USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 554 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 16 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 19 LYS NZ :NH3+ -166:sc= -0.0417 (180deg=-0.277) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 55:sc= 0.309 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 165:sc= -0.0506 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 25:sc= 0.18 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -113:sc= -0.862 (180deg=-1.9!) USER MOD Single : A 47 LYS NZ :NH3+ 142:sc= -0.472 (180deg=-1.96) USER MOD Single : A 48 ASN : amide:sc= -0.0156 K(o=-0.016,f=-1.2) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 160:sc= -0.979 (180deg=-1.85!) USER MOD Single : A 58 ASN :FLIP amide:sc= -1.35 F(o=-2.2!,f=-1.3) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 34:sc= 0.323 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.128 -18.438 -2.784 1.00 0.00 N ATOM 2 CA GLY A 1 1.599 -19.031 -1.547 1.00 0.00 C ATOM 3 C GLY A 1 3.097 -19.256 -1.544 1.00 0.00 C ATOM 4 O GLY A 1 3.572 -20.332 -1.909 1.00 0.00 O ATOM 0 H1 GLY A 1 0.098 -18.305 -2.735 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.590 -17.517 -2.925 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.358 -19.066 -3.580 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.331 -18.383 -0.712 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.092 -19.983 -1.388 1.00 0.00 H new ATOM 8 N SER A 2 3.846 -18.237 -1.135 1.00 0.00 N ATOM 9 CA SER A 2 5.302 -18.326 -1.092 1.00 0.00 C ATOM 10 C SER A 2 5.752 -19.387 -0.094 1.00 0.00 C ATOM 11 O SER A 2 4.931 -19.998 0.591 1.00 0.00 O ATOM 12 CB SER A 2 5.905 -16.970 -0.721 1.00 0.00 C ATOM 13 OG SER A 2 5.932 -16.100 -1.840 1.00 0.00 O ATOM 0 H SER A 2 3.469 -17.340 -0.829 1.00 0.00 H new ATOM 0 HA SER A 2 5.654 -18.613 -2.083 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.323 -16.517 0.082 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.917 -17.110 -0.341 1.00 0.00 H new ATOM 0 HG SER A 2 6.320 -15.240 -1.576 1.00 0.00 H new ATOM 19 N SER A 3 7.062 -19.600 -0.017 1.00 0.00 N ATOM 20 CA SER A 3 7.622 -20.590 0.896 1.00 0.00 C ATOM 21 C SER A 3 8.422 -19.914 2.005 1.00 0.00 C ATOM 22 O SER A 3 9.450 -19.287 1.752 1.00 0.00 O ATOM 23 CB SER A 3 8.516 -21.569 0.132 1.00 0.00 C ATOM 24 OG SER A 3 7.749 -22.390 -0.734 1.00 0.00 O ATOM 0 H SER A 3 7.755 -19.101 -0.575 1.00 0.00 H new ATOM 0 HA SER A 3 6.797 -21.139 1.349 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.256 -21.016 -0.447 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.065 -22.192 0.838 1.00 0.00 H new ATOM 0 HG SER A 3 8.343 -23.006 -1.212 1.00 0.00 H new ATOM 30 N GLY A 4 7.943 -20.048 3.238 1.00 0.00 N ATOM 31 CA GLY A 4 8.624 -19.445 4.369 1.00 0.00 C ATOM 32 C GLY A 4 7.679 -19.124 5.510 1.00 0.00 C ATOM 33 O GLY A 4 6.821 -19.934 5.862 1.00 0.00 O ATOM 0 H GLY A 4 7.095 -20.564 3.474 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.401 -20.122 4.724 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.121 -18.531 4.045 1.00 0.00 H new ATOM 37 N SER A 5 7.838 -17.941 6.093 1.00 0.00 N ATOM 38 CA SER A 5 6.996 -17.517 7.206 1.00 0.00 C ATOM 39 C SER A 5 5.702 -16.886 6.698 1.00 0.00 C ATOM 40 O SER A 5 5.728 -15.935 5.918 1.00 0.00 O ATOM 41 CB SER A 5 7.749 -16.522 8.091 1.00 0.00 C ATOM 42 OG SER A 5 8.617 -17.194 8.988 1.00 0.00 O ATOM 0 H SER A 5 8.542 -17.258 5.813 1.00 0.00 H new ATOM 0 HA SER A 5 6.743 -18.398 7.796 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.324 -15.838 7.467 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.036 -15.918 8.653 1.00 0.00 H new ATOM 0 HG SER A 5 9.088 -16.537 9.542 1.00 0.00 H new ATOM 48 N SER A 6 4.573 -17.423 7.149 1.00 0.00 N ATOM 49 CA SER A 6 3.270 -16.916 6.739 1.00 0.00 C ATOM 50 C SER A 6 2.568 -16.219 7.901 1.00 0.00 C ATOM 51 O SER A 6 1.727 -16.808 8.577 1.00 0.00 O ATOM 52 CB SER A 6 2.397 -18.059 6.214 1.00 0.00 C ATOM 53 OG SER A 6 2.350 -19.130 7.140 1.00 0.00 O ATOM 0 H SER A 6 4.535 -18.209 7.798 1.00 0.00 H new ATOM 0 HA SER A 6 3.425 -16.189 5.941 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.388 -17.693 6.025 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.791 -18.414 5.262 1.00 0.00 H new ATOM 0 HG SER A 6 2.055 -18.795 8.013 1.00 0.00 H new ATOM 59 N GLY A 7 2.923 -14.957 8.125 1.00 0.00 N ATOM 60 CA GLY A 7 2.319 -14.197 9.204 1.00 0.00 C ATOM 61 C GLY A 7 1.641 -12.933 8.715 1.00 0.00 C ATOM 62 O GLY A 7 2.272 -11.881 8.615 1.00 0.00 O ATOM 0 H GLY A 7 3.618 -14.448 7.579 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.589 -14.821 9.719 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.086 -13.935 9.933 1.00 0.00 H new ATOM 66 N ASP A 8 0.352 -13.035 8.410 1.00 0.00 N ATOM 67 CA ASP A 8 -0.412 -11.891 7.928 1.00 0.00 C ATOM 68 C ASP A 8 -1.727 -11.755 8.690 1.00 0.00 C ATOM 69 O ASP A 8 -2.361 -12.744 9.062 1.00 0.00 O ATOM 70 CB ASP A 8 -0.689 -12.030 6.430 1.00 0.00 C ATOM 71 CG ASP A 8 -0.806 -13.477 5.994 1.00 0.00 C ATOM 72 OD1 ASP A 8 -1.900 -14.058 6.152 1.00 0.00 O ATOM 73 OD2 ASP A 8 0.198 -14.029 5.496 1.00 0.00 O ATOM 0 H ASP A 8 -0.185 -13.898 8.488 1.00 0.00 H new ATOM 0 HA ASP A 8 0.181 -10.992 8.098 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.611 -11.504 6.184 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.112 -11.548 5.869 1.00 0.00 H new ATOM 78 N PRO A 9 -2.147 -10.504 8.929 1.00 0.00 N ATOM 79 CA PRO A 9 -3.388 -10.211 9.651 1.00 0.00 C ATOM 80 C PRO A 9 -4.628 -10.577 8.842 1.00 0.00 C ATOM 81 O PRO A 9 -4.568 -10.791 7.630 1.00 0.00 O ATOM 82 CB PRO A 9 -3.321 -8.698 9.871 1.00 0.00 C ATOM 83 CG PRO A 9 -2.447 -8.194 8.775 1.00 0.00 C ATOM 84 CD PRO A 9 -1.441 -9.280 8.516 1.00 0.00 C ATOM 0 HA PRO A 9 -3.469 -10.786 10.573 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.312 -8.247 9.826 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.906 -8.458 10.850 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.029 -7.979 7.879 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.954 -7.266 9.064 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.152 -9.318 7.466 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.528 -9.128 9.093 1.00 0.00 H new ATOM 92 N PRO A 10 -5.781 -10.649 9.523 1.00 0.00 N ATOM 93 CA PRO A 10 -7.058 -10.988 8.886 1.00 0.00 C ATOM 94 C PRO A 10 -7.558 -9.880 7.967 1.00 0.00 C ATOM 95 O PRO A 10 -8.228 -10.144 6.967 1.00 0.00 O ATOM 96 CB PRO A 10 -8.009 -11.168 10.072 1.00 0.00 C ATOM 97 CG PRO A 10 -7.417 -10.342 11.162 1.00 0.00 C ATOM 98 CD PRO A 10 -5.928 -10.405 10.968 1.00 0.00 C ATOM 0 HA PRO A 10 -6.975 -11.870 8.250 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.017 -10.834 9.825 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.083 -12.215 10.365 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.774 -9.313 11.110 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.699 -10.728 12.141 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.444 -9.476 11.270 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.480 -11.204 11.558 1.00 0.00 H new ATOM 106 N TRP A 11 -7.230 -8.639 8.309 1.00 0.00 N ATOM 107 CA TRP A 11 -7.648 -7.491 7.512 1.00 0.00 C ATOM 108 C TRP A 11 -6.799 -7.365 6.253 1.00 0.00 C ATOM 109 O TRP A 11 -7.124 -6.599 5.348 1.00 0.00 O ATOM 110 CB TRP A 11 -7.548 -6.207 8.339 1.00 0.00 C ATOM 111 CG TRP A 11 -6.161 -5.924 8.832 1.00 0.00 C ATOM 112 CD1 TRP A 11 -5.679 -6.142 10.091 1.00 0.00 C ATOM 113 CD2 TRP A 11 -5.079 -5.370 8.076 1.00 0.00 C ATOM 114 NE1 TRP A 11 -4.361 -5.757 10.163 1.00 0.00 N ATOM 115 CE2 TRP A 11 -3.970 -5.280 8.939 1.00 0.00 C ATOM 116 CE3 TRP A 11 -4.938 -4.943 6.754 1.00 0.00 C ATOM 117 CZ2 TRP A 11 -2.740 -4.780 8.521 1.00 0.00 C ATOM 118 CZ3 TRP A 11 -3.717 -4.446 6.340 1.00 0.00 C ATOM 119 CH2 TRP A 11 -2.630 -4.368 7.221 1.00 0.00 C ATOM 0 H TRP A 11 -6.676 -8.402 9.132 1.00 0.00 H new ATOM 0 HA TRP A 11 -8.685 -7.645 7.215 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -7.889 -5.367 7.735 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -8.222 -6.280 9.193 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.249 -6.556 10.910 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -3.770 -5.817 10.992 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -5.769 -5.000 6.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -1.902 -4.719 9.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.598 -4.112 5.320 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.688 -3.975 6.867 1.00 0.00 H new ATOM 130 N ALA A 12 -5.707 -8.123 6.201 1.00 0.00 N ATOM 131 CA ALA A 12 -4.814 -8.098 5.051 1.00 0.00 C ATOM 132 C ALA A 12 -5.243 -9.115 3.997 1.00 0.00 C ATOM 133 O ALA A 12 -5.725 -10.203 4.312 1.00 0.00 O ATOM 134 CB ALA A 12 -3.381 -8.363 5.490 1.00 0.00 C ATOM 0 H ALA A 12 -5.421 -8.762 6.943 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.869 -7.106 4.603 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.724 -8.341 4.620 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.070 -7.596 6.199 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.321 -9.342 5.966 1.00 0.00 H new ATOM 140 N PRO A 13 -5.067 -8.754 2.719 1.00 0.00 N ATOM 141 CA PRO A 13 -5.432 -9.622 1.595 1.00 0.00 C ATOM 142 C PRO A 13 -4.517 -10.836 1.480 1.00 0.00 C ATOM 143 O PRO A 13 -3.294 -10.712 1.538 1.00 0.00 O ATOM 144 CB PRO A 13 -5.265 -8.712 0.376 1.00 0.00 C ATOM 145 CG PRO A 13 -4.269 -7.687 0.800 1.00 0.00 C ATOM 146 CD PRO A 13 -4.499 -7.471 2.270 1.00 0.00 C ATOM 0 HA PRO A 13 -6.436 -10.031 1.705 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.912 -9.272 -0.490 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.212 -8.251 0.094 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.252 -8.029 0.610 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.402 -6.759 0.243 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.571 -7.238 2.792 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.184 -6.643 2.452 1.00 0.00 H new ATOM 154 N ARG A 14 -5.119 -12.011 1.318 1.00 0.00 N ATOM 155 CA ARG A 14 -4.358 -13.248 1.196 1.00 0.00 C ATOM 156 C ARG A 14 -3.372 -13.168 0.034 1.00 0.00 C ATOM 157 O ARG A 14 -2.238 -13.637 0.136 1.00 0.00 O ATOM 158 CB ARG A 14 -5.301 -14.435 0.998 1.00 0.00 C ATOM 159 CG ARG A 14 -5.810 -15.033 2.299 1.00 0.00 C ATOM 160 CD ARG A 14 -6.915 -16.049 2.052 1.00 0.00 C ATOM 161 NE ARG A 14 -8.221 -15.410 1.911 1.00 0.00 N ATOM 162 CZ ARG A 14 -9.373 -16.060 2.040 1.00 0.00 C ATOM 163 NH1 ARG A 14 -9.381 -17.357 2.313 1.00 0.00 N ATOM 164 NH2 ARG A 14 -10.522 -15.411 1.898 1.00 0.00 N ATOM 0 H ARG A 14 -6.131 -12.131 1.268 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.795 -13.391 2.118 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.153 -14.115 0.397 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.783 -15.208 0.431 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.986 -15.512 2.827 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.183 -14.238 2.944 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.690 -16.618 1.150 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.946 -16.760 2.878 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.250 -14.412 1.702 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.501 -17.860 2.425 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.267 -17.852 2.411 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.521 -14.413 1.690 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.406 -15.911 1.997 1.00 0.00 H new ATOM 178 N SER A 15 -3.814 -12.574 -1.069 1.00 0.00 N ATOM 179 CA SER A 15 -2.972 -12.437 -2.252 1.00 0.00 C ATOM 180 C SER A 15 -2.788 -10.968 -2.621 1.00 0.00 C ATOM 181 O SER A 15 -3.671 -10.142 -2.389 1.00 0.00 O ATOM 182 CB SER A 15 -3.584 -13.196 -3.431 1.00 0.00 C ATOM 183 OG SER A 15 -2.901 -12.903 -4.637 1.00 0.00 O ATOM 0 H SER A 15 -4.750 -12.180 -1.169 1.00 0.00 H new ATOM 0 HA SER A 15 -1.995 -12.862 -2.022 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.543 -14.268 -3.238 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.636 -12.930 -3.532 1.00 0.00 H new ATOM 0 HG SER A 15 -3.311 -13.402 -5.374 1.00 0.00 H new ATOM 189 N TYR A 16 -1.633 -10.650 -3.195 1.00 0.00 N ATOM 190 CA TYR A 16 -1.330 -9.280 -3.594 1.00 0.00 C ATOM 191 C TYR A 16 -0.128 -9.239 -4.533 1.00 0.00 C ATOM 192 O TYR A 16 0.606 -10.221 -4.664 1.00 0.00 O ATOM 193 CB TYR A 16 -1.057 -8.417 -2.361 1.00 0.00 C ATOM 194 CG TYR A 16 -0.056 -9.025 -1.405 1.00 0.00 C ATOM 195 CD1 TYR A 16 1.304 -9.004 -1.686 1.00 0.00 C ATOM 196 CD2 TYR A 16 -0.471 -9.619 -0.219 1.00 0.00 C ATOM 197 CE1 TYR A 16 2.222 -9.559 -0.815 1.00 0.00 C ATOM 198 CE2 TYR A 16 0.439 -10.176 0.658 1.00 0.00 C ATOM 199 CZ TYR A 16 1.785 -10.144 0.355 1.00 0.00 C ATOM 200 OH TYR A 16 2.696 -10.697 1.226 1.00 0.00 O ATOM 0 H TYR A 16 -0.892 -11.321 -3.394 1.00 0.00 H new ATOM 0 HA TYR A 16 -2.196 -8.883 -4.124 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.692 -7.442 -2.684 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.995 -8.247 -1.832 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.650 -8.546 -2.601 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -1.524 -9.645 0.021 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.276 -9.535 -1.049 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.099 -10.634 1.575 1.00 0.00 H new ATOM 0 HH TYR A 16 2.224 -11.066 2.002 1.00 0.00 H new ATOM 210 N LEU A 17 0.068 -8.098 -5.182 1.00 0.00 N ATOM 211 CA LEU A 17 1.182 -7.927 -6.110 1.00 0.00 C ATOM 212 C LEU A 17 2.510 -7.880 -5.362 1.00 0.00 C ATOM 213 O LEU A 17 3.377 -8.730 -5.563 1.00 0.00 O ATOM 214 CB LEU A 17 0.998 -6.648 -6.928 1.00 0.00 C ATOM 215 CG LEU A 17 0.189 -6.787 -8.219 1.00 0.00 C ATOM 216 CD1 LEU A 17 -0.173 -5.418 -8.772 1.00 0.00 C ATOM 217 CD2 LEU A 17 0.964 -7.594 -9.250 1.00 0.00 C ATOM 0 H LEU A 17 -0.529 -7.277 -5.084 1.00 0.00 H new ATOM 0 HA LEU A 17 1.196 -8.783 -6.785 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.512 -5.904 -6.297 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.984 -6.257 -7.181 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.735 -7.319 -7.991 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.748 -5.537 -9.690 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.769 -4.875 -8.038 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.738 -4.859 -8.985 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.373 -7.683 -10.162 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.904 -7.090 -9.474 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.171 -8.588 -8.854 1.00 0.00 H new ATOM 229 N GLU A 18 2.662 -6.880 -4.498 1.00 0.00 N ATOM 230 CA GLU A 18 3.885 -6.724 -3.719 1.00 0.00 C ATOM 231 C GLU A 18 3.596 -6.041 -2.386 1.00 0.00 C ATOM 232 O GLU A 18 2.447 -5.740 -2.064 1.00 0.00 O ATOM 233 CB GLU A 18 4.916 -5.913 -4.507 1.00 0.00 C ATOM 234 CG GLU A 18 4.441 -4.517 -4.875 1.00 0.00 C ATOM 235 CD GLU A 18 5.326 -3.854 -5.912 1.00 0.00 C ATOM 236 OE1 GLU A 18 5.909 -4.580 -6.745 1.00 0.00 O ATOM 237 OE2 GLU A 18 5.437 -2.610 -5.892 1.00 0.00 O ATOM 0 H GLU A 18 1.954 -6.167 -4.320 1.00 0.00 H new ATOM 0 HA GLU A 18 4.289 -7.717 -3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.830 -5.833 -3.918 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.171 -6.453 -5.419 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.421 -4.573 -5.256 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.413 -3.899 -3.978 1.00 0.00 H new ATOM 244 N LYS A 19 4.648 -5.801 -1.610 1.00 0.00 N ATOM 245 CA LYS A 19 4.512 -5.154 -0.311 1.00 0.00 C ATOM 246 C LYS A 19 5.272 -3.833 -0.278 1.00 0.00 C ATOM 247 O LYS A 19 6.336 -3.702 -0.884 1.00 0.00 O ATOM 248 CB LYS A 19 5.023 -6.077 0.798 1.00 0.00 C ATOM 249 CG LYS A 19 4.566 -5.670 2.187 1.00 0.00 C ATOM 250 CD LYS A 19 5.563 -6.099 3.250 1.00 0.00 C ATOM 251 CE LYS A 19 5.804 -7.601 3.216 1.00 0.00 C ATOM 252 NZ LYS A 19 4.528 -8.368 3.225 1.00 0.00 N ATOM 0 H LYS A 19 5.606 -6.046 -1.860 1.00 0.00 H new ATOM 0 HA LYS A 19 3.455 -4.948 -0.145 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.685 -7.094 0.597 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.113 -6.092 0.773 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.435 -4.589 2.225 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.594 -6.117 2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.506 -5.575 3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.193 -5.811 4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.375 -7.857 2.324 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.408 -7.891 4.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.725 -9.367 3.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.893 -7.977 3.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.074 -8.297 2.292 1.00 0.00 H new ATOM 266 N VAL A 20 4.720 -2.855 0.434 1.00 0.00 N ATOM 267 CA VAL A 20 5.348 -1.544 0.549 1.00 0.00 C ATOM 268 C VAL A 20 5.168 -0.968 1.947 1.00 0.00 C ATOM 269 O VAL A 20 4.205 -1.292 2.644 1.00 0.00 O ATOM 270 CB VAL A 20 4.771 -0.554 -0.481 1.00 0.00 C ATOM 271 CG1 VAL A 20 4.967 -1.078 -1.895 1.00 0.00 C ATOM 272 CG2 VAL A 20 3.300 -0.292 -0.200 1.00 0.00 C ATOM 0 H VAL A 20 3.839 -2.946 0.940 1.00 0.00 H new ATOM 0 HA VAL A 20 6.411 -1.684 0.352 1.00 0.00 H new ATOM 0 HB VAL A 20 5.309 0.390 -0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.553 -0.365 -2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.031 -1.210 -2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.457 -2.036 -2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.908 0.409 -0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.746 -1.229 -0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.190 0.131 0.798 1.00 0.00 H new ATOM 282 N VAL A 21 6.101 -0.113 2.355 1.00 0.00 N ATOM 283 CA VAL A 21 6.044 0.510 3.673 1.00 0.00 C ATOM 284 C VAL A 21 6.166 2.026 3.568 1.00 0.00 C ATOM 285 O VAL A 21 7.196 2.549 3.145 1.00 0.00 O ATOM 286 CB VAL A 21 7.159 -0.022 4.593 1.00 0.00 C ATOM 287 CG1 VAL A 21 8.515 0.098 3.914 1.00 0.00 C ATOM 288 CG2 VAL A 21 7.151 0.719 5.922 1.00 0.00 C ATOM 0 H VAL A 21 6.905 0.164 1.792 1.00 0.00 H new ATOM 0 HA VAL A 21 5.076 0.255 4.104 1.00 0.00 H new ATOM 0 HB VAL A 21 6.971 -1.077 4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.290 -0.283 4.579 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.512 -0.482 2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.716 1.145 3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.945 0.331 6.560 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.314 1.782 5.747 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.188 0.575 6.413 1.00 0.00 H new ATOM 298 N ALA A 22 5.106 2.727 3.959 1.00 0.00 N ATOM 299 CA ALA A 22 5.094 4.183 3.913 1.00 0.00 C ATOM 300 C ALA A 22 6.314 4.765 4.621 1.00 0.00 C ATOM 301 O ALA A 22 6.710 4.289 5.685 1.00 0.00 O ATOM 302 CB ALA A 22 3.814 4.722 4.535 1.00 0.00 C ATOM 0 H ALA A 22 4.245 2.309 4.311 1.00 0.00 H new ATOM 0 HA ALA A 22 5.133 4.488 2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.820 5.811 4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.954 4.342 3.984 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.750 4.399 5.574 1.00 0.00 H new ATOM 308 N ILE A 23 6.902 5.796 4.024 1.00 0.00 N ATOM 309 CA ILE A 23 8.077 6.442 4.599 1.00 0.00 C ATOM 310 C ILE A 23 7.762 7.869 5.033 1.00 0.00 C ATOM 311 O ILE A 23 8.415 8.418 5.921 1.00 0.00 O ATOM 312 CB ILE A 23 9.249 6.467 3.601 1.00 0.00 C ATOM 313 CG1 ILE A 23 8.746 6.807 2.197 1.00 0.00 C ATOM 314 CG2 ILE A 23 9.975 5.130 3.601 1.00 0.00 C ATOM 315 CD1 ILE A 23 9.856 7.028 1.194 1.00 0.00 C ATOM 0 H ILE A 23 6.585 6.202 3.144 1.00 0.00 H new ATOM 0 HA ILE A 23 8.366 5.855 5.471 1.00 0.00 H new ATOM 0 HB ILE A 23 9.953 7.240 3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.104 5.999 1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.130 7.705 2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.801 5.164 2.890 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.363 4.927 4.599 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.282 4.339 3.314 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.425 7.265 0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.485 7.855 1.524 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.459 6.124 1.113 1.00 0.00 H new ATOM 327 N TYR A 24 6.754 8.464 4.403 1.00 0.00 N ATOM 328 CA TYR A 24 6.352 9.828 4.725 1.00 0.00 C ATOM 329 C TYR A 24 4.864 9.894 5.056 1.00 0.00 C ATOM 330 O TYR A 24 4.094 9.009 4.681 1.00 0.00 O ATOM 331 CB TYR A 24 6.668 10.763 3.556 1.00 0.00 C ATOM 332 CG TYR A 24 8.147 10.999 3.351 1.00 0.00 C ATOM 333 CD1 TYR A 24 8.950 11.443 4.394 1.00 0.00 C ATOM 334 CD2 TYR A 24 8.741 10.778 2.115 1.00 0.00 C ATOM 335 CE1 TYR A 24 10.302 11.661 4.211 1.00 0.00 C ATOM 336 CE2 TYR A 24 10.092 10.992 1.924 1.00 0.00 C ATOM 337 CZ TYR A 24 10.868 11.433 2.976 1.00 0.00 C ATOM 338 OH TYR A 24 12.215 11.648 2.789 1.00 0.00 O ATOM 0 H TYR A 24 6.201 8.023 3.668 1.00 0.00 H new ATOM 0 HA TYR A 24 6.915 10.149 5.602 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.246 10.344 2.643 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.176 11.721 3.725 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.510 11.621 5.364 1.00 0.00 H new ATOM 0 HD2 TYR A 24 8.136 10.433 1.289 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.912 12.008 5.032 1.00 0.00 H new ATOM 0 HE2 TYR A 24 10.538 10.815 0.957 1.00 0.00 H new ATOM 0 HH TYR A 24 12.454 11.439 1.862 1.00 0.00 H new ATOM 348 N ASP A 25 4.467 10.948 5.759 1.00 0.00 N ATOM 349 CA ASP A 25 3.072 11.132 6.140 1.00 0.00 C ATOM 350 C ASP A 25 2.240 11.597 4.949 1.00 0.00 C ATOM 351 O ASP A 25 2.582 12.576 4.284 1.00 0.00 O ATOM 352 CB ASP A 25 2.962 12.144 7.281 1.00 0.00 C ATOM 353 CG ASP A 25 3.812 11.763 8.478 1.00 0.00 C ATOM 354 OD1 ASP A 25 3.953 10.551 8.743 1.00 0.00 O ATOM 355 OD2 ASP A 25 4.336 12.677 9.148 1.00 0.00 O ATOM 0 H ASP A 25 5.092 11.689 6.077 1.00 0.00 H new ATOM 0 HA ASP A 25 2.684 10.171 6.478 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.266 13.127 6.921 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.920 12.226 7.590 1.00 0.00 H new ATOM 360 N TYR A 26 1.147 10.889 4.685 1.00 0.00 N ATOM 361 CA TYR A 26 0.268 11.227 3.572 1.00 0.00 C ATOM 362 C TYR A 26 -1.190 11.262 4.019 1.00 0.00 C ATOM 363 O TYR A 26 -1.785 10.226 4.317 1.00 0.00 O ATOM 364 CB TYR A 26 0.441 10.219 2.434 1.00 0.00 C ATOM 365 CG TYR A 26 -0.431 10.507 1.233 1.00 0.00 C ATOM 366 CD1 TYR A 26 -0.081 11.490 0.316 1.00 0.00 C ATOM 367 CD2 TYR A 26 -1.604 9.794 1.015 1.00 0.00 C ATOM 368 CE1 TYR A 26 -0.875 11.757 -0.783 1.00 0.00 C ATOM 369 CE2 TYR A 26 -2.403 10.054 -0.082 1.00 0.00 C ATOM 370 CZ TYR A 26 -2.035 11.036 -0.977 1.00 0.00 C ATOM 371 OH TYR A 26 -2.828 11.298 -2.072 1.00 0.00 O ATOM 0 H TYR A 26 0.849 10.078 5.227 1.00 0.00 H new ATOM 0 HA TYR A 26 0.542 12.219 3.214 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.485 10.212 2.121 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.214 9.220 2.807 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.827 12.055 0.465 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.896 9.024 1.714 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.589 12.526 -1.486 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.311 9.491 -0.238 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.464 10.563 -2.198 1.00 0.00 H new ATOM 381 N THR A 27 -1.759 12.463 4.064 1.00 0.00 N ATOM 382 CA THR A 27 -3.147 12.634 4.475 1.00 0.00 C ATOM 383 C THR A 27 -4.082 12.635 3.271 1.00 0.00 C ATOM 384 O THR A 27 -4.080 13.572 2.472 1.00 0.00 O ATOM 385 CB THR A 27 -3.341 13.944 5.263 1.00 0.00 C ATOM 386 OG1 THR A 27 -2.358 14.042 6.299 1.00 0.00 O ATOM 387 CG2 THR A 27 -4.735 14.007 5.870 1.00 0.00 C ATOM 0 H THR A 27 -1.280 13.330 3.821 1.00 0.00 H new ATOM 0 HA THR A 27 -3.392 11.790 5.120 1.00 0.00 H new ATOM 0 HB THR A 27 -3.224 14.780 4.573 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.487 14.878 6.794 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.850 14.940 6.422 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.480 13.961 5.076 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.875 13.165 6.548 1.00 0.00 H new ATOM 395 N LYS A 28 -4.880 11.581 3.146 1.00 0.00 N ATOM 396 CA LYS A 28 -5.822 11.459 2.039 1.00 0.00 C ATOM 397 C LYS A 28 -6.796 12.633 2.024 1.00 0.00 C ATOM 398 O LYS A 28 -7.014 13.284 3.046 1.00 0.00 O ATOM 399 CB LYS A 28 -6.596 10.143 2.142 1.00 0.00 C ATOM 400 CG LYS A 28 -7.575 10.102 3.303 1.00 0.00 C ATOM 401 CD LYS A 28 -8.923 10.686 2.916 1.00 0.00 C ATOM 402 CE LYS A 28 -10.034 10.169 3.819 1.00 0.00 C ATOM 403 NZ LYS A 28 -9.966 10.772 5.179 1.00 0.00 N ATOM 0 H LYS A 28 -4.894 10.797 3.799 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.254 11.467 1.109 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.141 9.978 1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.887 9.322 2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.705 9.072 3.634 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.165 10.658 4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.880 11.774 2.976 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.147 10.432 1.880 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.002 10.393 3.370 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.963 9.084 3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.739 10.395 5.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.053 10.537 5.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.059 11.805 5.106 1.00 0.00 H new ATOM 417 N ASP A 29 -7.379 12.896 0.861 1.00 0.00 N ATOM 418 CA ASP A 29 -8.333 13.991 0.712 1.00 0.00 C ATOM 419 C ASP A 29 -9.764 13.467 0.706 1.00 0.00 C ATOM 420 O ASP A 29 -10.641 14.015 1.375 1.00 0.00 O ATOM 421 CB ASP A 29 -8.054 14.767 -0.575 1.00 0.00 C ATOM 422 CG ASP A 29 -8.792 16.090 -0.625 1.00 0.00 C ATOM 423 OD1 ASP A 29 -10.040 16.075 -0.587 1.00 0.00 O ATOM 424 OD2 ASP A 29 -8.123 17.142 -0.702 1.00 0.00 O ATOM 0 H ASP A 29 -7.209 12.366 0.006 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.215 14.662 1.563 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.983 14.948 -0.661 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.345 14.160 -1.432 1.00 0.00 H new ATOM 429 N LYS A 30 -9.997 12.404 -0.057 1.00 0.00 N ATOM 430 CA LYS A 30 -11.322 11.804 -0.151 1.00 0.00 C ATOM 431 C LYS A 30 -11.260 10.301 0.111 1.00 0.00 C ATOM 432 O LYS A 30 -10.219 9.673 -0.074 1.00 0.00 O ATOM 433 CB LYS A 30 -11.926 12.067 -1.533 1.00 0.00 C ATOM 434 CG LYS A 30 -11.008 11.687 -2.681 1.00 0.00 C ATOM 435 CD LYS A 30 -11.349 12.454 -3.946 1.00 0.00 C ATOM 436 CE LYS A 30 -10.531 11.968 -5.132 1.00 0.00 C ATOM 437 NZ LYS A 30 -10.912 12.663 -6.393 1.00 0.00 N ATOM 0 H LYS A 30 -9.284 11.940 -0.620 1.00 0.00 H new ATOM 0 HA LYS A 30 -11.955 12.261 0.609 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.858 11.510 -1.625 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.178 13.124 -1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.973 11.886 -2.402 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.086 10.617 -2.871 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.411 12.342 -4.165 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.166 13.517 -3.788 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.472 12.131 -4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.671 10.894 -5.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.331 12.303 -7.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.916 12.487 -6.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.755 13.686 -6.287 1.00 0.00 H new ATOM 451 N GLU A 31 -12.383 9.734 0.539 1.00 0.00 N ATOM 452 CA GLU A 31 -12.454 8.305 0.824 1.00 0.00 C ATOM 453 C GLU A 31 -11.768 7.497 -0.271 1.00 0.00 C ATOM 454 O GLU A 31 -11.194 6.439 -0.010 1.00 0.00 O ATOM 455 CB GLU A 31 -13.913 7.863 0.962 1.00 0.00 C ATOM 456 CG GLU A 31 -14.752 8.135 -0.275 1.00 0.00 C ATOM 457 CD GLU A 31 -16.222 7.837 -0.060 1.00 0.00 C ATOM 458 OE1 GLU A 31 -16.552 6.675 0.258 1.00 0.00 O ATOM 459 OE2 GLU A 31 -17.044 8.767 -0.209 1.00 0.00 O ATOM 0 H GLU A 31 -13.254 10.240 0.696 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.935 8.122 1.765 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.941 6.796 1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.360 8.376 1.814 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.636 9.179 -0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -14.380 7.530 -1.102 1.00 0.00 H new ATOM 466 N ASP A 32 -11.830 8.002 -1.499 1.00 0.00 N ATOM 467 CA ASP A 32 -11.215 7.327 -2.637 1.00 0.00 C ATOM 468 C ASP A 32 -9.738 7.049 -2.369 1.00 0.00 C ATOM 469 O ASP A 32 -9.235 5.969 -2.678 1.00 0.00 O ATOM 470 CB ASP A 32 -11.365 8.173 -3.902 1.00 0.00 C ATOM 471 CG ASP A 32 -12.727 8.836 -3.995 1.00 0.00 C ATOM 472 OD1 ASP A 32 -13.705 8.257 -3.479 1.00 0.00 O ATOM 473 OD2 ASP A 32 -12.812 9.934 -4.585 1.00 0.00 O ATOM 0 H ASP A 32 -12.300 8.877 -1.732 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.726 6.375 -2.783 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.589 8.938 -3.918 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.210 7.543 -4.778 1.00 0.00 H new ATOM 478 N GLU A 33 -9.051 8.031 -1.793 1.00 0.00 N ATOM 479 CA GLU A 33 -7.633 7.891 -1.487 1.00 0.00 C ATOM 480 C GLU A 33 -7.431 7.116 -0.187 1.00 0.00 C ATOM 481 O GLU A 33 -8.395 6.721 0.471 1.00 0.00 O ATOM 482 CB GLU A 33 -6.974 9.268 -1.380 1.00 0.00 C ATOM 483 CG GLU A 33 -6.465 9.803 -2.708 1.00 0.00 C ATOM 484 CD GLU A 33 -7.515 10.597 -3.458 1.00 0.00 C ATOM 485 OE1 GLU A 33 -7.698 11.791 -3.140 1.00 0.00 O ATOM 486 OE2 GLU A 33 -8.157 10.024 -4.363 1.00 0.00 O ATOM 0 H GLU A 33 -9.453 8.931 -1.530 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.165 7.334 -2.299 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.693 9.974 -0.965 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.142 9.210 -0.678 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.595 10.435 -2.531 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.133 8.970 -3.328 1.00 0.00 H new ATOM 493 N LEU A 34 -6.171 6.903 0.178 1.00 0.00 N ATOM 494 CA LEU A 34 -5.841 6.174 1.397 1.00 0.00 C ATOM 495 C LEU A 34 -4.954 7.016 2.310 1.00 0.00 C ATOM 496 O LEU A 34 -4.060 7.721 1.844 1.00 0.00 O ATOM 497 CB LEU A 34 -5.139 4.859 1.056 1.00 0.00 C ATOM 498 CG LEU A 34 -5.333 3.717 2.054 1.00 0.00 C ATOM 499 CD1 LEU A 34 -4.723 2.430 1.516 1.00 0.00 C ATOM 500 CD2 LEU A 34 -4.723 4.075 3.400 1.00 0.00 C ATOM 0 H LEU A 34 -5.362 7.225 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.770 5.955 1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.490 4.525 0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.071 5.054 0.961 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.403 3.559 2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.870 1.628 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.206 2.164 0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.656 2.576 1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.871 3.250 4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.656 4.260 3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.205 4.971 3.791 1.00 0.00 H new ATOM 512 N SER A 35 -5.206 6.933 3.613 1.00 0.00 N ATOM 513 CA SER A 35 -4.432 7.688 4.590 1.00 0.00 C ATOM 514 C SER A 35 -3.562 6.757 5.430 1.00 0.00 C ATOM 515 O SER A 35 -4.048 5.778 5.997 1.00 0.00 O ATOM 516 CB SER A 35 -5.363 8.491 5.500 1.00 0.00 C ATOM 517 OG SER A 35 -6.181 7.635 6.276 1.00 0.00 O ATOM 0 H SER A 35 -5.940 6.350 4.016 1.00 0.00 H new ATOM 0 HA SER A 35 -3.782 8.376 4.049 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.772 9.129 6.157 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.989 9.148 4.896 1.00 0.00 H new ATOM 0 HG SER A 35 -5.738 6.767 6.383 1.00 0.00 H new ATOM 523 N PHE A 36 -2.273 7.069 5.504 1.00 0.00 N ATOM 524 CA PHE A 36 -1.333 6.261 6.273 1.00 0.00 C ATOM 525 C PHE A 36 -0.196 7.119 6.817 1.00 0.00 C ATOM 526 O PHE A 36 -0.028 8.272 6.418 1.00 0.00 O ATOM 527 CB PHE A 36 -0.767 5.135 5.405 1.00 0.00 C ATOM 528 CG PHE A 36 -0.221 5.610 4.088 1.00 0.00 C ATOM 529 CD1 PHE A 36 0.893 6.432 4.042 1.00 0.00 C ATOM 530 CD2 PHE A 36 -0.822 5.234 2.899 1.00 0.00 C ATOM 531 CE1 PHE A 36 1.397 6.870 2.832 1.00 0.00 C ATOM 532 CE2 PHE A 36 -0.323 5.669 1.685 1.00 0.00 C ATOM 533 CZ PHE A 36 0.789 6.488 1.652 1.00 0.00 C ATOM 0 H PHE A 36 -1.855 7.876 5.041 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.871 5.826 7.115 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.024 4.626 5.955 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.551 4.400 5.221 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.373 6.734 4.961 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.691 4.593 2.920 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.266 7.511 2.809 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.802 5.369 0.764 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.182 6.829 0.706 1.00 0.00 H new ATOM 543 N GLN A 37 0.583 6.550 7.731 1.00 0.00 N ATOM 544 CA GLN A 37 1.704 7.263 8.332 1.00 0.00 C ATOM 545 C GLN A 37 3.015 6.527 8.082 1.00 0.00 C ATOM 546 O GLN A 37 3.021 5.326 7.815 1.00 0.00 O ATOM 547 CB GLN A 37 1.480 7.435 9.836 1.00 0.00 C ATOM 548 CG GLN A 37 1.351 6.118 10.585 1.00 0.00 C ATOM 549 CD GLN A 37 1.483 6.287 12.086 1.00 0.00 C ATOM 550 OE1 GLN A 37 0.486 6.405 12.798 1.00 0.00 O ATOM 551 NE2 GLN A 37 2.716 6.299 12.575 1.00 0.00 N ATOM 0 H GLN A 37 0.458 5.597 8.072 1.00 0.00 H new ATOM 0 HA GLN A 37 1.767 8.247 7.867 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.310 8.003 10.256 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.577 8.025 9.996 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.385 5.668 10.357 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.116 5.427 10.232 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.514 6.198 11.948 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.866 6.409 13.578 1.00 0.00 H new ATOM 560 N GLU A 38 4.124 7.256 8.170 1.00 0.00 N ATOM 561 CA GLU A 38 5.441 6.669 7.952 1.00 0.00 C ATOM 562 C GLU A 38 5.630 5.421 8.809 1.00 0.00 C ATOM 563 O GLU A 38 5.984 5.509 9.983 1.00 0.00 O ATOM 564 CB GLU A 38 6.536 7.690 8.269 1.00 0.00 C ATOM 565 CG GLU A 38 7.920 7.077 8.401 1.00 0.00 C ATOM 566 CD GLU A 38 8.961 8.080 8.859 1.00 0.00 C ATOM 567 OE1 GLU A 38 9.141 8.232 10.086 1.00 0.00 O ATOM 568 OE2 GLU A 38 9.596 8.712 7.990 1.00 0.00 O ATOM 0 H GLU A 38 4.136 8.252 8.390 1.00 0.00 H new ATOM 0 HA GLU A 38 5.514 6.382 6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.556 8.445 7.483 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.285 8.203 9.197 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.881 6.250 9.110 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.221 6.659 7.440 1.00 0.00 H new ATOM 575 N GLY A 39 5.391 4.258 8.210 1.00 0.00 N ATOM 576 CA GLY A 39 5.540 3.008 8.934 1.00 0.00 C ATOM 577 C GLY A 39 4.327 2.110 8.793 1.00 0.00 C ATOM 578 O GLY A 39 3.971 1.388 9.724 1.00 0.00 O ATOM 0 H GLY A 39 5.097 4.159 7.238 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.422 2.482 8.568 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.710 3.221 9.989 1.00 0.00 H new ATOM 582 N ALA A 40 3.690 2.155 7.628 1.00 0.00 N ATOM 583 CA ALA A 40 2.510 1.339 7.369 1.00 0.00 C ATOM 584 C ALA A 40 2.736 0.411 6.179 1.00 0.00 C ATOM 585 O ALA A 40 3.074 0.861 5.084 1.00 0.00 O ATOM 586 CB ALA A 40 1.298 2.226 7.127 1.00 0.00 C ATOM 0 H ALA A 40 3.971 2.748 6.848 1.00 0.00 H new ATOM 0 HA ALA A 40 2.324 0.722 8.248 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.424 1.604 6.935 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.117 2.843 8.007 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.483 2.868 6.265 1.00 0.00 H new ATOM 592 N ILE A 41 2.546 -0.885 6.403 1.00 0.00 N ATOM 593 CA ILE A 41 2.729 -1.875 5.348 1.00 0.00 C ATOM 594 C ILE A 41 1.487 -1.974 4.467 1.00 0.00 C ATOM 595 O ILE A 41 0.499 -2.606 4.840 1.00 0.00 O ATOM 596 CB ILE A 41 3.043 -3.267 5.931 1.00 0.00 C ATOM 597 CG1 ILE A 41 4.348 -3.226 6.729 1.00 0.00 C ATOM 598 CG2 ILE A 41 3.128 -4.299 4.818 1.00 0.00 C ATOM 599 CD1 ILE A 41 4.259 -2.393 7.990 1.00 0.00 C ATOM 0 H ILE A 41 2.266 -1.274 7.304 1.00 0.00 H new ATOM 0 HA ILE A 41 3.574 -1.543 4.745 1.00 0.00 H new ATOM 0 HB ILE A 41 2.236 -3.554 6.605 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.634 -4.244 6.995 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.140 -2.827 6.095 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.350 -5.277 5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.176 -4.342 4.288 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.918 -4.019 4.122 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.220 -2.409 8.505 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.003 -1.366 7.730 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.490 -2.804 8.644 1.00 0.00 H new ATOM 611 N ILE A 42 1.549 -1.349 3.296 1.00 0.00 N ATOM 612 CA ILE A 42 0.432 -1.368 2.361 1.00 0.00 C ATOM 613 C ILE A 42 0.606 -2.470 1.321 1.00 0.00 C ATOM 614 O ILE A 42 1.601 -2.505 0.598 1.00 0.00 O ATOM 615 CB ILE A 42 0.278 -0.017 1.639 1.00 0.00 C ATOM 616 CG1 ILE A 42 0.167 1.120 2.657 1.00 0.00 C ATOM 617 CG2 ILE A 42 -0.941 -0.039 0.728 1.00 0.00 C ATOM 618 CD1 ILE A 42 0.588 2.465 2.108 1.00 0.00 C ATOM 0 H ILE A 42 2.361 -0.823 2.973 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.467 -1.561 2.947 1.00 0.00 H new ATOM 0 HB ILE A 42 1.163 0.153 1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.864 1.185 3.006 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.783 0.882 3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.036 0.923 0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.825 -0.828 -0.015 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.835 -0.228 1.322 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.483 3.224 2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.628 2.417 1.785 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.044 2.725 1.259 1.00 0.00 H new ATOM 630 N TYR A 43 -0.370 -3.369 1.251 1.00 0.00 N ATOM 631 CA TYR A 43 -0.325 -4.473 0.300 1.00 0.00 C ATOM 632 C TYR A 43 -0.844 -4.037 -1.067 1.00 0.00 C ATOM 633 O TYR A 43 -2.050 -4.012 -1.307 1.00 0.00 O ATOM 634 CB TYR A 43 -1.151 -5.653 0.817 1.00 0.00 C ATOM 635 CG TYR A 43 -0.599 -6.268 2.084 1.00 0.00 C ATOM 636 CD1 TYR A 43 0.563 -7.031 2.059 1.00 0.00 C ATOM 637 CD2 TYR A 43 -1.239 -6.088 3.304 1.00 0.00 C ATOM 638 CE1 TYR A 43 1.070 -7.597 3.212 1.00 0.00 C ATOM 639 CE2 TYR A 43 -0.738 -6.650 4.462 1.00 0.00 C ATOM 640 CZ TYR A 43 0.417 -7.402 4.412 1.00 0.00 C ATOM 641 OH TYR A 43 0.919 -7.962 5.564 1.00 0.00 O ATOM 0 H TYR A 43 -1.202 -3.355 1.841 1.00 0.00 H new ATOM 0 HA TYR A 43 0.714 -4.783 0.192 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.172 -5.319 1.000 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.200 -6.419 0.043 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.078 -7.184 1.122 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.143 -5.499 3.348 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.973 -8.189 3.175 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -1.248 -6.501 5.402 1.00 0.00 H new ATOM 0 HH TYR A 43 0.341 -7.728 6.320 1.00 0.00 H new ATOM 651 N VAL A 44 0.079 -3.693 -1.960 1.00 0.00 N ATOM 652 CA VAL A 44 -0.282 -3.259 -3.304 1.00 0.00 C ATOM 653 C VAL A 44 -0.959 -4.382 -4.082 1.00 0.00 C ATOM 654 O VAL A 44 -0.482 -5.517 -4.093 1.00 0.00 O ATOM 655 CB VAL A 44 0.952 -2.777 -4.090 1.00 0.00 C ATOM 656 CG1 VAL A 44 0.599 -2.550 -5.552 1.00 0.00 C ATOM 657 CG2 VAL A 44 1.519 -1.510 -3.466 1.00 0.00 C ATOM 0 H VAL A 44 1.082 -3.707 -1.777 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.978 -2.428 -3.191 1.00 0.00 H new ATOM 0 HB VAL A 44 1.717 -3.552 -4.043 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.483 -2.210 -6.091 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.244 -3.483 -5.990 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.183 -1.794 -5.624 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.390 -1.183 -4.034 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.761 -0.726 -3.481 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.812 -1.712 -2.436 1.00 0.00 H new ATOM 667 N ILE A 45 -2.072 -4.059 -4.731 1.00 0.00 N ATOM 668 CA ILE A 45 -2.813 -5.041 -5.513 1.00 0.00 C ATOM 669 C ILE A 45 -3.059 -4.541 -6.932 1.00 0.00 C ATOM 670 O ILE A 45 -3.164 -5.332 -7.871 1.00 0.00 O ATOM 671 CB ILE A 45 -4.166 -5.376 -4.857 1.00 0.00 C ATOM 672 CG1 ILE A 45 -4.827 -4.107 -4.322 1.00 0.00 C ATOM 673 CG2 ILE A 45 -3.976 -6.393 -3.742 1.00 0.00 C ATOM 674 CD1 ILE A 45 -6.237 -4.324 -3.819 1.00 0.00 C ATOM 0 H ILE A 45 -2.481 -3.125 -4.731 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.202 -5.943 -5.549 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.821 -5.812 -5.612 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.219 -3.705 -3.512 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.843 -3.356 -5.111 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.941 -6.620 -3.288 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.544 -7.306 -4.152 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.307 -5.983 -2.986 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.643 -3.380 -3.455 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.860 -4.697 -4.632 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.226 -5.052 -3.007 1.00 0.00 H new ATOM 686 N LYS A 46 -3.148 -3.224 -7.083 1.00 0.00 N ATOM 687 CA LYS A 46 -3.377 -2.617 -8.389 1.00 0.00 C ATOM 688 C LYS A 46 -2.453 -1.421 -8.604 1.00 0.00 C ATOM 689 O LYS A 46 -2.086 -0.730 -7.654 1.00 0.00 O ATOM 690 CB LYS A 46 -4.837 -2.175 -8.518 1.00 0.00 C ATOM 691 CG LYS A 46 -5.757 -3.264 -9.040 1.00 0.00 C ATOM 692 CD LYS A 46 -7.170 -3.106 -8.502 1.00 0.00 C ATOM 693 CE LYS A 46 -7.944 -2.046 -9.272 1.00 0.00 C ATOM 694 NZ LYS A 46 -7.565 -0.668 -8.855 1.00 0.00 N ATOM 0 H LYS A 46 -3.065 -2.556 -6.317 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.159 -3.364 -9.152 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.195 -1.844 -7.543 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.890 -1.315 -9.186 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.776 -3.234 -10.129 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.365 -4.240 -8.755 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.694 -4.060 -8.567 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.131 -2.835 -7.447 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.759 -2.166 -10.340 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.013 -2.192 -9.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.371 -0.215 -8.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.758 -0.713 -8.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.301 -0.112 -9.693 1.00 0.00 H new ATOM 708 N LYS A 47 -2.083 -1.185 -9.857 1.00 0.00 N ATOM 709 CA LYS A 47 -1.203 -0.073 -10.198 1.00 0.00 C ATOM 710 C LYS A 47 -1.712 0.664 -11.432 1.00 0.00 C ATOM 711 O LYS A 47 -1.589 0.175 -12.553 1.00 0.00 O ATOM 712 CB LYS A 47 0.220 -0.578 -10.443 1.00 0.00 C ATOM 713 CG LYS A 47 1.016 -0.799 -9.169 1.00 0.00 C ATOM 714 CD LYS A 47 2.504 -0.583 -9.396 1.00 0.00 C ATOM 715 CE LYS A 47 3.124 -1.737 -10.168 1.00 0.00 C ATOM 716 NZ LYS A 47 2.798 -1.672 -11.619 1.00 0.00 N ATOM 0 H LYS A 47 -2.379 -1.749 -10.654 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.195 0.622 -9.359 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.173 -1.514 -10.999 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.748 0.140 -11.071 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.662 -0.118 -8.395 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.846 -1.812 -8.804 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.658 0.347 -9.944 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.008 -0.474 -8.435 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.206 -1.721 -10.038 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.767 -2.682 -9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.625 -1.971 -12.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.997 -2.303 -11.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.544 -0.696 -11.874 1.00 0.00 H new ATOM 730 N ASN A 48 -2.284 1.846 -11.215 1.00 0.00 N ATOM 731 CA ASN A 48 -2.811 2.652 -12.311 1.00 0.00 C ATOM 732 C ASN A 48 -1.685 3.144 -13.215 1.00 0.00 C ATOM 733 O ASN A 48 -0.507 3.002 -12.889 1.00 0.00 O ATOM 734 CB ASN A 48 -3.599 3.843 -11.763 1.00 0.00 C ATOM 735 CG ASN A 48 -4.870 3.419 -11.053 1.00 0.00 C ATOM 736 OD1 ASN A 48 -5.350 2.300 -11.232 1.00 0.00 O ATOM 737 ND2 ASN A 48 -5.420 4.314 -10.240 1.00 0.00 N ATOM 0 H ASN A 48 -2.394 2.265 -10.292 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.479 2.025 -12.902 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.970 4.404 -11.072 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.851 4.516 -12.582 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.275 4.085 -9.734 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.987 5.230 -10.122 1.00 0.00 H new ATOM 744 N ASP A 49 -2.056 3.722 -14.352 1.00 0.00 N ATOM 745 CA ASP A 49 -1.078 4.237 -15.303 1.00 0.00 C ATOM 746 C ASP A 49 -0.067 5.140 -14.605 1.00 0.00 C ATOM 747 O ASP A 49 1.141 4.926 -14.703 1.00 0.00 O ATOM 748 CB ASP A 49 -1.781 5.008 -16.423 1.00 0.00 C ATOM 749 CG ASP A 49 -0.903 5.177 -17.646 1.00 0.00 C ATOM 750 OD1 ASP A 49 0.034 6.002 -17.594 1.00 0.00 O ATOM 751 OD2 ASP A 49 -1.153 4.488 -18.657 1.00 0.00 O ATOM 0 H ASP A 49 -3.027 3.846 -14.638 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.545 3.390 -15.735 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.694 4.483 -16.704 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.078 5.990 -16.054 1.00 0.00 H new ATOM 756 N ASP A 50 -0.567 6.151 -13.903 1.00 0.00 N ATOM 757 CA ASP A 50 0.293 7.087 -13.191 1.00 0.00 C ATOM 758 C ASP A 50 0.672 6.539 -11.818 1.00 0.00 C ATOM 759 O ASP A 50 0.185 5.488 -11.402 1.00 0.00 O ATOM 760 CB ASP A 50 -0.404 8.440 -13.038 1.00 0.00 C ATOM 761 CG ASP A 50 -0.576 9.156 -14.363 1.00 0.00 C ATOM 762 OD1 ASP A 50 0.392 9.802 -14.818 1.00 0.00 O ATOM 763 OD2 ASP A 50 -1.675 9.068 -14.948 1.00 0.00 O ATOM 0 H ASP A 50 -1.565 6.343 -13.812 1.00 0.00 H new ATOM 0 HA ASP A 50 1.204 7.221 -13.775 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.381 8.292 -12.579 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.174 9.069 -12.361 1.00 0.00 H new ATOM 768 N GLY A 51 1.544 7.258 -11.119 1.00 0.00 N ATOM 769 CA GLY A 51 1.974 6.828 -9.801 1.00 0.00 C ATOM 770 C GLY A 51 0.823 6.723 -8.821 1.00 0.00 C ATOM 771 O GLY A 51 0.651 7.587 -7.961 1.00 0.00 O ATOM 0 H GLY A 51 1.961 8.131 -11.442 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.468 5.860 -9.881 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.712 7.531 -9.416 1.00 0.00 H new ATOM 775 N TRP A 52 0.034 5.664 -8.950 1.00 0.00 N ATOM 776 CA TRP A 52 -1.109 5.451 -8.069 1.00 0.00 C ATOM 777 C TRP A 52 -1.483 3.974 -8.010 1.00 0.00 C ATOM 778 O TRP A 52 -2.003 3.416 -8.977 1.00 0.00 O ATOM 779 CB TRP A 52 -2.307 6.273 -8.544 1.00 0.00 C ATOM 780 CG TRP A 52 -2.151 7.745 -8.305 1.00 0.00 C ATOM 781 CD1 TRP A 52 -1.650 8.669 -9.177 1.00 0.00 C ATOM 782 CD2 TRP A 52 -2.492 8.460 -7.112 1.00 0.00 C ATOM 783 NE1 TRP A 52 -1.661 9.915 -8.600 1.00 0.00 N ATOM 784 CE2 TRP A 52 -2.173 9.814 -7.335 1.00 0.00 C ATOM 785 CE3 TRP A 52 -3.037 8.089 -5.881 1.00 0.00 C ATOM 786 CZ2 TRP A 52 -2.382 10.796 -6.367 1.00 0.00 C ATOM 787 CZ3 TRP A 52 -3.243 9.064 -4.924 1.00 0.00 C ATOM 788 CH2 TRP A 52 -2.918 10.405 -5.171 1.00 0.00 C ATOM 0 H TRP A 52 0.164 4.939 -9.656 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.828 5.777 -7.067 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.458 6.099 -9.609 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -3.204 5.923 -8.034 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.297 8.452 -10.174 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -1.340 10.776 -9.042 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -3.293 7.059 -5.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -2.129 11.829 -6.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -3.662 8.788 -3.968 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -3.094 11.143 -4.403 1.00 0.00 H new ATOM 799 N TYR A 53 -1.215 3.345 -6.870 1.00 0.00 N ATOM 800 CA TYR A 53 -1.521 1.931 -6.688 1.00 0.00 C ATOM 801 C TYR A 53 -2.612 1.742 -5.637 1.00 0.00 C ATOM 802 O TYR A 53 -2.731 2.532 -4.702 1.00 0.00 O ATOM 803 CB TYR A 53 -0.264 1.164 -6.276 1.00 0.00 C ATOM 804 CG TYR A 53 1.007 1.716 -6.881 1.00 0.00 C ATOM 805 CD1 TYR A 53 1.019 2.232 -8.172 1.00 0.00 C ATOM 806 CD2 TYR A 53 2.196 1.724 -6.162 1.00 0.00 C ATOM 807 CE1 TYR A 53 2.178 2.737 -8.729 1.00 0.00 C ATOM 808 CE2 TYR A 53 3.360 2.229 -6.710 1.00 0.00 C ATOM 809 CZ TYR A 53 3.345 2.733 -7.993 1.00 0.00 C ATOM 810 OH TYR A 53 4.502 3.237 -8.544 1.00 0.00 O ATOM 0 H TYR A 53 -0.787 3.792 -6.059 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.883 1.538 -7.638 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.177 1.182 -5.190 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.373 0.120 -6.570 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.106 2.238 -8.749 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.211 1.329 -5.157 1.00 0.00 H new ATOM 0 HE1 TYR A 53 2.171 3.132 -9.734 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.275 2.229 -6.137 1.00 0.00 H new ATOM 0 HH TYR A 53 5.233 3.162 -7.896 1.00 0.00 H new ATOM 820 N GLU A 54 -3.405 0.688 -5.801 1.00 0.00 N ATOM 821 CA GLU A 54 -4.486 0.394 -4.867 1.00 0.00 C ATOM 822 C GLU A 54 -4.074 -0.698 -3.883 1.00 0.00 C ATOM 823 O GLU A 54 -3.603 -1.762 -4.282 1.00 0.00 O ATOM 824 CB GLU A 54 -5.743 -0.036 -5.626 1.00 0.00 C ATOM 825 CG GLU A 54 -7.036 0.326 -4.916 1.00 0.00 C ATOM 826 CD GLU A 54 -8.188 0.544 -5.877 1.00 0.00 C ATOM 827 OE1 GLU A 54 -7.952 1.104 -6.967 1.00 0.00 O ATOM 828 OE2 GLU A 54 -9.325 0.155 -5.539 1.00 0.00 O ATOM 0 H GLU A 54 -3.320 0.024 -6.571 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.703 1.302 -4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.738 0.428 -6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.713 -1.115 -5.780 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.297 -0.468 -4.217 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.882 1.231 -4.328 1.00 0.00 H new ATOM 835 N GLY A 55 -4.255 -0.425 -2.595 1.00 0.00 N ATOM 836 CA GLY A 55 -3.896 -1.392 -1.574 1.00 0.00 C ATOM 837 C GLY A 55 -4.792 -1.306 -0.355 1.00 0.00 C ATOM 838 O GLY A 55 -5.553 -0.351 -0.199 1.00 0.00 O ATOM 0 H GLY A 55 -4.644 0.449 -2.240 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.953 -2.397 -1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.861 -1.231 -1.273 1.00 0.00 H new ATOM 842 N VAL A 56 -4.704 -2.308 0.515 1.00 0.00 N ATOM 843 CA VAL A 56 -5.513 -2.343 1.726 1.00 0.00 C ATOM 844 C VAL A 56 -4.681 -1.995 2.955 1.00 0.00 C ATOM 845 O VAL A 56 -3.577 -2.508 3.135 1.00 0.00 O ATOM 846 CB VAL A 56 -6.155 -3.729 1.933 1.00 0.00 C ATOM 847 CG1 VAL A 56 -6.941 -3.765 3.235 1.00 0.00 C ATOM 848 CG2 VAL A 56 -7.048 -4.083 0.753 1.00 0.00 C ATOM 0 H VAL A 56 -4.079 -3.107 0.402 1.00 0.00 H new ATOM 0 HA VAL A 56 -6.300 -1.599 1.600 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.360 -4.472 1.995 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.387 -4.751 3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.272 -3.558 4.070 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.728 -3.012 3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.493 -5.065 0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -7.838 -3.338 0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.454 -4.101 -0.161 1.00 0.00 H new ATOM 858 N MET A 57 -5.217 -1.116 3.796 1.00 0.00 N ATOM 859 CA MET A 57 -4.523 -0.698 5.009 1.00 0.00 C ATOM 860 C MET A 57 -5.484 -0.638 6.191 1.00 0.00 C ATOM 861 O MET A 57 -6.510 0.039 6.134 1.00 0.00 O ATOM 862 CB MET A 57 -3.864 0.666 4.801 1.00 0.00 C ATOM 863 CG MET A 57 -2.758 0.967 5.800 1.00 0.00 C ATOM 864 SD MET A 57 -3.393 1.526 7.391 1.00 0.00 S ATOM 865 CE MET A 57 -3.074 3.285 7.283 1.00 0.00 C ATOM 0 H MET A 57 -6.129 -0.680 3.660 1.00 0.00 H new ATOM 0 HA MET A 57 -3.751 -1.435 5.229 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.453 0.712 3.792 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.626 1.442 4.870 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.154 0.072 5.948 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.099 1.731 5.387 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.706 3.814 7.997 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.026 3.480 7.512 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.296 3.634 6.274 1.00 0.00 H new ATOM 875 N ASN A 58 -5.145 -1.348 7.262 1.00 0.00 N ATOM 876 CA ASN A 58 -5.980 -1.375 8.458 1.00 0.00 C ATOM 877 C ASN A 58 -7.429 -1.690 8.103 1.00 0.00 C ATOM 878 O ASN A 58 -8.356 -1.241 8.775 1.00 0.00 O ATOM 879 CB ASN A 58 -5.902 -0.034 9.189 1.00 0.00 C ATOM 880 CG ASN A 58 -6.639 -0.053 10.514 1.00 0.00 C ATOM 881 OD1 ASN A 58 -7.875 0.435 10.511 1.00 0.00 O flip ATOM 882 ND2 ASN A 58 -6.105 -0.503 11.527 1.00 0.00 N flip ATOM 0 H ASN A 58 -4.298 -1.912 7.326 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.607 -2.161 9.114 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.857 0.222 9.362 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.321 0.747 8.555 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.153 -0.868 11.483 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -6.614 -0.511 12.411 1.00 0.00 H new ATOM 889 N GLY A 59 -7.617 -2.467 7.040 1.00 0.00 N ATOM 890 CA GLY A 59 -8.956 -2.830 6.614 1.00 0.00 C ATOM 891 C GLY A 59 -9.537 -1.842 5.621 1.00 0.00 C ATOM 892 O GLY A 59 -10.385 -2.199 4.802 1.00 0.00 O ATOM 0 H GLY A 59 -6.866 -2.851 6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.934 -3.822 6.164 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.608 -2.890 7.486 1.00 0.00 H new ATOM 896 N VAL A 60 -9.080 -0.596 5.693 1.00 0.00 N ATOM 897 CA VAL A 60 -9.559 0.447 4.794 1.00 0.00 C ATOM 898 C VAL A 60 -8.733 0.491 3.513 1.00 0.00 C ATOM 899 O VAL A 60 -7.504 0.549 3.554 1.00 0.00 O ATOM 900 CB VAL A 60 -9.516 1.831 5.467 1.00 0.00 C ATOM 901 CG1 VAL A 60 -9.872 2.923 4.468 1.00 0.00 C ATOM 902 CG2 VAL A 60 -10.450 1.870 6.667 1.00 0.00 C ATOM 0 H VAL A 60 -8.379 -0.284 6.365 1.00 0.00 H new ATOM 0 HA VAL A 60 -10.592 0.203 4.548 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.501 2.012 5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.836 3.894 4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.159 2.909 3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.876 2.749 4.082 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.406 2.856 7.130 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.470 1.667 6.341 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.144 1.115 7.391 1.00 0.00 H new ATOM 912 N THR A 61 -9.418 0.463 2.373 1.00 0.00 N ATOM 913 CA THR A 61 -8.748 0.498 1.079 1.00 0.00 C ATOM 914 C THR A 61 -8.816 1.891 0.463 1.00 0.00 C ATOM 915 O THR A 61 -9.751 2.648 0.718 1.00 0.00 O ATOM 916 CB THR A 61 -9.366 -0.515 0.099 1.00 0.00 C ATOM 917 OG1 THR A 61 -9.862 -1.652 0.816 1.00 0.00 O ATOM 918 CG2 THR A 61 -8.341 -0.967 -0.931 1.00 0.00 C ATOM 0 H THR A 61 -10.436 0.416 2.320 1.00 0.00 H new ATOM 0 HA THR A 61 -7.706 0.232 1.255 1.00 0.00 H new ATOM 0 HB THR A 61 -10.190 -0.026 -0.421 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.255 -2.291 0.185 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.801 -1.683 -1.612 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.987 -0.104 -1.495 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.499 -1.439 -0.424 1.00 0.00 H new ATOM 926 N GLY A 62 -7.819 2.223 -0.351 1.00 0.00 N ATOM 927 CA GLY A 62 -7.786 3.525 -0.992 1.00 0.00 C ATOM 928 C GLY A 62 -6.569 3.703 -1.879 1.00 0.00 C ATOM 929 O GLY A 62 -5.529 3.083 -1.652 1.00 0.00 O ATOM 0 H GLY A 62 -7.033 1.614 -0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.689 3.656 -1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.792 4.303 -0.229 1.00 0.00 H new ATOM 933 N LEU A 63 -6.699 4.552 -2.893 1.00 0.00 N ATOM 934 CA LEU A 63 -5.602 4.810 -3.820 1.00 0.00 C ATOM 935 C LEU A 63 -4.604 5.794 -3.220 1.00 0.00 C ATOM 936 O LEU A 63 -4.988 6.827 -2.672 1.00 0.00 O ATOM 937 CB LEU A 63 -6.143 5.355 -5.143 1.00 0.00 C ATOM 938 CG LEU A 63 -6.492 4.314 -6.205 1.00 0.00 C ATOM 939 CD1 LEU A 63 -7.609 4.821 -7.105 1.00 0.00 C ATOM 940 CD2 LEU A 63 -5.262 3.959 -7.030 1.00 0.00 C ATOM 0 H LEU A 63 -7.552 5.073 -3.094 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.087 3.868 -4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.036 5.943 -4.932 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.403 6.037 -5.561 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.840 3.413 -5.700 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.843 4.065 -7.855 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.496 5.024 -6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.289 5.737 -7.601 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.530 3.216 -7.781 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.884 4.854 -7.524 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.491 3.552 -6.376 1.00 0.00 H new ATOM 952 N PHE A 64 -3.320 5.468 -3.332 1.00 0.00 N ATOM 953 CA PHE A 64 -2.265 6.325 -2.802 1.00 0.00 C ATOM 954 C PHE A 64 -1.156 6.520 -3.830 1.00 0.00 C ATOM 955 O PHE A 64 -0.894 5.658 -4.669 1.00 0.00 O ATOM 956 CB PHE A 64 -1.687 5.724 -1.519 1.00 0.00 C ATOM 957 CG PHE A 64 -1.051 4.379 -1.720 1.00 0.00 C ATOM 958 CD1 PHE A 64 -1.819 3.225 -1.712 1.00 0.00 C ATOM 959 CD2 PHE A 64 0.316 4.268 -1.918 1.00 0.00 C ATOM 960 CE1 PHE A 64 -1.235 1.987 -1.897 1.00 0.00 C ATOM 961 CE2 PHE A 64 0.906 3.031 -2.104 1.00 0.00 C ATOM 962 CZ PHE A 64 0.128 1.890 -2.095 1.00 0.00 C ATOM 0 H PHE A 64 -2.985 4.617 -3.785 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.701 7.298 -2.575 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.946 6.410 -1.108 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.482 5.634 -0.779 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.886 3.295 -1.559 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.928 5.158 -1.927 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.844 1.095 -1.887 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.973 2.958 -2.256 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.585 0.923 -2.243 1.00 0.00 H new ATOM 972 N PRO A 65 -0.485 7.680 -3.765 1.00 0.00 N ATOM 973 CA PRO A 65 0.607 8.016 -4.681 1.00 0.00 C ATOM 974 C PRO A 65 1.853 7.172 -4.435 1.00 0.00 C ATOM 975 O PRO A 65 2.301 7.027 -3.298 1.00 0.00 O ATOM 976 CB PRO A 65 0.890 9.488 -4.372 1.00 0.00 C ATOM 977 CG PRO A 65 0.431 9.675 -2.966 1.00 0.00 C ATOM 978 CD PRO A 65 -0.744 8.753 -2.789 1.00 0.00 C ATOM 0 HA PRO A 65 0.338 7.828 -5.720 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.950 9.718 -4.476 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.353 10.146 -5.055 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.226 9.434 -2.260 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.146 10.711 -2.783 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.801 8.366 -1.772 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.687 9.261 -2.991 1.00 0.00 H new ATOM 986 N GLY A 66 2.406 6.614 -5.507 1.00 0.00 N ATOM 987 CA GLY A 66 3.595 5.791 -5.385 1.00 0.00 C ATOM 988 C GLY A 66 4.857 6.614 -5.221 1.00 0.00 C ATOM 989 O GLY A 66 5.833 6.416 -5.942 1.00 0.00 O ATOM 0 H GLY A 66 2.052 6.717 -6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.486 5.125 -4.529 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.689 5.161 -6.269 1.00 0.00 H new ATOM 993 N ASN A 67 4.837 7.543 -4.270 1.00 0.00 N ATOM 994 CA ASN A 67 5.987 8.401 -4.015 1.00 0.00 C ATOM 995 C ASN A 67 6.332 8.422 -2.529 1.00 0.00 C ATOM 996 O ASN A 67 7.504 8.442 -2.155 1.00 0.00 O ATOM 997 CB ASN A 67 5.706 9.824 -4.505 1.00 0.00 C ATOM 998 CG ASN A 67 5.690 9.922 -6.018 1.00 0.00 C ATOM 999 OD1 ASN A 67 4.647 9.755 -6.650 1.00 0.00 O ATOM 1000 ND2 ASN A 67 6.849 10.192 -6.606 1.00 0.00 N ATOM 0 H ASN A 67 4.036 7.720 -3.664 1.00 0.00 H new ATOM 0 HA ASN A 67 6.839 7.997 -4.562 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.746 10.158 -4.112 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.465 10.498 -4.108 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.900 10.269 -7.622 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.689 10.323 -6.042 1.00 0.00 H new ATOM 1007 N TYR A 68 5.303 8.415 -1.689 1.00 0.00 N ATOM 1008 CA TYR A 68 5.497 8.435 -0.245 1.00 0.00 C ATOM 1009 C TYR A 68 5.734 7.028 0.293 1.00 0.00 C ATOM 1010 O TYR A 68 5.730 6.802 1.503 1.00 0.00 O ATOM 1011 CB TYR A 68 4.282 9.059 0.446 1.00 0.00 C ATOM 1012 CG TYR A 68 4.123 10.537 0.171 1.00 0.00 C ATOM 1013 CD1 TYR A 68 3.917 11.006 -1.120 1.00 0.00 C ATOM 1014 CD2 TYR A 68 4.180 11.465 1.205 1.00 0.00 C ATOM 1015 CE1 TYR A 68 3.771 12.356 -1.374 1.00 0.00 C ATOM 1016 CE2 TYR A 68 4.033 12.816 0.960 1.00 0.00 C ATOM 1017 CZ TYR A 68 3.829 13.257 -0.332 1.00 0.00 C ATOM 1018 OH TYR A 68 3.685 14.603 -0.580 1.00 0.00 O ATOM 0 H TYR A 68 4.327 8.396 -1.984 1.00 0.00 H new ATOM 0 HA TYR A 68 6.379 9.039 -0.032 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.382 8.538 0.120 1.00 0.00 H new ATOM 0 HB3 TYR A 68 4.367 8.905 1.522 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.870 10.304 -1.939 1.00 0.00 H new ATOM 0 HD2 TYR A 68 4.342 11.123 2.217 1.00 0.00 H new ATOM 0 HE1 TYR A 68 3.612 12.704 -2.384 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.077 13.524 1.775 1.00 0.00 H new ATOM 0 HH TYR A 68 3.750 15.100 0.262 1.00 0.00 H new ATOM 1028 N VAL A 69 5.942 6.081 -0.618 1.00 0.00 N ATOM 1029 CA VAL A 69 6.184 4.695 -0.237 1.00 0.00 C ATOM 1030 C VAL A 69 7.509 4.192 -0.799 1.00 0.00 C ATOM 1031 O VAL A 69 8.059 4.776 -1.733 1.00 0.00 O ATOM 1032 CB VAL A 69 5.050 3.772 -0.726 1.00 0.00 C ATOM 1033 CG1 VAL A 69 3.698 4.300 -0.270 1.00 0.00 C ATOM 1034 CG2 VAL A 69 5.093 3.633 -2.240 1.00 0.00 C ATOM 0 H VAL A 69 5.948 6.249 -1.624 1.00 0.00 H new ATOM 0 HA VAL A 69 6.221 4.669 0.852 1.00 0.00 H new ATOM 0 HB VAL A 69 5.194 2.784 -0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.910 3.636 -0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.673 4.344 0.819 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.541 5.299 -0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.286 2.978 -2.568 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.974 4.614 -2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.050 3.207 -2.539 1.00 0.00 H new ATOM 1044 N GLU A 70 8.016 3.107 -0.225 1.00 0.00 N ATOM 1045 CA GLU A 70 9.278 2.527 -0.669 1.00 0.00 C ATOM 1046 C GLU A 70 9.180 1.006 -0.749 1.00 0.00 C ATOM 1047 O GLU A 70 8.794 0.346 0.215 1.00 0.00 O ATOM 1048 CB GLU A 70 10.411 2.926 0.279 1.00 0.00 C ATOM 1049 CG GLU A 70 11.793 2.812 -0.341 1.00 0.00 C ATOM 1050 CD GLU A 70 11.923 3.608 -1.625 1.00 0.00 C ATOM 1051 OE1 GLU A 70 12.154 4.832 -1.543 1.00 0.00 O ATOM 1052 OE2 GLU A 70 11.796 3.006 -2.712 1.00 0.00 O ATOM 0 H GLU A 70 7.573 2.611 0.549 1.00 0.00 H new ATOM 0 HA GLU A 70 9.494 2.913 -1.665 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.253 3.953 0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.368 2.297 1.168 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.538 3.159 0.375 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.011 1.763 -0.544 1.00 0.00 H new ATOM 1059 N SER A 71 9.531 0.456 -1.908 1.00 0.00 N ATOM 1060 CA SER A 71 9.478 -0.985 -2.117 1.00 0.00 C ATOM 1061 C SER A 71 10.553 -1.692 -1.298 1.00 0.00 C ATOM 1062 O SER A 71 11.733 -1.344 -1.368 1.00 0.00 O ATOM 1063 CB SER A 71 9.654 -1.313 -3.601 1.00 0.00 C ATOM 1064 OG SER A 71 8.484 -0.996 -4.336 1.00 0.00 O ATOM 0 H SER A 71 9.855 0.988 -2.716 1.00 0.00 H new ATOM 0 HA SER A 71 8.502 -1.340 -1.787 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.501 -0.756 -4.002 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.885 -2.372 -3.718 1.00 0.00 H new ATOM 0 HG SER A 71 8.623 -1.213 -5.281 1.00 0.00 H new ATOM 1070 N ILE A 72 10.138 -2.686 -0.521 1.00 0.00 N ATOM 1071 CA ILE A 72 11.064 -3.444 0.311 1.00 0.00 C ATOM 1072 C ILE A 72 11.117 -4.908 -0.115 1.00 0.00 C ATOM 1073 O ILE A 72 11.978 -5.665 0.331 1.00 0.00 O ATOM 1074 CB ILE A 72 10.676 -3.369 1.800 1.00 0.00 C ATOM 1075 CG1 ILE A 72 9.154 -3.401 1.953 1.00 0.00 C ATOM 1076 CG2 ILE A 72 11.251 -2.111 2.435 1.00 0.00 C ATOM 1077 CD1 ILE A 72 8.696 -3.607 3.380 1.00 0.00 C ATOM 0 H ILE A 72 9.166 -2.986 -0.450 1.00 0.00 H new ATOM 0 HA ILE A 72 12.047 -2.993 0.177 1.00 0.00 H new ATOM 0 HB ILE A 72 11.094 -4.235 2.314 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.739 -2.465 1.578 1.00 0.00 H new ATOM 0 HG13 ILE A 72 8.751 -4.200 1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 72 10.968 -2.072 3.487 1.00 0.00 H new ATOM 0 HG22 ILE A 72 12.338 -2.126 2.352 1.00 0.00 H new ATOM 0 HG23 ILE A 72 10.860 -1.233 1.922 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.607 -3.619 3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.081 -4.556 3.752 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.070 -2.794 4.003 1.00 0.00 H new ATOM 1089 N SER A 73 10.190 -5.299 -0.984 1.00 0.00 N ATOM 1090 CA SER A 73 10.129 -6.671 -1.470 1.00 0.00 C ATOM 1091 C SER A 73 9.929 -6.704 -2.983 1.00 0.00 C ATOM 1092 O SER A 73 8.905 -6.254 -3.495 1.00 0.00 O ATOM 1093 CB SER A 73 8.994 -7.430 -0.778 1.00 0.00 C ATOM 1094 OG SER A 73 8.689 -8.631 -1.466 1.00 0.00 O ATOM 0 H SER A 73 9.471 -4.684 -1.365 1.00 0.00 H new ATOM 0 HA SER A 73 11.077 -7.155 -1.236 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.278 -7.658 0.249 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.106 -6.799 -0.731 1.00 0.00 H new ATOM 0 HG SER A 73 7.962 -9.098 -1.003 1.00 0.00 H new ATOM 1100 N GLY A 74 10.916 -7.241 -3.692 1.00 0.00 N ATOM 1101 CA GLY A 74 10.831 -7.324 -5.139 1.00 0.00 C ATOM 1102 C GLY A 74 12.177 -7.586 -5.784 1.00 0.00 C ATOM 1103 O GLY A 74 13.155 -7.925 -5.117 1.00 0.00 O ATOM 0 H GLY A 74 11.774 -7.620 -3.291 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.139 -8.120 -5.414 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.419 -6.394 -5.530 1.00 0.00 H new ATOM 1107 N PRO A 75 12.239 -7.431 -7.116 1.00 0.00 N ATOM 1108 CA PRO A 75 13.470 -7.649 -7.882 1.00 0.00 C ATOM 1109 C PRO A 75 14.520 -6.577 -7.609 1.00 0.00 C ATOM 1110 O PRO A 75 15.666 -6.695 -8.042 1.00 0.00 O ATOM 1111 CB PRO A 75 12.999 -7.578 -9.336 1.00 0.00 C ATOM 1112 CG PRO A 75 11.769 -6.739 -9.297 1.00 0.00 C ATOM 1113 CD PRO A 75 11.113 -7.029 -7.975 1.00 0.00 C ATOM 0 HA PRO A 75 13.952 -8.591 -7.621 1.00 0.00 H new ATOM 0 HB2 PRO A 75 13.760 -7.134 -9.977 1.00 0.00 H new ATOM 0 HB3 PRO A 75 12.788 -8.571 -9.732 1.00 0.00 H new ATOM 0 HG2 PRO A 75 12.015 -5.681 -9.387 1.00 0.00 H new ATOM 0 HG3 PRO A 75 11.103 -6.983 -10.125 1.00 0.00 H new ATOM 0 HD2 PRO A 75 10.600 -6.152 -7.580 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.370 -7.822 -8.061 1.00 0.00 H new ATOM 1121 N SER A 76 14.121 -5.533 -6.890 1.00 0.00 N ATOM 1122 CA SER A 76 15.028 -4.441 -6.563 1.00 0.00 C ATOM 1123 C SER A 76 15.777 -4.725 -5.265 1.00 0.00 C ATOM 1124 O SER A 76 15.168 -4.931 -4.215 1.00 0.00 O ATOM 1125 CB SER A 76 14.253 -3.127 -6.440 1.00 0.00 C ATOM 1126 OG SER A 76 13.224 -3.231 -5.472 1.00 0.00 O ATOM 0 H SER A 76 13.176 -5.421 -6.523 1.00 0.00 H new ATOM 0 HA SER A 76 15.756 -4.353 -7.370 1.00 0.00 H new ATOM 0 HB2 SER A 76 14.936 -2.323 -6.165 1.00 0.00 H new ATOM 0 HB3 SER A 76 13.823 -2.863 -7.406 1.00 0.00 H new ATOM 0 HG SER A 76 13.517 -3.820 -4.745 1.00 0.00 H new ATOM 1132 N SER A 77 17.104 -4.735 -5.344 1.00 0.00 N ATOM 1133 CA SER A 77 17.939 -5.000 -4.178 1.00 0.00 C ATOM 1134 C SER A 77 17.964 -3.793 -3.244 1.00 0.00 C ATOM 1135 O SER A 77 18.604 -2.783 -3.534 1.00 0.00 O ATOM 1136 CB SER A 77 19.362 -5.352 -4.612 1.00 0.00 C ATOM 1137 OG SER A 77 20.033 -6.094 -3.606 1.00 0.00 O ATOM 0 H SER A 77 17.624 -4.562 -6.204 1.00 0.00 H new ATOM 0 HA SER A 77 17.512 -5.846 -3.640 1.00 0.00 H new ATOM 0 HB2 SER A 77 19.332 -5.930 -5.536 1.00 0.00 H new ATOM 0 HB3 SER A 77 19.917 -4.439 -4.826 1.00 0.00 H new ATOM 0 HG SER A 77 20.940 -6.308 -3.908 1.00 0.00 H new ATOM 1143 N GLY A 78 17.260 -3.906 -2.121 1.00 0.00 N ATOM 1144 CA GLY A 78 17.215 -2.818 -1.162 1.00 0.00 C ATOM 1145 C GLY A 78 16.630 -3.245 0.171 1.00 0.00 C ATOM 1146 O GLY A 78 15.476 -2.944 0.474 1.00 0.00 O ATOM 0 H GLY A 78 16.721 -4.731 -1.859 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.223 -2.433 -1.007 1.00 0.00 H new ATOM 0 HA3 GLY A 78 16.621 -2.001 -1.571 1.00 0.00 H new TER 1150 GLY A 78