USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 810 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 TYR OH : rot 70:sc= -0.0224 USER MOD Set 1.2: A 97 THR OG1 : rot -113:sc= 0.365 USER MOD Single : A 6 SER OG : rot -20:sc= 0.395 USER MOD Single : A 9 SER OG : rot 180:sc= -1.05 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= -0.0961 K(o=-0.096,f=0.63) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -127:sc= -0.387 (180deg=-1.49!) USER MOD Single : A 33 HIS : no HD1:sc= -0.703 K(o=-0.7,f=-8.3!) USER MOD Single : A 38 SER OG : rot 180:sc= -1.26 USER MOD Single : A 47 ASN : amide:sc= -0.0279 K(o=-0.028,f=-1.6) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -150:sc= -0.425 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= -0.226 K(o=-0.23,f=-3.6!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0915 K(o=-0.091,f=-1.2) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0303 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0607 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.614 USER MOD Single : A 80 ASN : amide:sc= -0.0588 K(o=-0.059,f=-1.1) USER MOD Single : A 81 THR OG1 : rot 81:sc= 0.0813 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HE2:sc= -2.55! C(o=-2.5!,f=-5.7!) USER MOD Single : A 90 GLN : amide:sc= -0.222 K(o=-0.22,f=-2.2!) 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+ -133:sc= 0.31 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N SER A 6 -0.055 7.284 3.013 1.00 14.22 N ATOM 53 CA SER A 6 -0.394 8.698 3.120 1.00 13.31 C ATOM 54 C SER A 6 -0.853 9.250 1.774 1.00 24.40 C ATOM 55 O SER A 6 -0.698 8.603 0.738 1.00 72.33 O ATOM 56 CB SER A 6 0.809 9.497 3.627 1.00 70.53 C ATOM 57 OG SER A 6 2.014 9.022 3.053 1.00 2.22 O ATOM 0 HA SER A 6 -1.213 8.796 3.833 1.00 13.31 H new ATOM 0 HB2 SER A 6 0.678 10.552 3.384 1.00 70.53 H new ATOM 0 HB3 SER A 6 0.866 9.424 4.713 1.00 70.53 H new ATOM 0 HG SER A 6 1.879 8.113 2.714 1.00 2.22 H new ATOM 63 N VAL A 7 -1.423 10.451 1.797 1.00 1.43 N ATOM 64 CA VAL A 7 -1.905 11.092 0.579 1.00 41.21 C ATOM 65 C VAL A 7 -1.037 12.289 0.207 1.00 12.23 C ATOM 66 O VAL A 7 -0.672 12.468 -0.955 1.00 1.13 O ATOM 67 CB VAL A 7 -3.365 11.558 0.730 1.00 61.41 C ATOM 68 CG1 VAL A 7 -3.835 12.262 -0.534 1.00 40.12 C ATOM 69 CG2 VAL A 7 -4.268 10.379 1.061 1.00 41.21 C ATOM 0 H VAL A 7 -1.562 10.999 2.646 1.00 1.43 H new ATOM 0 HA VAL A 7 -1.849 10.346 -0.214 1.00 41.21 H new ATOM 0 HB VAL A 7 -3.418 12.270 1.554 1.00 61.41 H new ATOM 0 HG11 VAL A 7 -4.869 12.584 -0.408 1.00 40.12 H new ATOM 0 HG12 VAL A 7 -3.205 13.131 -0.722 1.00 40.12 H new ATOM 0 HG13 VAL A 7 -3.769 11.576 -1.379 1.00 40.12 H new ATOM 0 HG21 VAL A 7 -5.296 10.726 1.164 1.00 41.21 H new ATOM 0 HG22 VAL A 7 -4.212 9.642 0.260 1.00 41.21 H new ATOM 0 HG23 VAL A 7 -3.943 9.923 1.996 1.00 41.21 H new ATOM 79 N LEU A 8 -0.709 13.106 1.201 1.00 42.53 N ATOM 80 CA LEU A 8 0.117 14.287 0.980 1.00 12.41 C ATOM 81 C LEU A 8 1.507 14.101 1.580 1.00 71.12 C ATOM 82 O LEU A 8 1.649 13.618 2.704 1.00 1.43 O ATOM 83 CB LEU A 8 -0.551 15.523 1.586 1.00 73.51 C ATOM 84 CG LEU A 8 -1.899 15.921 0.984 1.00 61.42 C ATOM 85 CD1 LEU A 8 -2.491 17.102 1.737 1.00 24.44 C ATOM 86 CD2 LEU A 8 -1.747 16.249 -0.494 1.00 41.33 C ATOM 0 H LEU A 8 -1.003 12.972 2.169 1.00 42.53 H new ATOM 0 HA LEU A 8 0.222 14.429 -0.096 1.00 12.41 H new ATOM 0 HB2 LEU A 8 -0.689 15.350 2.653 1.00 73.51 H new ATOM 0 HB3 LEU A 8 0.132 16.366 1.486 1.00 73.51 H new ATOM 0 HG LEU A 8 -2.582 15.077 1.079 1.00 61.42 H new ATOM 0 HD11 LEU A 8 -3.450 17.372 1.295 1.00 24.44 H new ATOM 0 HD12 LEU A 8 -2.637 16.831 2.783 1.00 24.44 H new ATOM 0 HD13 LEU A 8 -1.811 17.951 1.674 1.00 24.44 H new ATOM 0 HD21 LEU A 8 -2.716 16.530 -0.906 1.00 41.33 H new ATOM 0 HD22 LEU A 8 -1.048 17.077 -0.613 1.00 41.33 H new ATOM 0 HD23 LEU A 8 -1.367 15.375 -1.023 1.00 41.33 H new ATOM 98 N SER A 9 2.530 14.487 0.824 1.00 50.52 N ATOM 99 CA SER A 9 3.909 14.361 1.281 1.00 30.21 C ATOM 100 C SER A 9 4.228 15.408 2.344 1.00 64.51 C ATOM 101 O SER A 9 3.333 16.079 2.857 1.00 71.13 O ATOM 102 CB SER A 9 4.874 14.504 0.102 1.00 3.01 C ATOM 103 OG SER A 9 5.352 15.833 -0.006 1.00 5.50 O ATOM 0 H SER A 9 2.430 14.890 -0.108 1.00 50.52 H new ATOM 0 HA SER A 9 4.030 13.372 1.723 1.00 30.21 H new ATOM 0 HB2 SER A 9 5.714 13.821 0.230 1.00 3.01 H new ATOM 0 HB3 SER A 9 4.370 14.219 -0.821 1.00 3.01 H new ATOM 0 HG SER A 9 5.968 15.898 -0.765 1.00 5.50 H new ATOM 109 N GLY A 10 5.510 15.540 2.669 1.00 43.23 N ATOM 110 CA GLY A 10 5.924 16.507 3.669 1.00 54.12 C ATOM 111 C GLY A 10 5.597 17.931 3.270 1.00 53.45 C ATOM 112 O GLY A 10 4.821 18.609 3.942 1.00 51.55 O ATOM 0 H GLY A 10 6.269 14.996 2.258 1.00 43.23 H new ATOM 0 HA2 GLY A 10 5.435 16.277 4.616 1.00 54.12 H new ATOM 0 HA3 GLY A 10 6.998 16.417 3.834 1.00 54.12 H new ATOM 116 N GLY A 11 6.192 18.389 2.173 1.00 14.35 N ATOM 117 CA GLY A 11 5.948 19.740 1.705 1.00 11.55 C ATOM 118 C GLY A 11 4.479 20.005 1.436 1.00 55.45 C ATOM 119 O GLY A 11 3.990 21.111 1.668 1.00 24.31 O ATOM 0 H GLY A 11 6.839 17.848 1.600 1.00 14.35 H new ATOM 0 HA2 GLY A 11 6.312 20.450 2.448 1.00 11.55 H new ATOM 0 HA3 GLY A 11 6.518 19.914 0.792 1.00 11.55 H new ATOM 123 N GLU A 12 3.776 18.989 0.946 1.00 13.21 N ATOM 124 CA GLU A 12 2.356 19.120 0.644 1.00 70.15 C ATOM 125 C GLU A 12 1.536 19.231 1.926 1.00 63.21 C ATOM 126 O GLU A 12 0.630 20.060 2.027 1.00 10.14 O ATOM 127 CB GLU A 12 1.875 17.923 -0.180 1.00 52.45 C ATOM 128 CG GLU A 12 2.811 17.552 -1.318 1.00 13.02 C ATOM 129 CD GLU A 12 2.173 16.599 -2.310 1.00 13.13 C ATOM 130 OE1 GLU A 12 1.955 15.425 -1.948 1.00 73.31 O ATOM 131 OE2 GLU A 12 1.893 17.027 -3.449 1.00 11.42 O ATOM 0 H GLU A 12 4.166 18.067 0.750 1.00 13.21 H new ATOM 0 HA GLU A 12 2.216 20.032 0.063 1.00 70.15 H new ATOM 0 HB2 GLU A 12 1.759 17.062 0.479 1.00 52.45 H new ATOM 0 HB3 GLU A 12 0.890 18.147 -0.589 1.00 52.45 H new ATOM 0 HG2 GLU A 12 3.122 18.458 -1.838 1.00 13.02 H new ATOM 0 HG3 GLU A 12 3.712 17.095 -0.908 1.00 13.02 H new ATOM 138 N LEU A 13 1.858 18.391 2.902 1.00 62.45 N ATOM 139 CA LEU A 13 1.151 18.394 4.179 1.00 72.13 C ATOM 140 C LEU A 13 1.091 19.801 4.765 1.00 31.32 C ATOM 141 O LEU A 13 0.023 20.281 5.145 1.00 73.54 O ATOM 142 CB LEU A 13 1.836 17.446 5.165 1.00 63.13 C ATOM 143 CG LEU A 13 1.003 17.019 6.374 1.00 1.12 C ATOM 144 CD1 LEU A 13 1.724 15.938 7.164 1.00 23.14 C ATOM 145 CD2 LEU A 13 0.697 18.217 7.262 1.00 32.54 C ATOM 0 H LEU A 13 2.604 17.699 2.835 1.00 62.45 H new ATOM 0 HA LEU A 13 0.132 18.051 4.003 1.00 72.13 H new ATOM 0 HB2 LEU A 13 2.141 16.550 4.624 1.00 63.13 H new ATOM 0 HB3 LEU A 13 2.746 17.925 5.527 1.00 63.13 H new ATOM 0 HG LEU A 13 0.059 16.609 6.014 1.00 1.12 H new ATOM 0 HD11 LEU A 13 1.116 15.647 8.021 1.00 23.14 H new ATOM 0 HD12 LEU A 13 1.890 15.070 6.525 1.00 23.14 H new ATOM 0 HD13 LEU A 13 2.683 16.321 7.513 1.00 23.14 H new ATOM 0 HD21 LEU A 13 0.103 17.894 8.117 1.00 32.54 H new ATOM 0 HD22 LEU A 13 1.630 18.657 7.613 1.00 32.54 H new ATOM 0 HD23 LEU A 13 0.138 18.959 6.692 1.00 32.54 H new ATOM 157 N ASP A 14 2.244 20.457 4.834 1.00 15.25 N ATOM 158 CA ASP A 14 2.322 21.810 5.370 1.00 15.33 C ATOM 159 C ASP A 14 1.322 22.729 4.675 1.00 11.04 C ATOM 160 O ASP A 14 0.414 23.268 5.308 1.00 61.31 O ATOM 161 CB ASP A 14 3.740 22.364 5.210 1.00 4.13 C ATOM 162 CG ASP A 14 4.247 23.030 6.473 1.00 53.42 C ATOM 163 OD1 ASP A 14 4.840 22.327 7.317 1.00 42.34 O ATOM 164 OD2 ASP A 14 4.052 24.255 6.616 1.00 54.33 O ATOM 0 H ASP A 14 3.137 20.073 4.525 1.00 15.25 H new ATOM 0 HA ASP A 14 2.074 21.769 6.431 1.00 15.33 H new ATOM 0 HB2 ASP A 14 4.415 21.553 4.934 1.00 4.13 H new ATOM 0 HB3 ASP A 14 3.755 23.084 4.392 1.00 4.13 H new ATOM 169 N LYS A 15 1.497 22.905 3.370 1.00 3.34 N ATOM 170 CA LYS A 15 0.610 23.759 2.587 1.00 52.30 C ATOM 171 C LYS A 15 -0.849 23.378 2.811 1.00 65.24 C ATOM 172 O LYS A 15 -1.709 24.244 2.980 1.00 14.11 O ATOM 173 CB LYS A 15 0.952 23.657 1.100 1.00 34.14 C ATOM 174 CG LYS A 15 2.297 24.265 0.741 1.00 40.21 C ATOM 175 CD LYS A 15 2.142 25.666 0.172 1.00 64.32 C ATOM 176 CE LYS A 15 3.476 26.394 0.112 1.00 2.21 C ATOM 177 NZ LYS A 15 3.534 27.523 1.081 1.00 32.31 N ATOM 0 H LYS A 15 2.245 22.468 2.832 1.00 3.34 H new ATOM 0 HA LYS A 15 0.753 24.788 2.917 1.00 52.30 H new ATOM 0 HB2 LYS A 15 0.947 22.607 0.806 1.00 34.14 H new ATOM 0 HB3 LYS A 15 0.173 24.153 0.522 1.00 34.14 H new ATOM 0 HG2 LYS A 15 2.930 24.299 1.628 1.00 40.21 H new ATOM 0 HG3 LYS A 15 2.802 23.630 0.013 1.00 40.21 H new ATOM 0 HD2 LYS A 15 1.713 25.608 -0.828 1.00 64.32 H new ATOM 0 HD3 LYS A 15 1.444 26.234 0.786 1.00 64.32 H new ATOM 0 HE2 LYS A 15 4.283 25.692 0.323 1.00 2.21 H new ATOM 0 HE3 LYS A 15 3.638 26.772 -0.897 1.00 2.21 H new ATOM 0 HZ1 LYS A 15 4.458 27.994 1.010 1.00 32.31 H new ATOM 0 HZ2 LYS A 15 2.780 28.206 0.864 1.00 32.31 H new ATOM 0 HZ3 LYS A 15 3.404 27.159 2.046 1.00 32.31 H new ATOM 191 N TRP A 16 -1.123 22.078 2.814 1.00 65.43 N ATOM 192 CA TRP A 16 -2.480 21.583 3.020 1.00 20.15 C ATOM 193 C TRP A 16 -3.097 22.192 4.273 1.00 42.21 C ATOM 194 O TRP A 16 -4.229 22.676 4.245 1.00 55.05 O ATOM 195 CB TRP A 16 -2.477 20.057 3.128 1.00 31.45 C ATOM 196 CG TRP A 16 -3.792 19.490 3.570 1.00 13.30 C ATOM 197 CD1 TRP A 16 -4.125 19.082 4.830 1.00 21.02 C ATOM 198 CD2 TRP A 16 -4.948 19.268 2.756 1.00 14.24 C ATOM 199 NE1 TRP A 16 -5.419 18.618 4.847 1.00 55.22 N ATOM 200 CE2 TRP A 16 -5.945 18.723 3.587 1.00 41.33 C ATOM 201 CE3 TRP A 16 -5.237 19.479 1.404 1.00 63.54 C ATOM 202 CZ2 TRP A 16 -7.209 18.386 3.109 1.00 71.14 C ATOM 203 CZ3 TRP A 16 -6.492 19.143 0.932 1.00 70.45 C ATOM 204 CH2 TRP A 16 -7.465 18.603 1.783 1.00 70.41 C ATOM 0 H TRP A 16 -0.424 21.348 2.676 1.00 65.43 H new ATOM 0 HA TRP A 16 -3.082 21.878 2.161 1.00 20.15 H new ATOM 0 HB2 TRP A 16 -2.213 19.632 2.160 1.00 31.45 H new ATOM 0 HB3 TRP A 16 -1.703 19.751 3.832 1.00 31.45 H new ATOM 0 HD1 TRP A 16 -3.469 19.118 5.687 1.00 21.02 H new ATOM 0 HE1 TRP A 16 -5.908 18.255 5.665 1.00 55.22 H new ATOM 0 HE3 TRP A 16 -4.494 19.897 0.741 1.00 63.54 H new ATOM 0 HZ2 TRP A 16 -7.961 17.968 3.762 1.00 71.14 H new ATOM 0 HZ3 TRP A 16 -6.726 19.299 -0.111 1.00 70.45 H new ATOM 0 HH2 TRP A 16 -8.437 18.353 1.384 1.00 70.41 H new ATOM 215 N GLU A 17 -2.348 22.165 5.371 1.00 30.33 N ATOM 216 CA GLU A 17 -2.825 22.715 6.634 1.00 53.43 C ATOM 217 C GLU A 17 -3.054 24.219 6.521 1.00 51.50 C ATOM 218 O GLU A 17 -3.787 24.809 7.315 1.00 12.11 O ATOM 219 CB GLU A 17 -1.823 22.424 7.753 1.00 70.23 C ATOM 220 CG GLU A 17 -2.019 21.066 8.407 1.00 13.23 C ATOM 221 CD GLU A 17 -1.576 21.048 9.857 1.00 20.40 C ATOM 222 OE1 GLU A 17 -1.884 22.016 10.583 1.00 64.21 O ATOM 223 OE2 GLU A 17 -0.922 20.065 10.266 1.00 1.42 O ATOM 0 H GLU A 17 -1.409 21.768 5.411 1.00 30.33 H new ATOM 0 HA GLU A 17 -3.775 22.237 6.873 1.00 53.43 H new ATOM 0 HB2 GLU A 17 -0.812 22.481 7.348 1.00 70.23 H new ATOM 0 HB3 GLU A 17 -1.906 23.200 8.514 1.00 70.23 H new ATOM 0 HG2 GLU A 17 -3.071 20.787 8.349 1.00 13.23 H new ATOM 0 HG3 GLU A 17 -1.459 20.315 7.850 1.00 13.23 H new ATOM 230 N LYS A 18 -2.421 24.835 5.527 1.00 73.25 N ATOM 231 CA LYS A 18 -2.554 26.270 5.308 1.00 23.11 C ATOM 232 C LYS A 18 -3.948 26.615 4.794 1.00 62.11 C ATOM 233 O LYS A 18 -4.704 27.329 5.454 1.00 70.15 O ATOM 234 CB LYS A 18 -1.498 26.754 4.312 1.00 2.54 C ATOM 235 CG LYS A 18 -0.833 28.059 4.716 1.00 43.53 C ATOM 236 CD LYS A 18 0.590 27.834 5.200 1.00 43.14 C ATOM 237 CE LYS A 18 0.630 27.528 6.690 1.00 14.33 C ATOM 238 NZ LYS A 18 1.778 28.198 7.362 1.00 30.33 N ATOM 0 H LYS A 18 -1.811 24.362 4.861 1.00 73.25 H new ATOM 0 HA LYS A 18 -2.403 26.774 6.263 1.00 23.11 H new ATOM 0 HB2 LYS A 18 -0.733 25.985 4.204 1.00 2.54 H new ATOM 0 HB3 LYS A 18 -1.964 26.881 3.335 1.00 2.54 H new ATOM 0 HG2 LYS A 18 -0.826 28.743 3.867 1.00 43.53 H new ATOM 0 HG3 LYS A 18 -1.415 28.536 5.504 1.00 43.53 H new ATOM 0 HD2 LYS A 18 1.038 27.009 4.646 1.00 43.14 H new ATOM 0 HD3 LYS A 18 1.190 28.720 4.993 1.00 43.14 H new ATOM 0 HE2 LYS A 18 -0.302 27.853 7.153 1.00 14.33 H new ATOM 0 HE3 LYS A 18 0.701 26.450 6.838 1.00 14.33 H new ATOM 0 HZ1 LYS A 18 1.771 27.965 8.376 1.00 30.33 H new ATOM 0 HZ2 LYS A 18 2.669 27.869 6.938 1.00 30.33 H new ATOM 0 HZ3 LYS A 18 1.697 29.228 7.243 1.00 30.33 H new ATOM 252 N ILE A 19 -4.283 26.101 3.615 1.00 42.12 N ATOM 253 CA ILE A 19 -5.588 26.353 3.016 1.00 0.10 C ATOM 254 C ILE A 19 -6.705 26.190 4.042 1.00 32.33 C ATOM 255 O ILE A 19 -6.625 25.344 4.932 1.00 74.32 O ATOM 256 CB ILE A 19 -5.854 25.408 1.829 1.00 1.23 C ATOM 257 CG1 ILE A 19 -4.770 25.577 0.762 1.00 1.53 C ATOM 258 CG2 ILE A 19 -7.232 25.673 1.240 1.00 33.33 C ATOM 259 CD1 ILE A 19 -4.600 24.363 -0.124 1.00 44.35 C ATOM 0 H ILE A 19 -3.669 25.508 3.056 1.00 42.12 H new ATOM 0 HA ILE A 19 -5.577 27.382 2.656 1.00 0.10 H new ATOM 0 HB ILE A 19 -5.826 24.379 2.188 1.00 1.23 H new ATOM 0 HG12 ILE A 19 -5.014 26.439 0.141 1.00 1.53 H new ATOM 0 HG13 ILE A 19 -3.821 25.795 1.251 1.00 1.53 H new ATOM 0 HG21 ILE A 19 -7.406 24.998 0.402 1.00 33.33 H new ATOM 0 HG22 ILE A 19 -7.992 25.507 2.003 1.00 33.33 H new ATOM 0 HG23 ILE A 19 -7.287 26.704 0.892 1.00 33.33 H new ATOM 0 HD11 ILE A 19 -3.816 24.554 -0.856 1.00 44.35 H new ATOM 0 HD12 ILE A 19 -4.325 23.503 0.486 1.00 44.35 H new ATOM 0 HD13 ILE A 19 -5.537 24.156 -0.641 1.00 44.35 H new ATOM 271 N ARG A 20 -7.747 27.004 3.908 1.00 21.14 N ATOM 272 CA ARG A 20 -8.881 26.950 4.822 1.00 22.41 C ATOM 273 C ARG A 20 -10.146 26.507 4.093 1.00 71.31 C ATOM 274 O ARG A 20 -10.257 26.652 2.875 1.00 30.13 O ATOM 275 CB ARG A 20 -9.105 28.316 5.473 1.00 21.15 C ATOM 276 CG ARG A 20 -8.434 28.463 6.828 1.00 34.21 C ATOM 277 CD ARG A 20 -8.024 29.904 7.094 1.00 24.23 C ATOM 278 NE ARG A 20 -6.654 30.171 6.663 1.00 45.11 N ATOM 279 CZ ARG A 20 -6.153 31.394 6.527 1.00 42.24 C ATOM 280 NH1 ARG A 20 -6.904 32.455 6.787 1.00 24.11 N ATOM 281 NH2 ARG A 20 -4.897 31.556 6.132 1.00 13.32 N ATOM 0 H ARG A 20 -7.829 27.709 3.175 1.00 21.14 H new ATOM 0 HA ARG A 20 -8.655 26.219 5.598 1.00 22.41 H new ATOM 0 HB2 ARG A 20 -8.731 29.093 4.806 1.00 21.15 H new ATOM 0 HB3 ARG A 20 -10.176 28.483 5.588 1.00 21.15 H new ATOM 0 HG2 ARG A 20 -9.114 28.127 7.610 1.00 34.21 H new ATOM 0 HG3 ARG A 20 -7.555 27.820 6.872 1.00 34.21 H new ATOM 0 HD2 ARG A 20 -8.706 30.577 6.574 1.00 24.23 H new ATOM 0 HD3 ARG A 20 -8.117 30.117 8.159 1.00 24.23 H new ATOM 0 HE ARG A 20 -6.050 29.376 6.455 1.00 45.11 H new ATOM 0 HH11 ARG A 20 -7.870 32.334 7.093 1.00 24.11 H new ATOM 0 HH12 ARG A 20 -6.516 33.393 6.682 1.00 24.11 H new ATOM 0 HH21 ARG A 20 -4.316 30.742 5.933 1.00 13.32 H new ATOM 0 HH22 ARG A 20 -4.512 32.495 6.028 1.00 13.32 H new ATOM 295 N LEU A 21 -11.098 25.967 4.847 1.00 21.13 N ATOM 296 CA LEU A 21 -12.356 25.502 4.272 1.00 42.51 C ATOM 297 C LEU A 21 -13.146 26.665 3.677 1.00 75.54 C ATOM 298 O LEU A 21 -13.763 26.533 2.620 1.00 74.11 O ATOM 299 CB LEU A 21 -13.195 24.794 5.338 1.00 3.01 C ATOM 300 CG LEU A 21 -12.568 23.549 5.967 1.00 2.02 C ATOM 301 CD1 LEU A 21 -13.493 22.962 7.023 1.00 15.33 C ATOM 302 CD2 LEU A 21 -12.251 22.513 4.897 1.00 43.15 C ATOM 0 H LEU A 21 -11.023 25.841 5.856 1.00 21.13 H new ATOM 0 HA LEU A 21 -12.124 24.798 3.473 1.00 42.51 H new ATOM 0 HB2 LEU A 21 -13.414 25.507 6.133 1.00 3.01 H new ATOM 0 HB3 LEU A 21 -14.149 24.511 4.892 1.00 3.01 H new ATOM 0 HG LEU A 21 -11.635 23.839 6.451 1.00 2.02 H new ATOM 0 HD11 LEU A 21 -13.031 22.077 7.460 1.00 15.33 H new ATOM 0 HD12 LEU A 21 -13.670 23.702 7.804 1.00 15.33 H new ATOM 0 HD13 LEU A 21 -14.442 22.686 6.563 1.00 15.33 H new ATOM 0 HD21 LEU A 21 -11.805 21.634 5.362 1.00 43.15 H new ATOM 0 HD22 LEU A 21 -13.169 22.226 4.385 1.00 43.15 H new ATOM 0 HD23 LEU A 21 -11.551 22.936 4.177 1.00 43.15 H new ATOM 314 N ARG A 22 -13.120 27.803 4.363 1.00 75.12 N ATOM 315 CA ARG A 22 -13.832 28.989 3.902 1.00 74.32 C ATOM 316 C ARG A 22 -12.867 30.152 3.686 1.00 51.21 C ATOM 317 O ARG A 22 -11.765 30.187 4.234 1.00 31.15 O ATOM 318 CB ARG A 22 -14.909 29.387 4.911 1.00 64.32 C ATOM 319 CG ARG A 22 -16.322 29.063 4.452 1.00 73.25 C ATOM 320 CD ARG A 22 -17.359 29.820 5.267 1.00 23.12 C ATOM 321 NE ARG A 22 -17.309 29.467 6.683 1.00 73.43 N ATOM 322 CZ ARG A 22 -17.967 30.127 7.629 1.00 62.45 C ATOM 323 NH1 ARG A 22 -18.723 31.168 7.312 1.00 25.12 N ATOM 324 NH2 ARG A 22 -17.870 29.745 8.897 1.00 22.24 N ATOM 0 H ARG A 22 -12.614 27.929 5.240 1.00 75.12 H new ATOM 0 HA ARG A 22 -14.306 28.751 2.950 1.00 74.32 H new ATOM 0 HB2 ARG A 22 -14.717 28.877 5.855 1.00 64.32 H new ATOM 0 HB3 ARG A 22 -14.835 30.457 5.106 1.00 64.32 H new ATOM 0 HG2 ARG A 22 -16.430 29.316 3.397 1.00 73.25 H new ATOM 0 HG3 ARG A 22 -16.498 27.991 4.542 1.00 73.25 H new ATOM 0 HD2 ARG A 22 -17.196 30.892 5.155 1.00 23.12 H new ATOM 0 HD3 ARG A 22 -18.354 29.607 4.875 1.00 23.12 H new ATOM 0 HE ARG A 22 -16.737 28.669 6.961 1.00 73.43 H new ATOM 0 HH11 ARG A 22 -18.801 31.464 6.339 1.00 25.12 H new ATOM 0 HH12 ARG A 22 -19.227 31.673 8.041 1.00 25.12 H new ATOM 0 HH21 ARG A 22 -17.290 28.944 9.145 1.00 22.24 H new ATOM 0 HH22 ARG A 22 -18.376 30.253 9.623 1.00 22.24 H new ATOM 338 N PRO A 23 -13.290 31.128 2.869 1.00 65.04 N ATOM 339 CA PRO A 23 -12.480 32.310 2.563 1.00 42.50 C ATOM 340 C PRO A 23 -12.338 33.242 3.762 1.00 33.22 C ATOM 341 O PRO A 23 -11.250 33.743 4.044 1.00 73.24 O ATOM 342 CB PRO A 23 -13.266 32.997 1.443 1.00 1.32 C ATOM 343 CG PRO A 23 -14.673 32.551 1.639 1.00 3.45 C ATOM 344 CD PRO A 23 -14.593 31.152 2.183 1.00 52.41 C ATOM 0 HA PRO A 23 -11.460 32.045 2.287 1.00 42.50 H new ATOM 0 HB2 PRO A 23 -13.182 34.082 1.508 1.00 1.32 H new ATOM 0 HB3 PRO A 23 -12.892 32.707 0.461 1.00 1.32 H new ATOM 0 HG2 PRO A 23 -15.198 33.209 2.331 1.00 3.45 H new ATOM 0 HG3 PRO A 23 -15.224 32.573 0.699 1.00 3.45 H new ATOM 0 HD2 PRO A 23 -15.413 30.940 2.869 1.00 52.41 H new ATOM 0 HD3 PRO A 23 -14.643 30.408 1.388 1.00 52.41 H new ATOM 352 N GLY A 24 -13.444 33.471 4.463 1.00 35.32 N ATOM 353 CA GLY A 24 -13.419 34.342 5.624 1.00 30.53 C ATOM 354 C GLY A 24 -13.597 33.582 6.923 1.00 63.21 C ATOM 355 O GLY A 24 -14.231 34.073 7.856 1.00 15.31 O ATOM 0 H GLY A 24 -14.357 33.069 4.248 1.00 35.32 H new ATOM 0 HA2 GLY A 24 -12.472 34.882 5.649 1.00 30.53 H new ATOM 0 HA3 GLY A 24 -14.209 35.088 5.532 1.00 30.53 H new ATOM 359 N GLY A 25 -13.039 32.377 6.984 1.00 31.31 N ATOM 360 CA GLY A 25 -13.152 31.565 8.182 1.00 42.32 C ATOM 361 C GLY A 25 -11.833 31.422 8.913 1.00 35.44 C ATOM 362 O GLY A 25 -10.836 32.042 8.539 1.00 42.45 O ATOM 0 H GLY A 25 -12.510 31.948 6.225 1.00 31.31 H new ATOM 0 HA2 GLY A 25 -13.888 32.011 8.851 1.00 42.32 H new ATOM 0 HA3 GLY A 25 -13.524 30.576 7.913 1.00 42.32 H new ATOM 366 N LYS A 26 -11.823 30.602 9.958 1.00 53.24 N ATOM 367 CA LYS A 26 -10.615 30.379 10.745 1.00 65.31 C ATOM 368 C LYS A 26 -10.284 28.892 10.822 1.00 0.34 C ATOM 369 O LYS A 26 -9.278 28.499 11.413 1.00 40.44 O ATOM 370 CB LYS A 26 -10.788 30.948 12.155 1.00 72.43 C ATOM 371 CG LYS A 26 -9.504 31.499 12.750 1.00 12.52 C ATOM 372 CD LYS A 26 -9.642 31.748 14.242 1.00 60.14 C ATOM 373 CE LYS A 26 -8.425 31.249 15.006 1.00 31.14 C ATOM 374 NZ LYS A 26 -8.798 30.651 16.317 1.00 24.43 N ATOM 0 H LYS A 26 -12.638 30.080 10.280 1.00 53.24 H new ATOM 0 HA LYS A 26 -9.789 30.892 10.252 1.00 65.31 H new ATOM 0 HB2 LYS A 26 -11.536 31.741 12.129 1.00 72.43 H new ATOM 0 HB3 LYS A 26 -11.175 30.166 12.808 1.00 72.43 H new ATOM 0 HG2 LYS A 26 -8.689 30.798 12.571 1.00 12.52 H new ATOM 0 HG3 LYS A 26 -9.239 32.430 12.248 1.00 12.52 H new ATOM 0 HD2 LYS A 26 -9.774 32.815 14.423 1.00 60.14 H new ATOM 0 HD3 LYS A 26 -10.536 31.248 14.614 1.00 60.14 H new ATOM 0 HE2 LYS A 26 -7.899 30.507 14.405 1.00 31.14 H new ATOM 0 HE3 LYS A 26 -7.734 32.076 15.168 1.00 31.14 H new ATOM 0 HZ1 LYS A 26 -7.940 30.323 16.806 1.00 24.43 H new ATOM 0 HZ2 LYS A 26 -9.278 31.366 16.901 1.00 24.43 H new ATOM 0 HZ3 LYS A 26 -9.437 29.845 16.162 1.00 24.43 H new ATOM 388 N LYS A 27 -11.135 28.069 10.219 1.00 2.11 N ATOM 389 CA LYS A 27 -10.932 26.625 10.216 1.00 53.12 C ATOM 390 C LYS A 27 -10.058 26.201 9.040 1.00 62.43 C ATOM 391 O LYS A 27 -10.493 26.233 7.889 1.00 4.40 O ATOM 392 CB LYS A 27 -12.277 25.900 10.153 1.00 23.41 C ATOM 393 CG LYS A 27 -12.298 24.588 10.917 1.00 31.01 C ATOM 394 CD LYS A 27 -13.196 23.563 10.243 1.00 50.11 C ATOM 395 CE LYS A 27 -14.051 22.819 11.256 1.00 44.03 C ATOM 396 NZ LYS A 27 -14.293 21.408 10.847 1.00 62.42 N ATOM 0 H LYS A 27 -11.973 28.378 9.726 1.00 2.11 H new ATOM 0 HA LYS A 27 -10.423 26.353 11.141 1.00 53.12 H new ATOM 0 HB2 LYS A 27 -13.052 26.555 10.551 1.00 23.41 H new ATOM 0 HB3 LYS A 27 -12.528 25.707 9.110 1.00 23.41 H new ATOM 0 HG2 LYS A 27 -11.285 24.193 10.991 1.00 31.01 H new ATOM 0 HG3 LYS A 27 -12.646 24.764 11.935 1.00 31.01 H new ATOM 0 HD2 LYS A 27 -13.840 24.062 9.519 1.00 50.11 H new ATOM 0 HD3 LYS A 27 -12.585 22.851 9.689 1.00 50.11 H new ATOM 0 HE2 LYS A 27 -13.559 22.836 12.229 1.00 44.03 H new ATOM 0 HE3 LYS A 27 -15.006 23.332 11.372 1.00 44.03 H new ATOM 0 HZ1 LYS A 27 -14.880 20.935 11.564 1.00 62.42 H new ATOM 0 HZ2 LYS A 27 -14.785 21.392 9.931 1.00 62.42 H new ATOM 0 HZ3 LYS A 27 -13.384 20.911 10.761 1.00 62.42 H new ATOM 410 N GLN A 28 -8.825 25.802 9.337 1.00 61.02 N ATOM 411 CA GLN A 28 -7.892 25.371 8.304 1.00 14.21 C ATOM 412 C GLN A 28 -8.121 23.908 7.940 1.00 31.42 C ATOM 413 O GLN A 28 -8.945 23.227 8.551 1.00 54.34 O ATOM 414 CB GLN A 28 -6.450 25.572 8.773 1.00 74.44 C ATOM 415 CG GLN A 28 -6.237 26.862 9.548 1.00 72.01 C ATOM 416 CD GLN A 28 -4.793 27.060 9.966 1.00 75.22 C ATOM 417 OE1 GLN A 28 -3.868 26.700 9.238 1.00 24.54 O ATOM 418 NE2 GLN A 28 -4.591 27.636 11.146 1.00 12.25 N ATOM 0 H GLN A 28 -8.450 25.769 10.285 1.00 61.02 H new ATOM 0 HA GLN A 28 -8.066 25.979 7.416 1.00 14.21 H new ATOM 0 HB2 GLN A 28 -6.160 24.729 9.400 1.00 74.44 H new ATOM 0 HB3 GLN A 28 -5.790 25.566 7.905 1.00 74.44 H new ATOM 0 HG2 GLN A 28 -6.553 27.706 8.935 1.00 72.01 H new ATOM 0 HG3 GLN A 28 -6.871 26.857 10.435 1.00 72.01 H new ATOM 0 HE21 GLN A 28 -5.387 27.919 11.718 1.00 12.25 H new ATOM 0 HE22 GLN A 28 -3.640 27.795 11.480 1.00 12.25 H new ATOM 427 N TYR A 29 -7.389 23.431 6.939 1.00 43.13 N ATOM 428 CA TYR A 29 -7.515 22.049 6.491 1.00 54.32 C ATOM 429 C TYR A 29 -6.674 21.117 7.358 1.00 24.35 C ATOM 430 O TYR A 29 -5.587 21.480 7.810 1.00 25.33 O ATOM 431 CB TYR A 29 -7.088 21.925 5.028 1.00 2.03 C ATOM 432 CG TYR A 29 -8.248 21.925 4.057 1.00 2.11 C ATOM 433 CD1 TYR A 29 -9.086 20.823 3.945 1.00 74.40 C ATOM 434 CD2 TYR A 29 -8.506 23.028 3.251 1.00 52.13 C ATOM 435 CE1 TYR A 29 -10.146 20.818 3.059 1.00 14.21 C ATOM 436 CE2 TYR A 29 -9.564 23.033 2.365 1.00 2.11 C ATOM 437 CZ TYR A 29 -10.381 21.926 2.272 1.00 60.20 C ATOM 438 OH TYR A 29 -11.437 21.926 1.388 1.00 15.31 O ATOM 0 H TYR A 29 -6.702 23.981 6.423 1.00 43.13 H new ATOM 0 HA TYR A 29 -8.561 21.757 6.584 1.00 54.32 H new ATOM 0 HB2 TYR A 29 -6.419 22.750 4.782 1.00 2.03 H new ATOM 0 HB3 TYR A 29 -6.519 21.004 4.901 1.00 2.03 H new ATOM 0 HD1 TYR A 29 -8.906 19.955 4.561 1.00 74.40 H new ATOM 0 HD2 TYR A 29 -7.867 23.896 3.319 1.00 52.13 H new ATOM 0 HE1 TYR A 29 -10.787 19.952 2.983 1.00 14.21 H new ATOM 0 HE2 TYR A 29 -9.751 23.899 1.748 1.00 2.11 H new ATOM 0 HH TYR A 29 -12.280 21.961 1.886 1.00 15.31 H new ATOM 448 N LYS A 30 -7.185 19.912 7.586 1.00 33.24 N ATOM 449 CA LYS A 30 -6.483 18.923 8.396 1.00 55.33 C ATOM 450 C LYS A 30 -6.630 17.527 7.801 1.00 54.33 C ATOM 451 O LYS A 30 -7.430 17.311 6.891 1.00 23.14 O ATOM 452 CB LYS A 30 -7.017 18.936 9.830 1.00 41.53 C ATOM 453 CG LYS A 30 -5.941 19.157 10.879 1.00 11.21 C ATOM 454 CD LYS A 30 -6.242 20.374 11.739 1.00 61.14 C ATOM 455 CE LYS A 30 -4.996 20.871 12.456 1.00 0.32 C ATOM 456 NZ LYS A 30 -5.289 22.039 13.332 1.00 53.30 N ATOM 0 H LYS A 30 -8.084 19.596 7.221 1.00 33.24 H new ATOM 0 HA LYS A 30 -5.425 19.184 8.406 1.00 55.33 H new ATOM 0 HB2 LYS A 30 -7.768 19.720 9.922 1.00 41.53 H new ATOM 0 HB3 LYS A 30 -7.519 17.989 10.030 1.00 41.53 H new ATOM 0 HG2 LYS A 30 -5.862 18.273 11.512 1.00 11.21 H new ATOM 0 HG3 LYS A 30 -4.976 19.286 10.390 1.00 11.21 H new ATOM 0 HD2 LYS A 30 -6.646 21.171 11.115 1.00 61.14 H new ATOM 0 HD3 LYS A 30 -7.009 20.123 12.472 1.00 61.14 H new ATOM 0 HE2 LYS A 30 -4.576 20.064 13.056 1.00 0.32 H new ATOM 0 HE3 LYS A 30 -4.240 21.149 11.721 1.00 0.32 H new ATOM 0 HZ1 LYS A 30 -4.415 22.348 13.803 1.00 53.30 H new ATOM 0 HZ2 LYS A 30 -5.666 22.819 12.756 1.00 53.30 H new ATOM 0 HZ3 LYS A 30 -5.991 21.767 14.050 1.00 53.30 H new ATOM 470 N LEU A 31 -5.854 16.583 8.321 1.00 30.22 N ATOM 471 CA LEU A 31 -5.899 15.206 7.840 1.00 61.25 C ATOM 472 C LEU A 31 -7.331 14.682 7.825 1.00 64.53 C ATOM 473 O LEU A 31 -7.719 13.929 6.930 1.00 55.13 O ATOM 474 CB LEU A 31 -5.025 14.309 8.720 1.00 52.13 C ATOM 475 CG LEU A 31 -3.579 14.120 8.259 1.00 4.01 C ATOM 476 CD1 LEU A 31 -2.789 15.405 8.441 1.00 52.32 C ATOM 477 CD2 LEU A 31 -2.923 12.976 9.019 1.00 2.04 C ATOM 0 H LEU A 31 -5.186 16.745 9.075 1.00 30.22 H new ATOM 0 HA LEU A 31 -5.515 15.190 6.820 1.00 61.25 H new ATOM 0 HB2 LEU A 31 -5.013 14.724 9.728 1.00 52.13 H new ATOM 0 HB3 LEU A 31 -5.496 13.328 8.785 1.00 52.13 H new ATOM 0 HG LEU A 31 -3.585 13.869 7.198 1.00 4.01 H new ATOM 0 HD11 LEU A 31 -1.763 15.251 8.108 1.00 52.32 H new ATOM 0 HD12 LEU A 31 -3.247 16.200 7.852 1.00 52.32 H new ATOM 0 HD13 LEU A 31 -2.790 15.687 9.494 1.00 52.32 H new ATOM 0 HD21 LEU A 31 -1.895 12.855 8.678 1.00 2.04 H new ATOM 0 HD22 LEU A 31 -2.928 13.198 10.086 1.00 2.04 H new ATOM 0 HD23 LEU A 31 -3.476 12.054 8.837 1.00 2.04 H new ATOM 489 N LYS A 32 -8.114 15.085 8.819 1.00 3.21 N ATOM 490 CA LYS A 32 -9.505 14.659 8.919 1.00 3.41 C ATOM 491 C LYS A 32 -10.221 14.820 7.581 1.00 23.30 C ATOM 492 O LYS A 32 -10.845 13.882 7.083 1.00 54.34 O ATOM 493 CB LYS A 32 -10.231 15.467 9.997 1.00 73.15 C ATOM 494 CG LYS A 32 -11.028 14.610 10.966 1.00 13.01 C ATOM 495 CD LYS A 32 -10.990 15.178 12.375 1.00 14.15 C ATOM 496 CE LYS A 32 -9.602 15.065 12.985 1.00 35.35 C ATOM 497 NZ LYS A 32 -8.877 16.366 12.963 1.00 4.52 N ATOM 0 H LYS A 32 -7.809 15.707 9.568 1.00 3.21 H new ATOM 0 HA LYS A 32 -9.517 13.604 9.194 1.00 3.41 H new ATOM 0 HB2 LYS A 32 -9.499 16.049 10.557 1.00 73.15 H new ATOM 0 HB3 LYS A 32 -10.903 16.177 9.516 1.00 73.15 H new ATOM 0 HG2 LYS A 32 -12.062 14.543 10.628 1.00 13.01 H new ATOM 0 HG3 LYS A 32 -10.628 13.596 10.971 1.00 13.01 H new ATOM 0 HD2 LYS A 32 -11.295 16.224 12.355 1.00 14.15 H new ATOM 0 HD3 LYS A 32 -11.708 14.648 13.001 1.00 14.15 H new ATOM 0 HE2 LYS A 32 -9.685 14.713 14.013 1.00 35.35 H new ATOM 0 HE3 LYS A 32 -9.025 14.319 12.439 1.00 35.35 H new ATOM 0 HZ1 LYS A 32 -7.948 16.238 12.513 1.00 4.52 H new ATOM 0 HZ2 LYS A 32 -9.430 17.063 12.424 1.00 4.52 H new ATOM 0 HZ3 LYS A 32 -8.746 16.707 13.937 1.00 4.52 H new ATOM 511 N HIS A 33 -10.125 16.014 7.003 1.00 74.24 N ATOM 512 CA HIS A 33 -10.761 16.297 5.721 1.00 22.11 C ATOM 513 C HIS A 33 -10.240 15.357 4.638 1.00 40.14 C ATOM 514 O HIS A 33 -11.017 15.051 3.734 1.00 0.04 O ATOM 515 CB HIS A 33 -10.513 17.749 5.314 1.00 43.43 C ATOM 516 CG HIS A 33 -10.829 18.736 6.396 1.00 5.41 C ATOM 517 ND1 HIS A 33 -9.960 19.735 6.781 1.00 10.31 N ATOM 518 CD2 HIS A 33 -11.927 18.875 7.176 1.00 15.03 C ATOM 519 CE1 HIS A 33 -10.509 20.444 7.750 1.00 71.13 C ATOM 520 NE2 HIS A 33 -11.704 19.943 8.008 1.00 62.41 N ATOM 0 H HIS A 33 -9.613 16.801 7.402 1.00 74.24 H new ATOM 0 HA HIS A 33 -11.833 16.137 5.832 1.00 22.11 H new ATOM 0 HB2 HIS A 33 -9.469 17.863 5.023 1.00 43.43 H new ATOM 0 HB3 HIS A 33 -11.116 17.980 4.436 1.00 43.43 H new ATOM 0 HD2 HIS A 33 -12.814 18.259 7.148 1.00 15.03 H new ATOM 0 HE1 HIS A 33 -10.058 21.290 8.247 1.00 71.13 H new ATOM 0 HE2 HIS A 33 -12.355 20.293 8.711 1.00 62.41 H new ATOM 528 N ILE A 34 -8.991 14.908 4.703 1.00 33.33 N ATOM 529 CA ILE A 34 -8.450 14.008 3.691 1.00 64.24 C ATOM 530 C ILE A 34 -8.994 12.594 3.866 1.00 51.22 C ATOM 531 O ILE A 34 -9.769 12.109 3.041 1.00 40.12 O ATOM 532 CB ILE A 34 -6.911 13.964 3.743 1.00 24.52 C ATOM 533 CG1 ILE A 34 -6.339 15.382 3.777 1.00 23.23 C ATOM 534 CG2 ILE A 34 -6.364 13.195 2.549 1.00 61.14 C ATOM 535 CD1 ILE A 34 -4.839 15.424 3.962 1.00 20.14 C ATOM 0 H ILE A 34 -8.335 15.152 5.445 1.00 33.33 H new ATOM 0 HA ILE A 34 -8.762 14.397 2.722 1.00 64.24 H new ATOM 0 HB ILE A 34 -6.607 13.449 4.654 1.00 24.52 H new ATOM 0 HG12 ILE A 34 -6.597 15.891 2.848 1.00 23.23 H new ATOM 0 HG13 ILE A 34 -6.813 15.937 4.587 1.00 23.23 H new ATOM 0 HG21 ILE A 34 -5.275 13.172 2.599 1.00 61.14 H new ATOM 0 HG22 ILE A 34 -6.750 12.176 2.565 1.00 61.14 H new ATOM 0 HG23 ILE A 34 -6.675 13.686 1.627 1.00 61.14 H new ATOM 0 HD11 ILE A 34 -4.503 16.461 3.977 1.00 20.14 H new ATOM 0 HD12 ILE A 34 -4.575 14.944 4.904 1.00 20.14 H new ATOM 0 HD13 ILE A 34 -4.356 14.898 3.139 1.00 20.14 H new ATOM 547 N VAL A 35 -8.585 11.937 4.946 1.00 14.40 N ATOM 548 CA VAL A 35 -9.033 10.580 5.231 1.00 65.33 C ATOM 549 C VAL A 35 -10.544 10.455 5.071 1.00 53.24 C ATOM 550 O VAL A 35 -11.050 9.415 4.649 1.00 11.11 O ATOM 551 CB VAL A 35 -8.642 10.147 6.657 1.00 33.22 C ATOM 552 CG1 VAL A 35 -9.168 8.752 6.956 1.00 22.34 C ATOM 553 CG2 VAL A 35 -7.133 10.206 6.836 1.00 73.10 C ATOM 0 H VAL A 35 -7.943 12.323 5.639 1.00 14.40 H new ATOM 0 HA VAL A 35 -8.539 9.927 4.512 1.00 65.33 H new ATOM 0 HB VAL A 35 -9.097 10.839 7.365 1.00 33.22 H new ATOM 0 HG11 VAL A 35 -8.882 8.464 7.968 1.00 22.34 H new ATOM 0 HG12 VAL A 35 -10.255 8.747 6.871 1.00 22.34 H new ATOM 0 HG13 VAL A 35 -8.745 8.043 6.244 1.00 22.34 H new ATOM 0 HG21 VAL A 35 -6.874 9.897 7.849 1.00 73.10 H new ATOM 0 HG22 VAL A 35 -6.655 9.538 6.120 1.00 73.10 H new ATOM 0 HG23 VAL A 35 -6.786 11.226 6.668 1.00 73.10 H new ATOM 563 N TRP A 36 -11.259 11.521 5.410 1.00 71.22 N ATOM 564 CA TRP A 36 -12.713 11.532 5.303 1.00 64.42 C ATOM 565 C TRP A 36 -13.158 11.168 3.891 1.00 1.35 C ATOM 566 O TRP A 36 -13.907 10.212 3.692 1.00 72.45 O ATOM 567 CB TRP A 36 -13.264 12.906 5.686 1.00 73.02 C ATOM 568 CG TRP A 36 -14.753 13.008 5.554 1.00 63.53 C ATOM 569 CD1 TRP A 36 -15.683 12.733 6.518 1.00 35.24 C ATOM 570 CD2 TRP A 36 -15.485 13.410 4.391 1.00 44.34 C ATOM 571 NE1 TRP A 36 -16.948 12.940 6.023 1.00 0.52 N ATOM 572 CE2 TRP A 36 -16.854 13.357 4.722 1.00 31.24 C ATOM 573 CE3 TRP A 36 -15.118 13.812 3.105 1.00 24.21 C ATOM 574 CZ2 TRP A 36 -17.852 13.689 3.810 1.00 44.23 C ATOM 575 CZ3 TRP A 36 -16.111 14.142 2.201 1.00 74.24 C ATOM 576 CH2 TRP A 36 -17.464 14.080 2.557 1.00 63.33 C ATOM 0 H TRP A 36 -10.856 12.389 5.761 1.00 71.22 H new ATOM 0 HA TRP A 36 -13.108 10.786 5.992 1.00 64.42 H new ATOM 0 HB2 TRP A 36 -12.982 13.128 6.715 1.00 73.02 H new ATOM 0 HB3 TRP A 36 -12.798 13.664 5.057 1.00 73.02 H new ATOM 0 HD1 TRP A 36 -15.457 12.402 7.521 1.00 35.24 H new ATOM 0 HE1 TRP A 36 -17.816 12.805 6.541 1.00 0.52 H new ATOM 0 HE3 TRP A 36 -14.077 13.864 2.822 1.00 24.21 H new ATOM 0 HZ2 TRP A 36 -18.896 13.640 4.082 1.00 44.23 H new ATOM 0 HZ3 TRP A 36 -15.838 14.453 1.203 1.00 74.24 H new ATOM 0 HH2 TRP A 36 -18.216 14.346 1.829 1.00 63.33 H new ATOM 587 N ALA A 37 -12.692 11.937 2.912 1.00 63.42 N ATOM 588 CA ALA A 37 -13.041 11.694 1.517 1.00 72.14 C ATOM 589 C ALA A 37 -12.665 10.277 1.097 1.00 70.43 C ATOM 590 O ALA A 37 -13.364 9.649 0.302 1.00 42.24 O ATOM 591 CB ALA A 37 -12.358 12.713 0.617 1.00 72.51 C ATOM 0 H ALA A 37 -12.072 12.733 3.059 1.00 63.42 H new ATOM 0 HA ALA A 37 -14.121 11.801 1.414 1.00 72.14 H new ATOM 0 HB1 ALA A 37 -12.627 12.520 -0.421 1.00 72.51 H new ATOM 0 HB2 ALA A 37 -12.680 13.717 0.894 1.00 72.51 H new ATOM 0 HB3 ALA A 37 -11.277 12.633 0.732 1.00 72.51 H new ATOM 597 N SER A 38 -11.556 9.780 1.635 1.00 51.21 N ATOM 598 CA SER A 38 -11.084 8.438 1.312 1.00 11.24 C ATOM 599 C SER A 38 -12.112 7.388 1.721 1.00 12.45 C ATOM 600 O SER A 38 -12.228 6.338 1.088 1.00 11.12 O ATOM 601 CB SER A 38 -9.750 8.163 2.008 1.00 31.22 C ATOM 602 OG SER A 38 -8.658 8.488 1.165 1.00 23.30 O ATOM 0 H SER A 38 -10.967 10.286 2.297 1.00 51.21 H new ATOM 0 HA SER A 38 -10.941 8.379 0.233 1.00 11.24 H new ATOM 0 HB2 SER A 38 -9.689 8.745 2.928 1.00 31.22 H new ATOM 0 HB3 SER A 38 -9.694 7.112 2.292 1.00 31.22 H new ATOM 0 HG SER A 38 -7.817 8.305 1.634 1.00 23.30 H new ATOM 608 N ARG A 39 -12.854 7.679 2.784 1.00 43.11 N ATOM 609 CA ARG A 39 -13.871 6.760 3.280 1.00 41.11 C ATOM 610 C ARG A 39 -15.157 6.882 2.467 1.00 50.30 C ATOM 611 O ARG A 39 -16.009 5.994 2.498 1.00 53.35 O ATOM 612 CB ARG A 39 -14.160 7.034 4.757 1.00 64.11 C ATOM 613 CG ARG A 39 -13.664 5.940 5.688 1.00 12.31 C ATOM 614 CD ARG A 39 -14.600 4.742 5.691 1.00 44.51 C ATOM 615 NE ARG A 39 -14.133 3.685 6.583 1.00 25.51 N ATOM 616 CZ ARG A 39 -13.124 2.871 6.292 1.00 63.15 C ATOM 617 NH1 ARG A 39 -12.480 2.993 5.140 1.00 22.33 N ATOM 618 NH2 ARG A 39 -12.758 1.932 7.156 1.00 42.13 N ATOM 0 H ARG A 39 -12.770 8.544 3.318 1.00 43.11 H new ATOM 0 HA ARG A 39 -13.490 5.744 3.174 1.00 41.11 H new ATOM 0 HB2 ARG A 39 -13.695 7.979 5.040 1.00 64.11 H new ATOM 0 HB3 ARG A 39 -15.235 7.154 4.892 1.00 64.11 H new ATOM 0 HG2 ARG A 39 -12.668 5.623 5.380 1.00 12.31 H new ATOM 0 HG3 ARG A 39 -13.574 6.335 6.700 1.00 12.31 H new ATOM 0 HD2 ARG A 39 -15.596 5.061 5.997 1.00 44.51 H new ATOM 0 HD3 ARG A 39 -14.689 4.349 4.678 1.00 44.51 H new ATOM 0 HE ARG A 39 -14.607 3.565 7.478 1.00 25.51 H new ATOM 0 HH11 ARG A 39 -12.759 3.713 4.474 1.00 22.33 H new ATOM 0 HH12 ARG A 39 -11.706 2.367 4.920 1.00 22.33 H new ATOM 0 HH21 ARG A 39 -13.251 1.835 8.043 1.00 42.13 H new ATOM 0 HH22 ARG A 39 -11.983 1.307 6.932 1.00 42.13 H new ATOM 632 N GLU A 40 -15.290 7.989 1.743 1.00 25.11 N ATOM 633 CA GLU A 40 -16.473 8.227 0.924 1.00 3.22 C ATOM 634 C GLU A 40 -16.278 7.679 -0.487 1.00 32.04 C ATOM 635 O GLU A 40 -17.189 7.087 -1.067 1.00 12.34 O ATOM 636 CB GLU A 40 -16.785 9.724 0.862 1.00 63.14 C ATOM 637 CG GLU A 40 -18.263 10.044 1.014 1.00 75.23 C ATOM 638 CD GLU A 40 -18.664 10.278 2.458 1.00 23.43 C ATOM 639 OE1 GLU A 40 -18.404 9.390 3.297 1.00 22.22 O ATOM 640 OE2 GLU A 40 -19.238 11.348 2.747 1.00 73.05 O ATOM 0 H GLU A 40 -14.594 8.734 1.707 1.00 25.11 H new ATOM 0 HA GLU A 40 -17.312 7.706 1.385 1.00 3.22 H new ATOM 0 HB2 GLU A 40 -16.228 10.236 1.647 1.00 63.14 H new ATOM 0 HB3 GLU A 40 -16.432 10.121 -0.090 1.00 63.14 H new ATOM 0 HG2 GLU A 40 -18.501 10.931 0.426 1.00 75.23 H new ATOM 0 HG3 GLU A 40 -18.852 9.223 0.606 1.00 75.23 H new ATOM 647 N LEU A 41 -15.084 7.882 -1.034 1.00 73.33 N ATOM 648 CA LEU A 41 -14.767 7.409 -2.376 1.00 34.42 C ATOM 649 C LEU A 41 -15.001 5.906 -2.494 1.00 3.22 C ATOM 650 O LEU A 41 -15.530 5.429 -3.498 1.00 64.54 O ATOM 651 CB LEU A 41 -13.314 7.738 -2.725 1.00 2.15 C ATOM 652 CG LEU A 41 -13.066 9.118 -3.334 1.00 43.40 C ATOM 653 CD1 LEU A 41 -11.583 9.328 -3.597 1.00 5.31 C ATOM 654 CD2 LEU A 41 -13.866 9.286 -4.618 1.00 2.12 C ATOM 0 H LEU A 41 -14.320 8.371 -0.568 1.00 73.33 H new ATOM 0 HA LEU A 41 -15.428 7.918 -3.078 1.00 34.42 H new ATOM 0 HB2 LEU A 41 -12.715 7.650 -1.819 1.00 2.15 H new ATOM 0 HB3 LEU A 41 -12.949 6.984 -3.423 1.00 2.15 H new ATOM 0 HG LEU A 41 -13.398 9.873 -2.621 1.00 43.40 H new ATOM 0 HD11 LEU A 41 -11.427 10.316 -4.030 1.00 5.31 H new ATOM 0 HD12 LEU A 41 -11.033 9.252 -2.659 1.00 5.31 H new ATOM 0 HD13 LEU A 41 -11.225 8.567 -4.290 1.00 5.31 H new ATOM 0 HD21 LEU A 41 -13.677 10.274 -5.038 1.00 2.12 H new ATOM 0 HD22 LEU A 41 -13.566 8.523 -5.336 1.00 2.12 H new ATOM 0 HD23 LEU A 41 -14.929 9.181 -4.401 1.00 2.12 H new ATOM 666 N GLU A 42 -14.607 5.167 -1.462 1.00 54.34 N ATOM 667 CA GLU A 42 -14.777 3.719 -1.451 1.00 53.30 C ATOM 668 C GLU A 42 -16.245 3.342 -1.623 1.00 35.43 C ATOM 669 O GLU A 42 -16.567 2.215 -1.998 1.00 34.33 O ATOM 670 CB GLU A 42 -14.237 3.131 -0.145 1.00 4.33 C ATOM 671 CG GLU A 42 -12.996 2.275 -0.330 1.00 61.15 C ATOM 672 CD GLU A 42 -11.964 2.500 0.758 1.00 44.22 C ATOM 673 OE1 GLU A 42 -11.788 3.663 1.177 1.00 42.22 O ATOM 674 OE2 GLU A 42 -11.334 1.513 1.192 1.00 2.51 O ATOM 0 H GLU A 42 -14.168 5.547 -0.623 1.00 54.34 H new ATOM 0 HA GLU A 42 -14.214 3.306 -2.288 1.00 53.30 H new ATOM 0 HB2 GLU A 42 -14.007 3.945 0.542 1.00 4.33 H new ATOM 0 HB3 GLU A 42 -15.017 2.529 0.322 1.00 4.33 H new ATOM 0 HG2 GLU A 42 -13.283 1.224 -0.341 1.00 61.15 H new ATOM 0 HG3 GLU A 42 -12.549 2.494 -1.300 1.00 61.15 H new ATOM 681 N ARG A 43 -17.131 4.293 -1.346 1.00 21.24 N ATOM 682 CA ARG A 43 -18.565 4.061 -1.470 1.00 61.33 C ATOM 683 C ARG A 43 -19.050 4.389 -2.878 1.00 74.21 C ATOM 684 O ARG A 43 -20.116 3.940 -3.299 1.00 4.00 O ATOM 685 CB ARG A 43 -19.328 4.904 -0.446 1.00 24.50 C ATOM 686 CG ARG A 43 -20.405 4.129 0.298 1.00 12.22 C ATOM 687 CD ARG A 43 -19.910 3.650 1.653 1.00 50.33 C ATOM 688 NE ARG A 43 -20.761 2.601 2.208 1.00 1.21 N ATOM 689 CZ ARG A 43 -20.377 1.778 3.177 1.00 30.12 C ATOM 690 NH1 ARG A 43 -19.162 1.883 3.697 1.00 75.14 N ATOM 691 NH2 ARG A 43 -21.209 0.847 3.628 1.00 53.44 N ATOM 0 H ARG A 43 -16.881 5.231 -1.034 1.00 21.24 H new ATOM 0 HA ARG A 43 -18.755 3.005 -1.277 1.00 61.33 H new ATOM 0 HB2 ARG A 43 -18.621 5.312 0.276 1.00 24.50 H new ATOM 0 HB3 ARG A 43 -19.788 5.751 -0.955 1.00 24.50 H new ATOM 0 HG2 ARG A 43 -21.283 4.761 0.433 1.00 12.22 H new ATOM 0 HG3 ARG A 43 -20.718 3.273 -0.300 1.00 12.22 H new ATOM 0 HD2 ARG A 43 -18.891 3.276 1.555 1.00 50.33 H new ATOM 0 HD3 ARG A 43 -19.875 4.492 2.344 1.00 50.33 H new ATOM 0 HE ARG A 43 -21.703 2.494 1.830 1.00 1.21 H new ATOM 0 HH11 ARG A 43 -18.520 2.597 3.353 1.00 75.14 H new ATOM 0 HH12 ARG A 43 -18.869 1.250 4.441 1.00 75.14 H new ATOM 0 HH21 ARG A 43 -22.144 0.763 3.230 1.00 53.44 H new ATOM 0 HH22 ARG A 43 -20.913 0.216 4.372 1.00 53.44 H new ATOM 705 N PHE A 44 -18.261 5.176 -3.602 1.00 55.03 N ATOM 706 CA PHE A 44 -18.610 5.565 -4.963 1.00 11.53 C ATOM 707 C PHE A 44 -17.918 4.664 -5.981 1.00 11.54 C ATOM 708 O PHE A 44 -17.712 5.053 -7.132 1.00 44.05 O ATOM 709 CB PHE A 44 -18.226 7.025 -5.212 1.00 12.33 C ATOM 710 CG PHE A 44 -19.057 8.005 -4.436 1.00 12.42 C ATOM 711 CD1 PHE A 44 -20.432 8.055 -4.604 1.00 74.12 C ATOM 712 CD2 PHE A 44 -18.464 8.878 -3.537 1.00 3.15 C ATOM 713 CE1 PHE A 44 -21.200 8.955 -3.890 1.00 52.31 C ATOM 714 CE2 PHE A 44 -19.227 9.781 -2.820 1.00 3.25 C ATOM 715 CZ PHE A 44 -20.597 9.820 -2.999 1.00 40.33 C ATOM 0 H PHE A 44 -17.375 5.557 -3.269 1.00 55.03 H new ATOM 0 HA PHE A 44 -19.688 5.455 -5.081 1.00 11.53 H new ATOM 0 HB2 PHE A 44 -17.177 7.165 -4.953 1.00 12.33 H new ATOM 0 HB3 PHE A 44 -18.323 7.241 -6.276 1.00 12.33 H new ATOM 0 HD1 PHE A 44 -20.909 7.382 -5.301 1.00 74.12 H new ATOM 0 HD2 PHE A 44 -17.394 8.852 -3.395 1.00 3.15 H new ATOM 0 HE1 PHE A 44 -22.271 8.982 -4.029 1.00 52.31 H new ATOM 0 HE2 PHE A 44 -18.753 10.455 -2.121 1.00 3.25 H new ATOM 0 HZ PHE A 44 -21.195 10.526 -2.442 1.00 40.33 H new ATOM 725 N ALA A 45 -17.561 3.459 -5.550 1.00 13.14 N ATOM 726 CA ALA A 45 -16.894 2.503 -6.424 1.00 71.41 C ATOM 727 C ALA A 45 -15.521 3.011 -6.849 1.00 1.34 C ATOM 728 O ALA A 45 -14.984 2.595 -7.877 1.00 43.12 O ATOM 729 CB ALA A 45 -17.754 2.213 -7.645 1.00 52.13 C ATOM 0 H ALA A 45 -17.723 3.122 -4.601 1.00 13.14 H new ATOM 0 HA ALA A 45 -16.752 1.577 -5.866 1.00 71.41 H new ATOM 0 HB1 ALA A 45 -17.243 1.497 -8.289 1.00 52.13 H new ATOM 0 HB2 ALA A 45 -18.710 1.796 -7.326 1.00 52.13 H new ATOM 0 HB3 ALA A 45 -17.927 3.137 -8.196 1.00 52.13 H new ATOM 735 N VAL A 46 -14.958 3.916 -6.055 1.00 71.43 N ATOM 736 CA VAL A 46 -13.647 4.482 -6.350 1.00 51.02 C ATOM 737 C VAL A 46 -12.668 4.226 -5.209 1.00 44.10 C ATOM 738 O VAL A 46 -12.978 4.474 -4.045 1.00 62.40 O ATOM 739 CB VAL A 46 -13.735 5.998 -6.605 1.00 54.33 C ATOM 740 CG1 VAL A 46 -12.348 6.588 -6.805 1.00 53.32 C ATOM 741 CG2 VAL A 46 -14.623 6.286 -7.806 1.00 63.31 C ATOM 0 H VAL A 46 -15.389 4.273 -5.202 1.00 71.43 H new ATOM 0 HA VAL A 46 -13.286 3.989 -7.253 1.00 51.02 H new ATOM 0 HB VAL A 46 -14.182 6.470 -5.730 1.00 54.33 H new ATOM 0 HG11 VAL A 46 -12.431 7.660 -6.984 1.00 53.32 H new ATOM 0 HG12 VAL A 46 -11.747 6.414 -5.913 1.00 53.32 H new ATOM 0 HG13 VAL A 46 -11.871 6.113 -7.662 1.00 53.32 H new ATOM 0 HG21 VAL A 46 -14.674 7.362 -7.971 1.00 63.31 H new ATOM 0 HG22 VAL A 46 -14.208 5.802 -8.690 1.00 63.31 H new ATOM 0 HG23 VAL A 46 -15.625 5.900 -7.618 1.00 63.31 H new ATOM 751 N ASN A 47 -11.485 3.729 -5.553 1.00 73.34 N ATOM 752 CA ASN A 47 -10.460 3.438 -4.557 1.00 13.20 C ATOM 753 C ASN A 47 -9.822 4.725 -4.042 1.00 12.11 C ATOM 754 O ASN A 47 -9.568 5.666 -4.794 1.00 3.50 O ATOM 755 CB ASN A 47 -9.384 2.527 -5.152 1.00 22.45 C ATOM 756 CG ASN A 47 -9.813 1.072 -5.184 1.00 23.14 C ATOM 757 OD1 ASN A 47 -10.923 0.731 -4.772 1.00 14.41 O ATOM 758 ND2 ASN A 47 -8.934 0.207 -5.676 1.00 61.12 N ATOM 0 H ASN A 47 -11.212 3.519 -6.513 1.00 73.34 H new ATOM 0 HA ASN A 47 -10.937 2.928 -3.720 1.00 13.20 H new ATOM 0 HB2 ASN A 47 -9.151 2.857 -6.164 1.00 22.45 H new ATOM 0 HB3 ASN A 47 -8.469 2.621 -4.568 1.00 22.45 H new ATOM 0 HD21 ASN A 47 -9.167 -0.785 -5.724 1.00 61.12 H new ATOM 0 HD22 ASN A 47 -8.026 0.534 -6.006 1.00 61.12 H new ATOM 765 N PRO A 48 -9.554 4.768 -2.728 1.00 45.10 N ATOM 766 CA PRO A 48 -8.943 5.934 -2.082 1.00 35.53 C ATOM 767 C PRO A 48 -7.483 6.118 -2.484 1.00 11.15 C ATOM 768 O PRO A 48 -6.849 7.108 -2.121 1.00 63.34 O ATOM 769 CB PRO A 48 -9.049 5.609 -0.591 1.00 71.53 C ATOM 770 CG PRO A 48 -9.104 4.121 -0.530 1.00 64.15 C ATOM 771 CD PRO A 48 -9.830 3.683 -1.772 1.00 21.41 C ATOM 0 HA PRO A 48 -9.437 6.863 -2.366 1.00 35.53 H new ATOM 0 HB2 PRO A 48 -8.192 5.996 -0.040 1.00 71.53 H new ATOM 0 HB3 PRO A 48 -9.940 6.056 -0.151 1.00 71.53 H new ATOM 0 HG2 PRO A 48 -8.102 3.695 -0.493 1.00 64.15 H new ATOM 0 HG3 PRO A 48 -9.626 3.786 0.366 1.00 64.15 H new ATOM 0 HD2 PRO A 48 -9.462 2.724 -2.136 1.00 21.41 H new ATOM 0 HD3 PRO A 48 -10.899 3.567 -1.593 1.00 21.41 H new ATOM 779 N GLY A 49 -6.956 5.159 -3.238 1.00 34.44 N ATOM 780 CA GLY A 49 -5.574 5.235 -3.678 1.00 5.02 C ATOM 781 C GLY A 49 -5.372 6.257 -4.780 1.00 62.05 C ATOM 782 O GLY A 49 -4.239 6.615 -5.105 1.00 62.41 O ATOM 0 H GLY A 49 -7.461 4.330 -3.553 1.00 34.44 H new ATOM 0 HA2 GLY A 49 -4.939 5.490 -2.829 1.00 5.02 H new ATOM 0 HA3 GLY A 49 -5.254 4.255 -4.032 1.00 5.02 H new ATOM 786 N LEU A 50 -6.472 6.727 -5.357 1.00 23.20 N ATOM 787 CA LEU A 50 -6.411 7.712 -6.431 1.00 12.31 C ATOM 788 C LEU A 50 -6.330 9.128 -5.867 1.00 75.21 C ATOM 789 O LEU A 50 -6.471 10.108 -6.599 1.00 62.12 O ATOM 790 CB LEU A 50 -7.636 7.584 -7.339 1.00 32.41 C ATOM 791 CG LEU A 50 -8.043 6.159 -7.717 1.00 64.10 C ATOM 792 CD1 LEU A 50 -9.467 6.134 -8.250 1.00 43.15 C ATOM 793 CD2 LEU A 50 -7.079 5.583 -8.743 1.00 35.02 C ATOM 0 H LEU A 50 -7.417 6.442 -5.099 1.00 23.20 H new ATOM 0 HA LEU A 50 -5.511 7.520 -7.015 1.00 12.31 H new ATOM 0 HB2 LEU A 50 -8.481 8.063 -6.845 1.00 32.41 H new ATOM 0 HB3 LEU A 50 -7.444 8.141 -8.256 1.00 32.41 H new ATOM 0 HG LEU A 50 -8.001 5.541 -6.820 1.00 64.10 H new ATOM 0 HD11 LEU A 50 -9.739 5.112 -8.514 1.00 43.15 H new ATOM 0 HD12 LEU A 50 -10.149 6.505 -7.484 1.00 43.15 H new ATOM 0 HD13 LEU A 50 -9.536 6.767 -9.134 1.00 43.15 H new ATOM 0 HD21 LEU A 50 -7.384 4.569 -9.000 1.00 35.02 H new ATOM 0 HD22 LEU A 50 -7.089 6.203 -9.639 1.00 35.02 H new ATOM 0 HD23 LEU A 50 -6.072 5.564 -8.326 1.00 35.02 H new ATOM 805 N LEU A 51 -6.099 9.227 -4.562 1.00 34.31 N ATOM 806 CA LEU A 51 -5.996 10.522 -3.900 1.00 71.22 C ATOM 807 C LEU A 51 -4.540 10.870 -3.608 1.00 3.54 C ATOM 808 O LEU A 51 -4.181 12.042 -3.504 1.00 12.54 O ATOM 809 CB LEU A 51 -6.801 10.517 -2.599 1.00 21.12 C ATOM 810 CG LEU A 51 -8.293 10.212 -2.735 1.00 23.22 C ATOM 811 CD1 LEU A 51 -8.889 9.846 -1.385 1.00 74.42 C ATOM 812 CD2 LEU A 51 -9.028 11.400 -3.340 1.00 65.52 C ATOM 0 H LEU A 51 -5.980 8.426 -3.942 1.00 34.31 H new ATOM 0 HA LEU A 51 -6.404 11.278 -4.570 1.00 71.22 H new ATOM 0 HB2 LEU A 51 -6.360 9.782 -1.925 1.00 21.12 H new ATOM 0 HB3 LEU A 51 -6.692 11.492 -2.124 1.00 21.12 H new ATOM 0 HG LEU A 51 -8.410 9.359 -3.404 1.00 23.22 H new ATOM 0 HD11 LEU A 51 -9.951 9.632 -1.502 1.00 74.42 H new ATOM 0 HD12 LEU A 51 -8.383 8.965 -0.991 1.00 74.42 H new ATOM 0 HD13 LEU A 51 -8.760 10.678 -0.693 1.00 74.42 H new ATOM 0 HD21 LEU A 51 -10.089 11.165 -3.429 1.00 65.52 H new ATOM 0 HD22 LEU A 51 -8.902 12.271 -2.697 1.00 65.52 H new ATOM 0 HD23 LEU A 51 -8.620 11.616 -4.327 1.00 65.52 H new ATOM 824 N GLU A 52 -3.706 9.843 -3.479 1.00 40.35 N ATOM 825 CA GLU A 52 -2.288 10.041 -3.200 1.00 61.13 C ATOM 826 C GLU A 52 -1.576 10.649 -4.406 1.00 64.53 C ATOM 827 O GLU A 52 -0.526 11.276 -4.270 1.00 45.42 O ATOM 828 CB GLU A 52 -1.630 8.713 -2.820 1.00 12.54 C ATOM 829 CG GLU A 52 -1.449 7.766 -3.995 1.00 14.12 C ATOM 830 CD GLU A 52 -1.316 6.320 -3.562 1.00 32.42 C ATOM 831 OE1 GLU A 52 -0.200 5.915 -3.175 1.00 22.41 O ATOM 832 OE2 GLU A 52 -2.329 5.590 -3.611 1.00 44.52 O ATOM 0 H GLU A 52 -3.987 8.866 -3.563 1.00 40.35 H new ATOM 0 HA GLU A 52 -2.201 10.733 -2.362 1.00 61.13 H new ATOM 0 HB2 GLU A 52 -0.657 8.914 -2.373 1.00 12.54 H new ATOM 0 HB3 GLU A 52 -2.235 8.222 -2.058 1.00 12.54 H new ATOM 0 HG2 GLU A 52 -2.300 7.863 -4.669 1.00 14.12 H new ATOM 0 HG3 GLU A 52 -0.562 8.056 -4.558 1.00 14.12 H new ATOM 839 N THR A 53 -2.157 10.457 -5.586 1.00 72.04 N ATOM 840 CA THR A 53 -1.579 10.983 -6.816 1.00 12.33 C ATOM 841 C THR A 53 -2.513 11.992 -7.474 1.00 45.42 C ATOM 842 O THR A 53 -3.679 11.697 -7.732 1.00 23.25 O ATOM 843 CB THR A 53 -1.271 9.857 -7.820 1.00 61.45 C ATOM 844 OG1 THR A 53 -2.366 9.696 -8.728 1.00 61.02 O ATOM 845 CG2 THR A 53 -1.009 8.544 -7.096 1.00 42.45 C ATOM 0 H THR A 53 -3.027 9.941 -5.716 1.00 72.04 H new ATOM 0 HA THR A 53 -0.648 11.478 -6.540 1.00 12.33 H new ATOM 0 HB THR A 53 -0.376 10.132 -8.377 1.00 61.45 H new ATOM 0 HG1 THR A 53 -2.161 8.979 -9.364 1.00 61.02 H new ATOM 0 HG21 THR A 53 -0.794 7.763 -7.825 1.00 42.45 H new ATOM 0 HG22 THR A 53 -0.156 8.661 -6.427 1.00 42.45 H new ATOM 0 HG23 THR A 53 -1.889 8.266 -6.516 1.00 42.45 H new ATOM 853 N SER A 54 -1.992 13.186 -7.744 1.00 23.14 N ATOM 854 CA SER A 54 -2.781 14.240 -8.370 1.00 53.55 C ATOM 855 C SER A 54 -3.503 13.717 -9.609 1.00 51.15 C ATOM 856 O SER A 54 -4.617 14.138 -9.914 1.00 45.13 O ATOM 857 CB SER A 54 -1.884 15.421 -8.749 1.00 65.21 C ATOM 858 OG SER A 54 -1.734 15.516 -10.154 1.00 33.35 O ATOM 0 H SER A 54 -1.027 13.447 -7.539 1.00 23.14 H new ATOM 0 HA SER A 54 -3.528 14.576 -7.651 1.00 53.55 H new ATOM 0 HB2 SER A 54 -2.312 16.346 -8.362 1.00 65.21 H new ATOM 0 HB3 SER A 54 -0.906 15.303 -8.283 1.00 65.21 H new ATOM 0 HG SER A 54 -1.158 16.279 -10.371 1.00 33.35 H new ATOM 864 N GLU A 55 -2.857 12.796 -10.317 1.00 64.54 N ATOM 865 CA GLU A 55 -3.436 12.215 -11.522 1.00 43.11 C ATOM 866 C GLU A 55 -4.753 11.511 -11.208 1.00 64.54 C ATOM 867 O GLU A 55 -5.692 11.543 -12.003 1.00 33.31 O ATOM 868 CB GLU A 55 -2.458 11.228 -12.160 1.00 33.34 C ATOM 869 CG GLU A 55 -2.270 11.436 -13.654 1.00 11.53 C ATOM 870 CD GLU A 55 -1.016 10.766 -14.184 1.00 44.33 C ATOM 871 OE1 GLU A 55 0.079 11.061 -13.662 1.00 30.54 O ATOM 872 OE2 GLU A 55 -1.133 9.948 -15.120 1.00 13.31 O ATOM 0 H GLU A 55 -1.933 12.437 -10.077 1.00 64.54 H new ATOM 0 HA GLU A 55 -3.635 13.024 -12.225 1.00 43.11 H new ATOM 0 HB2 GLU A 55 -1.491 11.317 -11.665 1.00 33.34 H new ATOM 0 HB3 GLU A 55 -2.814 10.213 -11.985 1.00 33.34 H new ATOM 0 HG2 GLU A 55 -3.138 11.044 -14.184 1.00 11.53 H new ATOM 0 HG3 GLU A 55 -2.223 12.504 -13.865 1.00 11.53 H new ATOM 879 N GLY A 56 -4.814 10.875 -10.042 1.00 62.33 N ATOM 880 CA GLY A 56 -6.020 10.171 -9.642 1.00 15.05 C ATOM 881 C GLY A 56 -7.134 11.114 -9.234 1.00 51.40 C ATOM 882 O GLY A 56 -8.306 10.858 -9.511 1.00 14.11 O ATOM 0 H GLY A 56 -4.050 10.834 -9.367 1.00 62.33 H new ATOM 0 HA2 GLY A 56 -6.362 9.545 -10.466 1.00 15.05 H new ATOM 0 HA3 GLY A 56 -5.789 9.505 -8.811 1.00 15.05 H new ATOM 886 N CYS A 57 -6.768 12.207 -8.572 1.00 31.34 N ATOM 887 CA CYS A 57 -7.746 13.192 -8.122 1.00 21.44 C ATOM 888 C CYS A 57 -8.417 13.875 -9.310 1.00 34.32 C ATOM 889 O CYS A 57 -9.489 14.465 -9.176 1.00 54.03 O ATOM 890 CB CYS A 57 -7.076 14.236 -7.230 1.00 54.45 C ATOM 891 SG CYS A 57 -7.081 13.817 -5.471 1.00 33.20 S ATOM 0 H CYS A 57 -5.802 12.433 -8.335 1.00 31.34 H new ATOM 0 HA CYS A 57 -8.511 12.671 -7.547 1.00 21.44 H new ATOM 0 HB2 CYS A 57 -6.045 14.370 -7.558 1.00 54.45 H new ATOM 0 HB3 CYS A 57 -7.581 15.192 -7.366 1.00 54.45 H new ATOM 0 HG CYS A 57 -7.106 14.908 -4.765 1.00 33.20 H new ATOM 897 N ARG A 58 -7.776 13.792 -10.473 1.00 60.14 N ATOM 898 CA ARG A 58 -8.309 14.404 -11.683 1.00 44.51 C ATOM 899 C ARG A 58 -9.527 13.637 -12.190 1.00 44.50 C ATOM 900 O ARG A 58 -10.538 14.235 -12.559 1.00 72.52 O ATOM 901 CB ARG A 58 -7.234 14.453 -12.771 1.00 3.00 C ATOM 902 CG ARG A 58 -7.705 15.101 -14.063 1.00 31.11 C ATOM 903 CD ARG A 58 -8.130 14.059 -15.086 1.00 70.12 C ATOM 904 NE ARG A 58 -7.432 14.224 -16.358 1.00 42.25 N ATOM 905 CZ ARG A 58 -6.152 13.920 -16.538 1.00 24.04 C ATOM 906 NH1 ARG A 58 -5.433 13.437 -15.534 1.00 24.52 N ATOM 907 NH2 ARG A 58 -5.588 14.098 -17.726 1.00 35.20 N ATOM 0 H ARG A 58 -6.888 13.307 -10.601 1.00 60.14 H new ATOM 0 HA ARG A 58 -8.617 15.421 -11.440 1.00 44.51 H new ATOM 0 HB2 ARG A 58 -6.371 15.001 -12.393 1.00 3.00 H new ATOM 0 HB3 ARG A 58 -6.898 13.438 -12.985 1.00 3.00 H new ATOM 0 HG2 ARG A 58 -8.541 15.768 -13.853 1.00 31.11 H new ATOM 0 HG3 ARG A 58 -6.904 15.714 -14.477 1.00 31.11 H new ATOM 0 HD2 ARG A 58 -7.933 13.062 -14.691 1.00 70.12 H new ATOM 0 HD3 ARG A 58 -9.205 14.130 -15.251 1.00 70.12 H new ATOM 0 HE ARG A 58 -7.956 14.593 -17.151 1.00 42.25 H new ATOM 0 HH11 ARG A 58 -5.863 13.298 -14.620 1.00 24.52 H new ATOM 0 HH12 ARG A 58 -4.450 13.205 -15.676 1.00 24.52 H new ATOM 0 HH21 ARG A 58 -6.138 14.468 -18.501 1.00 35.20 H new ATOM 0 HH22 ARG A 58 -4.605 13.864 -17.864 1.00 35.20 H new ATOM 921 N GLN A 59 -9.422 12.313 -12.205 1.00 35.20 N ATOM 922 CA GLN A 59 -10.514 11.465 -12.669 1.00 73.24 C ATOM 923 C GLN A 59 -11.702 11.540 -11.716 1.00 71.53 C ATOM 924 O GLN A 59 -12.852 11.386 -12.128 1.00 1.25 O ATOM 925 CB GLN A 59 -10.042 10.016 -12.801 1.00 73.31 C ATOM 926 CG GLN A 59 -10.305 9.413 -14.171 1.00 4.45 C ATOM 927 CD GLN A 59 -9.066 9.384 -15.045 1.00 41.31 C ATOM 928 OE1 GLN A 59 -8.223 8.498 -14.916 1.00 53.23 O ATOM 929 NE2 GLN A 59 -8.951 10.358 -15.942 1.00 75.34 N ATOM 0 H GLN A 59 -8.592 11.804 -11.901 1.00 35.20 H new ATOM 0 HA GLN A 59 -10.832 11.826 -13.647 1.00 73.24 H new ATOM 0 HB2 GLN A 59 -8.973 9.970 -12.592 1.00 73.31 H new ATOM 0 HB3 GLN A 59 -10.541 9.410 -12.045 1.00 73.31 H new ATOM 0 HG2 GLN A 59 -10.683 8.398 -14.050 1.00 4.45 H new ATOM 0 HG3 GLN A 59 -11.085 9.986 -14.672 1.00 4.45 H new ATOM 0 HE21 GLN A 59 -9.675 11.073 -16.014 1.00 75.34 H new ATOM 0 HE22 GLN A 59 -8.139 10.391 -16.558 1.00 75.34 H new ATOM 938 N ILE A 60 -11.417 11.775 -10.440 1.00 53.24 N ATOM 939 CA ILE A 60 -12.463 11.871 -9.428 1.00 13.13 C ATOM 940 C ILE A 60 -13.276 13.150 -9.599 1.00 72.23 C ATOM 941 O ILE A 60 -14.501 13.140 -9.474 1.00 1.03 O ATOM 942 CB ILE A 60 -11.875 11.835 -8.005 1.00 33.30 C ATOM 943 CG1 ILE A 60 -11.054 10.561 -7.801 1.00 31.52 C ATOM 944 CG2 ILE A 60 -12.986 11.927 -6.971 1.00 44.44 C ATOM 945 CD1 ILE A 60 -10.127 10.623 -6.608 1.00 40.43 C ATOM 0 H ILE A 60 -10.471 11.903 -10.082 1.00 53.24 H new ATOM 0 HA ILE A 60 -13.115 11.008 -9.564 1.00 13.13 H new ATOM 0 HB ILE A 60 -11.215 12.693 -7.878 1.00 33.30 H new ATOM 0 HG12 ILE A 60 -11.733 9.717 -7.680 1.00 31.52 H new ATOM 0 HG13 ILE A 60 -10.465 10.370 -8.698 1.00 31.52 H new ATOM 0 HG21 ILE A 60 -12.555 11.900 -5.970 1.00 44.44 H new ATOM 0 HG22 ILE A 60 -13.532 12.861 -7.106 1.00 44.44 H new ATOM 0 HG23 ILE A 60 -13.669 11.086 -7.095 1.00 44.44 H new ATOM 0 HD11 ILE A 60 -9.577 9.685 -6.525 1.00 40.43 H new ATOM 0 HD12 ILE A 60 -9.424 11.446 -6.736 1.00 40.43 H new ATOM 0 HD13 ILE A 60 -10.711 10.782 -5.701 1.00 40.43 H new ATOM 957 N LEU A 61 -12.588 14.248 -9.885 1.00 54.31 N ATOM 958 CA LEU A 61 -13.246 15.537 -10.074 1.00 52.11 C ATOM 959 C LEU A 61 -13.980 15.582 -11.411 1.00 72.44 C ATOM 960 O LEU A 61 -15.103 16.076 -11.496 1.00 12.13 O ATOM 961 CB LEU A 61 -12.221 16.671 -10.004 1.00 71.22 C ATOM 962 CG LEU A 61 -11.508 16.849 -8.664 1.00 71.03 C ATOM 963 CD1 LEU A 61 -10.270 17.718 -8.828 1.00 23.13 C ATOM 964 CD2 LEU A 61 -12.452 17.451 -7.633 1.00 52.25 C ATOM 0 H LEU A 61 -11.574 14.273 -9.991 1.00 54.31 H new ATOM 0 HA LEU A 61 -13.976 15.665 -9.274 1.00 52.11 H new ATOM 0 HB2 LEU A 61 -11.468 16.501 -10.774 1.00 71.22 H new ATOM 0 HB3 LEU A 61 -12.725 17.605 -10.252 1.00 71.22 H new ATOM 0 HG LEU A 61 -11.193 15.868 -8.309 1.00 71.03 H new ATOM 0 HD11 LEU A 61 -9.776 17.833 -7.863 1.00 23.13 H new ATOM 0 HD12 LEU A 61 -9.585 17.246 -9.532 1.00 23.13 H new ATOM 0 HD13 LEU A 61 -10.561 18.698 -9.206 1.00 23.13 H new ATOM 0 HD21 LEU A 61 -11.927 17.571 -6.685 1.00 52.25 H new ATOM 0 HD22 LEU A 61 -12.798 18.424 -7.981 1.00 52.25 H new ATOM 0 HD23 LEU A 61 -13.307 16.790 -7.493 1.00 52.25 H new ATOM 976 N GLY A 62 -13.338 15.059 -12.451 1.00 73.11 N ATOM 977 CA GLY A 62 -13.946 15.048 -13.768 1.00 63.41 C ATOM 978 C GLY A 62 -15.144 14.123 -13.846 1.00 70.44 C ATOM 979 O GLY A 62 -15.971 14.243 -14.749 1.00 70.25 O ATOM 0 H GLY A 62 -12.408 14.643 -12.405 1.00 73.11 H new ATOM 0 HA2 GLY A 62 -14.255 16.060 -14.031 1.00 63.41 H new ATOM 0 HA3 GLY A 62 -13.204 14.740 -14.505 1.00 63.41 H new ATOM 983 N GLN A 63 -15.237 13.196 -12.898 1.00 70.04 N ATOM 984 CA GLN A 63 -16.341 12.245 -12.864 1.00 4.14 C ATOM 985 C GLN A 63 -17.564 12.854 -12.185 1.00 10.33 C ATOM 986 O GLN A 63 -18.689 12.715 -12.667 1.00 20.34 O ATOM 987 CB GLN A 63 -15.922 10.968 -12.134 1.00 10.14 C ATOM 988 CG GLN A 63 -15.580 9.818 -13.068 1.00 61.53 C ATOM 989 CD GLN A 63 -14.912 8.662 -12.349 1.00 54.10 C ATOM 990 OE1 GLN A 63 -13.777 8.297 -12.657 1.00 34.32 O ATOM 991 NE2 GLN A 63 -15.614 8.079 -11.384 1.00 50.52 N ATOM 0 H GLN A 63 -14.560 13.084 -12.143 1.00 70.04 H new ATOM 0 HA GLN A 63 -16.604 11.997 -13.892 1.00 4.14 H new ATOM 0 HB2 GLN A 63 -15.058 11.185 -11.507 1.00 10.14 H new ATOM 0 HB3 GLN A 63 -16.728 10.658 -11.469 1.00 10.14 H new ATOM 0 HG2 GLN A 63 -16.491 9.463 -13.550 1.00 61.53 H new ATOM 0 HG3 GLN A 63 -14.921 10.180 -13.857 1.00 61.53 H new ATOM 0 HE21 GLN A 63 -16.551 8.414 -11.162 1.00 50.52 H new ATOM 0 HE22 GLN A 63 -15.216 7.296 -10.865 1.00 50.52 H new ATOM 1000 N LEU A 64 -17.337 13.530 -11.065 1.00 41.24 N ATOM 1001 CA LEU A 64 -18.420 14.161 -10.319 1.00 51.33 C ATOM 1002 C LEU A 64 -18.856 15.461 -10.987 1.00 5.13 C ATOM 1003 O LEU A 64 -20.002 15.886 -10.847 1.00 2.43 O ATOM 1004 CB LEU A 64 -17.982 14.437 -8.880 1.00 51.13 C ATOM 1005 CG LEU A 64 -17.473 13.231 -8.090 1.00 33.32 C ATOM 1006 CD1 LEU A 64 -16.778 13.682 -6.815 1.00 70.20 C ATOM 1007 CD2 LEU A 64 -18.618 12.281 -7.768 1.00 1.13 C ATOM 0 H LEU A 64 -16.412 13.656 -10.653 1.00 41.24 H new ATOM 0 HA LEU A 64 -19.268 13.476 -10.309 1.00 51.33 H new ATOM 0 HB2 LEU A 64 -17.196 15.192 -8.899 1.00 51.13 H new ATOM 0 HB3 LEU A 64 -18.825 14.869 -8.341 1.00 51.13 H new ATOM 0 HG LEU A 64 -16.748 12.699 -8.706 1.00 33.32 H new ATOM 0 HD11 LEU A 64 -16.423 12.810 -6.266 1.00 70.20 H new ATOM 0 HD12 LEU A 64 -15.932 14.321 -7.068 1.00 70.20 H new ATOM 0 HD13 LEU A 64 -17.481 14.239 -6.195 1.00 70.20 H new ATOM 0 HD21 LEU A 64 -18.236 11.429 -7.206 1.00 1.13 H new ATOM 0 HD22 LEU A 64 -19.367 12.803 -7.173 1.00 1.13 H new ATOM 0 HD23 LEU A 64 -19.071 11.930 -8.695 1.00 1.13 H new ATOM 1019 N GLN A 65 -17.936 16.084 -11.716 1.00 42.13 N ATOM 1020 CA GLN A 65 -18.227 17.334 -12.407 1.00 55.40 C ATOM 1021 C GLN A 65 -19.699 17.410 -12.798 1.00 2.41 C ATOM 1022 O GLN A 65 -20.432 18.309 -12.383 1.00 73.15 O ATOM 1023 CB GLN A 65 -17.350 17.469 -13.652 1.00 33.34 C ATOM 1024 CG GLN A 65 -16.295 18.559 -13.540 1.00 72.25 C ATOM 1025 CD GLN A 65 -16.885 19.952 -13.624 1.00 52.32 C ATOM 1026 OE1 GLN A 65 -18.073 20.153 -13.367 1.00 70.43 O ATOM 1027 NE2 GLN A 65 -16.057 20.925 -13.985 1.00 73.01 N ATOM 0 H GLN A 65 -16.983 15.744 -11.843 1.00 42.13 H new ATOM 0 HA GLN A 65 -18.008 18.156 -11.725 1.00 55.40 H new ATOM 0 HB2 GLN A 65 -16.857 16.516 -13.843 1.00 33.34 H new ATOM 0 HB3 GLN A 65 -17.985 17.677 -14.513 1.00 33.34 H new ATOM 0 HG2 GLN A 65 -15.764 18.450 -12.594 1.00 72.25 H new ATOM 0 HG3 GLN A 65 -15.560 18.431 -14.335 1.00 72.25 H new ATOM 0 HE21 GLN A 65 -15.080 20.714 -14.189 1.00 73.01 H new ATOM 0 HE22 GLN A 65 -16.398 21.884 -14.058 1.00 73.01 H new ATOM 1036 N PRO A 66 -20.145 16.446 -13.616 1.00 25.30 N ATOM 1037 CA PRO A 66 -21.534 16.382 -14.080 1.00 23.21 C ATOM 1038 C PRO A 66 -22.504 16.016 -12.961 1.00 73.20 C ATOM 1039 O PRO A 66 -23.538 16.660 -12.789 1.00 53.34 O ATOM 1040 CB PRO A 66 -21.503 15.278 -15.142 1.00 10.51 C ATOM 1041 CG PRO A 66 -20.346 14.420 -14.762 1.00 10.30 C ATOM 1042 CD PRO A 66 -19.329 15.343 -14.150 1.00 22.13 C ATOM 0 HA PRO A 66 -21.882 17.344 -14.455 1.00 23.21 H new ATOM 0 HB2 PRO A 66 -22.433 14.709 -15.149 1.00 10.51 H new ATOM 0 HB3 PRO A 66 -21.376 15.694 -16.142 1.00 10.51 H new ATOM 0 HG2 PRO A 66 -20.648 13.648 -14.054 1.00 10.30 H new ATOM 0 HG3 PRO A 66 -19.936 13.910 -15.634 1.00 10.30 H new ATOM 0 HD2 PRO A 66 -18.759 14.848 -13.364 1.00 22.13 H new ATOM 0 HD3 PRO A 66 -18.611 15.696 -14.890 1.00 22.13 H new ATOM 1050 N SER A 67 -22.162 14.978 -12.204 1.00 41.42 N ATOM 1051 CA SER A 67 -23.004 14.525 -11.103 1.00 55.44 C ATOM 1052 C SER A 67 -23.343 15.682 -10.167 1.00 74.14 C ATOM 1053 O SER A 67 -24.260 15.587 -9.350 1.00 25.21 O ATOM 1054 CB SER A 67 -22.304 13.412 -10.322 1.00 34.51 C ATOM 1055 OG SER A 67 -22.080 12.278 -11.142 1.00 21.45 O ATOM 0 H SER A 67 -21.308 14.435 -12.333 1.00 41.42 H new ATOM 0 HA SER A 67 -23.931 14.136 -11.524 1.00 55.44 H new ATOM 0 HB2 SER A 67 -21.353 13.778 -9.934 1.00 34.51 H new ATOM 0 HB3 SER A 67 -22.911 13.129 -9.462 1.00 34.51 H new ATOM 0 HG SER A 67 -21.630 11.581 -10.621 1.00 21.45 H new ATOM 1061 N LEU A 68 -22.597 16.774 -10.292 1.00 12.42 N ATOM 1062 CA LEU A 68 -22.817 17.950 -9.457 1.00 13.34 C ATOM 1063 C LEU A 68 -24.203 18.538 -9.700 1.00 4.41 C ATOM 1064 O LEU A 68 -24.725 19.284 -8.872 1.00 35.11 O ATOM 1065 CB LEU A 68 -21.747 19.007 -9.739 1.00 60.20 C ATOM 1066 CG LEU A 68 -20.345 18.699 -9.211 1.00 33.42 C ATOM 1067 CD1 LEU A 68 -19.311 19.575 -9.900 1.00 34.15 C ATOM 1068 CD2 LEU A 68 -20.289 18.889 -7.703 1.00 54.40 C ATOM 0 H LEU A 68 -21.835 16.870 -10.963 1.00 12.42 H new ATOM 0 HA LEU A 68 -22.750 17.642 -8.414 1.00 13.34 H new ATOM 0 HB2 LEU A 68 -21.684 19.153 -10.817 1.00 60.20 H new ATOM 0 HB3 LEU A 68 -22.076 19.953 -9.308 1.00 60.20 H new ATOM 0 HG LEU A 68 -20.114 17.657 -9.434 1.00 33.42 H new ATOM 0 HD11 LEU A 68 -18.320 19.342 -9.512 1.00 34.15 H new ATOM 0 HD12 LEU A 68 -19.333 19.388 -10.974 1.00 34.15 H new ATOM 0 HD13 LEU A 68 -19.538 20.624 -9.709 1.00 34.15 H new ATOM 0 HD21 LEU A 68 -19.284 18.665 -7.345 1.00 54.40 H new ATOM 0 HD22 LEU A 68 -20.541 19.921 -7.457 1.00 54.40 H new ATOM 0 HD23 LEU A 68 -21.002 18.217 -7.225 1.00 54.40 H new ATOM 1080 N GLN A 69 -24.795 18.195 -10.840 1.00 12.22 N ATOM 1081 CA GLN A 69 -26.122 18.688 -11.190 1.00 72.23 C ATOM 1082 C GLN A 69 -27.113 18.431 -10.059 1.00 4.13 C ATOM 1083 O GLN A 69 -27.914 19.300 -9.711 1.00 31.24 O ATOM 1084 CB GLN A 69 -26.613 18.022 -12.476 1.00 24.23 C ATOM 1085 CG GLN A 69 -28.070 18.318 -12.796 1.00 32.51 C ATOM 1086 CD GLN A 69 -28.321 18.474 -14.282 1.00 11.42 C ATOM 1087 OE1 GLN A 69 -27.509 18.057 -15.109 1.00 51.35 O ATOM 1088 NE2 GLN A 69 -29.450 19.079 -14.631 1.00 24.02 N ATOM 0 H GLN A 69 -24.377 17.578 -11.536 1.00 12.22 H new ATOM 0 HA GLN A 69 -26.053 19.764 -11.350 1.00 72.23 H new ATOM 0 HB2 GLN A 69 -25.992 18.355 -13.308 1.00 24.23 H new ATOM 0 HB3 GLN A 69 -26.480 16.944 -12.391 1.00 24.23 H new ATOM 0 HG2 GLN A 69 -28.694 17.513 -12.409 1.00 32.51 H new ATOM 0 HG3 GLN A 69 -28.373 19.231 -12.283 1.00 32.51 H new ATOM 0 HE21 GLN A 69 -30.095 19.409 -13.913 1.00 24.02 H new ATOM 0 HE22 GLN A 69 -29.673 19.214 -15.617 1.00 24.02 H new ATOM 1097 N THR A 70 -27.056 17.232 -9.490 1.00 73.04 N ATOM 1098 CA THR A 70 -27.950 16.859 -8.400 1.00 53.31 C ATOM 1099 C THR A 70 -27.218 16.035 -7.346 1.00 43.43 C ATOM 1100 O THR A 70 -27.737 15.033 -6.859 1.00 71.03 O ATOM 1101 CB THR A 70 -29.159 16.057 -8.915 1.00 72.12 C ATOM 1102 OG1 THR A 70 -29.433 16.403 -10.277 1.00 61.02 O ATOM 1103 CG2 THR A 70 -30.390 16.325 -8.061 1.00 14.40 C ATOM 0 H THR A 70 -26.400 16.501 -9.766 1.00 73.04 H new ATOM 0 HA THR A 70 -28.304 17.786 -7.950 1.00 53.31 H new ATOM 0 HB THR A 70 -28.916 14.996 -8.852 1.00 72.12 H new ATOM 0 HG1 THR A 70 -30.202 15.887 -10.597 1.00 61.02 H new ATOM 0 HG21 THR A 70 -31.231 15.748 -8.444 1.00 14.40 H new ATOM 0 HG22 THR A 70 -30.189 16.033 -7.030 1.00 14.40 H new ATOM 0 HG23 THR A 70 -30.633 17.387 -8.096 1.00 14.40 H new ATOM 1111 N GLY A 71 -26.009 16.466 -6.998 1.00 64.03 N ATOM 1112 CA GLY A 71 -25.227 15.756 -6.003 1.00 21.15 C ATOM 1113 C GLY A 71 -25.538 16.208 -4.590 1.00 41.11 C ATOM 1114 O GLY A 71 -25.711 17.400 -4.337 1.00 73.12 O ATOM 0 H GLY A 71 -25.558 17.294 -7.387 1.00 64.03 H new ATOM 0 HA2 GLY A 71 -25.419 14.687 -6.090 1.00 21.15 H new ATOM 0 HA3 GLY A 71 -24.166 15.906 -6.204 1.00 21.15 H new ATOM 1118 N SER A 72 -25.612 15.253 -3.668 1.00 14.41 N ATOM 1119 CA SER A 72 -25.910 15.559 -2.274 1.00 71.02 C ATOM 1120 C SER A 72 -24.656 16.027 -1.540 1.00 24.32 C ATOM 1121 O SER A 72 -23.605 16.220 -2.149 1.00 72.45 O ATOM 1122 CB SER A 72 -26.497 14.331 -1.575 1.00 54.24 C ATOM 1123 OG SER A 72 -25.474 13.530 -1.009 1.00 32.44 O ATOM 0 H SER A 72 -25.470 14.262 -3.861 1.00 14.41 H new ATOM 0 HA SER A 72 -26.643 16.365 -2.253 1.00 71.02 H new ATOM 0 HB2 SER A 72 -27.189 14.649 -0.795 1.00 54.24 H new ATOM 0 HB3 SER A 72 -27.072 13.742 -2.290 1.00 54.24 H new ATOM 0 HG SER A 72 -25.874 12.753 -0.567 1.00 32.44 H new ATOM 1129 N GLU A 73 -24.779 16.206 -0.229 1.00 61.32 N ATOM 1130 CA GLU A 73 -23.657 16.652 0.589 1.00 14.15 C ATOM 1131 C GLU A 73 -22.456 15.725 0.416 1.00 72.40 C ATOM 1132 O GLU A 73 -21.309 16.171 0.422 1.00 22.22 O ATOM 1133 CB GLU A 73 -24.062 16.710 2.063 1.00 50.54 C ATOM 1134 CG GLU A 73 -24.528 15.376 2.620 1.00 25.42 C ATOM 1135 CD GLU A 73 -25.634 15.526 3.646 1.00 62.21 C ATOM 1136 OE1 GLU A 73 -25.315 15.751 4.833 1.00 15.32 O ATOM 1137 OE2 GLU A 73 -26.817 15.419 3.264 1.00 64.53 O ATOM 0 H GLU A 73 -25.643 16.049 0.289 1.00 61.32 H new ATOM 0 HA GLU A 73 -23.374 17.651 0.258 1.00 14.15 H new ATOM 0 HB2 GLU A 73 -23.214 17.063 2.650 1.00 50.54 H new ATOM 0 HB3 GLU A 73 -24.860 17.443 2.183 1.00 50.54 H new ATOM 0 HG2 GLU A 73 -24.880 14.748 1.802 1.00 25.42 H new ATOM 0 HG3 GLU A 73 -23.682 14.862 3.076 1.00 25.42 H new ATOM 1144 N GLU A 74 -22.730 14.433 0.264 1.00 22.33 N ATOM 1145 CA GLU A 74 -21.673 13.443 0.092 1.00 4.35 C ATOM 1146 C GLU A 74 -20.815 13.771 -1.128 1.00 65.04 C ATOM 1147 O GLU A 74 -19.588 13.686 -1.078 1.00 2.42 O ATOM 1148 CB GLU A 74 -22.274 12.044 -0.054 1.00 54.13 C ATOM 1149 CG GLU A 74 -22.555 11.360 1.274 1.00 15.44 C ATOM 1150 CD GLU A 74 -23.644 10.311 1.171 1.00 40.22 C ATOM 1151 OE1 GLU A 74 -23.662 9.573 0.165 1.00 72.50 O ATOM 1152 OE2 GLU A 74 -24.478 10.229 2.097 1.00 3.12 O ATOM 0 H GLU A 74 -23.674 14.048 0.256 1.00 22.33 H new ATOM 0 HA GLU A 74 -21.039 13.467 0.978 1.00 4.35 H new ATOM 0 HB2 GLU A 74 -23.203 12.114 -0.621 1.00 54.13 H new ATOM 0 HB3 GLU A 74 -21.592 11.424 -0.635 1.00 54.13 H new ATOM 0 HG2 GLU A 74 -21.640 10.894 1.639 1.00 15.44 H new ATOM 0 HG3 GLU A 74 -22.846 12.109 2.010 1.00 15.44 H new ATOM 1159 N LEU A 75 -21.471 14.143 -2.221 1.00 41.50 N ATOM 1160 CA LEU A 75 -20.770 14.483 -3.455 1.00 53.13 C ATOM 1161 C LEU A 75 -20.209 15.901 -3.390 1.00 45.24 C ATOM 1162 O LEU A 75 -19.105 16.164 -3.865 1.00 52.42 O ATOM 1163 CB LEU A 75 -21.711 14.349 -4.653 1.00 20.24 C ATOM 1164 CG LEU A 75 -21.080 13.828 -5.945 1.00 5.44 C ATOM 1165 CD1 LEU A 75 -21.748 12.532 -6.379 1.00 32.35 C ATOM 1166 CD2 LEU A 75 -21.179 14.875 -7.046 1.00 73.32 C ATOM 0 H LEU A 75 -22.487 14.217 -2.279 1.00 41.50 H new ATOM 0 HA LEU A 75 -19.939 13.788 -3.575 1.00 53.13 H new ATOM 0 HB2 LEU A 75 -22.527 13.682 -4.376 1.00 20.24 H new ATOM 0 HB3 LEU A 75 -22.152 15.325 -4.855 1.00 20.24 H new ATOM 0 HG LEU A 75 -20.026 13.625 -5.757 1.00 5.44 H new ATOM 0 HD11 LEU A 75 -21.287 12.175 -7.300 1.00 32.35 H new ATOM 0 HD12 LEU A 75 -21.627 11.781 -5.598 1.00 32.35 H new ATOM 0 HD13 LEU A 75 -22.810 12.710 -6.550 1.00 32.35 H new ATOM 0 HD21 LEU A 75 -20.725 14.488 -7.958 1.00 73.32 H new ATOM 0 HD22 LEU A 75 -22.227 15.108 -7.233 1.00 73.32 H new ATOM 0 HD23 LEU A 75 -20.656 15.779 -6.736 1.00 73.32 H new ATOM 1178 N ARG A 76 -20.978 16.809 -2.798 1.00 63.30 N ATOM 1179 CA ARG A 76 -20.559 18.199 -2.670 1.00 33.24 C ATOM 1180 C ARG A 76 -19.261 18.305 -1.875 1.00 34.31 C ATOM 1181 O ARG A 76 -18.287 18.901 -2.334 1.00 13.15 O ATOM 1182 CB ARG A 76 -21.653 19.025 -1.991 1.00 25.32 C ATOM 1183 CG ARG A 76 -22.042 20.274 -2.764 1.00 52.13 C ATOM 1184 CD ARG A 76 -21.432 21.523 -2.146 1.00 42.01 C ATOM 1185 NE ARG A 76 -22.136 21.933 -0.932 1.00 32.33 N ATOM 1186 CZ ARG A 76 -21.987 23.123 -0.364 1.00 2.10 C ATOM 1187 NH1 ARG A 76 -21.165 24.017 -0.895 1.00 51.35 N ATOM 1188 NH2 ARG A 76 -22.661 23.422 0.739 1.00 43.31 N ATOM 0 H ARG A 76 -21.895 16.607 -2.399 1.00 63.30 H new ATOM 0 HA ARG A 76 -20.385 18.592 -3.672 1.00 33.24 H new ATOM 0 HB2 ARG A 76 -22.537 18.401 -1.857 1.00 25.32 H new ATOM 0 HB3 ARG A 76 -21.313 19.315 -0.997 1.00 25.32 H new ATOM 0 HG2 ARG A 76 -21.713 20.180 -3.799 1.00 52.13 H new ATOM 0 HG3 ARG A 76 -23.128 20.369 -2.782 1.00 52.13 H new ATOM 0 HD2 ARG A 76 -20.384 21.337 -1.912 1.00 42.01 H new ATOM 0 HD3 ARG A 76 -21.457 22.336 -2.872 1.00 42.01 H new ATOM 0 HE ARG A 76 -22.776 21.268 -0.498 1.00 32.33 H new ATOM 0 HH11 ARG A 76 -20.645 23.791 -1.743 1.00 51.35 H new ATOM 0 HH12 ARG A 76 -21.053 24.931 -0.456 1.00 51.35 H new ATOM 0 HH21 ARG A 76 -23.294 22.737 1.151 1.00 43.31 H new ATOM 0 HH22 ARG A 76 -22.546 24.337 1.175 1.00 43.31 H new ATOM 1202 N SER A 77 -19.256 17.721 -0.681 1.00 74.12 N ATOM 1203 CA SER A 77 -18.078 17.752 0.179 1.00 45.43 C ATOM 1204 C SER A 77 -16.855 17.211 -0.553 1.00 62.24 C ATOM 1205 O SER A 77 -15.778 17.806 -0.511 1.00 55.21 O ATOM 1206 CB SER A 77 -18.328 16.939 1.451 1.00 21.24 C ATOM 1207 OG SER A 77 -18.976 17.722 2.439 1.00 71.41 O ATOM 0 H SER A 77 -20.053 17.221 -0.287 1.00 74.12 H new ATOM 0 HA SER A 77 -17.885 18.790 0.452 1.00 45.43 H new ATOM 0 HB2 SER A 77 -18.939 16.068 1.215 1.00 21.24 H new ATOM 0 HB3 SER A 77 -17.380 16.568 1.841 1.00 21.24 H new ATOM 0 HG SER A 77 -19.126 17.179 3.241 1.00 71.41 H new ATOM 1213 N LEU A 78 -17.029 16.076 -1.223 1.00 52.52 N ATOM 1214 CA LEU A 78 -15.940 15.452 -1.965 1.00 20.24 C ATOM 1215 C LEU A 78 -15.310 16.440 -2.942 1.00 33.13 C ATOM 1216 O LEU A 78 -14.109 16.707 -2.883 1.00 34.33 O ATOM 1217 CB LEU A 78 -16.450 14.224 -2.722 1.00 0.52 C ATOM 1218 CG LEU A 78 -16.135 12.869 -2.092 1.00 32.41 C ATOM 1219 CD1 LEU A 78 -14.632 12.682 -1.949 1.00 50.42 C ATOM 1220 CD2 LEU A 78 -16.822 12.735 -0.740 1.00 13.52 C ATOM 0 H LEU A 78 -17.914 15.570 -1.267 1.00 52.52 H new ATOM 0 HA LEU A 78 -15.178 15.140 -1.250 1.00 20.24 H new ATOM 0 HB2 LEU A 78 -17.531 14.310 -2.827 1.00 0.52 H new ATOM 0 HB3 LEU A 78 -16.029 14.241 -3.727 1.00 0.52 H new ATOM 0 HG LEU A 78 -16.517 12.088 -2.750 1.00 32.41 H new ATOM 0 HD11 LEU A 78 -14.427 11.711 -1.498 1.00 50.42 H new ATOM 0 HD12 LEU A 78 -14.164 12.732 -2.932 1.00 50.42 H new ATOM 0 HD13 LEU A 78 -14.226 13.469 -1.314 1.00 50.42 H new ATOM 0 HD21 LEU A 78 -16.586 11.763 -0.307 1.00 13.52 H new ATOM 0 HD22 LEU A 78 -16.472 13.524 -0.074 1.00 13.52 H new ATOM 0 HD23 LEU A 78 -17.901 12.822 -0.870 1.00 13.52 H new ATOM 1232 N TYR A 79 -16.128 16.982 -3.837 1.00 54.02 N ATOM 1233 CA TYR A 79 -15.650 17.941 -4.826 1.00 3.23 C ATOM 1234 C TYR A 79 -14.809 19.031 -4.168 1.00 25.40 C ATOM 1235 O TYR A 79 -13.733 19.378 -4.654 1.00 22.23 O ATOM 1236 CB TYR A 79 -16.831 18.570 -5.568 1.00 44.51 C ATOM 1237 CG TYR A 79 -16.510 18.967 -6.992 1.00 44.02 C ATOM 1238 CD1 TYR A 79 -15.983 18.045 -7.887 1.00 33.03 C ATOM 1239 CD2 TYR A 79 -16.735 20.262 -7.441 1.00 41.21 C ATOM 1240 CE1 TYR A 79 -15.687 18.402 -9.189 1.00 0.20 C ATOM 1241 CE2 TYR A 79 -16.445 20.628 -8.741 1.00 71.21 C ATOM 1242 CZ TYR A 79 -15.920 19.694 -9.611 1.00 3.41 C ATOM 1243 OH TYR A 79 -15.629 20.056 -10.907 1.00 75.14 O ATOM 0 H TYR A 79 -17.125 16.774 -3.898 1.00 54.02 H new ATOM 0 HA TYR A 79 -15.023 17.406 -5.540 1.00 3.23 H new ATOM 0 HB2 TYR A 79 -17.662 17.865 -5.575 1.00 44.51 H new ATOM 0 HB3 TYR A 79 -17.165 19.451 -5.021 1.00 44.51 H new ATOM 0 HD1 TYR A 79 -15.801 17.032 -7.560 1.00 33.03 H new ATOM 0 HD2 TYR A 79 -17.144 20.996 -6.762 1.00 41.21 H new ATOM 0 HE1 TYR A 79 -15.276 17.673 -9.872 1.00 0.20 H new ATOM 0 HE2 TYR A 79 -16.628 21.639 -9.075 1.00 71.21 H new ATOM 0 HH TYR A 79 -15.853 21.000 -11.041 1.00 75.14 H new ATOM 1253 N ASN A 80 -15.308 19.564 -3.058 1.00 1.44 N ATOM 1254 CA ASN A 80 -14.604 20.615 -2.332 1.00 63.51 C ATOM 1255 C ASN A 80 -13.235 20.129 -1.867 1.00 32.11 C ATOM 1256 O ASN A 80 -12.202 20.665 -2.271 1.00 2.51 O ATOM 1257 CB ASN A 80 -15.430 21.075 -1.130 1.00 64.52 C ATOM 1258 CG ASN A 80 -16.184 22.361 -1.404 1.00 71.31 C ATOM 1259 OD1 ASN A 80 -16.418 22.723 -2.557 1.00 73.22 O ATOM 1260 ND2 ASN A 80 -16.569 23.060 -0.341 1.00 21.30 N ATOM 0 H ASN A 80 -16.197 19.286 -2.642 1.00 1.44 H new ATOM 0 HA ASN A 80 -14.461 21.457 -3.009 1.00 63.51 H new ATOM 0 HB2 ASN A 80 -16.139 20.292 -0.859 1.00 64.52 H new ATOM 0 HB3 ASN A 80 -14.771 21.219 -0.274 1.00 64.52 H new ATOM 0 HD21 ASN A 80 -17.080 23.934 -0.463 1.00 21.30 H new ATOM 0 HD22 ASN A 80 -16.353 22.722 0.597 1.00 21.30 H new ATOM 1267 N THR A 81 -13.232 19.109 -1.014 1.00 24.11 N ATOM 1268 CA THR A 81 -11.992 18.551 -0.493 1.00 75.04 C ATOM 1269 C THR A 81 -11.038 18.179 -1.623 1.00 44.54 C ATOM 1270 O THR A 81 -9.913 18.677 -1.687 1.00 5.05 O ATOM 1271 CB THR A 81 -12.255 17.305 0.373 1.00 20.53 C ATOM 1272 OG1 THR A 81 -13.230 17.603 1.379 1.00 34.24 O ATOM 1273 CG2 THR A 81 -10.972 16.820 1.031 1.00 11.45 C ATOM 0 H THR A 81 -14.077 18.653 -0.669 1.00 24.11 H new ATOM 0 HA THR A 81 -11.535 19.323 0.125 1.00 75.04 H new ATOM 0 HB THR A 81 -12.633 16.514 -0.275 1.00 20.53 H new ATOM 0 HG1 THR A 81 -14.128 17.548 0.991 1.00 34.24 H new ATOM 0 HG21 THR A 81 -11.184 15.939 1.637 1.00 11.45 H new ATOM 0 HG22 THR A 81 -10.243 16.564 0.262 1.00 11.45 H new ATOM 0 HG23 THR A 81 -10.568 17.609 1.666 1.00 11.45 H new ATOM 1281 N ILE A 82 -11.495 17.303 -2.511 1.00 54.12 N ATOM 1282 CA ILE A 82 -10.683 16.867 -3.640 1.00 20.12 C ATOM 1283 C ILE A 82 -10.104 18.058 -4.395 1.00 45.41 C ATOM 1284 O ILE A 82 -8.928 18.066 -4.756 1.00 43.31 O ATOM 1285 CB ILE A 82 -11.497 16.000 -4.618 1.00 23.10 C ATOM 1286 CG1 ILE A 82 -12.068 14.777 -3.897 1.00 10.40 C ATOM 1287 CG2 ILE A 82 -10.632 15.573 -5.794 1.00 41.41 C ATOM 1288 CD1 ILE A 82 -13.240 14.145 -4.614 1.00 24.35 C ATOM 0 H ILE A 82 -12.423 16.881 -2.471 1.00 54.12 H new ATOM 0 HA ILE A 82 -9.869 16.270 -3.230 1.00 20.12 H new ATOM 0 HB ILE A 82 -12.328 16.593 -5.000 1.00 23.10 H new ATOM 0 HG12 ILE A 82 -11.280 14.033 -3.781 1.00 10.40 H new ATOM 0 HG13 ILE A 82 -12.381 15.070 -2.895 1.00 10.40 H new ATOM 0 HG21 ILE A 82 -11.222 14.961 -6.476 1.00 41.41 H new ATOM 0 HG22 ILE A 82 -10.271 16.457 -6.320 1.00 41.41 H new ATOM 0 HG23 ILE A 82 -9.783 14.995 -5.430 1.00 41.41 H new ATOM 0 HD11 ILE A 82 -13.593 13.284 -4.046 1.00 24.35 H new ATOM 0 HD12 ILE A 82 -14.045 14.873 -4.707 1.00 24.35 H new ATOM 0 HD13 ILE A 82 -12.927 13.821 -5.607 1.00 24.35 H new ATOM 1300 N ALA A 83 -10.940 19.066 -4.628 1.00 73.24 N ATOM 1301 CA ALA A 83 -10.510 20.265 -5.336 1.00 0.32 C ATOM 1302 C ALA A 83 -9.267 20.869 -4.692 1.00 73.20 C ATOM 1303 O ALA A 83 -8.276 21.145 -5.368 1.00 24.11 O ATOM 1304 CB ALA A 83 -11.636 21.288 -5.372 1.00 45.11 C ATOM 0 H ALA A 83 -11.918 19.075 -4.337 1.00 73.24 H new ATOM 0 HA ALA A 83 -10.256 19.981 -6.357 1.00 0.32 H new ATOM 0 HB1 ALA A 83 -11.301 22.179 -5.904 1.00 45.11 H new ATOM 0 HB2 ALA A 83 -12.498 20.862 -5.885 1.00 45.11 H new ATOM 0 HB3 ALA A 83 -11.916 21.557 -4.353 1.00 45.11 H new ATOM 1310 N VAL A 84 -9.324 21.070 -3.378 1.00 1.35 N ATOM 1311 CA VAL A 84 -8.202 21.640 -2.643 1.00 55.15 C ATOM 1312 C VAL A 84 -6.986 20.722 -2.697 1.00 30.35 C ATOM 1313 O VAL A 84 -5.866 21.171 -2.944 1.00 0.42 O ATOM 1314 CB VAL A 84 -8.570 21.898 -1.170 1.00 11.32 C ATOM 1315 CG1 VAL A 84 -7.423 22.587 -0.446 1.00 73.35 C ATOM 1316 CG2 VAL A 84 -9.843 22.726 -1.076 1.00 2.22 C ATOM 0 H VAL A 84 -10.135 20.846 -2.802 1.00 1.35 H new ATOM 0 HA VAL A 84 -7.959 22.589 -3.122 1.00 55.15 H new ATOM 0 HB VAL A 84 -8.751 20.938 -0.686 1.00 11.32 H new ATOM 0 HG11 VAL A 84 -7.701 22.761 0.593 1.00 73.35 H new ATOM 0 HG12 VAL A 84 -6.537 21.954 -0.483 1.00 73.35 H new ATOM 0 HG13 VAL A 84 -7.208 23.540 -0.929 1.00 73.35 H new ATOM 0 HG21 VAL A 84 -10.088 22.899 -0.028 1.00 2.22 H new ATOM 0 HG22 VAL A 84 -9.692 23.683 -1.576 1.00 2.22 H new ATOM 0 HG23 VAL A 84 -10.662 22.190 -1.557 1.00 2.22 H new ATOM 1326 N LEU A 85 -7.213 19.434 -2.467 1.00 23.04 N ATOM 1327 CA LEU A 85 -6.136 18.450 -2.491 1.00 41.22 C ATOM 1328 C LEU A 85 -5.434 18.443 -3.845 1.00 43.42 C ATOM 1329 O LEU A 85 -4.229 18.682 -3.933 1.00 64.23 O ATOM 1330 CB LEU A 85 -6.685 17.056 -2.181 1.00 14.41 C ATOM 1331 CG LEU A 85 -5.690 16.061 -1.582 1.00 55.53 C ATOM 1332 CD1 LEU A 85 -6.161 15.594 -0.213 1.00 32.21 C ATOM 1333 CD2 LEU A 85 -5.494 14.875 -2.514 1.00 31.15 C ATOM 0 H LEU A 85 -8.134 19.046 -2.262 1.00 23.04 H new ATOM 0 HA LEU A 85 -5.409 18.726 -1.727 1.00 41.22 H new ATOM 0 HB2 LEU A 85 -7.522 17.162 -1.491 1.00 14.41 H new ATOM 0 HB3 LEU A 85 -7.083 16.631 -3.102 1.00 14.41 H new ATOM 0 HG LEU A 85 -4.731 16.564 -1.461 1.00 55.53 H new ATOM 0 HD11 LEU A 85 -5.441 14.887 0.198 1.00 32.21 H new ATOM 0 HD12 LEU A 85 -6.248 16.452 0.454 1.00 32.21 H new ATOM 0 HD13 LEU A 85 -7.132 15.109 -0.308 1.00 32.21 H new ATOM 0 HD21 LEU A 85 -4.783 14.178 -2.071 1.00 31.15 H new ATOM 0 HD22 LEU A 85 -6.448 14.371 -2.667 1.00 31.15 H new ATOM 0 HD23 LEU A 85 -5.110 15.225 -3.472 1.00 31.15 H new ATOM 1345 N TYR A 86 -6.196 18.171 -4.898 1.00 1.44 N ATOM 1346 CA TYR A 86 -5.647 18.133 -6.249 1.00 4.31 C ATOM 1347 C TYR A 86 -4.755 19.344 -6.508 1.00 62.31 C ATOM 1348 O TYR A 86 -3.649 19.211 -7.033 1.00 34.14 O ATOM 1349 CB TYR A 86 -6.778 18.089 -7.280 1.00 73.13 C ATOM 1350 CG TYR A 86 -6.301 18.244 -8.706 1.00 23.33 C ATOM 1351 CD1 TYR A 86 -6.177 19.501 -9.285 1.00 30.31 C ATOM 1352 CD2 TYR A 86 -5.978 17.133 -9.476 1.00 51.12 C ATOM 1353 CE1 TYR A 86 -5.743 19.647 -10.588 1.00 13.44 C ATOM 1354 CE2 TYR A 86 -5.541 17.270 -10.779 1.00 4.45 C ATOM 1355 CZ TYR A 86 -5.426 18.529 -11.331 1.00 2.32 C ATOM 1356 OH TYR A 86 -4.994 18.670 -12.630 1.00 41.01 O ATOM 0 H TYR A 86 -7.195 17.974 -4.843 1.00 1.44 H new ATOM 0 HA TYR A 86 -5.042 17.231 -6.344 1.00 4.31 H new ATOM 0 HB2 TYR A 86 -7.310 17.142 -7.184 1.00 73.13 H new ATOM 0 HB3 TYR A 86 -7.493 18.880 -7.057 1.00 73.13 H new ATOM 0 HD1 TYR A 86 -6.424 20.379 -8.706 1.00 30.31 H new ATOM 0 HD2 TYR A 86 -6.070 16.146 -9.048 1.00 51.12 H new ATOM 0 HE1 TYR A 86 -5.652 20.631 -11.023 1.00 13.44 H new ATOM 0 HE2 TYR A 86 -5.291 16.396 -11.362 1.00 4.45 H new ATOM 0 HH TYR A 86 -4.812 17.786 -13.012 1.00 41.01 H new ATOM 1366 N CYS A 87 -5.244 20.521 -6.136 1.00 34.43 N ATOM 1367 CA CYS A 87 -4.491 21.756 -6.328 1.00 62.05 C ATOM 1368 C CYS A 87 -3.143 21.687 -5.618 1.00 52.40 C ATOM 1369 O CYS A 87 -2.103 21.981 -6.208 1.00 62.10 O ATOM 1370 CB CYS A 87 -5.294 22.951 -5.811 1.00 15.11 C ATOM 1371 SG CYS A 87 -6.281 23.781 -7.078 1.00 72.32 S ATOM 0 H CYS A 87 -6.158 20.647 -5.700 1.00 34.43 H new ATOM 0 HA CYS A 87 -4.312 21.882 -7.396 1.00 62.05 H new ATOM 0 HB2 CYS A 87 -5.956 22.613 -5.014 1.00 15.11 H new ATOM 0 HB3 CYS A 87 -4.607 23.673 -5.370 1.00 15.11 H new ATOM 0 HG CYS A 87 -6.925 24.776 -6.544 1.00 72.32 H new ATOM 1377 N VAL A 88 -3.168 21.299 -4.347 1.00 50.10 N ATOM 1378 CA VAL A 88 -1.948 21.192 -3.556 1.00 1.10 C ATOM 1379 C VAL A 88 -0.917 20.312 -4.253 1.00 74.52 C ATOM 1380 O VAL A 88 0.268 20.644 -4.302 1.00 45.11 O ATOM 1381 CB VAL A 88 -2.236 20.617 -2.157 1.00 61.34 C ATOM 1382 CG1 VAL A 88 -0.948 20.485 -1.358 1.00 31.14 C ATOM 1383 CG2 VAL A 88 -3.242 21.488 -1.419 1.00 13.22 C ATOM 0 H VAL A 88 -4.020 21.053 -3.843 1.00 50.10 H new ATOM 0 HA VAL A 88 -1.549 22.201 -3.451 1.00 1.10 H new ATOM 0 HB VAL A 88 -2.667 19.623 -2.275 1.00 61.34 H new ATOM 0 HG11 VAL A 88 -1.172 20.077 -0.372 1.00 31.14 H new ATOM 0 HG12 VAL A 88 -0.263 19.817 -1.880 1.00 31.14 H new ATOM 0 HG13 VAL A 88 -0.486 21.466 -1.248 1.00 31.14 H new ATOM 0 HG21 VAL A 88 -3.433 21.066 -0.432 1.00 13.22 H new ATOM 0 HG22 VAL A 88 -2.841 22.496 -1.311 1.00 13.22 H new ATOM 0 HG23 VAL A 88 -4.173 21.527 -1.984 1.00 13.22 H new ATOM 1393 N HIS A 89 -1.375 19.187 -4.792 1.00 21.44 N ATOM 1394 CA HIS A 89 -0.492 18.256 -5.488 1.00 2.51 C ATOM 1395 C HIS A 89 0.174 18.933 -6.683 1.00 74.13 C ATOM 1396 O HIS A 89 1.330 18.604 -6.946 1.00 15.31 O ATOM 1397 CB HIS A 89 -1.275 17.029 -5.955 1.00 33.42 C ATOM 1398 CG HIS A 89 -1.475 16.002 -4.881 1.00 15.04 C ATOM 1399 ND1 HIS A 89 -0.485 15.644 -3.990 1.00 41.45 N ATOM 1400 CD2 HIS A 89 -2.557 15.257 -4.559 1.00 53.53 C ATOM 1401 CE1 HIS A 89 -0.952 14.723 -3.166 1.00 62.35 C ATOM 1402 NE2 HIS A 89 -2.208 14.471 -3.490 1.00 54.42 N ATOM 0 H HIS A 89 -2.352 18.897 -4.761 1.00 21.44 H new ATOM 0 HA HIS A 89 0.284 17.939 -4.791 1.00 2.51 H new ATOM 0 HB2 HIS A 89 -2.249 17.349 -6.326 1.00 33.42 H new ATOM 0 HB3 HIS A 89 -0.750 16.570 -6.792 1.00 33.42 H new ATOM 0 HD1 HIS A 89 0.459 16.030 -3.970 1.00 41.45 H new ATOM 0 HD2 HIS A 89 -3.518 15.277 -5.052 1.00 53.53 H new ATOM 0 HE1 HIS A 89 -0.401 14.255 -2.364 1.00 62.35 H new ATOM 1411 N GLN A 90 -0.500 19.837 -7.388 1.00 71.33 N ATOM 1412 CA GLN A 90 0.095 20.507 -8.537 1.00 53.44 C ATOM 1413 C GLN A 90 0.795 21.795 -8.113 1.00 44.11 C ATOM 1414 O GLN A 90 0.925 22.731 -8.903 1.00 22.01 O ATOM 1415 CB GLN A 90 -0.975 20.816 -9.585 1.00 64.00 C ATOM 1416 CG GLN A 90 -0.676 20.223 -10.953 1.00 15.02 C ATOM 1417 CD GLN A 90 -0.122 21.247 -11.924 1.00 54.01 C ATOM 1418 OE1 GLN A 90 -0.460 22.430 -11.857 1.00 62.54 O ATOM 1419 NE2 GLN A 90 0.735 20.799 -12.833 1.00 21.24 N ATOM 0 H GLN A 90 -1.458 20.121 -7.183 1.00 71.33 H new ATOM 0 HA GLN A 90 0.837 19.837 -8.972 1.00 53.44 H new ATOM 0 HB2 GLN A 90 -1.935 20.436 -9.235 1.00 64.00 H new ATOM 0 HB3 GLN A 90 -1.076 21.897 -9.681 1.00 64.00 H new ATOM 0 HG2 GLN A 90 0.039 19.408 -10.843 1.00 15.02 H new ATOM 0 HG3 GLN A 90 -1.589 19.793 -11.366 1.00 15.02 H new ATOM 0 HE21 GLN A 90 0.987 19.811 -12.853 1.00 21.24 H new ATOM 0 HE22 GLN A 90 1.141 21.443 -13.512 1.00 21.24 H new ATOM 1428 N ARG A 91 1.242 21.837 -6.862 1.00 31.44 N ATOM 1429 CA ARG A 91 1.926 23.010 -6.334 1.00 43.32 C ATOM 1430 C ARG A 91 1.059 24.256 -6.480 1.00 43.53 C ATOM 1431 O ARG A 91 1.561 25.345 -6.761 1.00 63.04 O ATOM 1432 CB ARG A 91 3.260 23.217 -7.054 1.00 71.00 C ATOM 1433 CG ARG A 91 4.375 23.703 -6.142 1.00 10.55 C ATOM 1434 CD ARG A 91 4.864 22.597 -5.222 1.00 54.21 C ATOM 1435 NE ARG A 91 6.253 22.795 -4.817 1.00 12.03 N ATOM 1436 CZ ARG A 91 6.944 21.913 -4.103 1.00 15.43 C ATOM 1437 NH1 ARG A 91 6.378 20.778 -3.718 1.00 44.24 N ATOM 1438 NH2 ARG A 91 8.205 22.165 -3.775 1.00 2.43 N ATOM 0 H ARG A 91 1.142 21.071 -6.195 1.00 31.44 H new ATOM 0 HA ARG A 91 2.116 22.842 -5.274 1.00 43.32 H new ATOM 0 HB2 ARG A 91 3.563 22.278 -7.516 1.00 71.00 H new ATOM 0 HB3 ARG A 91 3.121 23.938 -7.859 1.00 71.00 H new ATOM 0 HG2 ARG A 91 5.206 24.070 -6.745 1.00 10.55 H new ATOM 0 HG3 ARG A 91 4.019 24.543 -5.546 1.00 10.55 H new ATOM 0 HD2 ARG A 91 4.231 22.556 -4.336 1.00 54.21 H new ATOM 0 HD3 ARG A 91 4.767 21.636 -5.727 1.00 54.21 H new ATOM 0 HE ARG A 91 6.718 23.658 -5.098 1.00 12.03 H new ATOM 0 HH11 ARG A 91 5.410 20.580 -3.970 1.00 44.24 H new ATOM 0 HH12 ARG A 91 6.911 20.103 -3.170 1.00 44.24 H new ATOM 0 HH21 ARG A 91 8.645 23.037 -4.071 1.00 2.43 H new ATOM 0 HH22 ARG A 91 8.735 21.487 -3.227 1.00 2.43 H new ATOM 1452 N ILE A 92 -0.246 24.089 -6.287 1.00 54.11 N ATOM 1453 CA ILE A 92 -1.182 25.201 -6.397 1.00 22.00 C ATOM 1454 C ILE A 92 -1.684 25.635 -5.023 1.00 21.12 C ATOM 1455 O ILE A 92 -2.216 24.826 -4.262 1.00 43.23 O ATOM 1456 CB ILE A 92 -2.389 24.835 -7.280 1.00 22.03 C ATOM 1457 CG1 ILE A 92 -1.917 24.367 -8.658 1.00 62.41 C ATOM 1458 CG2 ILE A 92 -3.329 26.024 -7.411 1.00 44.00 C ATOM 1459 CD1 ILE A 92 -3.049 23.966 -9.580 1.00 35.23 C ATOM 0 H ILE A 92 -0.678 23.195 -6.054 1.00 54.11 H new ATOM 0 HA ILE A 92 -0.640 26.025 -6.860 1.00 22.00 H new ATOM 0 HB ILE A 92 -2.933 24.018 -6.806 1.00 22.03 H new ATOM 0 HG12 ILE A 92 -1.342 25.166 -9.127 1.00 62.41 H new ATOM 0 HG13 ILE A 92 -1.243 23.520 -8.534 1.00 62.41 H new ATOM 0 HG21 ILE A 92 -4.177 25.750 -8.038 1.00 44.00 H new ATOM 0 HG22 ILE A 92 -3.687 26.315 -6.424 1.00 44.00 H new ATOM 0 HG23 ILE A 92 -2.797 26.860 -7.865 1.00 44.00 H new ATOM 0 HD11 ILE A 92 -2.641 23.645 -10.539 1.00 35.23 H new ATOM 0 HD12 ILE A 92 -3.610 23.146 -9.132 1.00 35.23 H new ATOM 0 HD13 ILE A 92 -3.712 24.818 -9.734 1.00 35.23 H new ATOM 1471 N ASP A 93 -1.512 26.915 -4.714 1.00 21.33 N ATOM 1472 CA ASP A 93 -1.950 27.458 -3.433 1.00 22.42 C ATOM 1473 C ASP A 93 -3.190 28.330 -3.608 1.00 51.30 C ATOM 1474 O ASP A 93 -3.172 29.310 -4.353 1.00 13.31 O ATOM 1475 CB ASP A 93 -0.827 28.270 -2.789 1.00 72.43 C ATOM 1476 CG ASP A 93 -0.047 29.086 -3.801 1.00 24.10 C ATOM 1477 OD1 ASP A 93 -0.444 30.240 -4.064 1.00 10.13 O ATOM 1478 OD2 ASP A 93 0.960 28.571 -4.331 1.00 62.43 O ATOM 0 H ASP A 93 -1.072 27.596 -5.333 1.00 21.33 H new ATOM 0 HA ASP A 93 -2.204 26.623 -2.780 1.00 22.42 H new ATOM 0 HB2 ASP A 93 -1.250 28.937 -2.038 1.00 72.43 H new ATOM 0 HB3 ASP A 93 -0.147 27.595 -2.269 1.00 72.43 H new ATOM 1483 N VAL A 94 -4.266 27.967 -2.918 1.00 32.41 N ATOM 1484 CA VAL A 94 -5.514 28.715 -2.996 1.00 12.24 C ATOM 1485 C VAL A 94 -5.807 29.435 -1.684 1.00 1.32 C ATOM 1486 O VAL A 94 -5.424 28.972 -0.610 1.00 21.25 O ATOM 1487 CB VAL A 94 -6.700 27.795 -3.340 1.00 51.00 C ATOM 1488 CG1 VAL A 94 -6.552 27.235 -4.746 1.00 75.14 C ATOM 1489 CG2 VAL A 94 -6.816 26.673 -2.319 1.00 31.25 C ATOM 0 H VAL A 94 -4.298 27.158 -2.298 1.00 32.41 H new ATOM 0 HA VAL A 94 -5.392 29.450 -3.791 1.00 12.24 H new ATOM 0 HB VAL A 94 -7.617 28.384 -3.305 1.00 51.00 H new ATOM 0 HG11 VAL A 94 -7.399 26.587 -4.971 1.00 75.14 H new ATOM 0 HG12 VAL A 94 -6.522 28.055 -5.463 1.00 75.14 H new ATOM 0 HG13 VAL A 94 -5.628 26.660 -4.813 1.00 75.14 H new ATOM 0 HG21 VAL A 94 -7.659 26.032 -2.577 1.00 31.25 H new ATOM 0 HG22 VAL A 94 -5.899 26.084 -2.320 1.00 31.25 H new ATOM 0 HG23 VAL A 94 -6.973 27.098 -1.328 1.00 31.25 H new ATOM 1499 N LYS A 95 -6.489 30.572 -1.779 1.00 74.13 N ATOM 1500 CA LYS A 95 -6.835 31.357 -0.600 1.00 3.20 C ATOM 1501 C LYS A 95 -7.875 30.633 0.249 1.00 30.11 C ATOM 1502 O LYS A 95 -7.964 30.850 1.457 1.00 63.21 O ATOM 1503 CB LYS A 95 -7.366 32.731 -1.015 1.00 23.41 C ATOM 1504 CG LYS A 95 -7.745 33.617 0.159 1.00 74.14 C ATOM 1505 CD LYS A 95 -8.199 34.991 -0.303 1.00 14.53 C ATOM 1506 CE LYS A 95 -7.254 36.081 0.180 1.00 1.14 C ATOM 1507 NZ LYS A 95 -7.906 37.420 0.180 1.00 25.03 N ATOM 0 H LYS A 95 -6.813 30.970 -2.660 1.00 74.13 H new ATOM 0 HA LYS A 95 -5.932 31.488 -0.003 1.00 3.20 H new ATOM 0 HB2 LYS A 95 -6.609 33.238 -1.613 1.00 23.41 H new ATOM 0 HB3 LYS A 95 -8.239 32.596 -1.654 1.00 23.41 H new ATOM 0 HG2 LYS A 95 -8.542 33.143 0.731 1.00 74.14 H new ATOM 0 HG3 LYS A 95 -6.891 33.721 0.828 1.00 74.14 H new ATOM 0 HD2 LYS A 95 -8.253 35.011 -1.391 1.00 14.53 H new ATOM 0 HD3 LYS A 95 -9.204 35.188 0.070 1.00 14.53 H new ATOM 0 HE2 LYS A 95 -6.911 35.844 1.187 1.00 1.14 H new ATOM 0 HE3 LYS A 95 -6.372 36.107 -0.460 1.00 1.14 H new ATOM 0 HZ1 LYS A 95 -7.230 38.135 0.515 1.00 25.03 H new ATOM 0 HZ2 LYS A 95 -8.211 37.658 -0.785 1.00 25.03 H new ATOM 0 HZ3 LYS A 95 -8.733 37.403 0.810 1.00 25.03 H new ATOM 1521 N ASP A 96 -8.659 29.772 -0.391 1.00 31.04 N ATOM 1522 CA ASP A 96 -9.691 29.014 0.306 1.00 2.12 C ATOM 1523 C ASP A 96 -10.292 27.948 -0.605 1.00 51.10 C ATOM 1524 O ASP A 96 -9.993 27.896 -1.799 1.00 31.00 O ATOM 1525 CB ASP A 96 -10.790 29.952 0.809 1.00 31.31 C ATOM 1526 CG ASP A 96 -11.091 31.069 -0.170 1.00 61.11 C ATOM 1527 OD1 ASP A 96 -11.763 30.802 -1.189 1.00 64.35 O ATOM 1528 OD2 ASP A 96 -10.655 32.211 0.081 1.00 55.43 O ATOM 0 H ASP A 96 -8.599 29.582 -1.391 1.00 31.04 H new ATOM 0 HA ASP A 96 -9.229 28.518 1.159 1.00 2.12 H new ATOM 0 HB2 ASP A 96 -11.698 29.378 0.991 1.00 31.31 H new ATOM 0 HB3 ASP A 96 -10.488 30.382 1.764 1.00 31.31 H new ATOM 1533 N THR A 97 -11.141 27.099 -0.035 1.00 70.10 N ATOM 1534 CA THR A 97 -11.783 26.033 -0.795 1.00 54.23 C ATOM 1535 C THR A 97 -12.665 26.601 -1.900 1.00 44.22 C ATOM 1536 O THR A 97 -13.078 25.883 -2.811 1.00 21.11 O ATOM 1537 CB THR A 97 -12.636 25.130 0.115 1.00 53.32 C ATOM 1538 OG1 THR A 97 -11.848 24.656 1.213 1.00 50.34 O ATOM 1539 CG2 THR A 97 -13.192 23.948 -0.664 1.00 31.53 C ATOM 0 H THR A 97 -11.400 27.129 0.951 1.00 70.10 H new ATOM 0 HA THR A 97 -10.986 25.438 -1.240 1.00 54.23 H new ATOM 0 HB THR A 97 -13.470 25.719 0.495 1.00 53.32 H new ATOM 0 HG1 THR A 97 -11.722 23.688 1.131 1.00 50.34 H new ATOM 0 HG21 THR A 97 -13.791 23.324 -0.000 1.00 31.53 H new ATOM 0 HG22 THR A 97 -13.815 24.311 -1.481 1.00 31.53 H new ATOM 0 HG23 THR A 97 -12.369 23.360 -1.070 1.00 31.53 H new ATOM 1547 N LYS A 98 -12.953 27.895 -1.815 1.00 45.43 N ATOM 1548 CA LYS A 98 -13.786 28.562 -2.809 1.00 23.52 C ATOM 1549 C LYS A 98 -12.989 28.860 -4.076 1.00 65.24 C ATOM 1550 O LYS A 98 -13.318 28.370 -5.155 1.00 41.41 O ATOM 1551 CB LYS A 98 -14.360 29.860 -2.237 1.00 13.05 C ATOM 1552 CG LYS A 98 -15.870 29.842 -2.083 1.00 63.43 C ATOM 1553 CD LYS A 98 -16.565 30.357 -3.332 1.00 35.52 C ATOM 1554 CE LYS A 98 -16.384 31.859 -3.492 1.00 64.51 C ATOM 1555 NZ LYS A 98 -16.056 32.232 -4.896 1.00 72.15 N ATOM 0 H LYS A 98 -12.621 28.504 -1.067 1.00 45.43 H new ATOM 0 HA LYS A 98 -14.607 27.892 -3.066 1.00 23.52 H new ATOM 0 HB2 LYS A 98 -13.906 30.050 -1.264 1.00 13.05 H new ATOM 0 HB3 LYS A 98 -14.079 30.689 -2.887 1.00 13.05 H new ATOM 0 HG2 LYS A 98 -16.203 28.825 -1.873 1.00 63.43 H new ATOM 0 HG3 LYS A 98 -16.157 30.454 -1.228 1.00 63.43 H new ATOM 0 HD2 LYS A 98 -16.166 29.846 -4.208 1.00 35.52 H new ATOM 0 HD3 LYS A 98 -17.628 30.121 -3.282 1.00 35.52 H new ATOM 0 HE2 LYS A 98 -17.297 32.370 -3.184 1.00 64.51 H new ATOM 0 HE3 LYS A 98 -15.589 32.201 -2.830 1.00 64.51 H new ATOM 0 HZ1 LYS A 98 -15.941 33.263 -4.963 1.00 72.15 H new ATOM 0 HZ2 LYS A 98 -15.172 31.765 -5.182 1.00 72.15 H new ATOM 0 HZ3 LYS A 98 -16.827 31.928 -5.525 1.00 72.15 H new ATOM 1569 N GLU A 99 -11.941 29.664 -3.934 1.00 52.32 N ATOM 1570 CA GLU A 99 -11.098 30.026 -5.067 1.00 15.21 C ATOM 1571 C GLU A 99 -10.440 28.789 -5.672 1.00 0.40 C ATOM 1572 O GLU A 99 -9.974 28.816 -6.811 1.00 15.22 O ATOM 1573 CB GLU A 99 -10.025 31.027 -4.633 1.00 10.44 C ATOM 1574 CG GLU A 99 -9.854 32.191 -5.596 1.00 55.11 C ATOM 1575 CD GLU A 99 -9.724 31.741 -7.038 1.00 63.50 C ATOM 1576 OE1 GLU A 99 -8.626 31.285 -7.422 1.00 62.15 O ATOM 1577 OE2 GLU A 99 -10.721 31.844 -7.783 1.00 72.01 O ATOM 0 H GLU A 99 -11.655 30.077 -3.046 1.00 52.32 H new ATOM 0 HA GLU A 99 -11.730 30.488 -5.825 1.00 15.21 H new ATOM 0 HB2 GLU A 99 -10.280 31.416 -3.647 1.00 10.44 H new ATOM 0 HB3 GLU A 99 -9.073 30.506 -4.533 1.00 10.44 H new ATOM 0 HG2 GLU A 99 -10.708 32.862 -5.504 1.00 55.11 H new ATOM 0 HG3 GLU A 99 -8.969 32.762 -5.316 1.00 55.11 H new ATOM 1584 N ALA A 100 -10.407 27.708 -4.902 1.00 73.55 N ATOM 1585 CA ALA A 100 -9.808 26.460 -5.362 1.00 51.23 C ATOM 1586 C ALA A 100 -10.695 25.774 -6.395 1.00 33.42 C ATOM 1587 O ALA A 100 -10.206 25.065 -7.276 1.00 11.11 O ATOM 1588 CB ALA A 100 -9.552 25.532 -4.183 1.00 12.33 C ATOM 0 H ALA A 100 -10.788 27.670 -3.956 1.00 73.55 H new ATOM 0 HA ALA A 100 -8.856 26.696 -5.838 1.00 51.23 H new ATOM 0 HB1 ALA A 100 -9.105 24.604 -4.540 1.00 12.33 H new ATOM 0 HB2 ALA A 100 -8.873 26.015 -3.481 1.00 12.33 H new ATOM 0 HB3 ALA A 100 -10.495 25.311 -3.683 1.00 12.33 H new ATOM 1594 N LEU A 101 -12.001 25.987 -6.281 1.00 30.20 N ATOM 1595 CA LEU A 101 -12.957 25.388 -7.206 1.00 41.22 C ATOM 1596 C LEU A 101 -13.008 26.166 -8.517 1.00 72.24 C ATOM 1597 O LEU A 101 -13.170 25.584 -9.590 1.00 40.02 O ATOM 1598 CB LEU A 101 -14.349 25.343 -6.573 1.00 23.43 C ATOM 1599 CG LEU A 101 -15.119 24.032 -6.737 1.00 64.21 C ATOM 1600 CD1 LEU A 101 -15.369 23.740 -8.208 1.00 34.02 C ATOM 1601 CD2 LEU A 101 -14.363 22.884 -6.085 1.00 42.25 C ATOM 0 H LEU A 101 -12.422 26.570 -5.558 1.00 30.20 H new ATOM 0 HA LEU A 101 -12.628 24.371 -7.421 1.00 41.22 H new ATOM 0 HB2 LEU A 101 -14.249 25.551 -5.508 1.00 23.43 H new ATOM 0 HB3 LEU A 101 -14.947 26.148 -7.000 1.00 23.43 H new ATOM 0 HG LEU A 101 -16.083 24.135 -6.239 1.00 64.21 H new ATOM 0 HD11 LEU A 101 -15.918 22.803 -8.305 1.00 34.02 H new ATOM 0 HD12 LEU A 101 -15.953 24.550 -8.646 1.00 34.02 H new ATOM 0 HD13 LEU A 101 -14.416 23.657 -8.730 1.00 34.02 H new ATOM 0 HD21 LEU A 101 -14.926 21.959 -6.212 1.00 42.25 H new ATOM 0 HD22 LEU A 101 -13.384 22.780 -6.554 1.00 42.25 H new ATOM 0 HD23 LEU A 101 -14.236 23.089 -5.022 1.00 42.25 H new ATOM 1613 N ASP A 102 -12.865 27.483 -8.424 1.00 63.15 N ATOM 1614 CA ASP A 102 -12.891 28.341 -9.602 1.00 24.41 C ATOM 1615 C ASP A 102 -11.575 28.251 -10.368 1.00 1.31 C ATOM 1616 O ASP A 102 -11.546 28.389 -11.592 1.00 70.23 O ATOM 1617 CB ASP A 102 -13.163 29.791 -9.199 1.00 73.32 C ATOM 1618 CG ASP A 102 -13.667 30.629 -10.357 1.00 41.53 C ATOM 1619 OD1 ASP A 102 -12.901 30.830 -11.321 1.00 2.54 O ATOM 1620 OD2 ASP A 102 -14.829 31.085 -10.297 1.00 30.21 O ATOM 0 H ASP A 102 -12.730 27.980 -7.544 1.00 63.15 H new ATOM 0 HA ASP A 102 -13.695 27.997 -10.253 1.00 24.41 H new ATOM 0 HB2 ASP A 102 -13.898 29.810 -8.394 1.00 73.32 H new ATOM 0 HB3 ASP A 102 -12.248 30.233 -8.805 1.00 73.32 H new ATOM 1625 N LYS A 103 -10.488 28.020 -9.641 1.00 1.13 N ATOM 1626 CA LYS A 103 -9.167 27.911 -10.250 1.00 4.54 C ATOM 1627 C LYS A 103 -9.022 26.592 -11.002 1.00 4.34 C ATOM 1628 O LYS A 103 -8.436 26.545 -12.084 1.00 22.30 O ATOM 1629 CB LYS A 103 -8.079 28.025 -9.182 1.00 61.43 C ATOM 1630 CG LYS A 103 -6.709 28.366 -9.742 1.00 63.22 C ATOM 1631 CD LYS A 103 -6.421 29.854 -9.644 1.00 51.11 C ATOM 1632 CE LYS A 103 -6.990 30.611 -10.834 1.00 44.21 C ATOM 1633 NZ LYS A 103 -7.981 31.641 -10.415 1.00 11.00 N ATOM 0 H LYS A 103 -10.495 27.904 -8.628 1.00 1.13 H new ATOM 0 HA LYS A 103 -9.054 28.729 -10.962 1.00 4.54 H new ATOM 0 HB2 LYS A 103 -8.368 28.790 -8.461 1.00 61.43 H new ATOM 0 HB3 LYS A 103 -8.015 27.082 -8.638 1.00 61.43 H new ATOM 0 HG2 LYS A 103 -5.945 27.810 -9.199 1.00 63.22 H new ATOM 0 HG3 LYS A 103 -6.652 28.051 -10.784 1.00 63.22 H new ATOM 0 HD2 LYS A 103 -6.849 30.249 -8.722 1.00 51.11 H new ATOM 0 HD3 LYS A 103 -5.344 30.015 -9.590 1.00 51.11 H new ATOM 0 HE2 LYS A 103 -6.178 31.090 -11.381 1.00 44.21 H new ATOM 0 HE3 LYS A 103 -7.465 29.908 -11.518 1.00 44.21 H new ATOM 0 HZ1 LYS A 103 -8.829 31.570 -11.013 1.00 11.00 H new ATOM 0 HZ2 LYS A 103 -8.244 31.486 -9.421 1.00 11.00 H new ATOM 0 HZ3 LYS A 103 -7.563 32.588 -10.518 1.00 11.00 H new