM 1478 OD2 ASP A 93 -11.172 0.259 -9.354 1.00 11.01 O ATOM 0 H ASP A 93 -13.137 0.924 -13.972 1.00 30.44 H new ATOM 0 HA ASP A 93 -11.159 -1.040 -12.964 1.00 72.34 H new ATOM 0 HB2 ASP A 93 -11.518 1.309 -11.825 1.00 11.53 H new ATOM 0 HB3 ASP A 93 -13.013 0.608 -11.235 1.00 11.53 H new ATOM 1483 N VAL A 94 -13.381 -2.369 -13.698 1.00 22.21 N ATOM 1484 CA VAL A 94 -14.420 -3.391 -13.680 1.00 54.40 C ATOM 1485 C VAL A 94 -14.264 -4.315 -12.478 1.00 51.45 C ATOM 1486 O VAL A 94 -13.190 -4.402 -11.884 1.00 24.00 O ATOM 1487 CB VAL A 94 -14.399 -4.236 -14.968 1.00 24.41 C ATOM 1488 CG1 VAL A 94 -14.607 -3.353 -16.190 1.00 4.12 C ATOM 1489 CG2 VAL A 94 -13.093 -5.009 -15.076 1.00 43.00 C ATOM 0 H VAL A 94 -12.802 -2.371 -14.538 1.00 22.21 H new ATOM 0 HA VAL A 94 -15.374 -2.869 -13.611 1.00 54.40 H new ATOM 0 HB VAL A 94 -15.218 -4.954 -14.924 1.00 24.41 H new ATOM 0 HG11 VAL A 94 -14.589 -3.967 -17.090 1.00 4.12 H new ATOM 0 HG12 VAL A 94 -15.570 -2.848 -16.114 1.00 4.12 H new ATOM 0 HG13 VAL A 94 -13.811 -2.610 -16.242 1.00 4.12 H new ATOM 0 HG21 VAL A 94 -13.095 -5.601 -15.992 1.00 43.00 H new ATOM 0 HG22 VAL A 94 -12.257 -4.310 -15.098 1.00 43.00 H new ATOM 0 HG23 VAL A 94 -12.990 -5.671 -14.216 1.00 43.00 H new ATOM 1499 N LYS A 95 -15.344 -5.002 -12.123 1.00 2.44 N ATOM 1500 CA LYS A 95 -15.328 -5.922 -10.990 1.00 35.22 C ATOM 1501 C LYS A 95 -15.000 -7.341 -11.446 1.00 72.25 C ATOM 1502 O LYS A 95 -14.435 -8.131 -10.690 1.00 72.24 O ATOM 1503 CB LYS A 95 -16.680 -5.904 -10.275 1.00 2.24 C ATOM 1504 CG LYS A 95 -16.579 -5.595 -8.791 1.00 71.12 C ATOM 1505 CD LYS A 95 -17.523 -4.474 -8.389 1.00 1.32 C ATOM 1506 CE LYS A 95 -18.961 -4.960 -8.306 1.00 13.53 C ATOM 1507 NZ LYS A 95 -19.932 -3.883 -8.643 1.00 75.41 N ATOM 0 H LYS A 95 -16.242 -4.940 -12.603 1.00 2.44 H new ATOM 0 HA LYS A 95 -14.553 -5.594 -10.297 1.00 35.22 H new ATOM 0 HB2 LYS A 95 -17.323 -5.162 -10.749 1.00 2.24 H new ATOM 0 HB3 LYS A 95 -17.163 -6.873 -10.404 1.00 2.24 H new ATOM 0 HG2 LYS A 95 -16.811 -6.491 -8.215 1.00 71.12 H new ATOM 0 HG3 LYS A 95 -15.555 -5.315 -8.546 1.00 71.12 H new ATOM 0 HD2 LYS A 95 -17.218 -4.069 -7.424 1.00 1.32 H new ATOM 0 HD3 LYS A 95 -17.454 -3.661 -9.112 1.00 1.32 H new ATOM 0 HE2 LYS A 95 -19.100 -5.800 -8.987 1.00 13.53 H new ATOM 0 HE3 LYS A 95 -19.162 -5.328 -7.300 1.00 13.53 H new ATOM 0 HZ1 LYS A 95 -20.901 -4.255 -8.575 1.00 75.41 H new ATOM 0 HZ2 LYS A 95 -19.817 -3.092 -7.978 1.00 75.41 H new ATOM 0 HZ3 LYS A 95 -19.757 -3.549 -9.612 1.00 75.41 H new ATOM 1521 N ASP A 96 -15.357 -7.655 -12.687 1.00 2.31 N ATOM 1522 CA ASP A 96 -15.099 -8.978 -13.244 1.00 1.42 C ATOM 1523 C ASP A 96 -14.495 -8.871 -14.641 1.00 51.32 C ATOM 1524 O ASP A 96 -14.254 -7.772 -15.142 1.00 54.03 O ATOM 1525 CB ASP A 96 -16.391 -9.795 -13.295 1.00 24.11 C ATOM 1526 CG ASP A 96 -17.588 -8.961 -13.705 1.00 63.32 C ATOM 1527 OD1 ASP A 96 -17.723 -8.670 -14.912 1.00 40.13 O ATOM 1528 OD2 ASP A 96 -18.390 -8.599 -12.819 1.00 73.12 O ATOM 0 H ASP A 96 -15.825 -7.012 -13.326 1.00 2.31 H new ATOM 0 HA ASP A 96 -14.384 -9.484 -12.596 1.00 1.42 H new ATOM 0 HB2 ASP A 96 -16.269 -10.619 -13.998 1.00 24.11 H new ATOM 0 HB3 ASP A 96 -16.577 -10.236 -12.316 1.00 24.11 H new ATOM 1533 N THR A 97 -14.253 -10.019 -15.265 1.00 15.05 N ATOM 1534 CA THR A 97 -13.676 -10.054 -16.603 1.00 10.12 C ATOM 1535 C THR A 97 -14.727 -9.748 -17.664 1.00 11.24 C ATOM 1536 O THR A 97 -14.407 -9.259 -18.747 1.00 62.22 O ATOM 1537 CB THR A 97 -13.042 -11.426 -16.905 1.00 35.44 C ATOM 1538 OG1 THR A 97 -12.144 -11.794 -15.852 1.00 73.23 O ATOM 1539 CG2 THR A 97 -12.293 -11.396 -18.229 1.00 73.01 C ATOM 0 H THR A 97 -14.448 -10.937 -14.865 1.00 15.05 H new ATOM 0 HA THR A 97 -12.901 -9.288 -16.633 1.00 10.12 H new ATOM 0 HB THR A 97 -13.842 -12.163 -16.974 1.00 35.44 H new ATOM 0 HG1 THR A 97 -12.564 -11.613 -14.985 1.00 73.23 H new ATOM 0 HG21 THR A 97 -11.854 -12.375 -18.421 1.00 73.01 H new ATOM 0 HG22 THR A 97 -12.985 -11.145 -19.033 1.00 73.01 H new ATOM 0 HG23 THR A 97 -11.503 -10.647 -18.183 1.00 73.01 H new ATOM 1547 N LYS A 98 -15.983 -10.039 -17.346 1.00 40.33 N ATOM 1548 CA LYS A 98 -17.084 -9.794 -18.270 1.00 62.41 C ATOM 1549 C LYS A 98 -17.272 -8.298 -18.507 1.00 41.40 C ATOM 1550 O LYS A 98 -17.291 -7.839 -19.648 1.00 61.11 O ATOM 1551 CB LYS A 98 -18.379 -10.402 -17.728 1.00 50.20 C ATOM 1552 CG LYS A 98 -19.570 -10.224 -18.654 1.00 25.35 C ATOM 1553 CD LYS A 98 -20.813 -9.805 -17.889 1.00 51.12 C ATOM 1554 CE LYS A 98 -22.078 -10.079 -18.689 1.00 63.04 C ATOM 1555 NZ LYS A 98 -22.677 -8.826 -19.226 1.00 40.04 N ATOM 0 H LYS A 98 -16.265 -10.446 -16.454 1.00 40.33 H new ATOM 0 HA LYS A 98 -16.839 -10.267 -19.221 1.00 62.41 H new ATOM 0 HB2 LYS A 98 -18.224 -11.466 -17.550 1.00 50.20 H new ATOM 0 HB3 LYS A 98 -18.608 -9.948 -16.764 1.00 50.20 H new ATOM 0 HG2 LYS A 98 -19.336 -9.473 -19.409 1.00 25.35 H new ATOM 0 HG3 LYS A 98 -19.764 -11.158 -19.182 1.00 25.35 H new ATOM 0 HD2 LYS A 98 -20.857 -10.342 -16.941 1.00 51.12 H new ATOM 0 HD3 LYS A 98 -20.754 -8.743 -17.651 1.00 51.12 H new ATOM 0 HE2 LYS A 98 -21.847 -10.754 -19.513 1.00 63.04 H new ATOM 0 HE3 LYS A 98 -22.805 -10.587 -18.056 1.00 63.04 H new ATOM 0 HZ1 LYS A 98 -23.537 -9.055 -19.765 1.00 40.04 H new ATOM 0 HZ2 LYS A 98 -22.921 -8.192 -18.438 1.00 40.04 H new ATOM 0 HZ3 LYS A 98 -21.993 -8.354 -19.851 1.00 40.04 H new ATOM 1569 N GLU A 99 -17.410 -7.545 -17.420 1.00 40.43 N ATOM 1570 CA GLU A 99 -17.596 -6.101 -17.511 1.00 54.54 C ATOM 1571 C GLU A 99 -16.499 -5.463 -18.359 1.00 42.50 C ATOM 1572 O GLU A 99 -16.743 -4.505 -19.090 1.00 53.02 O ATOM 1573 CB GLU A 99 -17.605 -5.476 -16.114 1.00 13.43 C ATOM 1574 CG GLU A 99 -18.996 -5.119 -15.616 1.00 23.41 C ATOM 1575 CD GLU A 99 -19.292 -5.698 -14.247 1.00 52.31 C ATOM 1576 OE1 GLU A 99 -19.782 -6.845 -14.183 1.00 10.54 O ATOM 1577 OE2 GLU A 99 -19.035 -5.006 -13.240 1.00 61.32 O ATOM 0 H GLU A 99 -17.397 -7.910 -16.468 1.00 40.43 H new ATOM 0 HA GLU A 99 -18.557 -5.914 -17.991 1.00 54.54 H new ATOM 0 HB2 GLU A 99 -17.144 -6.170 -15.412 1.00 13.43 H new ATOM 0 HB3 GLU A 99 -16.990 -4.576 -16.124 1.00 13.43 H new ATOM 0 HG2 GLU A 99 -19.097 -4.034 -15.577 1.00 23.41 H new ATOM 0 HG3 GLU A 99 -19.737 -5.482 -16.328 1.00 23.41 H new ATOM 1584 N ALA A 100 -15.289 -6.003 -18.253 1.00 1.11 N ATOM 1585 CA ALA A 100 -14.154 -5.489 -19.009 1.00 53.32 C ATOM 1586 C ALA A 100 -14.364 -5.675 -20.509 1.00 3.34 C ATOM 1587 O ALA A 100 -13.938 -4.847 -21.313 1.00 23.44 O ATOM 1588 CB ALA A 100 -12.870 -6.173 -18.565 1.00 13.24 C ATOM 0 H ALA A 100 -15.070 -6.796 -17.651 1.00 1.11 H new ATOM 0 HA ALA A 100 -14.070 -4.421 -18.810 1.00 53.32 H new ATOM 0 HB1 ALA A 100 -12.031 -5.779 -19.138 1.00 13.24 H new ATOM 0 HB2 ALA A 100 -12.705 -5.984 -17.504 1.00 13.24 H new ATOM 0 HB3 ALA A 100 -12.953 -7.247 -18.734 1.00 13.24 H new ATOM 1594 N LEU A 101 -15.023 -6.768 -20.877 1.00 24.04 N ATOM 1595 CA LEU A 101 -15.289 -7.065 -22.281 1.00 2.12 C ATOM 1596 C LEU A 101 -16.306 -6.087 -22.860 1.00 30.41 C ATOM 1597 O LEU A 101 -16.178 -5.648 -24.003 1.00 73.12 O ATOM 1598 CB LEU A 101 -15.800 -8.499 -22.431 1.00 74.54 C ATOM 1599 CG LEU A 101 -14.982 -9.410 -23.348 1.00 72.14 C ATOM 1600 CD1 LEU A 101 -14.845 -8.791 -24.732 1.00 44.43 C ATOM 1601 CD2 LEU A 101 -13.612 -9.681 -22.746 1.00 60.20 C ATOM 0 H LEU A 101 -15.383 -7.463 -20.223 1.00 24.04 H new ATOM 0 HA LEU A 101 -14.355 -6.959 -22.833 1.00 2.12 H new ATOM 0 HB2 LEU A 101 -15.841 -8.955 -21.442 1.00 74.54 H new ATOM 0 HB3 LEU A 101 -16.822 -8.462 -22.807 1.00 74.54 H new ATOM 0 HG LEU A 101 -15.508 -10.360 -23.447 1.00 72.14 H new ATOM 0 HD11 LEU A 101 -14.260 -9.453 -25.370 1.00 44.43 H new ATOM 0 HD12 LEU A 101 -15.834 -8.649 -25.167 1.00 44.43 H new ATOM 0 HD13 LEU A 101 -14.342 -7.827 -24.651 1.00 44.43 H new ATOM 0 HD21 LEU A 101 -13.044 -10.331 -23.412 1.00 60.20 H new ATOM 0 HD22 LEU A 101 -13.079 -8.739 -22.616 1.00 60.20 H new ATOM 0 HD23 LEU A 101 -13.730 -10.168 -21.778 1.00 60.20 H new ATOM 1613 N ASP A 102 -17.314 -5.749 -22.064 1.00 61.15 N ATOM 1614 CA ASP A 102 -18.351 -4.819 -22.496 1.00 11.30 C ATOM 1615 C ASP A 102 -17.782 -3.416 -22.680 1.00 4.22 C ATOM 1616 O ASP A 102 -18.047 -2.753 -23.682 1.00 33.41 O ATOM 1617 CB ASP A 102 -19.496 -4.791 -21.482 1.00 11.13 C ATOM 1618 CG ASP A 102 -20.421 -3.608 -21.686 1.00 31.11 C ATOM 1619 OD1 ASP A 102 -20.084 -2.503 -21.212 1.00 54.02 O ATOM 1620 OD2 ASP A 102 -21.483 -3.787 -22.319 1.00 65.44 O ATOM 0 H ASP A 102 -17.435 -6.105 -21.116 1.00 61.15 H new ATOM 0 HA ASP A 102 -18.735 -5.163 -23.456 1.00 11.30 H new ATOM 0 HB2 ASP A 102 -20.069 -5.715 -21.560 1.00 11.13 H new ATOM 0 HB3 ASP A 102 -19.084 -4.756 -20.474 1.00 11.13 H new ATOM 1625 N LYS A 103 -17.000 -2.968 -21.703 1.00 13.42 N ATOM 1626 CA LYS A 103 -16.392 -1.644 -21.755 1.00 53.23 C ATOM 1627 C LYS A 103 -15.544 -1.484 -23.013 1.00 50.32 C ATOM 1628 O LYS A 103 -15.712 -0.524 -23.767 1.00 30.42 O ATOM 1629 CB LYS A 103 -15.531 -1.406 -20.513 1.00 11.33 C ATOM 1630 CG LYS A 103 -16.066 -0.315 -19.601 1.00 32.34 C ATOM 1631 CD LYS A 103 -17.435 -0.672 -19.049 1.00 1.23 C ATOM 1632 CE LYS A 103 -18.416 0.480 -19.202 1.00 71.23 C ATOM 1633 NZ LYS A 103 -19.384 0.242 -20.308 1.00 15.14 N ATOM 0 H LYS A 103 -16.773 -3.503 -20.865 1.00 13.42 H new ATOM 0 HA LYS A 103 -17.193 -0.905 -21.781 1.00 53.23 H new ATOM 0 HB2 LYS A 103 -15.457 -2.336 -19.949 1.00 11.33 H new ATOM 0 HB3 LYS A 103 -14.521 -1.143 -20.827 1.00 11.33 H new ATOM 0 HG2 LYS A 103 -15.371 -0.155 -18.777 1.00 32.34 H new ATOM 0 HG3 LYS A 103 -16.128 0.623 -20.152 1.00 32.34 H new ATOM 0 HD2 LYS A 103 -17.820 -1.550 -19.568 1.00 1.23 H new ATOM 0 HD3 LYS A 103 -17.346 -0.938 -17.996 1.00 1.23 H new ATOM 0 HE2 LYS A 103 -18.960 0.620 -18.268 1.00 71.23 H new ATOM 0 HE3 LYS A 103 -17.866 1.402 -19.393 1.00 71.23 H new ATOM 0 HZ1 LYS A 103 -20.294 0.687 -20.074 1.00 15.14 H new ATOM 0 HZ2 LYS A 103 -19.013 0.653 -21.188 1.00 15.14 H new ATOM 0 HZ3 LYS A 103 -19.521 -0.781 -20.435 1.00 15.14 H new ATOM 1647 N ILE A 104 -14.637 -2.428 -23.234 1.00 23.21 N ATOM 1648 CA ILE A 104 -13.766 -2.392 -24.401 1.00 31.13 C ATOM 1649 C ILE A 104 -14.564 -2.571 -25.689 1.00 22.22 C ATOM 1650 O ILE A 104 -14.162 -2.096 -26.750 1.00 11.22 O ATOM 1651 CB ILE A 104 -12.679 -3.481 -24.328 1.00 12.44 C ATOM 1652 CG1 ILE A 104 -11.838 -3.309 -23.062 1.00 51.21 C ATOM 1653 CG2 ILE A 104 -11.798 -3.435 -25.567 1.00 23.31 C ATOM 1654 CD1 ILE A 104 -11.021 -4.532 -22.707 1.00 33.10 C ATOM 0 H ILE A 104 -14.486 -3.228 -22.620 1.00 23.21 H new ATOM 0 HA ILE A 104 -13.287 -1.413 -24.406 1.00 31.13 H new ATOM 0 HB ILE A 104 -13.165 -4.456 -24.289 1.00 12.44 H new ATOM 0 HG12 ILE A 104 -11.167 -2.460 -23.194 1.00 51.21 H new ATOM 0 HG13 ILE A 104 -12.497 -3.068 -22.228 1.00 51.21 H new ATOM 0 HG21 ILE A 104 -11.035 -4.211 -25.500 1.00 23.31 H new ATOM 0 HG22 ILE A 104 -12.409 -3.602 -26.454 1.00 23.31 H new ATOM 0 HG23 ILE A 104 -11.318 -2.459 -25.636 1.00 23.31 H new ATOM 0 HD11 ILE A 104 -10.450 -4.337 -21.799 1.00 33.10 H new ATOM 0 HD12 ILE A 104 -11.687 -5.379 -22.543 1.00 33.10 H new ATOM 0 HD13 ILE A 104 -10.336 -4.762 -23.523 1.00 33.10 H new