USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 TYR OH : rot 159:sc= 1.23 USER MOD Set 1.2: A 97 THR OG1 : rot 136:sc= 0.649 USER MOD Single : A 9 SER OG : rot 180:sc= -0.112 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= -1.01 X(o=-1,f=-0.64) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.49 K(o=-1.5,f=-7.5!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.552 USER MOD Single : A 47 ASN : amide:sc= -0.993 X(o=-0.99,f=-1.5) USER MOD Single : A 53 THR OG1 : rot -15:sc= 0.937 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.584 USER MOD Single : A 59 GLN : amide:sc= -0.0253 X(o=-0.025,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 67 SER OG : rot 100:sc= 1.27 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc=0.000349 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.721 USER MOD Single : A 80 ASN : amide:sc= -2.9! C(o=-2.9!,f=-3.5!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.0822 USER MOD Single : A 89 HIS : no HD1:sc= -0.239 K(o=0.38,f=-4.1!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 155:sc= 0.701 (180deg=0.348) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 4.169 -6.201 -13.851 1.00 61.41 N ATOM 64 CA VAL A 7 3.154 -5.703 -14.772 1.00 52.45 C ATOM 65 C VAL A 7 2.233 -4.701 -14.084 1.00 73.32 C ATOM 66 O VAL A 7 1.963 -3.623 -14.616 1.00 34.12 O ATOM 67 CB VAL A 7 2.305 -6.852 -15.348 1.00 10.50 C ATOM 68 CG1 VAL A 7 1.260 -6.313 -16.312 1.00 44.23 C ATOM 69 CG2 VAL A 7 3.195 -7.879 -16.032 1.00 43.42 C ATOM 0 HA VAL A 7 3.682 -5.208 -15.587 1.00 52.45 H new ATOM 0 HB VAL A 7 1.785 -7.345 -14.526 1.00 10.50 H new ATOM 0 HG11 VAL A 7 0.670 -7.139 -16.709 1.00 44.23 H new ATOM 0 HG12 VAL A 7 0.604 -5.618 -15.787 1.00 44.23 H new ATOM 0 HG13 VAL A 7 1.755 -5.794 -17.133 1.00 44.23 H new ATOM 0 HG21 VAL A 7 2.579 -8.684 -16.433 1.00 43.42 H new ATOM 0 HG22 VAL A 7 3.743 -7.402 -16.844 1.00 43.42 H new ATOM 0 HG23 VAL A 7 3.901 -8.288 -15.309 1.00 43.42 H new ATOM 79 N LEU A 8 1.754 -5.063 -12.900 1.00 21.50 N ATOM 80 CA LEU A 8 0.862 -4.195 -12.137 1.00 64.23 C ATOM 81 C LEU A 8 1.590 -3.575 -10.950 1.00 13.43 C ATOM 82 O LEU A 8 2.421 -4.221 -10.311 1.00 62.22 O ATOM 83 CB LEU A 8 -0.354 -4.983 -11.650 1.00 20.14 C ATOM 84 CG LEU A 8 -1.420 -5.293 -12.701 1.00 44.44 C ATOM 85 CD1 LEU A 8 -2.512 -6.172 -12.113 1.00 24.33 C ATOM 86 CD2 LEU A 8 -2.010 -4.006 -13.259 1.00 22.43 C ATOM 0 H LEU A 8 1.968 -5.951 -12.446 1.00 21.50 H new ATOM 0 HA LEU A 8 0.527 -3.392 -12.793 1.00 64.23 H new ATOM 0 HB2 LEU A 8 -0.005 -5.925 -11.227 1.00 20.14 H new ATOM 0 HB3 LEU A 8 -0.823 -4.424 -10.840 1.00 20.14 H new ATOM 0 HG LEU A 8 -0.947 -5.837 -13.519 1.00 44.44 H new ATOM 0 HD11 LEU A 8 -3.261 -6.381 -12.877 1.00 24.33 H new ATOM 0 HD12 LEU A 8 -2.077 -7.109 -11.765 1.00 24.33 H new ATOM 0 HD13 LEU A 8 -2.982 -5.657 -11.275 1.00 24.33 H new ATOM 0 HD21 LEU A 8 -2.767 -4.246 -14.006 1.00 22.43 H new ATOM 0 HD22 LEU A 8 -2.466 -3.435 -12.451 1.00 22.43 H new ATOM 0 HD23 LEU A 8 -1.220 -3.414 -13.721 1.00 22.43 H new ATOM 98 N SER A 9 1.273 -2.317 -10.658 1.00 70.12 N ATOM 99 CA SER A 9 1.898 -1.608 -9.548 1.00 1.02 C ATOM 100 C SER A 9 1.185 -1.917 -8.235 1.00 64.24 C ATOM 101 O SER A 9 0.307 -2.778 -8.181 1.00 11.21 O ATOM 102 CB SER A 9 1.886 -0.101 -9.806 1.00 33.35 C ATOM 103 OG SER A 9 0.752 0.509 -9.214 1.00 21.22 O ATOM 0 H SER A 9 0.587 -1.768 -11.175 1.00 70.12 H new ATOM 0 HA SER A 9 2.931 -1.947 -9.469 1.00 1.02 H new ATOM 0 HB2 SER A 9 2.795 0.347 -9.405 1.00 33.35 H new ATOM 0 HB3 SER A 9 1.885 0.087 -10.880 1.00 33.35 H new ATOM 0 HG SER A 9 0.769 1.473 -9.392 1.00 21.22 H new ATOM 109 N GLY A 10 1.568 -1.208 -7.178 1.00 72.04 N ATOM 110 CA GLY A 10 0.956 -1.420 -5.881 1.00 13.33 C ATOM 111 C GLY A 10 -0.537 -1.158 -5.894 1.00 13.25 C ATOM 112 O GLY A 10 -1.325 -1.998 -5.463 1.00 3.23 O ATOM 0 H GLY A 10 2.292 -0.490 -7.198 1.00 72.04 H new ATOM 0 HA2 GLY A 10 1.139 -2.445 -5.560 1.00 13.33 H new ATOM 0 HA3 GLY A 10 1.430 -0.767 -5.148 1.00 13.33 H new ATOM 116 N GLY A 11 -0.927 0.012 -6.389 1.00 40.23 N ATOM 117 CA GLY A 11 -2.334 0.362 -6.446 1.00 72.30 C ATOM 118 C GLY A 11 -3.125 -0.559 -7.353 1.00 60.05 C ATOM 119 O GLY A 11 -4.259 -0.922 -7.044 1.00 75.50 O ATOM 0 H GLY A 11 -0.293 0.724 -6.752 1.00 40.23 H new ATOM 0 HA2 GLY A 11 -2.755 0.326 -5.441 1.00 72.30 H new ATOM 0 HA3 GLY A 11 -2.436 1.389 -6.798 1.00 72.30 H new ATOM 123 N GLU A 12 -2.525 -0.938 -8.477 1.00 0.11 N ATOM 124 CA GLU A 12 -3.182 -1.821 -9.434 1.00 32.03 C ATOM 125 C GLU A 12 -3.315 -3.232 -8.869 1.00 51.11 C ATOM 126 O GLU A 12 -4.317 -3.912 -9.095 1.00 62.02 O ATOM 127 CB GLU A 12 -2.401 -1.857 -10.749 1.00 22.11 C ATOM 128 CG GLU A 12 -1.986 -0.483 -11.249 1.00 24.01 C ATOM 129 CD GLU A 12 -1.328 -0.534 -12.614 1.00 11.24 C ATOM 130 OE1 GLU A 12 -0.198 -1.058 -12.708 1.00 65.43 O ATOM 131 OE2 GLU A 12 -1.942 -0.050 -13.588 1.00 15.22 O ATOM 0 H GLU A 12 -1.585 -0.648 -8.747 1.00 0.11 H new ATOM 0 HA GLU A 12 -4.181 -1.429 -9.625 1.00 32.03 H new ATOM 0 HB2 GLU A 12 -1.510 -2.470 -10.616 1.00 22.11 H new ATOM 0 HB3 GLU A 12 -3.011 -2.343 -11.511 1.00 22.11 H new ATOM 0 HG2 GLU A 12 -2.863 0.163 -11.296 1.00 24.01 H new ATOM 0 HG3 GLU A 12 -1.297 -0.033 -10.534 1.00 24.01 H new ATOM 138 N LEU A 13 -2.297 -3.667 -8.133 1.00 51.11 N ATOM 139 CA LEU A 13 -2.298 -4.997 -7.536 1.00 22.43 C ATOM 140 C LEU A 13 -3.512 -5.187 -6.631 1.00 41.21 C ATOM 141 O LEU A 13 -4.145 -6.243 -6.637 1.00 51.55 O ATOM 142 CB LEU A 13 -1.012 -5.220 -6.737 1.00 64.52 C ATOM 143 CG LEU A 13 -0.722 -6.663 -6.323 1.00 4.22 C ATOM 144 CD1 LEU A 13 -0.286 -7.487 -7.526 1.00 20.41 C ATOM 145 CD2 LEU A 13 0.341 -6.702 -5.235 1.00 40.34 C ATOM 0 H LEU A 13 -1.461 -3.117 -7.936 1.00 51.11 H new ATOM 0 HA LEU A 13 -2.350 -5.730 -8.341 1.00 22.43 H new ATOM 0 HB2 LEU A 13 -0.172 -4.857 -7.329 1.00 64.52 H new ATOM 0 HB3 LEU A 13 -1.056 -4.607 -5.837 1.00 64.52 H new ATOM 0 HG LEU A 13 -1.639 -7.097 -5.924 1.00 4.22 H new ATOM 0 HD11 LEU A 13 -0.084 -8.511 -7.212 1.00 20.41 H new ATOM 0 HD12 LEU A 13 -1.079 -7.487 -8.274 1.00 20.41 H new ATOM 0 HD13 LEU A 13 0.618 -7.054 -7.955 1.00 20.41 H new ATOM 0 HD21 LEU A 13 0.535 -7.737 -4.953 1.00 40.34 H new ATOM 0 HD22 LEU A 13 1.260 -6.249 -5.608 1.00 40.34 H new ATOM 0 HD23 LEU A 13 -0.009 -6.148 -4.364 1.00 40.34 H new ATOM 157 N ASP A 14 -3.832 -4.157 -5.856 1.00 53.40 N ATOM 158 CA ASP A 14 -4.972 -4.208 -4.948 1.00 64.05 C ATOM 159 C ASP A 14 -6.262 -4.496 -5.711 1.00 13.43 C ATOM 160 O ASP A 14 -6.972 -5.456 -5.412 1.00 43.22 O ATOM 161 CB ASP A 14 -5.101 -2.891 -4.182 1.00 52.10 C ATOM 162 CG ASP A 14 -4.191 -2.835 -2.970 1.00 72.43 C ATOM 163 OD1 ASP A 14 -4.450 -3.577 -2.000 1.00 53.13 O ATOM 164 OD2 ASP A 14 -3.222 -2.048 -2.991 1.00 52.44 O ATOM 0 H ASP A 14 -3.318 -3.276 -5.838 1.00 53.40 H new ATOM 0 HA ASP A 14 -4.803 -5.017 -4.237 1.00 64.05 H new ATOM 0 HB2 ASP A 14 -4.865 -2.062 -4.849 1.00 52.10 H new ATOM 0 HB3 ASP A 14 -6.135 -2.759 -3.863 1.00 52.10 H new ATOM 169 N LYS A 15 -6.560 -3.656 -6.696 1.00 71.05 N ATOM 170 CA LYS A 15 -7.764 -3.818 -7.502 1.00 51.24 C ATOM 171 C LYS A 15 -7.732 -5.137 -8.268 1.00 71.34 C ATOM 172 O LYS A 15 -8.746 -5.824 -8.381 1.00 22.10 O ATOM 173 CB LYS A 15 -7.908 -2.651 -8.482 1.00 0.21 C ATOM 174 CG LYS A 15 -8.113 -1.308 -7.802 1.00 10.20 C ATOM 175 CD LYS A 15 -8.430 -0.216 -8.809 1.00 20.14 C ATOM 176 CE LYS A 15 -7.738 1.090 -8.452 1.00 40.42 C ATOM 177 NZ LYS A 15 -7.426 1.902 -9.661 1.00 24.30 N ATOM 0 H LYS A 15 -5.984 -2.855 -6.956 1.00 71.05 H new ATOM 0 HA LYS A 15 -8.622 -3.828 -6.830 1.00 51.24 H new ATOM 0 HB2 LYS A 15 -7.016 -2.600 -9.107 1.00 0.21 H new ATOM 0 HB3 LYS A 15 -8.751 -2.846 -9.145 1.00 0.21 H new ATOM 0 HG2 LYS A 15 -8.926 -1.385 -7.080 1.00 10.20 H new ATOM 0 HG3 LYS A 15 -7.215 -1.041 -7.244 1.00 10.20 H new ATOM 0 HD2 LYS A 15 -8.117 -0.535 -9.803 1.00 20.14 H new ATOM 0 HD3 LYS A 15 -9.508 -0.059 -8.849 1.00 20.14 H new ATOM 0 HE2 LYS A 15 -8.375 1.667 -7.782 1.00 40.42 H new ATOM 0 HE3 LYS A 15 -6.816 0.876 -7.910 1.00 40.42 H new ATOM 0 HZ1 LYS A 15 -6.955 2.784 -9.375 1.00 24.30 H new ATOM 0 HZ2 LYS A 15 -6.797 1.362 -10.289 1.00 24.30 H new ATOM 0 HZ3 LYS A 15 -8.308 2.128 -10.164 1.00 24.30 H new ATOM 191 N TRP A 16 -6.561 -5.484 -8.791 1.00 32.20 N ATOM 192 CA TRP A 16 -6.398 -6.722 -9.544 1.00 50.22 C ATOM 193 C TRP A 16 -6.881 -7.920 -8.735 1.00 35.31 C ATOM 194 O TRP A 16 -7.703 -8.706 -9.205 1.00 11.42 O ATOM 195 CB TRP A 16 -4.932 -6.913 -9.938 1.00 3.53 C ATOM 196 CG TRP A 16 -4.667 -8.218 -10.628 1.00 31.53 C ATOM 197 CD1 TRP A 16 -4.174 -9.359 -10.064 1.00 24.11 C ATOM 198 CD2 TRP A 16 -4.881 -8.512 -12.013 1.00 25.22 C ATOM 199 NE1 TRP A 16 -4.069 -10.345 -11.015 1.00 22.04 N ATOM 200 CE2 TRP A 16 -4.497 -9.852 -12.217 1.00 61.14 C ATOM 201 CE3 TRP A 16 -5.362 -7.776 -13.099 1.00 21.55 C ATOM 202 CZ2 TRP A 16 -4.578 -10.467 -13.465 1.00 13.21 C ATOM 203 CZ3 TRP A 16 -5.441 -8.388 -14.335 1.00 72.45 C ATOM 204 CH2 TRP A 16 -5.052 -9.722 -14.510 1.00 43.02 C ATOM 0 H TRP A 16 -5.711 -4.926 -8.707 1.00 32.20 H new ATOM 0 HA TRP A 16 -7.004 -6.651 -10.447 1.00 50.22 H new ATOM 0 HB2 TRP A 16 -4.630 -6.096 -10.593 1.00 3.53 H new ATOM 0 HB3 TRP A 16 -4.312 -6.851 -9.044 1.00 3.53 H new ATOM 0 HD1 TRP A 16 -3.906 -9.470 -9.024 1.00 24.11 H new ATOM 0 HE1 TRP A 16 -3.727 -11.292 -10.851 1.00 22.04 H new ATOM 0 HE3 TRP A 16 -5.666 -6.747 -12.974 1.00 21.55 H new ATOM 0 HZ2 TRP A 16 -4.277 -11.495 -13.602 1.00 13.21 H new ATOM 0 HZ3 TRP A 16 -5.809 -7.828 -15.182 1.00 72.45 H new ATOM 0 HH2 TRP A 16 -5.128 -10.171 -15.489 1.00 43.02 H new ATOM 215 N GLU A 17 -6.365 -8.053 -7.517 1.00 43.23 N ATOM 216 CA GLU A 17 -6.745 -9.156 -6.644 1.00 25.22 C ATOM 217 C GLU A 17 -8.249 -9.153 -6.384 1.00 63.14 C ATOM 218 O GLU A 17 -8.843 -10.190 -6.092 1.00 25.13 O ATOM 219 CB GLU A 17 -5.988 -9.071 -5.317 1.00 30.14 C ATOM 220 CG GLU A 17 -4.585 -9.650 -5.379 1.00 12.33 C ATOM 221 CD GLU A 17 -4.055 -10.041 -4.013 1.00 50.11 C ATOM 222 OE1 GLU A 17 -4.695 -9.681 -3.003 1.00 22.44 O ATOM 223 OE2 GLU A 17 -3.000 -10.707 -3.954 1.00 30.23 O ATOM 0 H GLU A 17 -5.683 -7.411 -7.113 1.00 43.23 H new ATOM 0 HA GLU A 17 -6.482 -10.087 -7.145 1.00 25.22 H new ATOM 0 HB2 GLU A 17 -5.928 -8.027 -5.009 1.00 30.14 H new ATOM 0 HB3 GLU A 17 -6.556 -9.598 -4.550 1.00 30.14 H new ATOM 0 HG2 GLU A 17 -4.585 -10.525 -6.029 1.00 12.33 H new ATOM 0 HG3 GLU A 17 -3.914 -8.919 -5.830 1.00 12.33 H new ATOM 230 N LYS A 18 -8.859 -7.978 -6.494 1.00 32.51 N ATOM 231 CA LYS A 18 -10.294 -7.836 -6.274 1.00 13.12 C ATOM 232 C LYS A 18 -11.082 -8.351 -7.474 1.00 31.44 C ATOM 233 O LYS A 18 -12.013 -9.142 -7.322 1.00 64.23 O ATOM 234 CB LYS A 18 -10.647 -6.371 -6.008 1.00 72.11 C ATOM 235 CG LYS A 18 -11.993 -6.184 -5.328 1.00 52.00 C ATOM 236 CD LYS A 18 -11.944 -6.605 -3.869 1.00 63.21 C ATOM 237 CE LYS A 18 -12.242 -5.437 -2.942 1.00 4.23 C ATOM 238 NZ LYS A 18 -12.076 -5.810 -1.510 1.00 21.45 N ATOM 0 H LYS A 18 -8.382 -7.109 -6.734 1.00 32.51 H new ATOM 0 HA LYS A 18 -10.564 -8.432 -5.402 1.00 13.12 H new ATOM 0 HB2 LYS A 18 -9.870 -5.926 -5.386 1.00 72.11 H new ATOM 0 HB3 LYS A 18 -10.648 -5.829 -6.954 1.00 72.11 H new ATOM 0 HG2 LYS A 18 -12.294 -5.139 -5.396 1.00 52.00 H new ATOM 0 HG3 LYS A 18 -12.750 -6.768 -5.851 1.00 52.00 H new ATOM 0 HD2 LYS A 18 -12.666 -7.403 -3.695 1.00 63.21 H new ATOM 0 HD3 LYS A 18 -10.959 -7.011 -3.639 1.00 63.21 H new ATOM 0 HE2 LYS A 18 -11.578 -4.606 -3.180 1.00 4.23 H new ATOM 0 HE3 LYS A 18 -13.261 -5.090 -3.111 1.00 4.23 H new ATOM 0 HZ1 LYS A 18 -12.288 -4.987 -0.910 1.00 21.45 H new ATOM 0 HZ2 LYS A 18 -12.727 -6.586 -1.276 1.00 21.45 H new ATOM 0 HZ3 LYS A 18 -11.097 -6.117 -1.343 1.00 21.45 H new ATOM 252 N ILE A 19 -10.703 -7.898 -8.664 1.00 34.44 N ATOM 253 CA ILE A 19 -11.373 -8.315 -9.888 1.00 74.54 C ATOM 254 C ILE A 19 -11.459 -9.835 -9.978 1.00 55.35 C ATOM 255 O ILE A 19 -10.512 -10.541 -9.631 1.00 62.24 O ATOM 256 CB ILE A 19 -10.651 -7.778 -11.137 1.00 51.44 C ATOM 257 CG1 ILE A 19 -10.573 -6.250 -11.092 1.00 20.22 C ATOM 258 CG2 ILE A 19 -11.361 -8.240 -12.400 1.00 73.25 C ATOM 259 CD1 ILE A 19 -9.205 -5.703 -11.437 1.00 64.41 C ATOM 0 H ILE A 19 -9.935 -7.242 -8.806 1.00 34.44 H new ATOM 0 HA ILE A 19 -12.380 -7.898 -9.853 1.00 74.54 H new ATOM 0 HB ILE A 19 -9.636 -8.175 -11.149 1.00 51.44 H new ATOM 0 HG12 ILE A 19 -11.306 -5.837 -11.785 1.00 20.22 H new ATOM 0 HG13 ILE A 19 -10.850 -5.910 -10.094 1.00 20.22 H new ATOM 0 HG21 ILE A 19 -10.838 -7.852 -13.274 1.00 73.25 H new ATOM 0 HG22 ILE A 19 -11.368 -9.329 -12.436 1.00 73.25 H new ATOM 0 HG23 ILE A 19 -12.386 -7.870 -12.397 1.00 73.25 H new ATOM 0 HD11 ILE A 19 -9.225 -4.614 -11.385 1.00 64.41 H new ATOM 0 HD12 ILE A 19 -8.470 -6.087 -10.729 1.00 64.41 H new ATOM 0 HD13 ILE A 19 -8.933 -6.013 -12.446 1.00 64.41 H new ATOM 271 N ARG A 20 -12.600 -10.331 -10.447 1.00 54.53 N ATOM 272 CA ARG A 20 -12.807 -11.767 -10.583 1.00 25.32 C ATOM 273 C ARG A 20 -12.778 -12.184 -12.051 1.00 45.04 C ATOM 274 O ARG A 20 -13.159 -11.414 -12.934 1.00 62.04 O ATOM 275 CB ARG A 20 -14.142 -12.172 -9.954 1.00 22.31 C ATOM 276 CG ARG A 20 -14.000 -13.161 -8.808 1.00 40.23 C ATOM 277 CD ARG A 20 -15.353 -13.531 -8.220 1.00 73.25 C ATOM 278 NE ARG A 20 -15.232 -14.081 -6.873 1.00 34.21 N ATOM 279 CZ ARG A 20 -15.044 -13.335 -5.790 1.00 42.32 C ATOM 280 NH1 ARG A 20 -14.955 -12.017 -5.895 1.00 54.02 N ATOM 281 NH2 ARG A 20 -14.943 -13.909 -4.597 1.00 61.33 N ATOM 0 H ARG A 20 -13.393 -9.760 -10.738 1.00 54.53 H new ATOM 0 HA ARG A 20 -11.997 -12.277 -10.062 1.00 25.32 H new ATOM 0 HB2 ARG A 20 -14.649 -11.278 -9.591 1.00 22.31 H new ATOM 0 HB3 ARG A 20 -14.779 -12.609 -10.723 1.00 22.31 H new ATOM 0 HG2 ARG A 20 -13.498 -14.061 -9.163 1.00 40.23 H new ATOM 0 HG3 ARG A 20 -13.370 -12.730 -8.030 1.00 40.23 H new ATOM 0 HD2 ARG A 20 -15.991 -12.648 -8.195 1.00 73.25 H new ATOM 0 HD3 ARG A 20 -15.842 -14.260 -8.866 1.00 73.25 H new ATOM 0 HE ARG A 20 -15.295 -15.092 -6.757 1.00 34.21 H new ATOM 0 HH11 ARG A 20 -15.031 -11.572 -6.810 1.00 54.02 H new ATOM 0 HH12 ARG A 20 -14.811 -11.448 -5.061 1.00 54.02 H new ATOM 0 HH21 ARG A 20 -15.010 -14.923 -4.512 1.00 61.33 H new ATOM 0 HH22 ARG A 20 -14.799 -13.336 -3.766 1.00 61.33 H new ATOM 295 N LEU A 21 -12.324 -13.407 -12.304 1.00 51.35 N ATOM 296 CA LEU A 21 -12.243 -13.926 -13.665 1.00 61.13 C ATOM 297 C LEU A 21 -13.625 -13.981 -14.309 1.00 61.55 C ATOM 298 O LEU A 21 -13.782 -13.677 -15.491 1.00 71.14 O ATOM 299 CB LEU A 21 -11.613 -15.320 -13.663 1.00 31.30 C ATOM 300 CG LEU A 21 -10.294 -15.459 -12.903 1.00 44.11 C ATOM 301 CD1 LEU A 21 -10.182 -16.841 -12.277 1.00 24.02 C ATOM 302 CD2 LEU A 21 -9.115 -15.193 -13.826 1.00 72.23 C ATOM 0 H LEU A 21 -12.007 -14.057 -11.585 1.00 51.35 H new ATOM 0 HA LEU A 21 -11.617 -13.252 -14.249 1.00 61.13 H new ATOM 0 HB2 LEU A 21 -12.331 -16.021 -13.236 1.00 31.30 H new ATOM 0 HB3 LEU A 21 -11.447 -15.623 -14.697 1.00 31.30 H new ATOM 0 HG LEU A 21 -10.278 -14.718 -12.104 1.00 44.11 H new ATOM 0 HD11 LEU A 21 -9.237 -16.922 -11.740 1.00 24.02 H new ATOM 0 HD12 LEU A 21 -11.008 -16.994 -11.582 1.00 24.02 H new ATOM 0 HD13 LEU A 21 -10.221 -17.599 -13.059 1.00 24.02 H new ATOM 0 HD21 LEU A 21 -8.185 -15.297 -13.267 1.00 72.23 H new ATOM 0 HD22 LEU A 21 -9.127 -15.910 -14.647 1.00 72.23 H new ATOM 0 HD23 LEU A 21 -9.187 -14.182 -14.226 1.00 72.23 H new ATOM 314 N ARG A 22 -14.624 -14.369 -13.523 1.00 33.24 N ATOM 315 CA ARG A 22 -15.992 -14.462 -14.017 1.00 33.33 C ATOM 316 C ARG A 22 -16.928 -13.580 -13.194 1.00 61.22 C ATOM 317 O ARG A 22 -16.627 -13.198 -12.063 1.00 64.10 O ATOM 318 CB ARG A 22 -16.474 -15.913 -13.974 1.00 25.33 C ATOM 319 CG ARG A 22 -16.546 -16.571 -15.343 1.00 24.24 C ATOM 320 CD ARG A 22 -17.811 -17.402 -15.495 1.00 44.52 C ATOM 321 NE ARG A 22 -17.873 -18.489 -14.520 1.00 50.44 N ATOM 322 CZ ARG A 22 -18.906 -19.315 -14.404 1.00 73.21 C ATOM 323 NH1 ARG A 22 -19.959 -19.178 -15.198 1.00 22.13 N ATOM 324 NH2 ARG A 22 -18.888 -20.279 -13.493 1.00 75.02 N ATOM 0 H ARG A 22 -14.511 -14.624 -12.542 1.00 33.24 H new ATOM 0 HA ARG A 22 -16.004 -14.112 -15.049 1.00 33.33 H new ATOM 0 HB2 ARG A 22 -15.804 -16.491 -13.337 1.00 25.33 H new ATOM 0 HB3 ARG A 22 -17.461 -15.946 -13.512 1.00 25.33 H new ATOM 0 HG2 ARG A 22 -16.517 -15.805 -16.118 1.00 24.24 H new ATOM 0 HG3 ARG A 22 -15.672 -17.206 -15.489 1.00 24.24 H new ATOM 0 HD2 ARG A 22 -18.683 -16.759 -15.377 1.00 44.52 H new ATOM 0 HD3 ARG A 22 -17.854 -17.816 -16.502 1.00 44.52 H new ATOM 0 HE ARG A 22 -17.079 -18.620 -13.894 1.00 50.44 H new ATOM 0 HH11 ARG A 22 -19.976 -18.437 -15.899 1.00 22.13 H new ATOM 0 HH12 ARG A 22 -20.752 -19.813 -15.108 1.00 22.13 H new ATOM 0 HH21 ARG A 22 -18.080 -20.387 -12.880 1.00 75.02 H new ATOM 0 HH22 ARG A 22 -19.682 -20.913 -13.405 1.00 75.02 H new ATOM 338 N PRO A 23 -18.090 -13.247 -13.776 1.00 2.44 N ATOM 339 CA PRO A 23 -19.094 -12.406 -13.116 1.00 44.41 C ATOM 340 C PRO A 23 -19.769 -13.118 -11.948 1.00 43.31 C ATOM 341 O PRO A 23 -20.135 -12.492 -10.955 1.00 32.31 O ATOM 342 CB PRO A 23 -20.106 -12.124 -14.228 1.00 34.44 C ATOM 343 CG PRO A 23 -19.964 -13.268 -15.170 1.00 54.24 C ATOM 344 CD PRO A 23 -18.514 -13.666 -15.122 1.00 21.32 C ATOM 0 HA PRO A 23 -18.654 -11.507 -12.684 1.00 44.41 H new ATOM 0 HB2 PRO A 23 -21.120 -12.060 -13.833 1.00 34.44 H new ATOM 0 HB3 PRO A 23 -19.896 -11.176 -14.723 1.00 34.44 H new ATOM 0 HG2 PRO A 23 -20.606 -14.098 -14.876 1.00 54.24 H new ATOM 0 HG3 PRO A 23 -20.257 -12.981 -16.180 1.00 54.24 H new ATOM 0 HD2 PRO A 23 -18.387 -14.739 -15.268 1.00 21.32 H new ATOM 0 HD3 PRO A 23 -17.935 -13.168 -15.899 1.00 21.32 H new ATOM 352 N GLY A 24 -19.930 -14.432 -12.075 1.00 11.44 N ATOM 353 CA GLY A 24 -20.560 -15.207 -11.023 1.00 12.13 C ATOM 354 C GLY A 24 -19.737 -16.414 -10.619 1.00 11.22 C ATOM 355 O GLY A 24 -20.148 -17.554 -10.829 1.00 63.44 O ATOM 0 H GLY A 24 -19.635 -14.973 -12.888 1.00 11.44 H new ATOM 0 HA2 GLY A 24 -20.718 -14.571 -10.152 1.00 12.13 H new ATOM 0 HA3 GLY A 24 -21.543 -15.537 -11.359 1.00 12.13 H new ATOM 359 N GLY A 25 -18.568 -16.163 -10.036 1.00 60.10 N ATOM 360 CA GLY A 25 -17.703 -17.248 -9.612 1.00 44.11 C ATOM 361 C GLY A 25 -17.157 -17.042 -8.213 1.00 50.45 C ATOM 362 O GLY A 25 -17.601 -16.150 -7.490 1.00 2.22 O ATOM 0 H GLY A 25 -18.205 -15.228 -9.850 1.00 60.10 H new ATOM 0 HA2 GLY A 25 -18.258 -18.186 -9.648 1.00 44.11 H new ATOM 0 HA3 GLY A 25 -16.873 -17.342 -10.312 1.00 44.11 H new ATOM 366 N LYS A 26 -16.190 -17.869 -7.829 1.00 64.13 N ATOM 367 CA LYS A 26 -15.582 -17.775 -6.507 1.00 33.12 C ATOM 368 C LYS A 26 -14.063 -17.870 -6.599 1.00 41.45 C ATOM 369 O LYS A 26 -13.418 -18.501 -5.762 1.00 43.53 O ATOM 370 CB LYS A 26 -16.118 -18.881 -5.596 1.00 33.33 C ATOM 371 CG LYS A 26 -16.307 -18.443 -4.154 1.00 72.31 C ATOM 372 CD LYS A 26 -16.122 -19.602 -3.190 1.00 2.42 C ATOM 373 CE LYS A 26 -17.434 -19.994 -2.528 1.00 42.34 C ATOM 374 NZ LYS A 26 -17.520 -21.462 -2.294 1.00 63.20 N ATOM 0 H LYS A 26 -15.810 -18.612 -8.415 1.00 64.13 H new ATOM 0 HA LYS A 26 -15.843 -16.805 -6.083 1.00 33.12 H new ATOM 0 HB2 LYS A 26 -17.072 -19.233 -5.988 1.00 33.33 H new ATOM 0 HB3 LYS A 26 -15.431 -19.727 -5.623 1.00 33.33 H new ATOM 0 HG2 LYS A 26 -15.594 -17.654 -3.916 1.00 72.31 H new ATOM 0 HG3 LYS A 26 -17.304 -18.020 -4.029 1.00 72.31 H new ATOM 0 HD2 LYS A 26 -15.713 -20.459 -3.725 1.00 2.42 H new ATOM 0 HD3 LYS A 26 -15.396 -19.328 -2.425 1.00 2.42 H new ATOM 0 HE2 LYS A 26 -17.533 -19.468 -1.578 1.00 42.34 H new ATOM 0 HE3 LYS A 26 -18.267 -19.677 -3.156 1.00 42.34 H new ATOM 0 HZ1 LYS A 26 -18.429 -21.689 -1.841 1.00 63.20 H new ATOM 0 HZ2 LYS A 26 -17.451 -21.963 -3.203 1.00 63.20 H new ATOM 0 HZ3 LYS A 26 -16.740 -21.761 -1.674 1.00 63.20 H new ATOM 388 N LYS A 27 -13.496 -17.238 -7.621 1.00 53.41 N ATOM 389 CA LYS A 27 -12.051 -17.248 -7.822 1.00 13.13 C ATOM 390 C LYS A 27 -11.567 -15.903 -8.354 1.00 3.51 C ATOM 391 O LYS A 27 -11.575 -15.664 -9.561 1.00 71.51 O ATOM 392 CB LYS A 27 -11.659 -18.364 -8.792 1.00 54.22 C ATOM 393 CG LYS A 27 -10.179 -18.707 -8.758 1.00 61.02 C ATOM 394 CD LYS A 27 -9.728 -19.358 -10.056 1.00 31.24 C ATOM 395 CE LYS A 27 -8.996 -20.666 -9.796 1.00 61.11 C ATOM 396 NZ LYS A 27 -7.934 -20.917 -10.810 1.00 32.13 N ATOM 0 H LYS A 27 -14.015 -16.712 -8.324 1.00 53.41 H new ATOM 0 HA LYS A 27 -11.576 -17.430 -6.858 1.00 13.13 H new ATOM 0 HB2 LYS A 27 -12.236 -19.258 -8.557 1.00 54.22 H new ATOM 0 HB3 LYS A 27 -11.931 -18.066 -9.805 1.00 54.22 H new ATOM 0 HG2 LYS A 27 -9.598 -17.801 -8.583 1.00 61.02 H new ATOM 0 HG3 LYS A 27 -9.979 -19.380 -7.924 1.00 61.02 H new ATOM 0 HD2 LYS A 27 -10.594 -19.544 -10.692 1.00 31.24 H new ATOM 0 HD3 LYS A 27 -9.075 -18.675 -10.599 1.00 31.24 H new ATOM 0 HE2 LYS A 27 -8.550 -20.642 -8.802 1.00 61.11 H new ATOM 0 HE3 LYS A 27 -9.710 -21.490 -9.805 1.00 61.11 H new ATOM 0 HZ1 LYS A 27 -7.458 -21.817 -10.599 1.00 32.13 H new ATOM 0 HZ2 LYS A 27 -8.362 -20.965 -11.757 1.00 32.13 H new ATOM 0 HZ3 LYS A 27 -7.239 -20.144 -10.784 1.00 32.13 H new ATOM 410 N GLN A 28 -11.142 -15.031 -7.445 1.00 53.14 N ATOM 411 CA GLN A 28 -10.652 -13.711 -7.825 1.00 71.34 C ATOM 412 C GLN A 28 -9.393 -13.822 -8.678 1.00 50.32 C ATOM 413 O GLN A 28 -8.913 -14.922 -8.953 1.00 52.34 O ATOM 414 CB GLN A 28 -10.367 -12.872 -6.578 1.00 52.14 C ATOM 415 CG GLN A 28 -11.468 -12.939 -5.534 1.00 70.31 C ATOM 416 CD GLN A 28 -11.039 -13.675 -4.279 1.00 74.44 C ATOM 417 OE1 GLN A 28 -9.914 -13.518 -3.808 1.00 53.05 O ATOM 418 NE2 GLN A 28 -11.938 -14.485 -3.733 1.00 32.24 N ATOM 0 H GLN A 28 -11.127 -15.214 -6.442 1.00 53.14 H new ATOM 0 HA GLN A 28 -11.425 -13.220 -8.416 1.00 71.34 H new ATOM 0 HB2 GLN A 28 -9.432 -13.209 -6.130 1.00 52.14 H new ATOM 0 HB3 GLN A 28 -10.222 -11.833 -6.875 1.00 52.14 H new ATOM 0 HG2 GLN A 28 -11.775 -11.927 -5.270 1.00 70.31 H new ATOM 0 HG3 GLN A 28 -12.339 -13.435 -5.962 1.00 70.31 H new ATOM 0 HE21 GLN A 28 -12.860 -14.584 -4.158 1.00 32.24 H new ATOM 0 HE22 GLN A 28 -11.707 -15.008 -2.888 1.00 32.24 H new ATOM 427 N TYR A 29 -8.863 -12.677 -9.093 1.00 14.50 N ATOM 428 CA TYR A 29 -7.661 -12.645 -9.917 1.00 45.22 C ATOM 429 C TYR A 29 -6.405 -12.717 -9.053 1.00 33.40 C ATOM 430 O TYR A 29 -6.391 -12.242 -7.917 1.00 74.22 O ATOM 431 CB TYR A 29 -7.634 -11.376 -10.770 1.00 33.23 C ATOM 432 CG TYR A 29 -8.099 -11.591 -12.192 1.00 4.02 C ATOM 433 CD1 TYR A 29 -7.263 -12.177 -13.136 1.00 14.45 C ATOM 434 CD2 TYR A 29 -9.373 -11.210 -12.593 1.00 63.40 C ATOM 435 CE1 TYR A 29 -7.683 -12.375 -14.437 1.00 1.00 C ATOM 436 CE2 TYR A 29 -9.802 -11.407 -13.891 1.00 4.02 C ATOM 437 CZ TYR A 29 -8.954 -11.990 -14.809 1.00 55.22 C ATOM 438 OH TYR A 29 -9.377 -12.185 -16.104 1.00 43.22 O ATOM 0 H TYR A 29 -9.247 -11.758 -8.872 1.00 14.50 H new ATOM 0 HA TYR A 29 -7.679 -13.515 -10.573 1.00 45.22 H new ATOM 0 HB2 TYR A 29 -8.264 -10.620 -10.301 1.00 33.23 H new ATOM 0 HB3 TYR A 29 -6.619 -10.980 -10.785 1.00 33.23 H new ATOM 0 HD1 TYR A 29 -6.268 -12.483 -12.847 1.00 14.45 H new ATOM 0 HD2 TYR A 29 -10.040 -10.752 -11.878 1.00 63.40 H new ATOM 0 HE1 TYR A 29 -7.020 -12.829 -15.159 1.00 1.00 H new ATOM 0 HE2 TYR A 29 -10.797 -11.106 -14.186 1.00 4.02 H new ATOM 0 HH TYR A 29 -10.357 -12.182 -16.132 1.00 43.22 H new ATOM 448 N LYS A 30 -5.352 -13.315 -9.599 1.00 34.14 N ATOM 449 CA LYS A 30 -4.090 -13.448 -8.881 1.00 61.34 C ATOM 450 C LYS A 30 -2.907 -13.353 -9.839 1.00 50.21 C ATOM 451 O LYS A 30 -3.069 -13.455 -11.055 1.00 33.30 O ATOM 452 CB LYS A 30 -4.045 -14.781 -8.131 1.00 31.34 C ATOM 453 CG LYS A 30 -3.896 -14.627 -6.626 1.00 61.02 C ATOM 454 CD LYS A 30 -3.479 -15.934 -5.971 1.00 54.54 C ATOM 455 CE LYS A 30 -4.024 -16.045 -4.556 1.00 5.42 C ATOM 456 NZ LYS A 30 -3.027 -15.608 -3.541 1.00 4.44 N ATOM 0 H LYS A 30 -5.347 -13.716 -10.537 1.00 34.14 H new ATOM 0 HA LYS A 30 -4.021 -12.631 -8.163 1.00 61.34 H new ATOM 0 HB2 LYS A 30 -4.958 -15.338 -8.342 1.00 31.34 H new ATOM 0 HB3 LYS A 30 -3.214 -15.375 -8.511 1.00 31.34 H new ATOM 0 HG2 LYS A 30 -3.155 -13.858 -6.410 1.00 61.02 H new ATOM 0 HG3 LYS A 30 -4.840 -14.289 -6.198 1.00 61.02 H new ATOM 0 HD2 LYS A 30 -3.838 -16.772 -6.568 1.00 54.54 H new ATOM 0 HD3 LYS A 30 -2.391 -16.001 -5.950 1.00 54.54 H new ATOM 0 HE2 LYS A 30 -4.925 -15.438 -4.465 1.00 5.42 H new ATOM 0 HE3 LYS A 30 -4.314 -17.077 -4.359 1.00 5.42 H new ATOM 0 HZ1 LYS A 30 -3.437 -15.699 -2.590 1.00 4.44 H new ATOM 0 HZ2 LYS A 30 -2.177 -16.204 -3.610 1.00 4.44 H new ATOM 0 HZ3 LYS A 30 -2.769 -14.615 -3.713 1.00 4.44 H new ATOM 470 N LEU A 31 -1.716 -13.158 -9.283 1.00 71.32 N ATOM 471 CA LEU A 31 -0.504 -13.050 -10.087 1.00 73.44 C ATOM 472 C LEU A 31 -0.378 -14.231 -11.045 1.00 21.53 C ATOM 473 O LEU A 31 0.187 -14.107 -12.131 1.00 3.54 O ATOM 474 CB LEU A 31 0.727 -12.978 -9.184 1.00 2.52 C ATOM 475 CG LEU A 31 1.164 -11.578 -8.753 1.00 21.44 C ATOM 476 CD1 LEU A 31 1.837 -11.625 -7.390 1.00 52.03 C ATOM 477 CD2 LEU A 31 2.094 -10.966 -9.790 1.00 13.55 C ATOM 0 H LEU A 31 -1.564 -13.071 -8.278 1.00 71.32 H new ATOM 0 HA LEU A 31 -0.569 -12.134 -10.675 1.00 73.44 H new ATOM 0 HB2 LEU A 31 0.530 -13.567 -8.288 1.00 2.52 H new ATOM 0 HB3 LEU A 31 1.560 -13.453 -9.701 1.00 2.52 H new ATOM 0 HG LEU A 31 0.277 -10.949 -8.675 1.00 21.44 H new ATOM 0 HD11 LEU A 31 2.141 -10.619 -7.100 1.00 52.03 H new ATOM 0 HD12 LEU A 31 1.138 -12.020 -6.653 1.00 52.03 H new ATOM 0 HD13 LEU A 31 2.715 -12.270 -7.440 1.00 52.03 H new ATOM 0 HD21 LEU A 31 2.395 -9.970 -9.466 1.00 13.55 H new ATOM 0 HD22 LEU A 31 2.978 -11.594 -9.901 1.00 13.55 H new ATOM 0 HD23 LEU A 31 1.576 -10.896 -10.747 1.00 13.55 H new ATOM 489 N LYS A 32 -0.913 -15.377 -10.635 1.00 20.12 N ATOM 490 CA LYS A 32 -0.866 -16.581 -11.456 1.00 53.15 C ATOM 491 C LYS A 32 -1.390 -16.302 -12.861 1.00 1.22 C ATOM 492 O LYS A 32 -0.869 -16.830 -13.845 1.00 21.21 O ATOM 493 CB LYS A 32 -1.685 -17.699 -10.807 1.00 35.44 C ATOM 494 CG LYS A 32 -0.976 -18.377 -9.647 1.00 65.32 C ATOM 495 CD LYS A 32 -1.296 -19.862 -9.592 1.00 12.34 C ATOM 496 CE LYS A 32 -1.811 -20.270 -8.219 1.00 53.43 C ATOM 497 NZ LYS A 32 -1.545 -21.706 -7.932 1.00 44.13 N ATOM 0 H LYS A 32 -1.384 -15.497 -9.738 1.00 20.12 H new ATOM 0 HA LYS A 32 0.174 -16.899 -11.531 1.00 53.15 H new ATOM 0 HB2 LYS A 32 -2.630 -17.287 -10.454 1.00 35.44 H new ATOM 0 HB3 LYS A 32 -1.926 -18.447 -11.562 1.00 35.44 H new ATOM 0 HG2 LYS A 32 0.101 -18.239 -9.746 1.00 65.32 H new ATOM 0 HG3 LYS A 32 -1.273 -17.904 -8.711 1.00 65.32 H new ATOM 0 HD2 LYS A 32 -2.043 -20.103 -10.348 1.00 12.34 H new ATOM 0 HD3 LYS A 32 -0.402 -20.437 -9.832 1.00 12.34 H new ATOM 0 HE2 LYS A 32 -1.337 -19.653 -7.455 1.00 53.43 H new ATOM 0 HE3 LYS A 32 -2.883 -20.081 -8.162 1.00 53.43 H new ATOM 0 HZ1 LYS A 32 -1.911 -21.945 -6.988 1.00 44.13 H new ATOM 0 HZ2 LYS A 32 -2.018 -22.296 -8.646 1.00 44.13 H new ATOM 0 HZ3 LYS A 32 -0.520 -21.882 -7.961 1.00 44.13 H new ATOM 511 N HIS A 33 -2.422 -15.469 -12.948 1.00 45.23 N ATOM 512 CA HIS A 33 -3.015 -15.119 -14.235 1.00 31.32 C ATOM 513 C HIS A 33 -2.148 -14.104 -14.973 1.00 51.44 C ATOM 514 O HIS A 33 -2.093 -14.193 -16.201 1.00 23.42 O ATOM 515 CB HIS A 33 -4.421 -14.553 -14.034 1.00 61.52 C ATOM 516 CG HIS A 33 -5.270 -15.372 -13.109 1.00 71.45 C ATOM 517 ND1 HIS A 33 -5.968 -14.830 -12.052 1.00 3.12 N ATOM 518 CD2 HIS A 33 -5.531 -16.700 -13.090 1.00 42.23 C ATOM 519 CE1 HIS A 33 -6.621 -15.790 -11.420 1.00 42.42 C ATOM 520 NE2 HIS A 33 -6.373 -16.935 -12.032 1.00 40.23 N ATOM 0 H HIS A 33 -2.865 -15.024 -12.144 1.00 45.23 H new ATOM 0 HA HIS A 33 -3.078 -16.025 -14.838 1.00 31.32 H new ATOM 0 HB2 HIS A 33 -4.343 -13.539 -13.641 1.00 61.52 H new ATOM 0 HB3 HIS A 33 -4.917 -14.482 -15.002 1.00 61.52 H new ATOM 0 HD2 HIS A 33 -5.148 -17.438 -13.779 1.00 42.23 H new ATOM 0 HE1 HIS A 33 -7.250 -15.661 -10.552 1.00 42.42 H new ATOM 0 HE2 HIS A 33 -6.747 -17.845 -11.762 1.00 40.23 H new ATOM 528 N ILE A 34 -1.491 -13.175 -14.286 1.00 25.42 N ATOM 529 CA ILE A 34 -0.650 -12.186 -14.949 1.00 24.32 C ATOM 530 C ILE A 34 0.574 -12.841 -15.582 1.00 34.11 C ATOM 531 O ILE A 34 1.015 -12.445 -16.660 1.00 74.24 O ATOM 532 CB ILE A 34 -0.184 -11.095 -13.967 1.00 51.12 C ATOM 533 CG1 ILE A 34 -1.380 -10.518 -13.207 1.00 72.22 C ATOM 534 CG2 ILE A 34 0.558 -9.995 -14.711 1.00 14.34 C ATOM 535 CD1 ILE A 34 -0.994 -9.502 -12.155 1.00 62.01 C ATOM 0 H ILE A 34 -1.525 -13.087 -13.270 1.00 25.42 H new ATOM 0 HA ILE A 34 -1.257 -11.726 -15.729 1.00 24.32 H new ATOM 0 HB ILE A 34 0.499 -11.544 -13.246 1.00 51.12 H new ATOM 0 HG12 ILE A 34 -2.061 -10.051 -13.918 1.00 72.22 H new ATOM 0 HG13 ILE A 34 -1.925 -11.333 -12.731 1.00 72.22 H new ATOM 0 HG21 ILE A 34 0.881 -9.231 -14.004 1.00 14.34 H new ATOM 0 HG22 ILE A 34 1.429 -10.418 -15.211 1.00 14.34 H new ATOM 0 HG23 ILE A 34 -0.104 -9.547 -15.452 1.00 14.34 H new ATOM 0 HD11 ILE A 34 -1.891 -9.136 -11.657 1.00 62.01 H new ATOM 0 HD12 ILE A 34 -0.337 -9.969 -11.422 1.00 62.01 H new ATOM 0 HD13 ILE A 34 -0.475 -8.668 -12.628 1.00 62.01 H new ATOM 547 N VAL A 35 1.117 -13.848 -14.904 1.00 32.12 N ATOM 548 CA VAL A 35 2.288 -14.560 -15.401 1.00 73.11 C ATOM 549 C VAL A 35 1.896 -15.599 -16.445 1.00 25.11 C ATOM 550 O VAL A 35 2.609 -15.807 -17.427 1.00 14.22 O ATOM 551 CB VAL A 35 3.047 -15.258 -14.257 1.00 71.11 C ATOM 552 CG1 VAL A 35 4.246 -16.020 -14.800 1.00 2.33 C ATOM 553 CG2 VAL A 35 3.478 -14.244 -13.209 1.00 3.54 C ATOM 0 H VAL A 35 0.764 -14.189 -14.010 1.00 32.12 H new ATOM 0 HA VAL A 35 2.940 -13.817 -15.859 1.00 73.11 H new ATOM 0 HB VAL A 35 2.377 -15.974 -13.782 1.00 71.11 H new ATOM 0 HG11 VAL A 35 4.770 -16.507 -13.978 1.00 2.33 H new ATOM 0 HG12 VAL A 35 3.907 -16.773 -15.511 1.00 2.33 H new ATOM 0 HG13 VAL A 35 4.921 -15.326 -15.301 1.00 2.33 H new ATOM 0 HG21 VAL A 35 4.013 -14.754 -12.408 1.00 3.54 H new ATOM 0 HG22 VAL A 35 4.132 -13.502 -13.668 1.00 3.54 H new ATOM 0 HG23 VAL A 35 2.598 -13.748 -12.799 1.00 3.54 H new ATOM 563 N TRP A 36 0.759 -16.250 -16.227 1.00 33.23 N ATOM 564 CA TRP A 36 0.272 -17.269 -17.150 1.00 34.03 C ATOM 565 C TRP A 36 0.150 -16.709 -18.562 1.00 45.24 C ATOM 566 O TRP A 36 0.401 -17.411 -19.542 1.00 4.34 O ATOM 567 CB TRP A 36 -1.082 -17.805 -16.682 1.00 0.34 C ATOM 568 CG TRP A 36 -1.700 -18.775 -17.641 1.00 24.31 C ATOM 569 CD1 TRP A 36 -1.683 -20.139 -17.554 1.00 71.23 C ATOM 570 CD2 TRP A 36 -2.425 -18.458 -18.834 1.00 52.44 C ATOM 571 NE1 TRP A 36 -2.354 -20.686 -18.621 1.00 2.32 N ATOM 572 CE2 TRP A 36 -2.819 -19.676 -19.421 1.00 11.41 C ATOM 573 CE3 TRP A 36 -2.781 -17.262 -19.464 1.00 74.02 C ATOM 574 CZ2 TRP A 36 -3.550 -19.731 -20.605 1.00 54.50 C ATOM 575 CZ3 TRP A 36 -3.506 -17.317 -20.639 1.00 51.04 C ATOM 576 CH2 TRP A 36 -3.884 -18.544 -21.199 1.00 22.44 C ATOM 0 H TRP A 36 0.157 -16.090 -15.419 1.00 33.23 H new ATOM 0 HA TRP A 36 0.993 -18.086 -17.164 1.00 34.03 H new ATOM 0 HB2 TRP A 36 -0.957 -18.291 -15.714 1.00 0.34 H new ATOM 0 HB3 TRP A 36 -1.764 -16.968 -16.533 1.00 0.34 H new ATOM 0 HD1 TRP A 36 -1.212 -20.704 -16.763 1.00 71.23 H new ATOM 0 HE1 TRP A 36 -2.485 -21.683 -18.790 1.00 2.32 H new ATOM 0 HE3 TRP A 36 -2.494 -16.311 -19.040 1.00 74.02 H new ATOM 0 HZ2 TRP A 36 -3.843 -20.676 -21.039 1.00 54.50 H new ATOM 0 HZ3 TRP A 36 -3.786 -16.399 -21.134 1.00 51.04 H new ATOM 0 HH2 TRP A 36 -4.451 -18.554 -22.118 1.00 22.44 H new ATOM 587 N ALA A 37 -0.237 -15.441 -18.661 1.00 44.30 N ATOM 588 CA ALA A 37 -0.389 -14.787 -19.955 1.00 24.12 C ATOM 589 C ALA A 37 0.966 -14.417 -20.547 1.00 1.11 C ATOM 590 O ALA A 37 1.204 -14.599 -21.740 1.00 71.13 O ATOM 591 CB ALA A 37 -1.265 -13.550 -19.821 1.00 25.03 C ATOM 0 H ALA A 37 -0.451 -14.846 -17.860 1.00 44.30 H new ATOM 0 HA ALA A 37 -0.872 -15.489 -20.634 1.00 24.12 H new ATOM 0 HB1 ALA A 37 -1.370 -13.071 -20.795 1.00 25.03 H new ATOM 0 HB2 ALA A 37 -2.249 -13.839 -19.451 1.00 25.03 H new ATOM 0 HB3 ALA A 37 -0.805 -12.852 -19.122 1.00 25.03 H new ATOM 597 N SER A 38 1.851 -13.896 -19.703 1.00 54.53 N ATOM 598 CA SER A 38 3.183 -13.495 -20.144 1.00 62.45 C ATOM 599 C SER A 38 3.904 -14.658 -20.821 1.00 73.11 C ATOM 600 O SER A 38 4.627 -14.469 -21.800 1.00 33.22 O ATOM 601 CB SER A 38 4.006 -12.991 -18.957 1.00 63.12 C ATOM 602 OG SER A 38 5.360 -13.397 -19.067 1.00 20.42 O ATOM 0 H SER A 38 1.671 -13.742 -18.711 1.00 54.53 H new ATOM 0 HA SER A 38 3.072 -12.688 -20.868 1.00 62.45 H new ATOM 0 HB2 SER A 38 3.952 -11.903 -18.908 1.00 63.12 H new ATOM 0 HB3 SER A 38 3.583 -13.373 -18.028 1.00 63.12 H new ATOM 0 HG SER A 38 5.866 -13.061 -18.298 1.00 20.42 H new ATOM 608 N ARG A 39 3.701 -15.860 -20.292 1.00 32.31 N ATOM 609 CA ARG A 39 4.332 -17.053 -20.843 1.00 14.22 C ATOM 610 C ARG A 39 3.759 -17.386 -22.218 1.00 20.45 C ATOM 611 O ARG A 39 4.500 -17.682 -23.154 1.00 2.34 O ATOM 612 CB ARG A 39 4.139 -18.241 -19.897 1.00 54.54 C ATOM 613 CG ARG A 39 4.788 -19.523 -20.391 1.00 50.32 C ATOM 614 CD ARG A 39 4.590 -20.663 -19.404 1.00 61.34 C ATOM 615 NE ARG A 39 5.500 -20.565 -18.265 1.00 24.43 N ATOM 616 CZ ARG A 39 5.786 -21.587 -17.465 1.00 53.11 C ATOM 617 NH1 ARG A 39 5.239 -22.775 -17.678 1.00 73.41 N ATOM 618 NH2 ARG A 39 6.623 -21.419 -16.449 1.00 4.21 N ATOM 0 H ARG A 39 3.105 -16.033 -19.483 1.00 32.31 H new ATOM 0 HA ARG A 39 5.398 -16.852 -20.952 1.00 14.22 H new ATOM 0 HB2 ARG A 39 4.551 -17.988 -18.920 1.00 54.54 H new ATOM 0 HB3 ARG A 39 3.072 -18.414 -19.757 1.00 54.54 H new ATOM 0 HG2 ARG A 39 4.364 -19.798 -21.357 1.00 50.32 H new ATOM 0 HG3 ARG A 39 5.854 -19.356 -20.547 1.00 50.32 H new ATOM 0 HD2 ARG A 39 3.560 -20.658 -19.047 1.00 61.34 H new ATOM 0 HD3 ARG A 39 4.747 -21.614 -19.913 1.00 61.34 H new ATOM 0 HE ARG A 39 5.939 -19.664 -18.074 1.00 24.43 H new ATOM 0 HH11 ARG A 39 4.596 -22.908 -18.458 1.00 73.41 H new ATOM 0 HH12 ARG A 39 5.461 -23.557 -17.062 1.00 73.41 H new ATOM 0 HH21 ARG A 39 7.046 -20.506 -16.283 1.00 4.21 H new ATOM 0 HH22 ARG A 39 6.843 -22.203 -15.835 1.00 4.21 H new ATOM 632 N GLU A 40 2.435 -17.334 -22.329 1.00 45.52 N ATOM 633 CA GLU A 40 1.763 -17.632 -23.589 1.00 52.12 C ATOM 634 C GLU A 40 2.041 -16.544 -24.624 1.00 21.13 C ATOM 635 O GLU A 40 2.000 -16.793 -25.829 1.00 21.42 O ATOM 636 CB GLU A 40 0.256 -17.769 -23.369 1.00 63.31 C ATOM 637 CG GLU A 40 -0.409 -18.759 -24.309 1.00 64.13 C ATOM 638 CD GLU A 40 -0.007 -20.194 -24.025 1.00 72.31 C ATOM 639 OE1 GLU A 40 -0.476 -20.750 -23.009 1.00 60.43 O ATOM 640 OE2 GLU A 40 0.775 -20.760 -24.817 1.00 73.21 O ATOM 0 H GLU A 40 1.807 -17.089 -21.563 1.00 45.52 H new ATOM 0 HA GLU A 40 2.155 -18.577 -23.966 1.00 52.12 H new ATOM 0 HB2 GLU A 40 0.074 -18.080 -22.340 1.00 63.31 H new ATOM 0 HB3 GLU A 40 -0.211 -16.792 -23.494 1.00 63.31 H new ATOM 0 HG2 GLU A 40 -1.492 -18.665 -24.223 1.00 64.13 H new ATOM 0 HG3 GLU A 40 -0.148 -18.509 -25.337 1.00 64.13 H new ATOM 647 N LEU A 41 2.322 -15.337 -24.143 1.00 24.21 N ATOM 648 CA LEU A 41 2.606 -14.211 -25.025 1.00 12.03 C ATOM 649 C LEU A 41 3.924 -14.416 -25.764 1.00 71.40 C ATOM 650 O LEU A 41 3.966 -14.394 -26.994 1.00 73.40 O ATOM 651 CB LEU A 41 2.656 -12.909 -24.222 1.00 23.35 C ATOM 652 CG LEU A 41 1.331 -12.160 -24.076 1.00 75.22 C ATOM 653 CD1 LEU A 41 1.509 -10.926 -23.206 1.00 54.44 C ATOM 654 CD2 LEU A 41 0.780 -11.778 -25.443 1.00 12.44 C ATOM 0 H LEU A 41 2.359 -15.114 -23.148 1.00 24.21 H new ATOM 0 HA LEU A 41 1.805 -14.147 -25.761 1.00 12.03 H new ATOM 0 HB2 LEU A 41 3.035 -13.135 -23.225 1.00 23.35 H new ATOM 0 HB3 LEU A 41 3.378 -12.242 -24.694 1.00 23.35 H new ATOM 0 HG LEU A 41 0.613 -12.821 -23.590 1.00 75.22 H new ATOM 0 HD11 LEU A 41 0.556 -10.406 -23.113 1.00 54.44 H new ATOM 0 HD12 LEU A 41 1.857 -11.225 -22.217 1.00 54.44 H new ATOM 0 HD13 LEU A 41 2.242 -10.261 -23.663 1.00 54.44 H new ATOM 0 HD21 LEU A 41 -0.163 -11.246 -25.319 1.00 12.44 H new ATOM 0 HD22 LEU A 41 1.495 -11.135 -25.957 1.00 12.44 H new ATOM 0 HD23 LEU A 41 0.613 -12.679 -26.033 1.00 12.44 H new ATOM 666 N GLU A 42 4.997 -14.617 -25.006 1.00 63.15 N ATOM 667 CA GLU A 42 6.316 -14.828 -25.591 1.00 30.10 C ATOM 668 C GLU A 42 6.286 -15.968 -26.606 1.00 34.14 C ATOM 669 O GLU A 42 7.076 -15.993 -27.549 1.00 64.13 O ATOM 670 CB GLU A 42 7.340 -15.134 -24.496 1.00 13.30 C ATOM 671 CG GLU A 42 8.397 -14.054 -24.333 1.00 21.33 C ATOM 672 CD GLU A 42 9.782 -14.528 -24.728 1.00 54.23 C ATOM 673 OE1 GLU A 42 9.971 -14.889 -25.908 1.00 44.32 O ATOM 674 OE2 GLU A 42 10.676 -14.536 -23.856 1.00 41.31 O ATOM 0 H GLU A 42 4.979 -14.638 -23.986 1.00 63.15 H new ATOM 0 HA GLU A 42 6.607 -13.913 -26.107 1.00 30.10 H new ATOM 0 HB2 GLU A 42 6.818 -15.266 -23.548 1.00 13.30 H new ATOM 0 HB3 GLU A 42 7.831 -16.080 -24.723 1.00 13.30 H new ATOM 0 HG2 GLU A 42 8.126 -13.191 -24.941 1.00 21.33 H new ATOM 0 HG3 GLU A 42 8.413 -13.721 -23.295 1.00 21.33 H new ATOM 681 N ARG A 43 5.367 -16.907 -26.405 1.00 1.55 N ATOM 682 CA ARG A 43 5.235 -18.049 -27.300 1.00 5.12 C ATOM 683 C ARG A 43 4.775 -17.604 -28.686 1.00 12.12 C ATOM 684 O ARG A 43 5.120 -18.221 -29.693 1.00 73.35 O ATOM 685 CB ARG A 43 4.245 -19.064 -26.725 1.00 35.24 C ATOM 686 CG ARG A 43 4.020 -20.272 -27.620 1.00 0.45 C ATOM 687 CD ARG A 43 4.304 -21.571 -26.882 1.00 43.33 C ATOM 688 NE ARG A 43 3.102 -22.120 -26.260 1.00 42.52 N ATOM 689 CZ ARG A 43 3.036 -23.342 -25.742 1.00 32.42 C ATOM 690 NH1 ARG A 43 4.096 -24.137 -25.772 1.00 31.13 N ATOM 691 NH2 ARG A 43 1.906 -23.771 -25.193 1.00 13.23 N ATOM 0 H ARG A 43 4.703 -16.899 -25.630 1.00 1.55 H new ATOM 0 HA ARG A 43 6.214 -18.519 -27.394 1.00 5.12 H new ATOM 0 HB2 ARG A 43 4.609 -19.404 -25.755 1.00 35.24 H new ATOM 0 HB3 ARG A 43 3.290 -18.568 -26.551 1.00 35.24 H new ATOM 0 HG2 ARG A 43 2.991 -20.274 -27.979 1.00 0.45 H new ATOM 0 HG3 ARG A 43 4.664 -20.202 -28.497 1.00 0.45 H new ATOM 0 HD2 ARG A 43 4.718 -22.301 -27.578 1.00 43.33 H new ATOM 0 HD3 ARG A 43 5.060 -21.396 -26.117 1.00 43.33 H new ATOM 0 HE ARG A 43 2.268 -21.534 -26.221 1.00 42.52 H new ATOM 0 HH11 ARG A 43 4.966 -23.811 -26.194 1.00 31.13 H new ATOM 0 HH12 ARG A 43 4.042 -25.074 -25.373 1.00 31.13 H new ATOM 0 HH21 ARG A 43 1.088 -23.163 -25.169 1.00 13.23 H new ATOM 0 HH22 ARG A 43 1.856 -24.709 -24.796 1.00 13.23 H new ATOM 705 N PHE A 44 3.995 -16.529 -28.726 1.00 71.15 N ATOM 706 CA PHE A 44 3.487 -16.002 -29.987 1.00 73.51 C ATOM 707 C PHE A 44 4.372 -14.869 -30.500 1.00 31.35 C ATOM 708 O PHE A 44 3.909 -13.978 -31.212 1.00 50.41 O ATOM 709 CB PHE A 44 2.051 -15.503 -29.814 1.00 21.32 C ATOM 710 CG PHE A 44 1.133 -16.521 -29.202 1.00 24.30 C ATOM 711 CD1 PHE A 44 1.073 -17.811 -29.704 1.00 43.44 C ATOM 712 CD2 PHE A 44 0.328 -16.189 -28.123 1.00 51.15 C ATOM 713 CE1 PHE A 44 0.230 -18.752 -29.143 1.00 14.34 C ATOM 714 CE2 PHE A 44 -0.517 -17.126 -27.558 1.00 15.23 C ATOM 715 CZ PHE A 44 -0.567 -18.408 -28.069 1.00 32.44 C ATOM 0 H PHE A 44 3.701 -16.006 -27.901 1.00 71.15 H new ATOM 0 HA PHE A 44 3.499 -16.809 -30.720 1.00 73.51 H new ATOM 0 HB2 PHE A 44 2.058 -14.610 -29.189 1.00 21.32 H new ATOM 0 HB3 PHE A 44 1.657 -15.209 -30.787 1.00 21.32 H new ATOM 0 HD1 PHE A 44 1.693 -18.085 -30.545 1.00 43.44 H new ATOM 0 HD2 PHE A 44 0.361 -15.188 -27.720 1.00 51.15 H new ATOM 0 HE1 PHE A 44 0.195 -19.754 -29.544 1.00 14.34 H new ATOM 0 HE2 PHE A 44 -1.138 -16.855 -26.717 1.00 15.23 H new ATOM 0 HZ PHE A 44 -1.228 -19.140 -27.630 1.00 32.44 H new ATOM 725 N ALA A 45 5.648 -14.910 -30.130 1.00 13.12 N ATOM 726 CA ALA A 45 6.598 -13.888 -30.552 1.00 5.53 C ATOM 727 C ALA A 45 6.224 -12.523 -29.985 1.00 54.33 C ATOM 728 O ALA A 45 6.597 -11.487 -30.538 1.00 62.21 O ATOM 729 CB ALA A 45 6.672 -13.830 -32.070 1.00 64.21 C ATOM 0 H ALA A 45 6.047 -15.639 -29.539 1.00 13.12 H new ATOM 0 HA ALA A 45 7.580 -14.157 -30.162 1.00 5.53 H new ATOM 0 HB1 ALA A 45 7.385 -13.062 -32.370 1.00 64.21 H new ATOM 0 HB2 ALA A 45 6.995 -14.797 -32.456 1.00 64.21 H new ATOM 0 HB3 ALA A 45 5.688 -13.589 -32.473 1.00 64.21 H new ATOM 735 N VAL A 46 5.486 -12.527 -28.880 1.00 73.31 N ATOM 736 CA VAL A 46 5.062 -11.288 -28.239 1.00 31.51 C ATOM 737 C VAL A 46 5.622 -11.181 -26.825 1.00 61.35 C ATOM 738 O VAL A 46 5.276 -11.972 -25.948 1.00 52.23 O ATOM 739 CB VAL A 46 3.526 -11.184 -28.180 1.00 70.05 C ATOM 740 CG1 VAL A 46 3.104 -9.904 -27.474 1.00 63.13 C ATOM 741 CG2 VAL A 46 2.934 -11.251 -29.579 1.00 61.21 C ATOM 0 H VAL A 46 5.169 -13.375 -28.410 1.00 73.31 H new ATOM 0 HA VAL A 46 5.452 -10.469 -28.844 1.00 31.51 H new ATOM 0 HB VAL A 46 3.144 -12.029 -27.608 1.00 70.05 H new ATOM 0 HG11 VAL A 46 2.016 -9.848 -27.442 1.00 63.13 H new ATOM 0 HG12 VAL A 46 3.498 -9.902 -26.458 1.00 63.13 H new ATOM 0 HG13 VAL A 46 3.496 -9.043 -28.016 1.00 63.13 H new ATOM 0 HG21 VAL A 46 1.848 -11.176 -29.519 1.00 61.21 H new ATOM 0 HG22 VAL A 46 3.322 -10.427 -30.178 1.00 61.21 H new ATOM 0 HG23 VAL A 46 3.207 -12.198 -30.045 1.00 61.21 H new ATOM 751 N ASN A 47 6.489 -10.197 -26.611 1.00 63.14 N ATOM 752 CA ASN A 47 7.098 -9.986 -25.303 1.00 51.21 C ATOM 753 C ASN A 47 6.034 -9.708 -24.246 1.00 33.40 C ATOM 754 O ASN A 47 5.026 -9.050 -24.503 1.00 25.51 O ATOM 755 CB ASN A 47 8.091 -8.823 -25.361 1.00 64.43 C ATOM 756 CG ASN A 47 9.469 -9.214 -24.862 1.00 70.02 C ATOM 757 OD1 ASN A 47 9.885 -8.813 -23.775 1.00 63.52 O ATOM 758 ND2 ASN A 47 10.184 -10.001 -25.658 1.00 54.32 N ATOM 0 H ASN A 47 6.786 -9.533 -27.326 1.00 63.14 H new ATOM 0 HA ASN A 47 7.630 -10.896 -25.027 1.00 51.21 H new ATOM 0 HB2 ASN A 47 8.167 -8.465 -26.388 1.00 64.43 H new ATOM 0 HB3 ASN A 47 7.712 -7.995 -24.762 1.00 64.43 H new ATOM 0 HD21 ASN A 47 11.119 -10.297 -25.377 1.00 54.32 H new ATOM 0 HD22 ASN A 47 9.798 -10.309 -26.551 1.00 54.32 H new ATOM 765 N PRO A 48 6.262 -10.219 -23.027 1.00 64.12 N ATOM 766 CA PRO A 48 5.335 -10.039 -21.906 1.00 0.00 C ATOM 767 C PRO A 48 5.307 -8.599 -21.404 1.00 2.10 C ATOM 768 O PRO A 48 4.389 -8.199 -20.688 1.00 42.52 O ATOM 769 CB PRO A 48 5.896 -10.970 -20.829 1.00 23.22 C ATOM 770 CG PRO A 48 7.345 -11.095 -21.152 1.00 34.45 C ATOM 771 CD PRO A 48 7.443 -11.014 -22.650 1.00 0.42 C ATOM 0 HA PRO A 48 4.306 -10.262 -22.187 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.747 -10.556 -19.832 1.00 23.22 H new ATOM 0 HB3 PRO A 48 5.401 -11.941 -20.848 1.00 23.22 H new ATOM 0 HG2 PRO A 48 7.920 -10.299 -20.680 1.00 34.45 H new ATOM 0 HG3 PRO A 48 7.747 -12.039 -20.785 1.00 34.45 H new ATOM 0 HD2 PRO A 48 8.369 -10.533 -22.967 1.00 0.42 H new ATOM 0 HD3 PRO A 48 7.424 -12.003 -23.108 1.00 0.42 H new ATOM 779 N GLY A 49 6.318 -7.825 -21.784 1.00 41.23 N ATOM 780 CA GLY A 49 6.389 -6.438 -21.363 1.00 11.53 C ATOM 781 C GLY A 49 5.234 -5.611 -21.891 1.00 41.22 C ATOM 782 O GLY A 49 4.849 -4.611 -21.285 1.00 75.33 O ATOM 0 H GLY A 49 7.089 -8.133 -22.376 1.00 41.23 H new ATOM 0 HA2 GLY A 49 6.396 -6.392 -20.274 1.00 11.53 H new ATOM 0 HA3 GLY A 49 7.328 -6.005 -21.707 1.00 11.53 H new ATOM 786 N LEU A 50 4.679 -6.029 -23.023 1.00 43.03 N ATOM 787 CA LEU A 50 3.561 -5.319 -23.635 1.00 64.33 C ATOM 788 C LEU A 50 2.397 -5.192 -22.658 1.00 32.14 C ATOM 789 O LEU A 50 1.587 -4.270 -22.758 1.00 21.45 O ATOM 790 CB LEU A 50 3.103 -6.044 -24.901 1.00 24.35 C ATOM 791 CG LEU A 50 4.110 -6.094 -26.049 1.00 50.30 C ATOM 792 CD1 LEU A 50 3.487 -6.734 -27.280 1.00 73.01 C ATOM 793 CD2 LEU A 50 4.621 -4.697 -26.372 1.00 71.41 C ATOM 0 H LEU A 50 4.985 -6.856 -23.536 1.00 43.03 H new ATOM 0 HA LEU A 50 3.899 -4.317 -23.900 1.00 64.33 H new ATOM 0 HB2 LEU A 50 2.837 -7.067 -24.633 1.00 24.35 H new ATOM 0 HB3 LEU A 50 2.194 -5.562 -25.262 1.00 24.35 H new ATOM 0 HG LEU A 50 4.956 -6.706 -25.737 1.00 50.30 H new ATOM 0 HD11 LEU A 50 4.220 -6.760 -28.087 1.00 73.01 H new ATOM 0 HD12 LEU A 50 3.172 -7.750 -27.042 1.00 73.01 H new ATOM 0 HD13 LEU A 50 2.622 -6.151 -27.595 1.00 73.01 H new ATOM 0 HD21 LEU A 50 5.337 -4.752 -27.192 1.00 71.41 H new ATOM 0 HD22 LEU A 50 3.784 -4.062 -26.663 1.00 71.41 H new ATOM 0 HD23 LEU A 50 5.108 -4.275 -25.493 1.00 71.41 H new ATOM 805 N LEU A 51 2.322 -6.122 -21.712 1.00 33.24 N ATOM 806 CA LEU A 51 1.258 -6.113 -20.714 1.00 21.13 C ATOM 807 C LEU A 51 1.542 -5.084 -19.624 1.00 22.04 C ATOM 808 O LEU A 51 0.622 -4.569 -18.989 1.00 74.42 O ATOM 809 CB LEU A 51 1.103 -7.502 -20.092 1.00 2.32 C ATOM 810 CG LEU A 51 0.744 -8.633 -21.056 1.00 3.34 C ATOM 811 CD1 LEU A 51 0.583 -9.945 -20.303 1.00 70.15 C ATOM 812 CD2 LEU A 51 -0.527 -8.296 -21.823 1.00 5.35 C ATOM 0 H LEU A 51 2.985 -6.891 -21.615 1.00 33.24 H new ATOM 0 HA LEU A 51 0.328 -5.839 -21.213 1.00 21.13 H new ATOM 0 HB2 LEU A 51 2.036 -7.760 -19.592 1.00 2.32 H new ATOM 0 HB3 LEU A 51 0.333 -7.450 -19.322 1.00 2.32 H new ATOM 0 HG LEU A 51 1.558 -8.747 -21.772 1.00 3.34 H new ATOM 0 HD11 LEU A 51 0.328 -10.739 -21.005 1.00 70.15 H new ATOM 0 HD12 LEU A 51 1.518 -10.193 -19.800 1.00 70.15 H new ATOM 0 HD13 LEU A 51 -0.212 -9.845 -19.564 1.00 70.15 H new ATOM 0 HD21 LEU A 51 -0.768 -9.112 -22.505 1.00 5.35 H new ATOM 0 HD22 LEU A 51 -1.349 -8.155 -21.121 1.00 5.35 H new ATOM 0 HD23 LEU A 51 -0.376 -7.380 -22.393 1.00 5.35 H new ATOM 824 N GLU A 52 2.820 -4.789 -19.414 1.00 53.54 N ATOM 825 CA GLU A 52 3.224 -3.820 -18.403 1.00 0.41 C ATOM 826 C GLU A 52 2.966 -2.394 -18.880 1.00 71.45 C ATOM 827 O GLU A 52 3.130 -1.434 -18.126 1.00 64.34 O ATOM 828 CB GLU A 52 4.706 -3.995 -18.060 1.00 51.13 C ATOM 829 CG GLU A 52 5.169 -3.128 -16.901 1.00 53.04 C ATOM 830 CD GLU A 52 6.432 -3.654 -16.248 1.00 12.51 C ATOM 831 OE1 GLU A 52 6.576 -4.889 -16.141 1.00 21.43 O ATOM 832 OE2 GLU A 52 7.278 -2.829 -15.845 1.00 14.24 O ATOM 0 H GLU A 52 3.594 -5.207 -19.931 1.00 53.54 H new ATOM 0 HA GLU A 52 2.627 -3.998 -17.508 1.00 0.41 H new ATOM 0 HB2 GLU A 52 4.893 -5.041 -17.818 1.00 51.13 H new ATOM 0 HB3 GLU A 52 5.304 -3.760 -18.940 1.00 51.13 H new ATOM 0 HG2 GLU A 52 5.345 -2.113 -17.259 1.00 53.04 H new ATOM 0 HG3 GLU A 52 4.376 -3.070 -16.156 1.00 53.04 H new ATOM 839 N THR A 53 2.562 -2.262 -20.140 1.00 63.31 N ATOM 840 CA THR A 53 2.282 -0.956 -20.720 1.00 32.21 C ATOM 841 C THR A 53 0.882 -0.910 -21.322 1.00 71.24 C ATOM 842 O THR A 53 0.501 -1.786 -22.098 1.00 61.35 O ATOM 843 CB THR A 53 3.309 -0.592 -21.809 1.00 0.52 C ATOM 844 OG1 THR A 53 3.072 -1.372 -22.987 1.00 35.25 O ATOM 845 CG2 THR A 53 4.728 -0.830 -21.314 1.00 43.34 C ATOM 0 H THR A 53 2.422 -3.045 -20.778 1.00 63.31 H new ATOM 0 HA THR A 53 2.350 -0.230 -19.910 1.00 32.21 H new ATOM 0 HB THR A 53 3.196 0.466 -22.046 1.00 0.52 H new ATOM 0 HG1 THR A 53 2.486 -2.126 -22.768 1.00 35.25 H new ATOM 0 HG21 THR A 53 5.436 -0.566 -22.099 1.00 43.34 H new ATOM 0 HG22 THR A 53 4.915 -0.213 -20.435 1.00 43.34 H new ATOM 0 HG23 THR A 53 4.851 -1.881 -21.053 1.00 43.34 H new ATOM 853 N SER A 54 0.120 0.118 -20.961 1.00 72.05 N ATOM 854 CA SER A 54 -1.239 0.276 -21.464 1.00 12.01 C ATOM 855 C SER A 54 -1.257 0.274 -22.990 1.00 41.12 C ATOM 856 O SER A 54 -2.259 -0.085 -23.608 1.00 54.31 O ATOM 857 CB SER A 54 -1.852 1.575 -20.938 1.00 12.04 C ATOM 858 OG SER A 54 -1.658 2.639 -21.854 1.00 13.25 O ATOM 0 H SER A 54 0.421 0.854 -20.322 1.00 72.05 H new ATOM 0 HA SER A 54 -1.832 -0.567 -21.109 1.00 12.01 H new ATOM 0 HB2 SER A 54 -2.918 1.432 -20.762 1.00 12.04 H new ATOM 0 HB3 SER A 54 -1.402 1.831 -19.979 1.00 12.04 H new ATOM 0 HG SER A 54 -2.060 3.457 -21.495 1.00 13.25 H new ATOM 864 N GLU A 55 -0.141 0.677 -23.589 1.00 71.22 N ATOM 865 CA GLU A 55 -0.030 0.722 -25.042 1.00 55.03 C ATOM 866 C GLU A 55 0.154 -0.679 -25.618 1.00 12.21 C ATOM 867 O GLU A 55 -0.486 -1.048 -26.601 1.00 71.12 O ATOM 868 CB GLU A 55 1.142 1.614 -25.459 1.00 51.11 C ATOM 869 CG GLU A 55 0.970 2.245 -26.830 1.00 34.30 C ATOM 870 CD GLU A 55 0.717 3.739 -26.757 1.00 4.42 C ATOM 871 OE1 GLU A 55 -0.109 4.159 -25.921 1.00 74.21 O ATOM 872 OE2 GLU A 55 1.345 4.486 -27.536 1.00 43.10 O ATOM 0 H GLU A 55 0.698 0.976 -23.092 1.00 71.22 H new ATOM 0 HA GLU A 55 -0.955 1.140 -25.438 1.00 55.03 H new ATOM 0 HB2 GLU A 55 1.268 2.404 -24.718 1.00 51.11 H new ATOM 0 HB3 GLU A 55 2.058 1.023 -25.453 1.00 51.11 H new ATOM 0 HG2 GLU A 55 1.864 2.060 -27.426 1.00 34.30 H new ATOM 0 HG3 GLU A 55 0.139 1.764 -27.345 1.00 34.30 H new ATOM 879 N GLY A 56 1.036 -1.457 -24.996 1.00 54.35 N ATOM 880 CA GLY A 56 1.290 -2.808 -25.460 1.00 65.24 C ATOM 881 C GLY A 56 0.050 -3.679 -25.415 1.00 42.13 C ATOM 882 O GLY A 56 -0.237 -4.410 -26.363 1.00 25.12 O ATOM 0 H GLY A 56 1.578 -1.175 -24.180 1.00 54.35 H new ATOM 0 HA2 GLY A 56 1.669 -2.773 -26.481 1.00 65.24 H new ATOM 0 HA3 GLY A 56 2.070 -3.259 -24.846 1.00 65.24 H new ATOM 886 N CYS A 57 -0.684 -3.604 -24.311 1.00 74.02 N ATOM 887 CA CYS A 57 -1.899 -4.394 -24.145 1.00 75.30 C ATOM 888 C CYS A 57 -2.845 -4.190 -25.324 1.00 22.21 C ATOM 889 O CYS A 57 -3.379 -5.151 -25.877 1.00 23.14 O ATOM 890 CB CYS A 57 -2.603 -4.016 -22.840 1.00 41.30 C ATOM 891 SG CYS A 57 -2.375 -5.216 -21.506 1.00 30.42 S ATOM 0 H CYS A 57 -0.459 -3.004 -23.517 1.00 74.02 H new ATOM 0 HA CYS A 57 -1.617 -5.446 -24.106 1.00 75.30 H new ATOM 0 HB2 CYS A 57 -2.234 -3.045 -22.508 1.00 41.30 H new ATOM 0 HB3 CYS A 57 -3.670 -3.903 -23.034 1.00 41.30 H new ATOM 0 HG CYS A 57 -3.004 -4.809 -20.444 1.00 30.42 H new ATOM 897 N ARG A 58 -3.049 -2.933 -25.702 1.00 52.22 N ATOM 898 CA ARG A 58 -3.934 -2.603 -26.814 1.00 43.44 C ATOM 899 C ARG A 58 -3.496 -3.322 -28.088 1.00 74.20 C ATOM 900 O ARG A 58 -4.316 -3.915 -28.789 1.00 13.53 O ATOM 901 CB ARG A 58 -3.951 -1.092 -27.049 1.00 71.00 C ATOM 902 CG ARG A 58 -5.137 -0.617 -27.872 1.00 30.24 C ATOM 903 CD ARG A 58 -4.859 0.727 -28.526 1.00 12.43 C ATOM 904 NE ARG A 58 -4.962 0.660 -29.981 1.00 54.11 N ATOM 905 CZ ARG A 58 -4.624 1.659 -30.789 1.00 13.23 C ATOM 906 NH1 ARG A 58 -4.164 2.797 -30.284 1.00 44.04 N ATOM 907 NH2 ARG A 58 -4.746 1.523 -32.103 1.00 10.21 N ATOM 0 H ARG A 58 -2.614 -2.126 -25.255 1.00 52.22 H new ATOM 0 HA ARG A 58 -4.940 -2.935 -26.557 1.00 43.44 H new ATOM 0 HB2 ARG A 58 -3.961 -0.583 -26.085 1.00 71.00 H new ATOM 0 HB3 ARG A 58 -3.030 -0.801 -27.553 1.00 71.00 H new ATOM 0 HG2 ARG A 58 -5.368 -1.356 -28.640 1.00 30.24 H new ATOM 0 HG3 ARG A 58 -6.016 -0.537 -27.233 1.00 30.24 H new ATOM 0 HD2 ARG A 58 -5.563 1.467 -28.147 1.00 12.43 H new ATOM 0 HD3 ARG A 58 -3.861 1.065 -28.249 1.00 12.43 H new ATOM 0 HE ARG A 58 -5.313 -0.201 -30.400 1.00 54.11 H new ATOM 0 HH11 ARG A 58 -4.070 2.906 -29.274 1.00 44.04 H new ATOM 0 HH12 ARG A 58 -3.905 3.563 -30.906 1.00 44.04 H new ATOM 0 HH21 ARG A 58 -5.100 0.650 -32.495 1.00 10.21 H new ATOM 0 HH22 ARG A 58 -4.486 2.291 -32.722 1.00 10.21 H new ATOM 921 N GLN A 59 -2.201 -3.261 -28.380 1.00 40.21 N ATOM 922 CA GLN A 59 -1.656 -3.905 -29.569 1.00 51.41 C ATOM 923 C GLN A 59 -1.934 -5.404 -29.554 1.00 34.44 C ATOM 924 O GLN A 59 -2.088 -6.028 -30.604 1.00 1.55 O ATOM 925 CB GLN A 59 -0.150 -3.655 -29.665 1.00 53.15 C ATOM 926 CG GLN A 59 0.216 -2.185 -29.798 1.00 65.21 C ATOM 927 CD GLN A 59 0.345 -1.744 -31.242 1.00 73.31 C ATOM 928 OE1 GLN A 59 -0.454 -0.945 -31.733 1.00 55.20 O ATOM 929 NE2 GLN A 59 1.353 -2.262 -31.933 1.00 1.02 N ATOM 0 H GLN A 59 -1.510 -2.773 -27.810 1.00 40.21 H new ATOM 0 HA GLN A 59 -2.146 -3.473 -30.441 1.00 51.41 H new ATOM 0 HB2 GLN A 59 0.335 -4.063 -28.778 1.00 53.15 H new ATOM 0 HB3 GLN A 59 0.246 -4.198 -30.523 1.00 53.15 H new ATOM 0 HG2 GLN A 59 -0.544 -1.579 -29.304 1.00 65.21 H new ATOM 0 HG3 GLN A 59 1.157 -2.001 -29.280 1.00 65.21 H new ATOM 0 HE21 GLN A 59 1.992 -2.921 -31.487 1.00 1.02 H new ATOM 0 HE22 GLN A 59 1.489 -2.001 -32.910 1.00 1.02 H new ATOM 938 N ILE A 60 -1.999 -5.976 -28.355 1.00 50.14 N ATOM 939 CA ILE A 60 -2.259 -7.402 -28.204 1.00 35.33 C ATOM 940 C ILE A 60 -3.732 -7.720 -28.440 1.00 12.12 C ATOM 941 O ILE A 60 -4.068 -8.611 -29.221 1.00 31.15 O ATOM 942 CB ILE A 60 -1.856 -7.902 -26.804 1.00 14.24 C ATOM 943 CG1 ILE A 60 -0.374 -7.626 -26.548 1.00 2.52 C ATOM 944 CG2 ILE A 60 -2.156 -9.387 -26.664 1.00 72.55 C ATOM 945 CD1 ILE A 60 0.008 -7.683 -25.085 1.00 32.34 C ATOM 0 H ILE A 60 -1.875 -5.474 -27.476 1.00 50.14 H new ATOM 0 HA ILE A 60 -1.654 -7.914 -28.952 1.00 35.33 H new ATOM 0 HB ILE A 60 -2.441 -7.362 -26.059 1.00 14.24 H new ATOM 0 HG12 ILE A 60 0.223 -8.352 -27.100 1.00 2.52 H new ATOM 0 HG13 ILE A 60 -0.123 -6.641 -26.943 1.00 2.52 H new ATOM 0 HG21 ILE A 60 -1.865 -9.725 -25.669 1.00 72.55 H new ATOM 0 HG22 ILE A 60 -3.223 -9.558 -26.808 1.00 72.55 H new ATOM 0 HG23 ILE A 60 -1.595 -9.944 -27.414 1.00 72.55 H new ATOM 0 HD11 ILE A 60 1.073 -7.478 -24.979 1.00 32.34 H new ATOM 0 HD12 ILE A 60 -0.562 -6.938 -24.531 1.00 32.34 H new ATOM 0 HD13 ILE A 60 -0.211 -8.675 -24.690 1.00 32.34 H new ATOM 957 N LEU A 61 -4.606 -6.984 -27.762 1.00 73.11 N ATOM 958 CA LEU A 61 -6.045 -7.185 -27.899 1.00 44.34 C ATOM 959 C LEU A 61 -6.485 -6.999 -29.348 1.00 63.14 C ATOM 960 O LEU A 61 -7.478 -7.578 -29.785 1.00 65.51 O ATOM 961 CB LEU A 61 -6.804 -6.214 -26.995 1.00 22.12 C ATOM 962 CG LEU A 61 -6.575 -6.378 -25.492 1.00 35.05 C ATOM 963 CD1 LEU A 61 -7.072 -5.153 -24.740 1.00 0.33 C ATOM 964 CD2 LEU A 61 -7.265 -7.635 -24.981 1.00 51.55 C ATOM 0 H LEU A 61 -4.344 -6.243 -27.112 1.00 73.11 H new ATOM 0 HA LEU A 61 -6.275 -8.207 -27.597 1.00 44.34 H new ATOM 0 HB2 LEU A 61 -6.529 -5.197 -27.275 1.00 22.12 H new ATOM 0 HB3 LEU A 61 -7.870 -6.322 -27.194 1.00 22.12 H new ATOM 0 HG LEU A 61 -5.504 -6.478 -25.316 1.00 35.05 H new ATOM 0 HD11 LEU A 61 -6.901 -5.288 -23.672 1.00 0.33 H new ATOM 0 HD12 LEU A 61 -6.533 -4.271 -25.086 1.00 0.33 H new ATOM 0 HD13 LEU A 61 -8.139 -5.022 -24.923 1.00 0.33 H new ATOM 0 HD21 LEU A 61 -7.091 -7.735 -23.910 1.00 51.55 H new ATOM 0 HD22 LEU A 61 -8.336 -7.564 -25.170 1.00 51.55 H new ATOM 0 HD23 LEU A 61 -6.862 -8.507 -25.497 1.00 51.55 H new ATOM 976 N GLY A 62 -5.736 -6.188 -30.089 1.00 63.31 N ATOM 977 CA GLY A 62 -6.064 -5.941 -31.481 1.00 20.21 C ATOM 978 C GLY A 62 -5.918 -7.182 -32.339 1.00 52.35 C ATOM 979 O GLY A 62 -6.733 -7.429 -33.228 1.00 21.13 O ATOM 0 H GLY A 62 -4.908 -5.698 -29.750 1.00 63.31 H new ATOM 0 HA2 GLY A 62 -7.088 -5.573 -31.550 1.00 20.21 H new ATOM 0 HA3 GLY A 62 -5.416 -5.156 -31.870 1.00 20.21 H new ATOM 983 N GLN A 63 -4.875 -7.963 -32.075 1.00 71.44 N ATOM 984 CA GLN A 63 -4.624 -9.183 -32.834 1.00 10.11 C ATOM 985 C GLN A 63 -5.528 -10.315 -32.357 1.00 71.21 C ATOM 986 O GLN A 63 -5.908 -11.190 -33.137 1.00 4.21 O ATOM 987 CB GLN A 63 -3.157 -9.597 -32.703 1.00 71.22 C ATOM 988 CG GLN A 63 -2.306 -9.209 -33.901 1.00 33.40 C ATOM 989 CD GLN A 63 -0.895 -9.754 -33.816 1.00 42.12 C ATOM 990 OE1 GLN A 63 0.028 -9.058 -33.393 1.00 32.10 O ATOM 991 NE2 GLN A 63 -0.718 -11.007 -34.219 1.00 23.30 N ATOM 0 H GLN A 63 -4.191 -7.773 -31.342 1.00 71.44 H new ATOM 0 HA GLN A 63 -4.845 -8.982 -33.882 1.00 10.11 H new ATOM 0 HB2 GLN A 63 -2.738 -9.140 -31.807 1.00 71.22 H new ATOM 0 HB3 GLN A 63 -3.104 -10.677 -32.565 1.00 71.22 H new ATOM 0 HG2 GLN A 63 -2.779 -9.576 -34.812 1.00 33.40 H new ATOM 0 HG3 GLN A 63 -2.268 -8.122 -33.978 1.00 33.40 H new ATOM 0 HE21 GLN A 63 -1.511 -11.549 -34.563 1.00 23.30 H new ATOM 0 HE22 GLN A 63 0.211 -11.427 -34.185 1.00 23.30 H new ATOM 1000 N LEU A 64 -5.870 -10.292 -31.074 1.00 1.30 N ATOM 1001 CA LEU A 64 -6.731 -11.317 -30.493 1.00 62.05 C ATOM 1002 C LEU A 64 -8.196 -11.050 -30.822 1.00 54.53 C ATOM 1003 O LEU A 64 -9.010 -11.971 -30.864 1.00 34.50 O ATOM 1004 CB LEU A 64 -6.538 -11.373 -28.977 1.00 32.22 C ATOM 1005 CG LEU A 64 -5.133 -11.727 -28.491 1.00 3.05 C ATOM 1006 CD1 LEU A 64 -5.101 -11.824 -26.973 1.00 33.50 C ATOM 1007 CD2 LEU A 64 -4.663 -13.030 -29.120 1.00 61.43 C ATOM 0 H LEU A 64 -5.565 -9.575 -30.416 1.00 1.30 H new ATOM 0 HA LEU A 64 -6.452 -12.278 -30.924 1.00 62.05 H new ATOM 0 HB2 LEU A 64 -6.811 -10.404 -28.560 1.00 32.22 H new ATOM 0 HB3 LEU A 64 -7.236 -12.104 -28.569 1.00 32.22 H new ATOM 0 HG LEU A 64 -4.453 -10.932 -28.798 1.00 3.05 H new ATOM 0 HD11 LEU A 64 -4.092 -12.077 -26.646 1.00 33.50 H new ATOM 0 HD12 LEU A 64 -5.393 -10.867 -26.541 1.00 33.50 H new ATOM 0 HD13 LEU A 64 -5.794 -12.598 -26.643 1.00 33.50 H new ATOM 0 HD21 LEU A 64 -3.661 -13.266 -28.762 1.00 61.43 H new ATOM 0 HD22 LEU A 64 -5.345 -13.834 -28.844 1.00 61.43 H new ATOM 0 HD23 LEU A 64 -4.646 -12.925 -30.205 1.00 61.43 H new ATOM 1019 N GLN A 65 -8.521 -9.782 -31.057 1.00 24.31 N ATOM 1020 CA GLN A 65 -9.889 -9.394 -31.385 1.00 11.45 C ATOM 1021 C GLN A 65 -10.431 -10.232 -32.537 1.00 70.42 C ATOM 1022 O GLN A 65 -11.413 -10.963 -32.397 1.00 74.12 O ATOM 1023 CB GLN A 65 -9.946 -7.909 -31.746 1.00 34.33 C ATOM 1024 CG GLN A 65 -10.455 -7.027 -30.617 1.00 63.04 C ATOM 1025 CD GLN A 65 -10.617 -5.579 -31.036 1.00 53.34 C ATOM 1026 OE1 GLN A 65 -11.663 -5.181 -31.548 1.00 30.02 O ATOM 1027 NE2 GLN A 65 -9.578 -4.780 -30.819 1.00 45.31 N ATOM 0 H GLN A 65 -7.858 -9.008 -31.027 1.00 24.31 H new ATOM 0 HA GLN A 65 -10.512 -9.572 -30.508 1.00 11.45 H new ATOM 0 HB2 GLN A 65 -8.949 -7.576 -32.035 1.00 34.33 H new ATOM 0 HB3 GLN A 65 -10.590 -7.780 -32.616 1.00 34.33 H new ATOM 0 HG2 GLN A 65 -11.414 -7.409 -30.266 1.00 63.04 H new ATOM 0 HG3 GLN A 65 -9.763 -7.083 -29.777 1.00 63.04 H new ATOM 0 HE21 GLN A 65 -8.729 -5.151 -30.392 1.00 45.31 H new ATOM 0 HE22 GLN A 65 -9.629 -3.795 -31.080 1.00 45.31 H new ATOM 1036 N PRO A 66 -9.779 -10.126 -33.705 1.00 24.23 N ATOM 1037 CA PRO A 66 -10.179 -10.868 -34.904 1.00 74.31 C ATOM 1038 C PRO A 66 -9.911 -12.363 -34.778 1.00 42.11 C ATOM 1039 O PRO A 66 -10.480 -13.170 -35.514 1.00 40.51 O ATOM 1040 CB PRO A 66 -9.306 -10.259 -36.005 1.00 21.50 C ATOM 1041 CG PRO A 66 -8.112 -9.728 -35.291 1.00 2.53 C ATOM 1042 CD PRO A 66 -8.602 -9.275 -33.943 1.00 2.03 C ATOM 0 HA PRO A 66 -11.249 -10.787 -35.095 1.00 74.31 H new ATOM 0 HB2 PRO A 66 -9.024 -11.007 -36.746 1.00 21.50 H new ATOM 0 HB3 PRO A 66 -9.834 -9.467 -36.536 1.00 21.50 H new ATOM 0 HG2 PRO A 66 -7.345 -10.496 -35.189 1.00 2.53 H new ATOM 0 HG3 PRO A 66 -7.664 -8.901 -35.842 1.00 2.53 H new ATOM 0 HD2 PRO A 66 -7.844 -9.413 -33.172 1.00 2.03 H new ATOM 0 HD3 PRO A 66 -8.865 -8.217 -33.945 1.00 2.03 H new ATOM 1050 N SER A 67 -9.042 -12.726 -33.841 1.00 2.40 N ATOM 1051 CA SER A 67 -8.695 -14.126 -33.620 1.00 51.24 C ATOM 1052 C SER A 67 -9.762 -14.824 -32.784 1.00 31.44 C ATOM 1053 O SER A 67 -9.948 -16.039 -32.880 1.00 34.20 O ATOM 1054 CB SER A 67 -7.336 -14.234 -32.927 1.00 51.33 C ATOM 1055 OG SER A 67 -6.305 -13.696 -33.739 1.00 21.21 O ATOM 0 H SER A 67 -8.565 -12.071 -33.222 1.00 2.40 H new ATOM 0 HA SER A 67 -8.639 -14.618 -34.591 1.00 51.24 H new ATOM 0 HB2 SER A 67 -7.367 -13.705 -31.975 1.00 51.33 H new ATOM 0 HB3 SER A 67 -7.120 -15.279 -32.704 1.00 51.33 H new ATOM 0 HG SER A 67 -6.087 -12.791 -33.434 1.00 21.21 H new ATOM 1061 N LEU A 68 -10.462 -14.049 -31.962 1.00 51.20 N ATOM 1062 CA LEU A 68 -11.512 -14.591 -31.106 1.00 63.01 C ATOM 1063 C LEU A 68 -12.511 -15.406 -31.921 1.00 73.30 C ATOM 1064 O LEU A 68 -13.116 -16.351 -31.415 1.00 52.30 O ATOM 1065 CB LEU A 68 -12.234 -13.460 -30.374 1.00 22.14 C ATOM 1066 CG LEU A 68 -11.504 -12.867 -29.168 1.00 52.02 C ATOM 1067 CD1 LEU A 68 -11.780 -11.375 -29.058 1.00 61.25 C ATOM 1068 CD2 LEU A 68 -11.914 -13.583 -27.890 1.00 52.44 C ATOM 0 H LEU A 68 -10.321 -13.043 -31.870 1.00 51.20 H new ATOM 0 HA LEU A 68 -11.047 -15.250 -30.373 1.00 63.01 H new ATOM 0 HB2 LEU A 68 -12.427 -12.658 -31.087 1.00 22.14 H new ATOM 0 HB3 LEU A 68 -13.203 -13.831 -30.040 1.00 22.14 H new ATOM 0 HG LEU A 68 -10.433 -13.008 -29.311 1.00 52.02 H new ATOM 0 HD11 LEU A 68 -11.253 -10.970 -28.194 1.00 61.25 H new ATOM 0 HD12 LEU A 68 -11.435 -10.873 -29.962 1.00 61.25 H new ATOM 0 HD13 LEU A 68 -12.851 -11.211 -28.939 1.00 61.25 H new ATOM 0 HD21 LEU A 68 -11.384 -13.147 -27.043 1.00 52.44 H new ATOM 0 HD22 LEU A 68 -12.988 -13.475 -27.741 1.00 52.44 H new ATOM 0 HD23 LEU A 68 -11.664 -14.641 -27.969 1.00 52.44 H new ATOM 1080 N GLN A 69 -12.679 -15.033 -33.187 1.00 12.14 N ATOM 1081 CA GLN A 69 -13.605 -15.730 -34.071 1.00 14.41 C ATOM 1082 C GLN A 69 -13.239 -17.206 -34.188 1.00 73.24 C ATOM 1083 O GLN A 69 -14.097 -18.081 -34.067 1.00 12.33 O ATOM 1084 CB GLN A 69 -13.606 -15.081 -35.456 1.00 22.11 C ATOM 1085 CG GLN A 69 -14.761 -15.528 -36.337 1.00 62.40 C ATOM 1086 CD GLN A 69 -15.831 -14.465 -36.482 1.00 54.31 C ATOM 1087 OE1 GLN A 69 -15.960 -13.836 -37.533 1.00 61.32 O ATOM 1088 NE2 GLN A 69 -16.607 -14.256 -35.424 1.00 2.21 N ATOM 0 H GLN A 69 -12.186 -14.253 -33.622 1.00 12.14 H new ATOM 0 HA GLN A 69 -14.604 -15.655 -33.642 1.00 14.41 H new ATOM 0 HB2 GLN A 69 -13.646 -13.998 -35.340 1.00 22.11 H new ATOM 0 HB3 GLN A 69 -12.667 -15.313 -35.957 1.00 22.11 H new ATOM 0 HG2 GLN A 69 -14.379 -15.791 -37.324 1.00 62.40 H new ATOM 0 HG3 GLN A 69 -15.205 -16.430 -35.917 1.00 62.40 H new ATOM 0 HE21 GLN A 69 -16.466 -14.800 -34.573 1.00 2.21 H new ATOM 0 HE22 GLN A 69 -17.344 -13.552 -35.463 1.00 2.21 H new ATOM 1097 N THR A 70 -11.959 -17.476 -34.426 1.00 72.12 N ATOM 1098 CA THR A 70 -11.480 -18.846 -34.562 1.00 10.40 C ATOM 1099 C THR A 70 -10.387 -19.149 -33.543 1.00 72.21 C ATOM 1100 O THR A 70 -9.388 -19.793 -33.862 1.00 74.43 O ATOM 1101 CB THR A 70 -10.934 -19.113 -35.978 1.00 33.22 C ATOM 1102 OG1 THR A 70 -10.114 -18.017 -36.401 1.00 31.41 O ATOM 1103 CG2 THR A 70 -12.071 -19.313 -36.967 1.00 75.11 C ATOM 0 H THR A 70 -11.236 -16.764 -34.528 1.00 72.12 H new ATOM 0 HA THR A 70 -12.334 -19.499 -34.381 1.00 10.40 H new ATOM 0 HB THR A 70 -10.336 -20.024 -35.948 1.00 33.22 H new ATOM 0 HG1 THR A 70 -9.769 -18.195 -37.301 1.00 31.41 H new ATOM 0 HG21 THR A 70 -11.661 -19.500 -37.960 1.00 75.11 H new ATOM 0 HG22 THR A 70 -12.676 -20.165 -36.658 1.00 75.11 H new ATOM 0 HG23 THR A 70 -12.692 -18.418 -36.994 1.00 75.11 H new ATOM 1111 N GLY A 71 -10.584 -18.682 -32.314 1.00 30.54 N ATOM 1112 CA GLY A 71 -9.607 -18.914 -31.266 1.00 65.53 C ATOM 1113 C GLY A 71 -10.075 -19.943 -30.256 1.00 12.44 C ATOM 1114 O GLY A 71 -11.272 -20.079 -30.007 1.00 63.11 O ATOM 0 H GLY A 71 -11.403 -18.147 -32.025 1.00 30.54 H new ATOM 0 HA2 GLY A 71 -8.671 -19.248 -31.713 1.00 65.53 H new ATOM 0 HA3 GLY A 71 -9.398 -17.975 -30.754 1.00 65.53 H new ATOM 1118 N SER A 72 -9.127 -20.671 -29.673 1.00 42.41 N ATOM 1119 CA SER A 72 -9.448 -21.697 -28.688 1.00 52.02 C ATOM 1120 C SER A 72 -9.262 -21.166 -27.269 1.00 54.15 C ATOM 1121 O SER A 72 -9.025 -19.975 -27.068 1.00 33.53 O ATOM 1122 CB SER A 72 -8.571 -22.931 -28.901 1.00 42.51 C ATOM 1123 OG SER A 72 -7.247 -22.701 -28.450 1.00 31.10 O ATOM 0 H SER A 72 -8.131 -20.569 -29.866 1.00 42.41 H new ATOM 0 HA SER A 72 -10.494 -21.976 -28.819 1.00 52.02 H new ATOM 0 HB2 SER A 72 -8.998 -23.780 -28.368 1.00 42.51 H new ATOM 0 HB3 SER A 72 -8.558 -23.193 -29.959 1.00 42.51 H new ATOM 0 HG SER A 72 -6.707 -23.506 -28.596 1.00 31.10 H new ATOM 1129 N GLU A 73 -9.369 -22.058 -26.291 1.00 62.11 N ATOM 1130 CA GLU A 73 -9.213 -21.680 -24.892 1.00 11.45 C ATOM 1131 C GLU A 73 -7.903 -20.928 -24.674 1.00 45.40 C ATOM 1132 O GLU A 73 -7.812 -20.057 -23.811 1.00 33.25 O ATOM 1133 CB GLU A 73 -9.257 -22.920 -23.997 1.00 11.22 C ATOM 1134 CG GLU A 73 -8.303 -24.019 -24.431 1.00 50.35 C ATOM 1135 CD GLU A 73 -8.152 -25.108 -23.388 1.00 21.51 C ATOM 1136 OE1 GLU A 73 -8.932 -25.106 -22.412 1.00 50.12 O ATOM 1137 OE2 GLU A 73 -7.257 -25.963 -23.547 1.00 25.13 O ATOM 0 H GLU A 73 -9.563 -23.048 -26.441 1.00 62.11 H new ATOM 0 HA GLU A 73 -10.039 -21.020 -24.627 1.00 11.45 H new ATOM 0 HB2 GLU A 73 -9.020 -22.628 -22.974 1.00 11.22 H new ATOM 0 HB3 GLU A 73 -10.273 -23.315 -23.988 1.00 11.22 H new ATOM 0 HG2 GLU A 73 -8.662 -24.460 -25.361 1.00 50.35 H new ATOM 0 HG3 GLU A 73 -7.326 -23.584 -24.641 1.00 50.35 H new ATOM 1144 N GLU A 74 -6.892 -21.274 -25.464 1.00 52.42 N ATOM 1145 CA GLU A 74 -5.586 -20.632 -25.357 1.00 3.11 C ATOM 1146 C GLU A 74 -5.687 -19.139 -25.650 1.00 70.54 C ATOM 1147 O GLU A 74 -5.111 -18.314 -24.940 1.00 32.11 O ATOM 1148 CB GLU A 74 -4.591 -21.287 -26.318 1.00 72.24 C ATOM 1149 CG GLU A 74 -4.438 -22.784 -26.110 1.00 52.23 C ATOM 1150 CD GLU A 74 -3.612 -23.442 -27.198 1.00 51.14 C ATOM 1151 OE1 GLU A 74 -2.541 -22.900 -27.541 1.00 4.51 O ATOM 1152 OE2 GLU A 74 -4.038 -24.500 -27.706 1.00 64.35 O ATOM 0 H GLU A 74 -6.951 -21.994 -26.184 1.00 52.42 H new ATOM 0 HA GLU A 74 -5.230 -20.759 -24.335 1.00 3.11 H new ATOM 0 HB2 GLU A 74 -4.913 -21.102 -27.343 1.00 72.24 H new ATOM 0 HB3 GLU A 74 -3.618 -20.811 -26.200 1.00 72.24 H new ATOM 0 HG2 GLU A 74 -3.970 -22.967 -25.143 1.00 52.23 H new ATOM 0 HG3 GLU A 74 -5.425 -23.246 -26.079 1.00 52.23 H new ATOM 1159 N LEU A 75 -6.424 -18.797 -26.702 1.00 42.15 N ATOM 1160 CA LEU A 75 -6.601 -17.403 -27.092 1.00 71.53 C ATOM 1161 C LEU A 75 -7.620 -16.712 -26.192 1.00 12.12 C ATOM 1162 O LEU A 75 -7.390 -15.600 -25.716 1.00 11.11 O ATOM 1163 CB LEU A 75 -7.050 -17.314 -28.552 1.00 41.03 C ATOM 1164 CG LEU A 75 -6.602 -16.068 -29.317 1.00 24.12 C ATOM 1165 CD1 LEU A 75 -6.002 -16.453 -30.660 1.00 32.23 C ATOM 1166 CD2 LEU A 75 -7.770 -15.112 -29.507 1.00 75.14 C ATOM 0 H LEU A 75 -6.908 -19.467 -27.300 1.00 42.15 H new ATOM 0 HA LEU A 75 -5.643 -16.896 -26.982 1.00 71.53 H new ATOM 0 HB2 LEU A 75 -6.679 -18.193 -29.080 1.00 41.03 H new ATOM 0 HB3 LEU A 75 -8.139 -17.361 -28.580 1.00 41.03 H new ATOM 0 HG LEU A 75 -5.834 -15.561 -28.732 1.00 24.12 H new ATOM 0 HD11 LEU A 75 -5.689 -15.553 -31.190 1.00 32.23 H new ATOM 0 HD12 LEU A 75 -5.139 -17.099 -30.501 1.00 32.23 H new ATOM 0 HD13 LEU A 75 -6.747 -16.983 -31.253 1.00 32.23 H new ATOM 0 HD21 LEU A 75 -7.434 -14.231 -30.053 1.00 75.14 H new ATOM 0 HD22 LEU A 75 -8.559 -15.609 -30.071 1.00 75.14 H new ATOM 0 HD23 LEU A 75 -8.155 -14.810 -28.533 1.00 75.14 H new ATOM 1178 N ARG A 76 -8.747 -17.378 -25.961 1.00 43.25 N ATOM 1179 CA ARG A 76 -9.801 -16.829 -25.117 1.00 54.12 C ATOM 1180 C ARG A 76 -9.243 -16.398 -23.763 1.00 70.42 C ATOM 1181 O ARG A 76 -9.458 -15.268 -23.324 1.00 52.12 O ATOM 1182 CB ARG A 76 -10.914 -17.859 -24.918 1.00 72.22 C ATOM 1183 CG ARG A 76 -12.312 -17.279 -25.059 1.00 3.11 C ATOM 1184 CD ARG A 76 -12.718 -16.498 -23.819 1.00 20.43 C ATOM 1185 NE ARG A 76 -13.273 -17.365 -22.783 1.00 24.13 N ATOM 1186 CZ ARG A 76 -14.501 -17.869 -22.827 1.00 21.41 C ATOM 1187 NH1 ARG A 76 -15.298 -17.595 -23.850 1.00 73.42 N ATOM 1188 NH2 ARG A 76 -14.935 -18.650 -21.847 1.00 4.45 N ATOM 0 H ARG A 76 -8.953 -18.299 -26.347 1.00 43.25 H new ATOM 0 HA ARG A 76 -10.213 -15.953 -25.617 1.00 54.12 H new ATOM 0 HB2 ARG A 76 -10.788 -18.662 -25.644 1.00 72.22 H new ATOM 0 HB3 ARG A 76 -10.813 -18.305 -23.928 1.00 72.22 H new ATOM 0 HG2 ARG A 76 -12.350 -16.626 -25.931 1.00 3.11 H new ATOM 0 HG3 ARG A 76 -13.026 -18.084 -25.233 1.00 3.11 H new ATOM 0 HD2 ARG A 76 -11.851 -15.970 -23.423 1.00 20.43 H new ATOM 0 HD3 ARG A 76 -13.454 -15.742 -24.092 1.00 20.43 H new ATOM 0 HE ARG A 76 -12.685 -17.596 -21.982 1.00 24.13 H new ATOM 0 HH11 ARG A 76 -14.969 -16.995 -24.607 1.00 73.42 H new ATOM 0 HH12 ARG A 76 -16.241 -17.984 -23.881 1.00 73.42 H new ATOM 0 HH21 ARG A 76 -14.325 -18.864 -21.058 1.00 4.45 H new ATOM 0 HH22 ARG A 76 -15.878 -19.036 -21.882 1.00 4.45 H new ATOM 1202 N SER A 77 -8.530 -17.307 -23.107 1.00 54.13 N ATOM 1203 CA SER A 77 -7.946 -17.022 -21.801 1.00 63.05 C ATOM 1204 C SER A 77 -7.129 -15.735 -21.840 1.00 54.22 C ATOM 1205 O SER A 77 -7.213 -14.904 -20.933 1.00 23.35 O ATOM 1206 CB SER A 77 -7.061 -18.187 -21.350 1.00 71.41 C ATOM 1207 OG SER A 77 -7.830 -19.198 -20.722 1.00 64.13 O ATOM 0 H SER A 77 -8.343 -18.246 -23.457 1.00 54.13 H new ATOM 0 HA SER A 77 -8.760 -16.894 -21.087 1.00 63.05 H new ATOM 0 HB2 SER A 77 -6.538 -18.605 -22.210 1.00 71.41 H new ATOM 0 HB3 SER A 77 -6.300 -17.823 -20.660 1.00 71.41 H new ATOM 0 HG SER A 77 -7.242 -19.931 -20.445 1.00 64.13 H new ATOM 1213 N LEU A 78 -6.340 -15.573 -22.895 1.00 43.44 N ATOM 1214 CA LEU A 78 -5.507 -14.386 -23.054 1.00 55.11 C ATOM 1215 C LEU A 78 -6.358 -13.121 -23.062 1.00 31.32 C ATOM 1216 O LEU A 78 -6.156 -12.219 -22.248 1.00 53.12 O ATOM 1217 CB LEU A 78 -4.697 -14.477 -24.349 1.00 50.10 C ATOM 1218 CG LEU A 78 -3.220 -14.839 -24.191 1.00 42.44 C ATOM 1219 CD1 LEU A 78 -2.516 -13.835 -23.292 1.00 20.13 C ATOM 1220 CD2 LEU A 78 -3.072 -16.249 -23.638 1.00 40.00 C ATOM 0 H LEU A 78 -6.259 -16.249 -23.654 1.00 43.44 H new ATOM 0 HA LEU A 78 -4.823 -14.336 -22.207 1.00 55.11 H new ATOM 0 HB2 LEU A 78 -5.165 -15.219 -24.996 1.00 50.10 H new ATOM 0 HB3 LEU A 78 -4.763 -13.518 -24.864 1.00 50.10 H new ATOM 0 HG LEU A 78 -2.751 -14.805 -25.174 1.00 42.44 H new ATOM 0 HD11 LEU A 78 -1.466 -14.110 -23.192 1.00 20.13 H new ATOM 0 HD12 LEU A 78 -2.590 -12.840 -23.730 1.00 20.13 H new ATOM 0 HD13 LEU A 78 -2.986 -13.835 -22.309 1.00 20.13 H new ATOM 0 HD21 LEU A 78 -2.014 -16.489 -23.532 1.00 40.00 H new ATOM 0 HD22 LEU A 78 -3.557 -16.311 -22.664 1.00 40.00 H new ATOM 0 HD23 LEU A 78 -3.539 -16.959 -24.321 1.00 40.00 H new ATOM 1232 N TYR A 79 -7.313 -13.062 -23.983 1.00 72.32 N ATOM 1233 CA TYR A 79 -8.195 -11.907 -24.097 1.00 20.21 C ATOM 1234 C TYR A 79 -8.833 -11.574 -22.751 1.00 42.03 C ATOM 1235 O TYR A 79 -9.137 -10.417 -22.465 1.00 22.03 O ATOM 1236 CB TYR A 79 -9.284 -12.171 -25.138 1.00 72.32 C ATOM 1237 CG TYR A 79 -9.755 -10.924 -25.852 1.00 50.14 C ATOM 1238 CD1 TYR A 79 -8.899 -10.214 -26.687 1.00 61.41 C ATOM 1239 CD2 TYR A 79 -11.053 -10.455 -25.693 1.00 2.31 C ATOM 1240 CE1 TYR A 79 -9.325 -9.073 -27.341 1.00 50.41 C ATOM 1241 CE2 TYR A 79 -11.487 -9.317 -26.344 1.00 42.44 C ATOM 1242 CZ TYR A 79 -10.618 -8.630 -27.167 1.00 31.43 C ATOM 1243 OH TYR A 79 -11.047 -7.494 -27.817 1.00 3.24 O ATOM 0 H TYR A 79 -7.496 -13.801 -24.662 1.00 72.32 H new ATOM 0 HA TYR A 79 -7.596 -11.054 -24.416 1.00 20.21 H new ATOM 0 HB2 TYR A 79 -8.906 -12.880 -25.874 1.00 72.32 H new ATOM 0 HB3 TYR A 79 -10.136 -12.643 -24.648 1.00 72.32 H new ATOM 0 HD1 TYR A 79 -7.885 -10.560 -26.827 1.00 61.41 H new ATOM 0 HD2 TYR A 79 -11.735 -10.990 -25.049 1.00 2.31 H new ATOM 0 HE1 TYR A 79 -8.648 -8.532 -27.985 1.00 50.41 H new ATOM 0 HE2 TYR A 79 -12.500 -8.967 -26.210 1.00 42.44 H new ATOM 0 HH TYR A 79 -11.984 -7.320 -27.587 1.00 3.24 H new ATOM 1253 N ASN A 80 -9.032 -12.599 -21.929 1.00 64.33 N ATOM 1254 CA ASN A 80 -9.633 -12.418 -20.613 1.00 35.51 C ATOM 1255 C ASN A 80 -8.693 -11.652 -19.687 1.00 35.44 C ATOM 1256 O ASN A 80 -9.064 -10.623 -19.120 1.00 11.43 O ATOM 1257 CB ASN A 80 -9.982 -13.774 -19.996 1.00 75.30 C ATOM 1258 CG ASN A 80 -11.468 -14.071 -20.055 1.00 53.13 C ATOM 1259 OD1 ASN A 80 -12.164 -13.635 -20.973 1.00 43.41 O ATOM 1260 ND2 ASN A 80 -11.961 -14.815 -19.073 1.00 24.31 N ATOM 0 H ASN A 80 -8.786 -13.564 -22.151 1.00 64.33 H new ATOM 0 HA ASN A 80 -10.547 -11.837 -20.736 1.00 35.51 H new ATOM 0 HB2 ASN A 80 -9.436 -14.559 -20.519 1.00 75.30 H new ATOM 0 HB3 ASN A 80 -9.651 -13.793 -18.958 1.00 75.30 H new ATOM 0 HD21 ASN A 80 -12.954 -15.047 -19.058 1.00 24.31 H new ATOM 0 HD22 ASN A 80 -11.347 -15.155 -18.333 1.00 24.31 H new ATOM 1267 N THR A 81 -7.474 -12.160 -19.536 1.00 63.34 N ATOM 1268 CA THR A 81 -6.481 -11.526 -18.680 1.00 2.14 C ATOM 1269 C THR A 81 -6.080 -10.158 -19.222 1.00 4.12 C ATOM 1270 O THR A 81 -6.129 -9.158 -18.506 1.00 31.34 O ATOM 1271 CB THR A 81 -5.220 -12.400 -18.539 1.00 21.42 C ATOM 1272 OG1 THR A 81 -5.582 -13.715 -18.104 1.00 30.42 O ATOM 1273 CG2 THR A 81 -4.243 -11.784 -17.548 1.00 63.44 C ATOM 0 H THR A 81 -7.151 -13.011 -19.997 1.00 63.34 H new ATOM 0 HA THR A 81 -6.941 -11.404 -17.699 1.00 2.14 H new ATOM 0 HB THR A 81 -4.735 -12.460 -19.514 1.00 21.42 H new ATOM 0 HG1 THR A 81 -4.775 -14.265 -18.018 1.00 30.42 H new ATOM 0 HG21 THR A 81 -3.361 -12.418 -17.465 1.00 63.44 H new ATOM 0 HG22 THR A 81 -3.947 -10.794 -17.896 1.00 63.44 H new ATOM 0 HG23 THR A 81 -4.721 -11.697 -16.572 1.00 63.44 H new ATOM 1281 N ILE A 82 -5.684 -10.123 -20.489 1.00 71.11 N ATOM 1282 CA ILE A 82 -5.277 -8.878 -21.127 1.00 54.45 C ATOM 1283 C ILE A 82 -6.360 -7.813 -20.996 1.00 72.10 C ATOM 1284 O ILE A 82 -6.072 -6.617 -20.997 1.00 55.00 O ATOM 1285 CB ILE A 82 -4.956 -9.087 -22.618 1.00 65.11 C ATOM 1286 CG1 ILE A 82 -3.847 -10.130 -22.783 1.00 72.44 C ATOM 1287 CG2 ILE A 82 -4.551 -7.770 -23.264 1.00 22.35 C ATOM 1288 CD1 ILE A 82 -3.766 -10.710 -24.177 1.00 63.13 C ATOM 0 H ILE A 82 -5.636 -10.943 -21.094 1.00 71.11 H new ATOM 0 HA ILE A 82 -4.376 -8.542 -20.614 1.00 54.45 H new ATOM 0 HB ILE A 82 -5.852 -9.454 -23.118 1.00 65.11 H new ATOM 0 HG12 ILE A 82 -2.890 -9.673 -22.532 1.00 72.44 H new ATOM 0 HG13 ILE A 82 -4.011 -10.939 -22.071 1.00 72.44 H new ATOM 0 HG21 ILE A 82 -4.327 -7.935 -24.318 1.00 22.35 H new ATOM 0 HG22 ILE A 82 -5.368 -7.054 -23.174 1.00 22.35 H new ATOM 0 HG23 ILE A 82 -3.667 -7.376 -22.763 1.00 22.35 H new ATOM 0 HD11 ILE A 82 -2.959 -11.441 -24.221 1.00 63.13 H new ATOM 0 HD12 ILE A 82 -4.710 -11.196 -24.424 1.00 63.13 H new ATOM 0 HD13 ILE A 82 -3.571 -9.911 -24.893 1.00 63.13 H new ATOM 1300 N ALA A 83 -7.607 -8.256 -20.882 1.00 22.12 N ATOM 1301 CA ALA A 83 -8.734 -7.342 -20.746 1.00 24.21 C ATOM 1302 C ALA A 83 -8.753 -6.695 -19.365 1.00 64.01 C ATOM 1303 O ALA A 83 -8.633 -5.477 -19.237 1.00 41.51 O ATOM 1304 CB ALA A 83 -10.043 -8.074 -21.006 1.00 45.34 C ATOM 0 H ALA A 83 -7.863 -9.243 -20.881 1.00 22.12 H new ATOM 0 HA ALA A 83 -8.619 -6.551 -21.488 1.00 24.21 H new ATOM 0 HB1 ALA A 83 -10.876 -7.379 -20.901 1.00 45.34 H new ATOM 0 HB2 ALA A 83 -10.037 -8.483 -22.016 1.00 45.34 H new ATOM 0 HB3 ALA A 83 -10.155 -8.886 -20.287 1.00 45.34 H new ATOM 1310 N VAL A 84 -8.907 -7.519 -18.333 1.00 41.42 N ATOM 1311 CA VAL A 84 -8.941 -7.028 -16.961 1.00 50.32 C ATOM 1312 C VAL A 84 -7.709 -6.186 -16.647 1.00 65.40 C ATOM 1313 O VAL A 84 -7.792 -5.184 -15.937 1.00 20.22 O ATOM 1314 CB VAL A 84 -9.028 -8.187 -15.952 1.00 0.33 C ATOM 1315 CG1 VAL A 84 -9.037 -7.655 -14.526 1.00 22.41 C ATOM 1316 CG2 VAL A 84 -10.260 -9.037 -16.221 1.00 24.34 C ATOM 0 H VAL A 84 -9.010 -8.530 -18.422 1.00 41.42 H new ATOM 0 HA VAL A 84 -9.833 -6.409 -16.869 1.00 50.32 H new ATOM 0 HB VAL A 84 -8.147 -8.817 -16.073 1.00 0.33 H new ATOM 0 HG11 VAL A 84 -9.099 -8.489 -13.827 1.00 22.41 H new ATOM 0 HG12 VAL A 84 -8.121 -7.094 -14.341 1.00 22.41 H new ATOM 0 HG13 VAL A 84 -9.898 -7.001 -14.387 1.00 22.41 H new ATOM 0 HG21 VAL A 84 -10.305 -9.851 -15.498 1.00 24.34 H new ATOM 0 HG22 VAL A 84 -11.154 -8.421 -16.129 1.00 24.34 H new ATOM 0 HG23 VAL A 84 -10.205 -9.449 -17.229 1.00 24.34 H new ATOM 1326 N LEU A 85 -6.566 -6.600 -17.183 1.00 12.55 N ATOM 1327 CA LEU A 85 -5.314 -5.884 -16.961 1.00 3.13 C ATOM 1328 C LEU A 85 -5.319 -4.541 -17.685 1.00 5.22 C ATOM 1329 O LEU A 85 -5.070 -3.498 -17.081 1.00 10.23 O ATOM 1330 CB LEU A 85 -4.129 -6.728 -17.434 1.00 25.42 C ATOM 1331 CG LEU A 85 -2.786 -6.438 -16.763 1.00 35.40 C ATOM 1332 CD1 LEU A 85 -2.583 -7.348 -15.561 1.00 43.05 C ATOM 1333 CD2 LEU A 85 -1.646 -6.600 -17.757 1.00 24.55 C ATOM 0 H LEU A 85 -6.480 -7.427 -17.774 1.00 12.55 H new ATOM 0 HA LEU A 85 -5.215 -5.699 -15.891 1.00 3.13 H new ATOM 0 HB2 LEU A 85 -4.372 -7.779 -17.276 1.00 25.42 H new ATOM 0 HB3 LEU A 85 -4.014 -6.586 -18.508 1.00 25.42 H new ATOM 0 HG LEU A 85 -2.791 -5.405 -16.414 1.00 35.40 H new ATOM 0 HD11 LEU A 85 -1.622 -7.128 -15.096 1.00 43.05 H new ATOM 0 HD12 LEU A 85 -3.382 -7.181 -14.839 1.00 43.05 H new ATOM 0 HD13 LEU A 85 -2.599 -8.388 -15.886 1.00 43.05 H new ATOM 0 HD21 LEU A 85 -0.698 -6.390 -17.261 1.00 24.55 H new ATOM 0 HD22 LEU A 85 -1.637 -7.621 -18.138 1.00 24.55 H new ATOM 0 HD23 LEU A 85 -1.784 -5.905 -18.585 1.00 24.55 H new ATOM 1345 N TYR A 86 -5.605 -4.576 -18.982 1.00 3.42 N ATOM 1346 CA TYR A 86 -5.642 -3.362 -19.789 1.00 25.22 C ATOM 1347 C TYR A 86 -6.539 -2.309 -19.148 1.00 22.13 C ATOM 1348 O TYR A 86 -6.158 -1.145 -19.024 1.00 35.21 O ATOM 1349 CB TYR A 86 -6.137 -3.680 -21.201 1.00 15.11 C ATOM 1350 CG TYR A 86 -6.378 -2.450 -22.048 1.00 64.32 C ATOM 1351 CD1 TYR A 86 -5.318 -1.750 -22.609 1.00 22.24 C ATOM 1352 CD2 TYR A 86 -7.667 -1.991 -22.288 1.00 32.35 C ATOM 1353 CE1 TYR A 86 -5.534 -0.625 -23.382 1.00 25.12 C ATOM 1354 CE2 TYR A 86 -7.893 -0.868 -23.062 1.00 24.22 C ATOM 1355 CZ TYR A 86 -6.823 -0.189 -23.606 1.00 43.54 C ATOM 1356 OH TYR A 86 -7.042 0.929 -24.378 1.00 31.54 O ATOM 0 H TYR A 86 -5.814 -5.431 -19.497 1.00 3.42 H new ATOM 0 HA TYR A 86 -4.629 -2.963 -19.847 1.00 25.22 H new ATOM 0 HB2 TYR A 86 -5.406 -4.317 -21.699 1.00 15.11 H new ATOM 0 HB3 TYR A 86 -7.063 -4.251 -21.133 1.00 15.11 H new ATOM 0 HD1 TYR A 86 -4.307 -2.091 -22.438 1.00 22.24 H new ATOM 0 HD2 TYR A 86 -8.507 -2.520 -21.863 1.00 32.35 H new ATOM 0 HE1 TYR A 86 -4.698 -0.090 -23.808 1.00 25.12 H new ATOM 0 HE2 TYR A 86 -8.901 -0.525 -23.240 1.00 24.22 H new ATOM 0 HH TYR A 86 -8.005 1.101 -24.439 1.00 31.54 H new ATOM 1366 N CYS A 87 -7.733 -2.726 -18.741 1.00 4.45 N ATOM 1367 CA CYS A 87 -8.686 -1.820 -18.111 1.00 65.33 C ATOM 1368 C CYS A 87 -8.053 -1.102 -16.924 1.00 42.44 C ATOM 1369 O CYS A 87 -8.360 0.059 -16.651 1.00 64.14 O ATOM 1370 CB CYS A 87 -9.927 -2.589 -17.654 1.00 22.30 C ATOM 1371 SG CYS A 87 -11.094 -2.965 -18.983 1.00 2.14 S ATOM 0 H CYS A 87 -8.064 -3.686 -18.836 1.00 4.45 H new ATOM 0 HA CYS A 87 -8.980 -1.073 -18.848 1.00 65.33 H new ATOM 0 HB2 CYS A 87 -9.612 -3.522 -17.187 1.00 22.30 H new ATOM 0 HB3 CYS A 87 -10.440 -2.007 -16.888 1.00 22.30 H new ATOM 0 HG CYS A 87 -12.108 -3.618 -18.498 1.00 2.14 H new ATOM 1377 N VAL A 88 -7.166 -1.799 -16.222 1.00 3.33 N ATOM 1378 CA VAL A 88 -6.489 -1.229 -15.064 1.00 5.35 C ATOM 1379 C VAL A 88 -5.532 -0.117 -15.480 1.00 1.15 C ATOM 1380 O VAL A 88 -5.529 0.965 -14.891 1.00 55.22 O ATOM 1381 CB VAL A 88 -5.703 -2.303 -14.288 1.00 21.23 C ATOM 1382 CG1 VAL A 88 -5.050 -1.699 -13.053 1.00 41.35 C ATOM 1383 CG2 VAL A 88 -6.616 -3.459 -13.906 1.00 70.13 C ATOM 0 H VAL A 88 -6.899 -2.760 -16.435 1.00 3.33 H new ATOM 0 HA VAL A 88 -7.263 -0.816 -14.416 1.00 5.35 H new ATOM 0 HB VAL A 88 -4.915 -2.690 -14.934 1.00 21.23 H new ATOM 0 HG11 VAL A 88 -4.499 -2.472 -12.518 1.00 41.35 H new ATOM 0 HG12 VAL A 88 -4.364 -0.908 -13.354 1.00 41.35 H new ATOM 0 HG13 VAL A 88 -5.819 -1.284 -12.401 1.00 41.35 H new ATOM 0 HG21 VAL A 88 -6.044 -4.208 -13.359 1.00 70.13 H new ATOM 0 HG22 VAL A 88 -7.426 -3.090 -13.277 1.00 70.13 H new ATOM 0 HG23 VAL A 88 -7.032 -3.908 -14.808 1.00 70.13 H new ATOM 1393 N HIS A 89 -4.722 -0.390 -16.497 1.00 60.05 N ATOM 1394 CA HIS A 89 -3.761 0.589 -16.994 1.00 1.53 C ATOM 1395 C HIS A 89 -4.475 1.808 -17.568 1.00 35.15 C ATOM 1396 O HIS A 89 -3.947 2.906 -17.393 1.00 55.21 O ATOM 1397 CB HIS A 89 -2.866 -0.041 -18.062 1.00 53.31 C ATOM 1398 CG HIS A 89 -1.950 -1.099 -17.528 1.00 25.35 C ATOM 1399 ND1 HIS A 89 -1.548 -1.152 -16.210 1.00 0.52 N ATOM 1400 CD2 HIS A 89 -1.359 -2.151 -18.142 1.00 71.21 C ATOM 1401 CE1 HIS A 89 -0.748 -2.190 -16.038 1.00 14.13 C ATOM 1402 NE2 HIS A 89 -0.618 -2.813 -17.195 1.00 10.21 N ATOM 0 H HIS A 89 -4.711 -1.281 -16.994 1.00 60.05 H new ATOM 0 HA HIS A 89 -3.143 0.912 -16.156 1.00 1.53 H new ATOM 0 HB2 HIS A 89 -3.494 -0.475 -18.841 1.00 53.31 H new ATOM 0 HB3 HIS A 89 -2.270 0.741 -18.532 1.00 53.31 H new ATOM 0 HD2 HIS A 89 -1.453 -2.420 -19.184 1.00 71.21 H new ATOM 0 HE1 HIS A 89 -0.280 -2.480 -15.109 1.00 14.13 H new ATOM 0 HE2 HIS A 89 -0.058 -3.650 -17.358 1.00 10.21 H new ATOM 1411 N GLN A 90 -5.622 1.652 -18.223 1.00 3.42 N ATOM 1412 CA GLN A 90 -6.339 2.788 -18.789 1.00 2.11 C ATOM 1413 C GLN A 90 -7.052 3.580 -17.697 1.00 45.53 C ATOM 1414 O GLN A 90 -6.639 4.686 -17.351 1.00 33.43 O ATOM 1415 CB GLN A 90 -7.350 2.311 -19.833 1.00 23.44 C ATOM 1416 CG GLN A 90 -6.954 2.645 -21.261 1.00 75.12 C ATOM 1417 CD GLN A 90 -7.813 3.740 -21.863 1.00 65.32 C ATOM 1418 OE1 GLN A 90 -8.792 3.465 -22.557 1.00 23.40 O ATOM 1419 NE2 GLN A 90 -7.450 4.990 -21.600 1.00 64.24 N ATOM 0 H GLN A 90 -6.074 0.750 -18.374 1.00 3.42 H new ATOM 0 HA GLN A 90 -5.612 3.442 -19.271 1.00 2.11 H new ATOM 0 HB2 GLN A 90 -7.472 1.232 -19.742 1.00 23.44 H new ATOM 0 HB3 GLN A 90 -8.320 2.760 -19.619 1.00 23.44 H new ATOM 0 HG2 GLN A 90 -5.909 2.955 -21.281 1.00 75.12 H new ATOM 0 HG3 GLN A 90 -7.032 1.748 -21.875 1.00 75.12 H new ATOM 0 HE21 GLN A 90 -6.631 5.172 -21.020 1.00 64.24 H new ATOM 0 HE22 GLN A 90 -7.990 5.768 -21.978 1.00 64.24 H new ATOM 1428 N ARG A 91 -8.123 3.005 -17.160 1.00 32.15 N ATOM 1429 CA ARG A 91 -8.894 3.658 -16.109 1.00 52.11 C ATOM 1430 C ARG A 91 -10.056 2.777 -15.660 1.00 73.41 C ATOM 1431 O ARG A 91 -10.418 2.762 -14.484 1.00 13.24 O ATOM 1432 CB ARG A 91 -9.423 5.008 -16.598 1.00 45.44 C ATOM 1433 CG ARG A 91 -9.164 6.150 -15.630 1.00 33.45 C ATOM 1434 CD ARG A 91 -9.270 7.501 -16.321 1.00 25.14 C ATOM 1435 NE ARG A 91 -7.999 8.219 -16.316 1.00 42.10 N ATOM 1436 CZ ARG A 91 -7.790 9.348 -16.984 1.00 61.12 C ATOM 1437 NH1 ARG A 91 -8.763 9.884 -17.706 1.00 35.33 N ATOM 1438 NH2 ARG A 91 -6.605 9.943 -16.930 1.00 21.21 N ATOM 0 H ARG A 91 -8.476 2.089 -17.435 1.00 32.15 H new ATOM 0 HA ARG A 91 -8.234 3.821 -15.257 1.00 52.11 H new ATOM 0 HB2 ARG A 91 -8.961 5.244 -17.557 1.00 45.44 H new ATOM 0 HB3 ARG A 91 -10.496 4.927 -16.772 1.00 45.44 H new ATOM 0 HG2 ARG A 91 -9.880 6.103 -14.810 1.00 33.45 H new ATOM 0 HG3 ARG A 91 -8.171 6.040 -15.193 1.00 33.45 H new ATOM 0 HD2 ARG A 91 -9.601 7.357 -17.349 1.00 25.14 H new ATOM 0 HD3 ARG A 91 -10.029 8.104 -15.823 1.00 25.14 H new ATOM 0 HE ARG A 91 -7.229 7.833 -15.770 1.00 42.10 H new ATOM 0 HH11 ARG A 91 -9.675 9.430 -17.750 1.00 35.33 H new ATOM 0 HH12 ARG A 91 -8.600 10.751 -18.218 1.00 35.33 H new ATOM 0 HH21 ARG A 91 -5.853 9.533 -16.375 1.00 21.21 H new ATOM 0 HH22 ARG A 91 -6.446 10.810 -17.443 1.00 21.21 H new ATOM 1452 N ILE A 92 -10.636 2.045 -16.605 1.00 43.15 N ATOM 1453 CA ILE A 92 -11.757 1.162 -16.307 1.00 2.33 C ATOM 1454 C ILE A 92 -11.428 0.231 -15.143 1.00 71.12 C ATOM 1455 O ILE A 92 -10.433 -0.493 -15.177 1.00 12.32 O ATOM 1456 CB ILE A 92 -12.148 0.315 -17.532 1.00 41.43 C ATOM 1457 CG1 ILE A 92 -12.381 1.215 -18.747 1.00 21.22 C ATOM 1458 CG2 ILE A 92 -13.390 -0.511 -17.230 1.00 70.21 C ATOM 1459 CD1 ILE A 92 -11.343 1.045 -19.833 1.00 63.14 C ATOM 0 H ILE A 92 -10.348 2.046 -17.584 1.00 43.15 H new ATOM 0 HA ILE A 92 -12.598 1.800 -16.034 1.00 2.33 H new ATOM 0 HB ILE A 92 -11.329 -0.367 -17.761 1.00 41.43 H new ATOM 0 HG12 ILE A 92 -13.367 1.004 -19.162 1.00 21.22 H new ATOM 0 HG13 ILE A 92 -12.388 2.255 -18.422 1.00 21.22 H new ATOM 0 HG21 ILE A 92 -13.654 -1.104 -18.105 1.00 70.21 H new ATOM 0 HG22 ILE A 92 -13.190 -1.175 -16.389 1.00 70.21 H new ATOM 0 HG23 ILE A 92 -14.217 0.154 -16.979 1.00 70.21 H new ATOM 0 HD11 ILE A 92 -11.572 1.714 -20.663 1.00 63.14 H new ATOM 0 HD12 ILE A 92 -10.357 1.285 -19.435 1.00 63.14 H new ATOM 0 HD13 ILE A 92 -11.351 0.014 -20.186 1.00 63.14 H new ATOM 1471 N ASP A 93 -12.272 0.255 -14.118 1.00 64.32 N ATOM 1472 CA ASP A 93 -12.074 -0.588 -12.945 1.00 1.31 C ATOM 1473 C ASP A 93 -13.217 -1.587 -12.794 1.00 45.15 C ATOM 1474 O ASP A 93 -13.863 -1.653 -11.749 1.00 22.41 O ATOM 1475 CB ASP A 93 -11.962 0.271 -11.685 1.00 2.40 C ATOM 1476 CG ASP A 93 -13.149 1.196 -11.508 1.00 23.42 C ATOM 1477 OD1 ASP A 93 -13.282 2.150 -12.303 1.00 3.43 O ATOM 1478 OD2 ASP A 93 -13.946 0.966 -10.573 1.00 70.40 O ATOM 0 H ASP A 93 -13.100 0.849 -14.075 1.00 64.32 H new ATOM 0 HA ASP A 93 -11.146 -1.143 -13.081 1.00 1.31 H new ATOM 0 HB2 ASP A 93 -11.877 -0.378 -10.813 1.00 2.40 H new ATOM 0 HB3 ASP A 93 -11.048 0.863 -11.732 1.00 2.40 H new ATOM 1483 N VAL A 94 -13.462 -2.362 -13.847 1.00 13.25 N ATOM 1484 CA VAL A 94 -14.527 -3.358 -13.831 1.00 72.42 C ATOM 1485 C VAL A 94 -14.414 -4.265 -12.611 1.00 63.41 C ATOM 1486 O VAL A 94 -13.379 -4.303 -11.946 1.00 2.04 O ATOM 1487 CB VAL A 94 -14.505 -4.223 -15.105 1.00 41.41 C ATOM 1488 CG1 VAL A 94 -14.598 -3.349 -16.347 1.00 13.43 C ATOM 1489 CG2 VAL A 94 -13.251 -5.083 -15.142 1.00 24.35 C ATOM 0 H VAL A 94 -12.938 -2.319 -14.721 1.00 13.25 H new ATOM 0 HA VAL A 94 -15.470 -2.813 -13.787 1.00 72.42 H new ATOM 0 HB VAL A 94 -15.372 -4.884 -15.090 1.00 41.41 H new ATOM 0 HG11 VAL A 94 -14.581 -3.978 -17.237 1.00 13.43 H new ATOM 0 HG12 VAL A 94 -15.527 -2.780 -16.323 1.00 13.43 H new ATOM 0 HG13 VAL A 94 -13.752 -2.662 -16.372 1.00 13.43 H new ATOM 0 HG21 VAL A 94 -13.251 -5.688 -16.049 1.00 24.35 H new ATOM 0 HG22 VAL A 94 -12.370 -4.442 -15.134 1.00 24.35 H new ATOM 0 HG23 VAL A 94 -13.232 -5.736 -14.270 1.00 24.35 H new ATOM 1499 N LYS A 95 -15.485 -4.996 -12.323 1.00 35.13 N ATOM 1500 CA LYS A 95 -15.508 -5.906 -11.184 1.00 71.25 C ATOM 1501 C LYS A 95 -15.094 -7.313 -11.604 1.00 75.00 C ATOM 1502 O LYS A 95 -14.581 -8.086 -10.795 1.00 51.32 O ATOM 1503 CB LYS A 95 -16.904 -5.939 -10.559 1.00 74.11 C ATOM 1504 CG LYS A 95 -16.890 -5.945 -9.040 1.00 32.41 C ATOM 1505 CD LYS A 95 -17.781 -7.040 -8.477 1.00 62.44 C ATOM 1506 CE LYS A 95 -17.580 -7.209 -6.980 1.00 53.54 C ATOM 1507 NZ LYS A 95 -18.262 -8.427 -6.462 1.00 1.23 N ATOM 0 H LYS A 95 -16.350 -4.976 -12.863 1.00 35.13 H new ATOM 0 HA LYS A 95 -14.795 -5.541 -10.445 1.00 71.25 H new ATOM 0 HB2 LYS A 95 -17.469 -5.073 -10.905 1.00 74.11 H new ATOM 0 HB3 LYS A 95 -17.431 -6.825 -10.913 1.00 74.11 H new ATOM 0 HG2 LYS A 95 -15.869 -6.087 -8.685 1.00 32.41 H new ATOM 0 HG3 LYS A 95 -17.224 -4.976 -8.669 1.00 32.41 H new ATOM 0 HD2 LYS A 95 -18.825 -6.801 -8.680 1.00 62.44 H new ATOM 0 HD3 LYS A 95 -17.565 -7.981 -8.982 1.00 62.44 H new ATOM 0 HE2 LYS A 95 -16.514 -7.269 -6.761 1.00 53.54 H new ATOM 0 HE3 LYS A 95 -17.963 -6.330 -6.461 1.00 53.54 H new ATOM 0 HZ1 LYS A 95 -18.101 -8.506 -5.438 1.00 1.23 H new ATOM 0 HZ2 LYS A 95 -19.283 -8.359 -6.647 1.00 1.23 H new ATOM 0 HZ3 LYS A 95 -17.879 -9.268 -6.939 1.00 1.23 H new ATOM 1521 N ASP A 96 -15.320 -7.637 -12.872 1.00 64.30 N ATOM 1522 CA ASP A 96 -14.968 -8.951 -13.400 1.00 12.41 C ATOM 1523 C ASP A 96 -14.457 -8.841 -14.832 1.00 42.55 C ATOM 1524 O ASP A 96 -14.371 -7.747 -15.392 1.00 71.30 O ATOM 1525 CB ASP A 96 -16.177 -9.886 -13.347 1.00 33.02 C ATOM 1526 CG ASP A 96 -17.452 -9.211 -13.812 1.00 54.43 C ATOM 1527 OD1 ASP A 96 -17.637 -9.074 -15.040 1.00 43.34 O ATOM 1528 OD2 ASP A 96 -18.266 -8.820 -12.950 1.00 12.20 O ATOM 0 H ASP A 96 -15.745 -7.009 -13.554 1.00 64.30 H new ATOM 0 HA ASP A 96 -14.172 -9.364 -12.780 1.00 12.41 H new ATOM 0 HB2 ASP A 96 -15.984 -10.760 -13.969 1.00 33.02 H new ATOM 0 HB3 ASP A 96 -16.311 -10.245 -12.326 1.00 33.02 H new ATOM 1533 N THR A 97 -14.115 -9.983 -15.422 1.00 61.23 N ATOM 1534 CA THR A 97 -13.610 -10.015 -16.789 1.00 41.35 C ATOM 1535 C THR A 97 -14.719 -9.724 -17.792 1.00 61.44 C ATOM 1536 O THR A 97 -14.467 -9.201 -18.879 1.00 25.14 O ATOM 1537 CB THR A 97 -12.977 -11.380 -17.122 1.00 25.24 C ATOM 1538 OG1 THR A 97 -12.096 -11.782 -16.066 1.00 32.32 O ATOM 1539 CG2 THR A 97 -12.209 -11.315 -18.432 1.00 42.14 C ATOM 0 H THR A 97 -14.179 -10.897 -14.974 1.00 61.23 H new ATOM 0 HA THR A 97 -12.846 -9.241 -16.862 1.00 41.35 H new ATOM 0 HB THR A 97 -13.778 -12.112 -17.225 1.00 25.24 H new ATOM 0 HG1 THR A 97 -12.237 -12.731 -15.866 1.00 32.32 H new ATOM 0 HG21 THR A 97 -11.771 -12.290 -18.646 1.00 42.14 H new ATOM 0 HG22 THR A 97 -12.888 -11.037 -19.238 1.00 42.14 H new ATOM 0 HG23 THR A 97 -11.416 -10.571 -18.353 1.00 42.14 H new ATOM 1547 N LYS A 98 -15.950 -10.065 -17.423 1.00 41.44 N ATOM 1548 CA LYS A 98 -17.099 -9.840 -18.290 1.00 75.31 C ATOM 1549 C LYS A 98 -17.286 -8.351 -18.569 1.00 41.33 C ATOM 1550 O LYS A 98 -17.296 -7.924 -19.723 1.00 61.54 O ATOM 1551 CB LYS A 98 -18.367 -10.411 -17.651 1.00 44.22 C ATOM 1552 CG LYS A 98 -19.056 -11.464 -18.502 1.00 45.43 C ATOM 1553 CD LYS A 98 -20.497 -11.088 -18.796 1.00 33.32 C ATOM 1554 CE LYS A 98 -20.594 -10.121 -19.967 1.00 44.01 C ATOM 1555 NZ LYS A 98 -21.987 -9.640 -20.175 1.00 72.24 N ATOM 0 H LYS A 98 -16.176 -10.499 -16.528 1.00 41.44 H new ATOM 0 HA LYS A 98 -16.914 -10.350 -19.235 1.00 75.31 H new ATOM 0 HB2 LYS A 98 -18.112 -10.846 -16.685 1.00 44.22 H new ATOM 0 HB3 LYS A 98 -19.066 -9.597 -17.459 1.00 44.22 H new ATOM 0 HG2 LYS A 98 -18.513 -11.588 -19.439 1.00 45.43 H new ATOM 0 HG3 LYS A 98 -19.027 -12.425 -17.988 1.00 45.43 H new ATOM 0 HD2 LYS A 98 -21.071 -11.988 -19.018 1.00 33.32 H new ATOM 0 HD3 LYS A 98 -20.944 -10.635 -17.911 1.00 33.32 H new ATOM 0 HE2 LYS A 98 -19.938 -9.269 -19.789 1.00 44.01 H new ATOM 0 HE3 LYS A 98 -20.240 -10.612 -20.874 1.00 44.01 H new ATOM 0 HZ1 LYS A 98 -21.968 -8.717 -20.654 1.00 72.24 H new ATOM 0 HZ2 LYS A 98 -22.506 -10.324 -20.762 1.00 72.24 H new ATOM 0 HZ3 LYS A 98 -22.462 -9.542 -19.255 1.00 72.24 H new ATOM 1569 N GLU A 99 -17.431 -7.567 -17.506 1.00 24.30 N ATOM 1570 CA GLU A 99 -17.616 -6.127 -17.639 1.00 3.35 C ATOM 1571 C GLU A 99 -16.514 -5.514 -18.496 1.00 50.32 C ATOM 1572 O GLU A 99 -16.761 -4.606 -19.289 1.00 31.42 O ATOM 1573 CB GLU A 99 -17.633 -5.464 -16.260 1.00 32.33 C ATOM 1574 CG GLU A 99 -19.025 -5.338 -15.662 1.00 40.45 C ATOM 1575 CD GLU A 99 -18.998 -4.965 -14.192 1.00 45.13 C ATOM 1576 OE1 GLU A 99 -18.032 -4.296 -13.769 1.00 24.14 O ATOM 1577 OE2 GLU A 99 -19.940 -5.344 -13.467 1.00 10.12 O ATOM 0 H GLU A 99 -17.424 -7.904 -16.543 1.00 24.30 H new ATOM 0 HA GLU A 99 -18.573 -5.953 -18.130 1.00 3.35 H new ATOM 0 HB2 GLU A 99 -17.006 -6.041 -15.581 1.00 32.33 H new ATOM 0 HB3 GLU A 99 -17.189 -4.472 -16.338 1.00 32.33 H new ATOM 0 HG2 GLU A 99 -19.586 -4.584 -16.214 1.00 40.45 H new ATOM 0 HG3 GLU A 99 -19.555 -6.283 -15.783 1.00 40.45 H new ATOM 1584 N ALA A 100 -15.294 -6.016 -18.331 1.00 22.13 N ATOM 1585 CA ALA A 100 -14.154 -5.520 -19.090 1.00 52.42 C ATOM 1586 C ALA A 100 -14.363 -5.718 -20.588 1.00 41.41 C ATOM 1587 O ALA A 100 -13.920 -4.904 -21.400 1.00 23.33 O ATOM 1588 CB ALA A 100 -12.876 -6.212 -18.638 1.00 12.34 C ATOM 0 H ALA A 100 -15.071 -6.767 -17.677 1.00 22.13 H new ATOM 0 HA ALA A 100 -14.062 -4.451 -18.900 1.00 52.42 H new ATOM 0 HB1 ALA A 100 -12.033 -5.831 -19.214 1.00 12.34 H new ATOM 0 HB2 ALA A 100 -12.711 -6.015 -17.579 1.00 12.34 H new ATOM 0 HB3 ALA A 100 -12.968 -7.286 -18.797 1.00 12.34 H new ATOM 1594 N LEU A 101 -15.038 -6.803 -20.947 1.00 22.33 N ATOM 1595 CA LEU A 101 -15.306 -7.110 -22.348 1.00 55.41 C ATOM 1596 C LEU A 101 -16.370 -6.176 -22.916 1.00 0.11 C ATOM 1597 O LEU A 101 -16.181 -5.573 -23.973 1.00 33.22 O ATOM 1598 CB LEU A 101 -15.754 -8.564 -22.497 1.00 22.21 C ATOM 1599 CG LEU A 101 -14.889 -9.445 -23.398 1.00 22.25 C ATOM 1600 CD1 LEU A 101 -14.814 -8.864 -24.800 1.00 71.25 C ATOM 1601 CD2 LEU A 101 -13.494 -9.602 -22.809 1.00 22.25 C ATOM 0 H LEU A 101 -15.410 -7.486 -20.287 1.00 22.33 H new ATOM 0 HA LEU A 101 -14.383 -6.963 -22.909 1.00 55.41 H new ATOM 0 HB2 LEU A 101 -15.788 -9.016 -21.506 1.00 22.21 H new ATOM 0 HB3 LEU A 101 -16.772 -8.571 -22.886 1.00 22.21 H new ATOM 0 HG LEU A 101 -15.350 -10.431 -23.460 1.00 22.25 H new ATOM 0 HD11 LEU A 101 -14.194 -9.505 -25.427 1.00 71.25 H new ATOM 0 HD12 LEU A 101 -15.817 -8.803 -25.223 1.00 71.25 H new ATOM 0 HD13 LEU A 101 -14.377 -7.866 -24.757 1.00 71.25 H new ATOM 0 HD21 LEU A 101 -12.892 -10.232 -23.463 1.00 22.25 H new ATOM 0 HD22 LEU A 101 -13.026 -8.622 -22.717 1.00 22.25 H new ATOM 0 HD23 LEU A 101 -13.565 -10.064 -21.824 1.00 22.25 H new ATOM 1613 N ASP A 102 -17.487 -6.061 -22.206 1.00 75.13 N ATOM 1614 CA ASP A 102 -18.580 -5.197 -22.637 1.00 25.15 C ATOM 1615 C ASP A 102 -18.124 -3.745 -22.728 1.00 33.12 C ATOM 1616 O ASP A 102 -18.605 -2.983 -23.567 1.00 12.22 O ATOM 1617 CB ASP A 102 -19.762 -5.314 -21.672 1.00 41.14 C ATOM 1618 CG ASP A 102 -20.873 -6.188 -22.220 1.00 20.43 C ATOM 1619 OD1 ASP A 102 -21.275 -5.977 -23.384 1.00 52.12 O ATOM 1620 OD2 ASP A 102 -21.341 -7.083 -21.486 1.00 33.33 O ATOM 0 H ASP A 102 -17.659 -6.555 -21.330 1.00 75.13 H new ATOM 0 HA ASP A 102 -18.896 -5.521 -23.628 1.00 25.15 H new ATOM 0 HB2 ASP A 102 -19.414 -5.725 -20.724 1.00 41.14 H new ATOM 0 HB3 ASP A 102 -20.156 -4.320 -21.462 1.00 41.14 H new ATOM 1625 N LYS A 103 -17.192 -3.368 -21.858 1.00 31.43 N ATOM 1626 CA LYS A 103 -16.669 -2.007 -21.839 1.00 72.32 C ATOM 1627 C LYS A 103 -15.809 -1.737 -23.068 1.00 43.43 C ATOM 1628 O LYS A 103 -16.092 -0.829 -23.849 1.00 71.21 O ATOM 1629 CB LYS A 103 -15.850 -1.771 -20.568 1.00 22.01 C ATOM 1630 CG LYS A 103 -15.920 -0.344 -20.055 1.00 33.35 C ATOM 1631 CD LYS A 103 -17.029 -0.173 -19.029 1.00 64.25 C ATOM 1632 CE LYS A 103 -17.816 1.106 -19.267 1.00 34.05 C ATOM 1633 NZ LYS A 103 -18.477 1.589 -18.023 1.00 32.53 N ATOM 0 H LYS A 103 -16.784 -3.986 -21.157 1.00 31.43 H new ATOM 0 HA LYS A 103 -17.515 -1.320 -21.852 1.00 72.32 H new ATOM 0 HB2 LYS A 103 -16.203 -2.446 -19.788 1.00 22.01 H new ATOM 0 HB3 LYS A 103 -14.809 -2.027 -20.764 1.00 22.01 H new ATOM 0 HG2 LYS A 103 -14.964 -0.070 -19.608 1.00 33.35 H new ATOM 0 HG3 LYS A 103 -16.088 0.336 -20.890 1.00 33.35 H new ATOM 0 HD2 LYS A 103 -17.702 -1.029 -19.073 1.00 64.25 H new ATOM 0 HD3 LYS A 103 -16.600 -0.156 -18.027 1.00 64.25 H new ATOM 0 HE2 LYS A 103 -17.147 1.879 -19.647 1.00 34.05 H new ATOM 0 HE3 LYS A 103 -18.570 0.931 -20.035 1.00 34.05 H new ATOM 0 HZ1 LYS A 103 -19.003 2.463 -18.226 1.00 32.53 H new ATOM 0 HZ2 LYS A 103 -19.134 0.862 -17.674 1.00 32.53 H new ATOM 0 HZ3 LYS A 103 -17.756 1.780 -17.298 1.00 32.53 H new ATOM 1647 N ILE A 104 -14.758 -2.534 -23.235 1.00 53.55 N ATOM 1648 CA ILE A 104 -13.857 -2.382 -24.371 1.00 54.34 C ATOM 1649 C ILE A 104 -14.598 -2.580 -25.690 1.00 11.15 C ATOM 1650 O ILE A 104 -14.301 -1.918 -26.684 1.00 63.51 O ATOM 1651 CB ILE A 104 -12.685 -3.379 -24.299 1.00 32.20 C ATOM 1652 CG1 ILE A 104 -11.905 -3.188 -22.997 1.00 15.23 C ATOM 1653 CG2 ILE A 104 -11.770 -3.210 -25.502 1.00 73.22 C ATOM 1654 CD1 ILE A 104 -10.923 -4.302 -22.712 1.00 41.54 C ATOM 0 H ILE A 104 -14.510 -3.291 -22.598 1.00 53.55 H new ATOM 0 HA ILE A 104 -13.462 -1.367 -24.327 1.00 54.34 H new ATOM 0 HB ILE A 104 -13.087 -4.392 -24.314 1.00 32.20 H new ATOM 0 HG12 ILE A 104 -11.366 -2.242 -23.042 1.00 15.23 H new ATOM 0 HG13 ILE A 104 -12.609 -3.115 -22.168 1.00 15.23 H new ATOM 0 HG21 ILE A 104 -10.947 -3.922 -25.436 1.00 73.22 H new ATOM 0 HG22 ILE A 104 -12.334 -3.392 -26.417 1.00 73.22 H new ATOM 0 HG23 ILE A 104 -11.372 -2.195 -25.517 1.00 73.22 H new ATOM 0 HD11 ILE A 104 -10.406 -4.100 -21.774 1.00 41.54 H new ATOM 0 HD12 ILE A 104 -11.459 -5.248 -22.635 1.00 41.54 H new ATOM 0 HD13 ILE A 104 -10.196 -4.362 -23.522 1.00 41.54 H new