USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 811 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 81 GLN : amide:sc= -2.68 K(o=-2.7,f=-3.3!) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 72 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 92 SER OG : rot 176:sc= 0.00205 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 180:sc= -0.0452 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 21:sc= 0.753 USER MOD Single : A 11 SER OG : rot 9:sc= 1.03 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -160:sc= 0.0809 (180deg=0.0218) USER MOD Single : A 22 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.039) USER MOD Single : A 27 LYS NZ :NH3+ 157:sc= -1.01 (180deg=-2.31!) USER MOD Single : A 28 SER OG : rot 22:sc= -1.38! USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.497! USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -73:sc= -0.468 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -153:sc= -0.0544 (180deg=-1.27) USER MOD Single : A 52 GLN : amide:sc= -0.0576 K(o=-0.058,f=-1.1) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.151 K(o=-0.15,f=-2.2!) USER MOD Single : A 61 SER OG : rot 180:sc= -0.875 USER MOD Single : A 73 CYS SG : rot 84:sc= 0.881 USER MOD Single : A 76 LYS NZ :NH3+ -169:sc= -1.84 (180deg=-2.1) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00289 USER MOD Single : A 89 GLN : amide:sc= -0.668 K(o=-0.67,f=-2.4!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -2.21 K(o=-2.2,f=-2.9!) USER MOD Single : A 99 LYS NZ :NH3+ 161:sc= 0.271 (180deg=0.146) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= -0.17 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.008 -23.481 16.264 1.00 0.00 N ATOM 2 CA GLY A 1 2.816 -23.291 15.459 1.00 0.00 C ATOM 3 C GLY A 1 1.566 -23.811 16.142 1.00 0.00 C ATOM 4 O GLY A 1 1.393 -25.020 16.298 1.00 0.00 O ATOM 0 H1 GLY A 1 4.834 -23.109 15.754 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.902 -22.975 17.166 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.143 -24.495 16.450 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.693 -22.230 15.242 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.942 -23.799 14.503 1.00 0.00 H new ATOM 8 N SER A 2 0.694 -22.896 16.552 1.00 0.00 N ATOM 9 CA SER A 2 -0.544 -23.268 17.227 1.00 0.00 C ATOM 10 C SER A 2 -1.733 -23.167 16.277 1.00 0.00 C ATOM 11 O SER A 2 -2.570 -24.068 16.213 1.00 0.00 O ATOM 12 CB SER A 2 -0.773 -22.373 18.446 1.00 0.00 C ATOM 13 OG SER A 2 -1.912 -22.791 19.179 1.00 0.00 O ATOM 0 H SER A 2 0.822 -21.892 16.429 1.00 0.00 H new ATOM 0 HA SER A 2 -0.452 -24.303 17.557 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.107 -22.397 19.089 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.903 -21.340 18.123 1.00 0.00 H new ATOM 0 HG SER A 2 -2.036 -22.204 19.954 1.00 0.00 H new ATOM 19 N SER A 3 -1.801 -22.063 15.539 1.00 0.00 N ATOM 20 CA SER A 3 -2.889 -21.841 14.594 1.00 0.00 C ATOM 21 C SER A 3 -3.074 -23.051 13.684 1.00 0.00 C ATOM 22 O SER A 3 -2.261 -23.974 13.687 1.00 0.00 O ATOM 23 CB SER A 3 -2.615 -20.593 13.753 1.00 0.00 C ATOM 24 OG SER A 3 -3.818 -20.054 13.233 1.00 0.00 O ATOM 0 H SER A 3 -1.115 -21.309 15.578 1.00 0.00 H new ATOM 0 HA SER A 3 -3.807 -21.693 15.163 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.111 -19.843 14.363 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.941 -20.844 12.934 1.00 0.00 H new ATOM 0 HG SER A 3 -3.616 -19.256 12.701 1.00 0.00 H new ATOM 30 N GLY A 4 -4.151 -23.039 12.904 1.00 0.00 N ATOM 31 CA GLY A 4 -4.424 -24.140 11.999 1.00 0.00 C ATOM 32 C GLY A 4 -5.656 -23.900 11.150 1.00 0.00 C ATOM 33 O GLY A 4 -6.331 -22.880 11.296 1.00 0.00 O ATOM 0 H GLY A 4 -4.839 -22.286 12.883 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.563 -24.294 11.349 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.556 -25.056 12.575 1.00 0.00 H new ATOM 37 N SER A 5 -5.951 -24.840 10.258 1.00 0.00 N ATOM 38 CA SER A 5 -7.107 -24.723 9.377 1.00 0.00 C ATOM 39 C SER A 5 -8.404 -24.945 10.151 1.00 0.00 C ATOM 40 O SER A 5 -8.455 -25.750 11.080 1.00 0.00 O ATOM 41 CB SER A 5 -7.006 -25.731 8.231 1.00 0.00 C ATOM 42 OG SER A 5 -6.213 -25.221 7.172 1.00 0.00 O ATOM 0 H SER A 5 -5.405 -25.692 10.126 1.00 0.00 H new ATOM 0 HA SER A 5 -7.118 -23.714 8.964 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.573 -26.662 8.598 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.004 -25.967 7.861 1.00 0.00 H new ATOM 0 HG SER A 5 -6.162 -25.884 6.452 1.00 0.00 H new ATOM 48 N SER A 6 -9.449 -24.224 9.760 1.00 0.00 N ATOM 49 CA SER A 6 -10.746 -24.337 10.418 1.00 0.00 C ATOM 50 C SER A 6 -11.875 -23.970 9.460 1.00 0.00 C ATOM 51 O SER A 6 -11.635 -23.469 8.362 1.00 0.00 O ATOM 52 CB SER A 6 -10.795 -23.435 11.653 1.00 0.00 C ATOM 53 OG SER A 6 -9.797 -23.800 12.591 1.00 0.00 O ATOM 0 H SER A 6 -9.424 -23.555 8.991 1.00 0.00 H new ATOM 0 HA SER A 6 -10.880 -25.373 10.729 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.655 -22.396 11.354 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.778 -23.503 12.118 1.00 0.00 H new ATOM 0 HG SER A 6 -9.848 -23.208 13.370 1.00 0.00 H new ATOM 59 N GLY A 7 -13.109 -24.223 9.886 1.00 0.00 N ATOM 60 CA GLY A 7 -14.258 -23.914 9.055 1.00 0.00 C ATOM 61 C GLY A 7 -14.683 -22.463 9.170 1.00 0.00 C ATOM 62 O GLY A 7 -15.869 -22.166 9.311 1.00 0.00 O ATOM 0 H GLY A 7 -13.333 -24.636 10.791 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.021 -24.139 8.015 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.091 -24.557 9.339 1.00 0.00 H new ATOM 66 N MET A 8 -13.712 -21.558 9.111 1.00 0.00 N ATOM 67 CA MET A 8 -13.992 -20.130 9.210 1.00 0.00 C ATOM 68 C MET A 8 -13.751 -19.435 7.874 1.00 0.00 C ATOM 69 O MET A 8 -12.987 -19.920 7.040 1.00 0.00 O ATOM 70 CB MET A 8 -13.121 -19.492 10.294 1.00 0.00 C ATOM 71 CG MET A 8 -13.500 -19.913 11.705 1.00 0.00 C ATOM 72 SD MET A 8 -12.093 -19.912 12.832 1.00 0.00 S ATOM 73 CE MET A 8 -12.722 -18.884 14.157 1.00 0.00 C ATOM 0 H MET A 8 -12.725 -21.788 8.995 1.00 0.00 H new ATOM 0 HA MET A 8 -15.041 -20.009 9.479 1.00 0.00 H new ATOM 0 HB2 MET A 8 -12.079 -19.755 10.113 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.194 -18.407 10.215 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.267 -19.239 12.087 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.937 -20.911 11.677 1.00 0.00 H new ATOM 0 HE1 MET A 8 -11.964 -18.788 14.934 1.00 0.00 H new ATOM 0 HE2 MET A 8 -12.968 -17.897 13.766 1.00 0.00 H new ATOM 0 HE3 MET A 8 -13.617 -19.341 14.578 1.00 0.00 H new ATOM 83 N SER A 9 -14.408 -18.296 7.677 1.00 0.00 N ATOM 84 CA SER A 9 -14.269 -17.537 6.440 1.00 0.00 C ATOM 85 C SER A 9 -13.007 -16.680 6.469 1.00 0.00 C ATOM 86 O SER A 9 -12.852 -15.810 7.327 1.00 0.00 O ATOM 87 CB SER A 9 -15.496 -16.651 6.220 1.00 0.00 C ATOM 88 OG SER A 9 -15.533 -15.589 7.157 1.00 0.00 O ATOM 0 H SER A 9 -15.042 -17.879 8.359 1.00 0.00 H new ATOM 0 HA SER A 9 -14.189 -18.245 5.615 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.480 -16.247 5.208 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.402 -17.250 6.309 1.00 0.00 H new ATOM 0 HG SER A 9 -14.635 -15.442 7.520 1.00 0.00 H new ATOM 94 N LEU A 10 -12.107 -16.932 5.524 1.00 0.00 N ATOM 95 CA LEU A 10 -10.857 -16.184 5.439 1.00 0.00 C ATOM 96 C LEU A 10 -10.641 -15.643 4.030 1.00 0.00 C ATOM 97 O LEU A 10 -11.097 -16.234 3.051 1.00 0.00 O ATOM 98 CB LEU A 10 -9.680 -17.073 5.843 1.00 0.00 C ATOM 99 CG LEU A 10 -9.779 -17.735 7.217 1.00 0.00 C ATOM 100 CD1 LEU A 10 -8.784 -18.880 7.331 1.00 0.00 C ATOM 101 CD2 LEU A 10 -9.546 -16.713 8.320 1.00 0.00 C ATOM 0 H LEU A 10 -12.220 -17.648 4.806 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.919 -15.340 6.126 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.567 -17.855 5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.771 -16.472 5.816 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.784 -18.141 7.331 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.869 -19.339 8.316 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.997 -19.625 6.564 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.772 -18.498 7.195 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.620 -17.202 9.291 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.553 -16.277 8.208 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.297 -15.926 8.252 1.00 0.00 H new ATOM 113 N SER A 11 -9.942 -14.517 3.934 1.00 0.00 N ATOM 114 CA SER A 11 -9.666 -13.895 2.645 1.00 0.00 C ATOM 115 C SER A 11 -8.177 -13.958 2.318 1.00 0.00 C ATOM 116 O SER A 11 -7.354 -13.354 3.004 1.00 0.00 O ATOM 117 CB SER A 11 -10.138 -12.439 2.645 1.00 0.00 C ATOM 118 OG SER A 11 -9.258 -11.618 3.392 1.00 0.00 O ATOM 0 H SER A 11 -9.556 -14.016 4.735 1.00 0.00 H new ATOM 0 HA SER A 11 -10.212 -14.447 1.880 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.199 -12.073 1.620 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.142 -12.379 3.066 1.00 0.00 H new ATOM 0 HG SER A 11 -8.461 -12.132 3.638 1.00 0.00 H new ATOM 124 N ASP A 12 -7.840 -14.695 1.265 1.00 0.00 N ATOM 125 CA ASP A 12 -6.451 -14.838 0.845 1.00 0.00 C ATOM 126 C ASP A 12 -6.081 -13.771 -0.182 1.00 0.00 C ATOM 127 O ASP A 12 -5.404 -14.056 -1.169 1.00 0.00 O ATOM 128 CB ASP A 12 -6.214 -16.231 0.260 1.00 0.00 C ATOM 129 CG ASP A 12 -6.014 -17.283 1.333 1.00 0.00 C ATOM 130 OD1 ASP A 12 -5.008 -17.198 2.068 1.00 0.00 O ATOM 131 OD2 ASP A 12 -6.866 -18.190 1.439 1.00 0.00 O ATOM 0 H ASP A 12 -8.510 -15.203 0.687 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.817 -14.708 1.722 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.063 -16.509 -0.364 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.338 -16.206 -0.388 1.00 0.00 H new ATOM 136 N TRP A 13 -6.532 -12.546 0.058 1.00 0.00 N ATOM 137 CA TRP A 13 -6.249 -11.437 -0.847 1.00 0.00 C ATOM 138 C TRP A 13 -4.829 -10.921 -0.648 1.00 0.00 C ATOM 139 O TRP A 13 -4.443 -10.547 0.460 1.00 0.00 O ATOM 140 CB TRP A 13 -7.252 -10.303 -0.626 1.00 0.00 C ATOM 141 CG TRP A 13 -6.963 -9.086 -1.451 1.00 0.00 C ATOM 142 CD1 TRP A 13 -5.834 -8.319 -1.411 1.00 0.00 C ATOM 143 CD2 TRP A 13 -7.818 -8.494 -2.435 1.00 0.00 C ATOM 144 NE1 TRP A 13 -5.935 -7.286 -2.312 1.00 0.00 N ATOM 145 CE2 TRP A 13 -7.142 -7.372 -2.953 1.00 0.00 C ATOM 146 CE3 TRP A 13 -9.087 -8.804 -2.931 1.00 0.00 C ATOM 147 CZ2 TRP A 13 -7.696 -6.561 -3.941 1.00 0.00 C ATOM 148 CZ3 TRP A 13 -9.635 -7.998 -3.911 1.00 0.00 C ATOM 149 CH2 TRP A 13 -8.940 -6.888 -4.408 1.00 0.00 C ATOM 0 H TRP A 13 -7.095 -12.295 0.871 1.00 0.00 H new ATOM 0 HA TRP A 13 -6.343 -11.802 -1.870 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -8.254 -10.663 -0.861 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.251 -10.027 0.428 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.986 -8.498 -0.766 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.226 -6.571 -2.476 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -9.630 -9.658 -2.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.162 -5.704 -4.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -10.616 -8.228 -4.300 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -9.395 -6.278 -5.175 1.00 0.00 H new ATOM 160 N HIS A 14 -4.054 -10.902 -1.728 1.00 0.00 N ATOM 161 CA HIS A 14 -2.675 -10.430 -1.671 1.00 0.00 C ATOM 162 C HIS A 14 -2.422 -9.361 -2.730 1.00 0.00 C ATOM 163 O HIS A 14 -3.166 -9.252 -3.706 1.00 0.00 O ATOM 164 CB HIS A 14 -1.706 -11.597 -1.866 1.00 0.00 C ATOM 165 CG HIS A 14 -1.503 -11.974 -3.301 1.00 0.00 C ATOM 166 ND1 HIS A 14 -2.491 -12.541 -4.077 1.00 0.00 N ATOM 167 CD2 HIS A 14 -0.417 -11.860 -4.101 1.00 0.00 C ATOM 168 CE1 HIS A 14 -2.022 -12.761 -5.292 1.00 0.00 C ATOM 169 NE2 HIS A 14 -0.765 -12.356 -5.333 1.00 0.00 N ATOM 0 H HIS A 14 -4.357 -11.208 -2.653 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.508 -9.989 -0.688 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.743 -11.336 -1.428 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.080 -12.464 -1.321 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.544 -11.454 -3.822 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.572 -13.198 -6.112 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.153 -12.404 -6.147 1.00 0.00 H new ATOM 178 N LEU A 15 -1.370 -8.575 -2.531 1.00 0.00 N ATOM 179 CA LEU A 15 -1.019 -7.514 -3.469 1.00 0.00 C ATOM 180 C LEU A 15 0.494 -7.349 -3.563 1.00 0.00 C ATOM 181 O LEU A 15 1.230 -7.762 -2.668 1.00 0.00 O ATOM 182 CB LEU A 15 -1.662 -6.194 -3.039 1.00 0.00 C ATOM 183 CG LEU A 15 -1.986 -5.208 -4.162 1.00 0.00 C ATOM 184 CD1 LEU A 15 -3.055 -5.778 -5.081 1.00 0.00 C ATOM 185 CD2 LEU A 15 -2.431 -3.872 -3.587 1.00 0.00 C ATOM 0 H LEU A 15 -0.745 -8.652 -1.729 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.397 -7.792 -4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.584 -6.420 -2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.995 -5.702 -2.331 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.082 -5.045 -4.748 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.272 -5.062 -5.874 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.698 -6.709 -5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.962 -5.971 -4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.657 -3.183 -4.401 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.322 -4.017 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.633 -3.457 -2.971 1.00 0.00 H new ATOM 197 N ALA A 16 0.951 -6.740 -4.653 1.00 0.00 N ATOM 198 CA ALA A 16 2.376 -6.516 -4.862 1.00 0.00 C ATOM 199 C ALA A 16 2.761 -5.080 -4.527 1.00 0.00 C ATOM 200 O ALA A 16 1.973 -4.154 -4.721 1.00 0.00 O ATOM 201 CB ALA A 16 2.756 -6.846 -6.298 1.00 0.00 C ATOM 0 H ALA A 16 0.355 -6.393 -5.404 1.00 0.00 H new ATOM 0 HA ALA A 16 2.925 -7.177 -4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.823 -6.674 -6.441 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.526 -7.891 -6.504 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.192 -6.209 -6.979 1.00 0.00 H new ATOM 207 N VAL A 17 3.977 -4.900 -4.023 1.00 0.00 N ATOM 208 CA VAL A 17 4.467 -3.575 -3.661 1.00 0.00 C ATOM 209 C VAL A 17 5.813 -3.289 -4.316 1.00 0.00 C ATOM 210 O VAL A 17 6.774 -4.040 -4.142 1.00 0.00 O ATOM 211 CB VAL A 17 4.610 -3.427 -2.134 1.00 0.00 C ATOM 212 CG1 VAL A 17 5.462 -2.215 -1.793 1.00 0.00 C ATOM 213 CG2 VAL A 17 3.241 -3.329 -1.479 1.00 0.00 C ATOM 0 H VAL A 17 4.642 -5.655 -3.856 1.00 0.00 H new ATOM 0 HA VAL A 17 3.731 -2.856 -4.021 1.00 0.00 H new ATOM 0 HB VAL A 17 5.111 -4.313 -1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.552 -2.126 -0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.453 -2.332 -2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.993 -1.316 -2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.360 -3.225 -0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.711 -2.461 -1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.669 -4.231 -1.695 1.00 0.00 H new ATOM 223 N LYS A 18 5.877 -2.197 -5.071 1.00 0.00 N ATOM 224 CA LYS A 18 7.107 -1.809 -5.753 1.00 0.00 C ATOM 225 C LYS A 18 7.567 -0.427 -5.299 1.00 0.00 C ATOM 226 O LYS A 18 6.754 0.412 -4.910 1.00 0.00 O ATOM 227 CB LYS A 18 6.898 -1.816 -7.269 1.00 0.00 C ATOM 228 CG LYS A 18 7.116 -3.177 -7.906 1.00 0.00 C ATOM 229 CD LYS A 18 8.594 -3.504 -8.030 1.00 0.00 C ATOM 230 CE LYS A 18 9.266 -2.655 -9.099 1.00 0.00 C ATOM 231 NZ LYS A 18 10.545 -3.258 -9.564 1.00 0.00 N ATOM 0 H LYS A 18 5.092 -1.565 -5.226 1.00 0.00 H new ATOM 0 HA LYS A 18 7.880 -2.533 -5.496 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.885 -1.479 -7.489 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.579 -1.097 -7.725 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.622 -3.943 -7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.654 -3.196 -8.893 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.086 -3.339 -7.071 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.715 -4.560 -8.273 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.591 -2.537 -9.947 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.458 -1.658 -8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.130 -2.526 -10.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.057 -3.656 -8.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.344 -4.013 -10.250 1.00 0.00 H new ATOM 245 N LEU A 19 8.874 -0.198 -5.352 1.00 0.00 N ATOM 246 CA LEU A 19 9.443 1.083 -4.947 1.00 0.00 C ATOM 247 C LEU A 19 9.741 1.955 -6.163 1.00 0.00 C ATOM 248 O LEU A 19 10.693 1.704 -6.901 1.00 0.00 O ATOM 249 CB LEU A 19 10.722 0.863 -4.138 1.00 0.00 C ATOM 250 CG LEU A 19 11.182 2.039 -3.276 1.00 0.00 C ATOM 251 CD1 LEU A 19 10.149 2.352 -2.204 1.00 0.00 C ATOM 252 CD2 LEU A 19 12.534 1.741 -2.645 1.00 0.00 C ATOM 0 H LEU A 19 9.560 -0.882 -5.671 1.00 0.00 H new ATOM 0 HA LEU A 19 8.711 1.597 -4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.574 -0.001 -3.490 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.526 0.609 -4.829 1.00 0.00 H new ATOM 0 HG LEU A 19 11.287 2.915 -3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.494 3.192 -1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.201 2.610 -2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.011 1.479 -1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.846 2.589 -2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.455 0.853 -2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.271 1.568 -3.429 1.00 0.00 H new ATOM 264 N ALA A 20 8.921 2.982 -6.363 1.00 0.00 N ATOM 265 CA ALA A 20 9.099 3.894 -7.486 1.00 0.00 C ATOM 266 C ALA A 20 10.508 4.478 -7.501 1.00 0.00 C ATOM 267 O ALA A 20 11.111 4.640 -8.562 1.00 0.00 O ATOM 268 CB ALA A 20 8.064 5.007 -7.431 1.00 0.00 C ATOM 0 H ALA A 20 8.127 3.203 -5.762 1.00 0.00 H new ATOM 0 HA ALA A 20 8.959 3.329 -8.407 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.209 5.681 -8.276 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.064 4.576 -7.478 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.177 5.563 -6.500 1.00 0.00 H new ATOM 274 N ASP A 21 11.025 4.793 -6.319 1.00 0.00 N ATOM 275 CA ASP A 21 12.363 5.359 -6.196 1.00 0.00 C ATOM 276 C ASP A 21 13.419 4.369 -6.679 1.00 0.00 C ATOM 277 O ASP A 21 14.467 4.764 -7.188 1.00 0.00 O ATOM 278 CB ASP A 21 12.642 5.754 -4.745 1.00 0.00 C ATOM 279 CG ASP A 21 13.968 6.471 -4.585 1.00 0.00 C ATOM 280 OD1 ASP A 21 15.005 5.783 -4.475 1.00 0.00 O ATOM 281 OD2 ASP A 21 13.969 7.719 -4.570 1.00 0.00 O ATOM 0 H ASP A 21 10.538 4.666 -5.432 1.00 0.00 H new ATOM 0 HA ASP A 21 12.412 6.250 -6.823 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.839 6.397 -4.386 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.638 4.860 -4.121 1.00 0.00 H new ATOM 286 N GLN A 22 13.134 3.081 -6.513 1.00 0.00 N ATOM 287 CA GLN A 22 14.060 2.035 -6.930 1.00 0.00 C ATOM 288 C GLN A 22 13.371 1.032 -7.849 1.00 0.00 C ATOM 289 O GLN A 22 12.767 0.057 -7.403 1.00 0.00 O ATOM 290 CB GLN A 22 14.633 1.314 -5.708 1.00 0.00 C ATOM 291 CG GLN A 22 15.151 2.256 -4.633 1.00 0.00 C ATOM 292 CD GLN A 22 16.043 1.558 -3.626 1.00 0.00 C ATOM 293 OE1 GLN A 22 17.067 0.977 -3.984 1.00 0.00 O ATOM 294 NE2 GLN A 22 15.657 1.612 -2.356 1.00 0.00 N ATOM 0 H GLN A 22 12.270 2.737 -6.093 1.00 0.00 H new ATOM 0 HA GLN A 22 14.874 2.505 -7.481 1.00 0.00 H new ATOM 0 HB2 GLN A 22 13.861 0.675 -5.278 1.00 0.00 H new ATOM 0 HB3 GLN A 22 15.445 0.661 -6.029 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.706 3.068 -5.103 1.00 0.00 H new ATOM 0 HG3 GLN A 22 14.306 2.707 -4.113 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.800 2.105 -2.104 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.217 1.161 -1.633 1.00 0.00 H new ATOM 303 N PRO A 23 13.462 1.276 -9.165 1.00 0.00 N ATOM 304 CA PRO A 23 12.853 0.405 -10.175 1.00 0.00 C ATOM 305 C PRO A 23 13.555 -0.944 -10.277 1.00 0.00 C ATOM 306 O PRO A 23 13.075 -1.857 -10.951 1.00 0.00 O ATOM 307 CB PRO A 23 13.023 1.196 -11.475 1.00 0.00 C ATOM 308 CG PRO A 23 14.202 2.075 -11.231 1.00 0.00 C ATOM 309 CD PRO A 23 14.167 2.419 -9.768 1.00 0.00 C ATOM 0 HA PRO A 23 11.816 0.168 -9.936 1.00 0.00 H new ATOM 0 HB2 PRO A 23 13.192 0.533 -12.323 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.132 1.782 -11.702 1.00 0.00 H new ATOM 0 HG2 PRO A 23 15.130 1.564 -11.490 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.152 2.974 -11.845 1.00 0.00 H new ATOM 0 HD2 PRO A 23 15.170 2.534 -9.358 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.640 3.356 -9.588 1.00 0.00 H new ATOM 317 N LEU A 24 14.694 -1.065 -9.604 1.00 0.00 N ATOM 318 CA LEU A 24 15.463 -2.305 -9.619 1.00 0.00 C ATOM 319 C LEU A 24 15.143 -3.158 -8.396 1.00 0.00 C ATOM 320 O LEU A 24 15.151 -4.387 -8.465 1.00 0.00 O ATOM 321 CB LEU A 24 16.962 -1.998 -9.662 1.00 0.00 C ATOM 322 CG LEU A 24 17.416 -1.023 -10.750 1.00 0.00 C ATOM 323 CD1 LEU A 24 18.794 -0.468 -10.427 1.00 0.00 C ATOM 324 CD2 LEU A 24 17.418 -1.705 -12.110 1.00 0.00 C ATOM 0 H LEU A 24 15.105 -0.320 -9.041 1.00 0.00 H new ATOM 0 HA LEU A 24 15.187 -2.865 -10.513 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.258 -1.594 -8.694 1.00 0.00 H new ATOM 0 HB3 LEU A 24 17.501 -2.936 -9.795 1.00 0.00 H new ATOM 0 HG LEU A 24 16.711 -0.192 -10.784 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.101 0.224 -11.212 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.760 0.058 -9.473 1.00 0.00 H new ATOM 0 HD13 LEU A 24 19.511 -1.287 -10.365 1.00 0.00 H new ATOM 0 HD21 LEU A 24 17.744 -0.997 -12.872 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.100 -2.555 -12.090 1.00 0.00 H new ATOM 0 HD23 LEU A 24 16.412 -2.053 -12.344 1.00 0.00 H new ATOM 336 N ALA A 25 14.860 -2.498 -7.278 1.00 0.00 N ATOM 337 CA ALA A 25 14.532 -3.197 -6.041 1.00 0.00 C ATOM 338 C ALA A 25 13.530 -4.318 -6.292 1.00 0.00 C ATOM 339 O ALA A 25 12.700 -4.250 -7.199 1.00 0.00 O ATOM 340 CB ALA A 25 13.985 -2.219 -5.012 1.00 0.00 C ATOM 0 H ALA A 25 14.851 -1.481 -7.203 1.00 0.00 H new ATOM 0 HA ALA A 25 15.447 -3.644 -5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.744 -2.754 -4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 25 14.734 -1.456 -4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.084 -1.746 -5.403 1.00 0.00 H new ATOM 346 N PRO A 26 13.608 -5.377 -5.472 1.00 0.00 N ATOM 347 CA PRO A 26 12.715 -6.534 -5.587 1.00 0.00 C ATOM 348 C PRO A 26 11.282 -6.203 -5.183 1.00 0.00 C ATOM 349 O PRO A 26 11.049 -5.343 -4.334 1.00 0.00 O ATOM 350 CB PRO A 26 13.323 -7.549 -4.616 1.00 0.00 C ATOM 351 CG PRO A 26 14.062 -6.724 -3.619 1.00 0.00 C ATOM 352 CD PRO A 26 14.573 -5.526 -4.370 1.00 0.00 C ATOM 0 HA PRO A 26 12.645 -6.894 -6.613 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.550 -8.151 -4.137 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.991 -8.239 -5.132 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.408 -6.422 -2.801 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.884 -7.288 -3.178 1.00 0.00 H new ATOM 0 HD2 PRO A 26 14.602 -4.638 -3.738 1.00 0.00 H new ATOM 0 HD3 PRO A 26 15.585 -5.686 -4.741 1.00 0.00 H new ATOM 360 N LYS A 27 10.325 -6.891 -5.796 1.00 0.00 N ATOM 361 CA LYS A 27 8.915 -6.672 -5.500 1.00 0.00 C ATOM 362 C LYS A 27 8.547 -7.256 -4.140 1.00 0.00 C ATOM 363 O LYS A 27 9.011 -8.335 -3.772 1.00 0.00 O ATOM 364 CB LYS A 27 8.040 -7.298 -6.589 1.00 0.00 C ATOM 365 CG LYS A 27 6.554 -7.061 -6.387 1.00 0.00 C ATOM 366 CD LYS A 27 5.914 -8.182 -5.586 1.00 0.00 C ATOM 367 CE LYS A 27 5.544 -9.360 -6.474 1.00 0.00 C ATOM 368 NZ LYS A 27 6.725 -10.214 -6.784 1.00 0.00 N ATOM 0 H LYS A 27 10.501 -7.606 -6.502 1.00 0.00 H new ATOM 0 HA LYS A 27 8.738 -5.597 -5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.335 -6.894 -7.557 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.227 -8.371 -6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.403 -6.112 -5.872 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.063 -6.979 -7.357 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.602 -8.513 -4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.021 -7.809 -5.084 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.781 -9.961 -5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.108 -8.992 -7.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.405 -11.170 -7.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.251 -9.802 -7.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.344 -10.266 -5.950 1.00 0.00 H new ATOM 382 N SER A 28 7.710 -6.538 -3.399 1.00 0.00 N ATOM 383 CA SER A 28 7.282 -6.985 -2.078 1.00 0.00 C ATOM 384 C SER A 28 5.843 -7.489 -2.115 1.00 0.00 C ATOM 385 O SER A 28 5.078 -7.150 -3.019 1.00 0.00 O ATOM 386 CB SER A 28 7.410 -5.845 -1.065 1.00 0.00 C ATOM 387 OG SER A 28 7.319 -4.583 -1.703 1.00 0.00 O ATOM 0 H SER A 28 7.314 -5.644 -3.690 1.00 0.00 H new ATOM 0 HA SER A 28 7.928 -7.808 -1.772 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.626 -5.933 -0.313 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.363 -5.924 -0.543 1.00 0.00 H new ATOM 0 HG SER A 28 6.854 -4.682 -2.560 1.00 0.00 H new ATOM 393 N ILE A 29 5.481 -8.300 -1.127 1.00 0.00 N ATOM 394 CA ILE A 29 4.134 -8.850 -1.045 1.00 0.00 C ATOM 395 C ILE A 29 3.386 -8.297 0.163 1.00 0.00 C ATOM 396 O ILE A 29 3.844 -8.422 1.300 1.00 0.00 O ATOM 397 CB ILE A 29 4.158 -10.388 -0.961 1.00 0.00 C ATOM 398 CG1 ILE A 29 4.949 -10.972 -2.133 1.00 0.00 C ATOM 399 CG2 ILE A 29 2.740 -10.940 -0.943 1.00 0.00 C ATOM 400 CD1 ILE A 29 4.388 -10.598 -3.487 1.00 0.00 C ATOM 0 H ILE A 29 6.102 -8.591 -0.372 1.00 0.00 H new ATOM 0 HA ILE A 29 3.616 -8.552 -1.957 1.00 0.00 H new ATOM 0 HB ILE A 29 4.651 -10.679 -0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.982 -10.630 -2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.967 -12.058 -2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.774 -12.028 -0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.207 -10.546 -0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.222 -10.642 -1.855 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.999 -11.047 -4.270 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.365 -10.964 -3.570 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.396 -9.514 -3.597 1.00 0.00 H new ATOM 412 N LEU A 30 2.233 -7.688 -0.089 1.00 0.00 N ATOM 413 CA LEU A 30 1.420 -7.117 0.979 1.00 0.00 C ATOM 414 C LEU A 30 0.160 -7.946 1.206 1.00 0.00 C ATOM 415 O LEU A 30 -0.604 -8.198 0.275 1.00 0.00 O ATOM 416 CB LEU A 30 1.040 -5.674 0.642 1.00 0.00 C ATOM 417 CG LEU A 30 0.460 -4.847 1.789 1.00 0.00 C ATOM 418 CD1 LEU A 30 1.490 -4.671 2.894 1.00 0.00 C ATOM 419 CD2 LEU A 30 -0.019 -3.494 1.283 1.00 0.00 C ATOM 0 H LEU A 30 1.840 -7.577 -1.024 1.00 0.00 H new ATOM 0 HA LEU A 30 2.010 -7.126 1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.927 -5.164 0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.314 -5.691 -0.170 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.396 -5.382 2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.059 -4.080 3.702 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.784 -5.648 3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.366 -4.158 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.429 -2.919 2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.819 -2.952 0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.791 -3.641 0.528 1.00 0.00 H new ATOM 431 N GLN A 31 -0.050 -8.365 2.450 1.00 0.00 N ATOM 432 CA GLN A 31 -1.218 -9.164 2.799 1.00 0.00 C ATOM 433 C GLN A 31 -2.146 -8.393 3.732 1.00 0.00 C ATOM 434 O GLN A 31 -1.961 -8.396 4.950 1.00 0.00 O ATOM 435 CB GLN A 31 -0.787 -10.475 3.459 1.00 0.00 C ATOM 436 CG GLN A 31 -0.279 -11.514 2.472 1.00 0.00 C ATOM 437 CD GLN A 31 -0.208 -12.904 3.073 1.00 0.00 C ATOM 438 OE1 GLN A 31 0.538 -13.146 4.023 1.00 0.00 O ATOM 439 NE2 GLN A 31 -0.987 -13.828 2.522 1.00 0.00 N ATOM 0 H GLN A 31 0.573 -8.164 3.232 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.760 -9.389 1.881 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.004 -10.265 4.188 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.632 -10.890 4.009 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.933 -11.532 1.600 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.711 -11.223 2.121 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.590 -13.584 1.736 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.982 -14.781 2.885 1.00 0.00 H new ATOM 448 N LEU A 32 -3.144 -7.734 3.154 1.00 0.00 N ATOM 449 CA LEU A 32 -4.102 -6.957 3.934 1.00 0.00 C ATOM 450 C LEU A 32 -4.912 -7.861 4.857 1.00 0.00 C ATOM 451 O LEU A 32 -5.125 -9.042 4.580 1.00 0.00 O ATOM 452 CB LEU A 32 -5.040 -6.185 3.004 1.00 0.00 C ATOM 453 CG LEU A 32 -5.924 -7.033 2.088 1.00 0.00 C ATOM 454 CD1 LEU A 32 -7.239 -7.367 2.776 1.00 0.00 C ATOM 455 CD2 LEU A 32 -6.176 -6.310 0.773 1.00 0.00 C ATOM 0 H LEU A 32 -3.311 -7.722 2.148 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.545 -6.248 4.547 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.685 -5.553 3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.438 -5.522 2.383 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.403 -7.966 1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.855 -7.971 2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.040 -7.925 3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.766 -6.445 3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.807 -6.927 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.676 -5.362 0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.226 -6.122 0.273 1.00 0.00 H new ATOM 467 N PRO A 33 -5.379 -7.295 5.980 1.00 0.00 N ATOM 468 CA PRO A 33 -6.176 -8.032 6.965 1.00 0.00 C ATOM 469 C PRO A 33 -7.568 -8.376 6.444 1.00 0.00 C ATOM 470 O PRO A 33 -8.092 -7.703 5.557 1.00 0.00 O ATOM 471 CB PRO A 33 -6.272 -7.058 8.143 1.00 0.00 C ATOM 472 CG PRO A 33 -6.103 -5.709 7.534 1.00 0.00 C ATOM 473 CD PRO A 33 -5.164 -5.893 6.374 1.00 0.00 C ATOM 0 HA PRO A 33 -5.724 -8.990 7.221 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.232 -7.145 8.652 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.499 -7.257 8.885 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.061 -5.308 7.201 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.696 -5.002 8.257 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.393 -5.207 5.559 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.129 -5.711 6.662 1.00 0.00 H new ATOM 481 N GLU A 34 -8.160 -9.427 7.002 1.00 0.00 N ATOM 482 CA GLU A 34 -9.491 -9.859 6.592 1.00 0.00 C ATOM 483 C GLU A 34 -10.491 -8.711 6.691 1.00 0.00 C ATOM 484 O GLU A 34 -10.181 -7.647 7.228 1.00 0.00 O ATOM 485 CB GLU A 34 -9.959 -11.032 7.456 1.00 0.00 C ATOM 486 CG GLU A 34 -9.096 -12.275 7.314 1.00 0.00 C ATOM 487 CD GLU A 34 -9.479 -13.367 8.294 1.00 0.00 C ATOM 488 OE1 GLU A 34 -10.680 -13.699 8.373 1.00 0.00 O ATOM 489 OE2 GLU A 34 -8.577 -13.889 8.982 1.00 0.00 O ATOM 0 H GLU A 34 -7.740 -9.994 7.738 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.436 -10.181 5.552 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.966 -10.722 8.501 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.986 -11.281 7.190 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.182 -12.658 6.297 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.051 -12.006 7.466 1.00 0.00 H new ATOM 496 N THR A 35 -11.692 -8.933 6.167 1.00 0.00 N ATOM 497 CA THR A 35 -12.737 -7.917 6.194 1.00 0.00 C ATOM 498 C THR A 35 -14.082 -8.523 6.579 1.00 0.00 C ATOM 499 O THR A 35 -14.203 -9.736 6.742 1.00 0.00 O ATOM 500 CB THR A 35 -12.875 -7.217 4.829 1.00 0.00 C ATOM 501 OG1 THR A 35 -14.076 -6.438 4.797 1.00 0.00 O ATOM 502 CG2 THR A 35 -12.894 -8.234 3.698 1.00 0.00 C ATOM 0 H THR A 35 -11.965 -9.807 5.719 1.00 0.00 H new ATOM 0 HA THR A 35 -12.444 -7.182 6.943 1.00 0.00 H new ATOM 0 HB THR A 35 -12.014 -6.562 4.693 1.00 0.00 H new ATOM 0 HG1 THR A 35 -14.155 -5.995 3.927 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.992 -7.716 2.744 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.966 -8.805 3.707 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.738 -8.911 3.832 1.00 0.00 H new ATOM 510 N GLU A 36 -15.091 -7.669 6.723 1.00 0.00 N ATOM 511 CA GLU A 36 -16.428 -8.121 7.090 1.00 0.00 C ATOM 512 C GLU A 36 -17.171 -8.665 5.873 1.00 0.00 C ATOM 513 O GLU A 36 -18.159 -9.388 6.007 1.00 0.00 O ATOM 514 CB GLU A 36 -17.224 -6.975 7.717 1.00 0.00 C ATOM 515 CG GLU A 36 -17.434 -5.796 6.782 1.00 0.00 C ATOM 516 CD GLU A 36 -18.078 -4.610 7.473 1.00 0.00 C ATOM 517 OE1 GLU A 36 -17.469 -4.077 8.425 1.00 0.00 O ATOM 518 OE2 GLU A 36 -19.190 -4.216 7.064 1.00 0.00 O ATOM 0 H GLU A 36 -15.008 -6.661 6.591 1.00 0.00 H new ATOM 0 HA GLU A 36 -16.325 -8.924 7.820 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -18.196 -7.351 8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.705 -6.630 8.612 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -16.474 -5.492 6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -18.059 -6.108 5.945 1.00 0.00 H new ATOM 525 N LEU A 37 -16.689 -8.313 4.687 1.00 0.00 N ATOM 526 CA LEU A 37 -17.306 -8.764 3.445 1.00 0.00 C ATOM 527 C LEU A 37 -16.806 -10.153 3.062 1.00 0.00 C ATOM 528 O LEU A 37 -15.931 -10.713 3.721 1.00 0.00 O ATOM 529 CB LEU A 37 -17.012 -7.774 2.316 1.00 0.00 C ATOM 530 CG LEU A 37 -18.033 -6.653 2.124 1.00 0.00 C ATOM 531 CD1 LEU A 37 -19.364 -7.218 1.650 1.00 0.00 C ATOM 532 CD2 LEU A 37 -18.214 -5.869 3.416 1.00 0.00 C ATOM 0 H LEU A 37 -15.872 -7.716 4.559 1.00 0.00 H new ATOM 0 HA LEU A 37 -18.383 -8.816 3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -16.037 -7.323 2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -16.934 -8.331 1.382 1.00 0.00 H new ATOM 0 HG LEU A 37 -17.657 -5.973 1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -20.078 -6.405 1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.223 -7.734 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -19.746 -7.920 2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -18.944 -5.075 3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -18.567 -6.538 4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -17.261 -5.432 3.713 1.00 0.00 H new ATOM 544 N GLY A 38 -17.367 -10.704 1.989 1.00 0.00 N ATOM 545 CA GLY A 38 -16.964 -12.022 1.535 1.00 0.00 C ATOM 546 C GLY A 38 -15.521 -12.060 1.073 1.00 0.00 C ATOM 547 O GLY A 38 -14.638 -11.512 1.731 1.00 0.00 O ATOM 0 H GLY A 38 -18.093 -10.261 1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -17.102 -12.739 2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.613 -12.335 0.717 1.00 0.00 H new ATOM 551 N GLU A 39 -15.282 -12.709 -0.062 1.00 0.00 N ATOM 552 CA GLU A 39 -13.935 -12.818 -0.610 1.00 0.00 C ATOM 553 C GLU A 39 -13.831 -12.092 -1.948 1.00 0.00 C ATOM 554 O GLU A 39 -12.764 -11.603 -2.320 1.00 0.00 O ATOM 555 CB GLU A 39 -13.548 -14.288 -0.783 1.00 0.00 C ATOM 556 CG GLU A 39 -14.363 -15.011 -1.842 1.00 0.00 C ATOM 557 CD GLU A 39 -14.281 -16.520 -1.713 1.00 0.00 C ATOM 558 OE1 GLU A 39 -14.594 -17.039 -0.621 1.00 0.00 O ATOM 559 OE2 GLU A 39 -13.903 -17.181 -2.702 1.00 0.00 O ATOM 0 H GLU A 39 -16.003 -13.167 -0.620 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.246 -12.349 0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.492 -14.349 -1.045 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.670 -14.802 0.171 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -15.405 -14.700 -1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -14.011 -14.715 -2.830 1.00 0.00 H new ATOM 566 N TYR A 40 -14.946 -12.028 -2.667 1.00 0.00 N ATOM 567 CA TYR A 40 -14.981 -11.365 -3.966 1.00 0.00 C ATOM 568 C TYR A 40 -14.305 -9.999 -3.898 1.00 0.00 C ATOM 569 O TYR A 40 -13.934 -9.530 -2.823 1.00 0.00 O ATOM 570 CB TYR A 40 -16.426 -11.209 -4.443 1.00 0.00 C ATOM 571 CG TYR A 40 -17.423 -11.057 -3.316 1.00 0.00 C ATOM 572 CD1 TYR A 40 -17.127 -10.286 -2.199 1.00 0.00 C ATOM 573 CD2 TYR A 40 -18.661 -11.685 -3.369 1.00 0.00 C ATOM 574 CE1 TYR A 40 -18.034 -10.145 -1.167 1.00 0.00 C ATOM 575 CE2 TYR A 40 -19.576 -11.549 -2.342 1.00 0.00 C ATOM 576 CZ TYR A 40 -19.257 -10.778 -1.243 1.00 0.00 C ATOM 577 OH TYR A 40 -20.164 -10.640 -0.218 1.00 0.00 O ATOM 0 H TYR A 40 -15.837 -12.427 -2.373 1.00 0.00 H new ATOM 0 HA TYR A 40 -14.436 -11.985 -4.678 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -16.492 -10.338 -5.095 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -16.698 -12.078 -5.042 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -16.171 -9.788 -2.136 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -18.913 -12.290 -4.227 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -17.787 -9.542 -0.305 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -20.535 -12.043 -2.399 1.00 0.00 H new ATOM 0 HH TYR A 40 -20.975 -11.148 -0.428 1.00 0.00 H new ATOM 587 N SER A 41 -14.149 -9.366 -5.057 1.00 0.00 N ATOM 588 CA SER A 41 -13.515 -8.055 -5.132 1.00 0.00 C ATOM 589 C SER A 41 -13.906 -7.193 -3.935 1.00 0.00 C ATOM 590 O SER A 41 -15.019 -6.670 -3.869 1.00 0.00 O ATOM 591 CB SER A 41 -13.905 -7.350 -6.432 1.00 0.00 C ATOM 592 OG SER A 41 -13.376 -8.027 -7.558 1.00 0.00 O ATOM 0 H SER A 41 -14.453 -9.740 -5.956 1.00 0.00 H new ATOM 0 HA SER A 41 -12.435 -8.200 -5.116 1.00 0.00 H new ATOM 0 HB2 SER A 41 -14.991 -7.300 -6.511 1.00 0.00 H new ATOM 0 HB3 SER A 41 -13.539 -6.323 -6.416 1.00 0.00 H new ATOM 0 HG SER A 41 -13.641 -7.557 -8.376 1.00 0.00 H new ATOM 598 N LEU A 42 -12.983 -7.050 -2.991 1.00 0.00 N ATOM 599 CA LEU A 42 -13.230 -6.251 -1.795 1.00 0.00 C ATOM 600 C LEU A 42 -14.086 -5.032 -2.121 1.00 0.00 C ATOM 601 O LEU A 42 -15.114 -4.795 -1.488 1.00 0.00 O ATOM 602 CB LEU A 42 -11.905 -5.807 -1.172 1.00 0.00 C ATOM 603 CG LEU A 42 -10.871 -6.909 -0.936 1.00 0.00 C ATOM 604 CD1 LEU A 42 -9.581 -6.321 -0.386 1.00 0.00 C ATOM 605 CD2 LEU A 42 -11.424 -7.965 0.009 1.00 0.00 C ATOM 0 H LEU A 42 -12.057 -7.476 -3.030 1.00 0.00 H new ATOM 0 HA LEU A 42 -13.771 -6.870 -1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.459 -5.050 -1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.119 -5.326 -0.217 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.650 -7.385 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.857 -7.120 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.176 -5.603 -1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.784 -5.819 0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.675 -8.741 0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.673 -7.503 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.320 -8.408 -0.425 1.00 0.00 H new ATOM 617 N GLY A 43 -13.655 -4.262 -3.116 1.00 0.00 N ATOM 618 CA GLY A 43 -14.395 -3.078 -3.511 1.00 0.00 C ATOM 619 C GLY A 43 -14.999 -2.349 -2.327 1.00 0.00 C ATOM 620 O GLY A 43 -16.217 -2.326 -2.159 1.00 0.00 O ATOM 0 H GLY A 43 -12.807 -4.437 -3.655 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.731 -2.402 -4.050 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -15.189 -3.363 -4.201 1.00 0.00 H new ATOM 624 N GLY A 44 -14.143 -1.754 -1.501 1.00 0.00 N ATOM 625 CA GLY A 44 -14.618 -1.032 -0.335 1.00 0.00 C ATOM 626 C GLY A 44 -13.491 -0.390 0.449 1.00 0.00 C ATOM 627 O GLY A 44 -13.671 0.663 1.059 1.00 0.00 O ATOM 0 H GLY A 44 -13.130 -1.759 -1.619 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -15.322 -0.262 -0.650 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.164 -1.716 0.314 1.00 0.00 H new ATOM 631 N TYR A 45 -12.325 -1.027 0.434 1.00 0.00 N ATOM 632 CA TYR A 45 -11.165 -0.514 1.152 1.00 0.00 C ATOM 633 C TYR A 45 -10.795 0.883 0.663 1.00 0.00 C ATOM 634 O TYR A 45 -10.873 1.176 -0.530 1.00 0.00 O ATOM 635 CB TYR A 45 -9.974 -1.459 0.980 1.00 0.00 C ATOM 636 CG TYR A 45 -9.962 -2.604 1.967 1.00 0.00 C ATOM 637 CD1 TYR A 45 -9.334 -2.477 3.200 1.00 0.00 C ATOM 638 CD2 TYR A 45 -10.576 -3.813 1.666 1.00 0.00 C ATOM 639 CE1 TYR A 45 -9.320 -3.521 4.105 1.00 0.00 C ATOM 640 CE2 TYR A 45 -10.568 -4.862 2.565 1.00 0.00 C ATOM 641 CZ TYR A 45 -9.939 -4.711 3.783 1.00 0.00 C ATOM 642 OH TYR A 45 -9.928 -5.754 4.681 1.00 0.00 O ATOM 0 H TYR A 45 -12.159 -1.899 -0.068 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.422 -0.452 2.209 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -9.985 -1.863 -0.032 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.051 -0.889 1.086 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.849 -1.547 3.455 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -11.068 -3.935 0.713 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.827 -3.406 5.059 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -11.052 -5.795 2.315 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.031 -6.148 4.714 1.00 0.00 H new ATOM 652 N SER A 46 -10.391 1.741 1.594 1.00 0.00 N ATOM 653 CA SER A 46 -10.012 3.109 1.260 1.00 0.00 C ATOM 654 C SER A 46 -8.510 3.211 1.011 1.00 0.00 C ATOM 655 O SER A 46 -7.702 2.783 1.836 1.00 0.00 O ATOM 656 CB SER A 46 -10.419 4.063 2.385 1.00 0.00 C ATOM 657 OG SER A 46 -11.827 4.092 2.543 1.00 0.00 O ATOM 0 H SER A 46 -10.318 1.513 2.586 1.00 0.00 H new ATOM 0 HA SER A 46 -10.535 3.392 0.346 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.951 3.750 3.319 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.054 5.066 2.166 1.00 0.00 H new ATOM 0 HG SER A 46 -12.062 4.707 3.269 1.00 0.00 H new ATOM 663 N ILE A 47 -8.143 3.780 -0.132 1.00 0.00 N ATOM 664 CA ILE A 47 -6.739 3.939 -0.490 1.00 0.00 C ATOM 665 C ILE A 47 -5.891 4.248 0.738 1.00 0.00 C ATOM 666 O ILE A 47 -4.862 3.613 0.970 1.00 0.00 O ATOM 667 CB ILE A 47 -6.547 5.061 -1.528 1.00 0.00 C ATOM 668 CG1 ILE A 47 -7.214 4.681 -2.851 1.00 0.00 C ATOM 669 CG2 ILE A 47 -5.066 5.341 -1.737 1.00 0.00 C ATOM 670 CD1 ILE A 47 -6.628 3.441 -3.489 1.00 0.00 C ATOM 0 H ILE A 47 -8.799 4.139 -0.826 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.414 2.993 -0.924 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.019 5.969 -1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.279 4.523 -2.679 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.124 5.515 -3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.946 6.136 -2.473 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.617 5.650 -0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.572 4.438 -2.095 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.149 3.231 -4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.569 3.602 -3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.742 2.595 -2.812 1.00 0.00 H new ATOM 682 N SER A 48 -6.330 5.226 1.524 1.00 0.00 N ATOM 683 CA SER A 48 -5.609 5.621 2.729 1.00 0.00 C ATOM 684 C SER A 48 -5.113 4.396 3.491 1.00 0.00 C ATOM 685 O SER A 48 -3.932 4.294 3.824 1.00 0.00 O ATOM 686 CB SER A 48 -6.508 6.468 3.632 1.00 0.00 C ATOM 687 OG SER A 48 -5.746 7.394 4.386 1.00 0.00 O ATOM 0 H SER A 48 -7.181 5.759 1.348 1.00 0.00 H new ATOM 0 HA SER A 48 -4.746 6.215 2.428 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.239 7.003 3.025 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.067 5.819 4.306 1.00 0.00 H new ATOM 0 HG SER A 48 -6.344 7.924 4.954 1.00 0.00 H new ATOM 693 N PHE A 49 -6.024 3.467 3.763 1.00 0.00 N ATOM 694 CA PHE A 49 -5.680 2.249 4.487 1.00 0.00 C ATOM 695 C PHE A 49 -4.346 1.687 4.004 1.00 0.00 C ATOM 696 O PHE A 49 -3.367 1.653 4.750 1.00 0.00 O ATOM 697 CB PHE A 49 -6.781 1.200 4.314 1.00 0.00 C ATOM 698 CG PHE A 49 -6.643 0.027 5.241 1.00 0.00 C ATOM 699 CD1 PHE A 49 -6.458 0.220 6.601 1.00 0.00 C ATOM 700 CD2 PHE A 49 -6.698 -1.269 4.754 1.00 0.00 C ATOM 701 CE1 PHE A 49 -6.329 -0.858 7.456 1.00 0.00 C ATOM 702 CE2 PHE A 49 -6.571 -2.351 5.604 1.00 0.00 C ATOM 703 CZ PHE A 49 -6.387 -2.145 6.958 1.00 0.00 C ATOM 0 H PHE A 49 -7.005 3.535 3.493 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.587 2.498 5.544 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.750 1.671 4.479 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.772 0.842 3.284 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.414 1.224 6.997 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.842 -1.436 3.697 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.183 -0.694 8.513 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.615 -3.356 5.211 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.289 -2.988 7.625 1.00 0.00 H new ATOM 713 N LEU A 50 -4.316 1.246 2.751 1.00 0.00 N ATOM 714 CA LEU A 50 -3.103 0.684 2.166 1.00 0.00 C ATOM 715 C LEU A 50 -1.894 1.561 2.474 1.00 0.00 C ATOM 716 O LEU A 50 -0.915 1.103 3.063 1.00 0.00 O ATOM 717 CB LEU A 50 -3.266 0.533 0.653 1.00 0.00 C ATOM 718 CG LEU A 50 -3.977 -0.735 0.178 1.00 0.00 C ATOM 719 CD1 LEU A 50 -4.295 -0.643 -1.307 1.00 0.00 C ATOM 720 CD2 LEU A 50 -3.128 -1.964 0.468 1.00 0.00 C ATOM 0 H LEU A 50 -5.118 1.267 2.121 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.937 -0.299 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.817 1.396 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.277 0.564 0.196 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.915 -0.829 0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.801 -1.554 -1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.943 0.215 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.370 -0.524 -1.871 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.650 -2.857 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.174 -1.878 -0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.951 -2.039 1.541 1.00 0.00 H new ATOM 732 N LYS A 51 -1.970 2.826 2.075 1.00 0.00 N ATOM 733 CA LYS A 51 -0.884 3.770 2.310 1.00 0.00 C ATOM 734 C LYS A 51 -0.314 3.604 3.716 1.00 0.00 C ATOM 735 O LYS A 51 0.834 3.962 3.975 1.00 0.00 O ATOM 736 CB LYS A 51 -1.376 5.205 2.114 1.00 0.00 C ATOM 737 CG LYS A 51 -2.002 5.453 0.753 1.00 0.00 C ATOM 738 CD LYS A 51 -2.307 6.926 0.538 1.00 0.00 C ATOM 739 CE LYS A 51 -1.121 7.658 -0.071 1.00 0.00 C ATOM 740 NZ LYS A 51 -0.211 8.204 0.973 1.00 0.00 N ATOM 0 H LYS A 51 -2.773 3.222 1.587 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.093 3.562 1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.107 5.439 2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.538 5.889 2.249 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.327 5.103 -0.028 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.921 4.874 0.663 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.173 7.028 -0.116 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.570 7.387 1.490 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.566 6.977 -0.716 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.481 8.472 -0.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.289 9.035 0.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.767 8.481 1.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.482 7.477 1.244 1.00 0.00 H new ATOM 754 N GLN A 52 -1.124 3.058 4.617 1.00 0.00 N ATOM 755 CA GLN A 52 -0.700 2.845 5.996 1.00 0.00 C ATOM 756 C GLN A 52 -0.019 1.489 6.152 1.00 0.00 C ATOM 757 O GLN A 52 1.072 1.391 6.716 1.00 0.00 O ATOM 758 CB GLN A 52 -1.898 2.939 6.941 1.00 0.00 C ATOM 759 CG GLN A 52 -2.699 4.222 6.783 1.00 0.00 C ATOM 760 CD GLN A 52 -3.411 4.626 8.059 1.00 0.00 C ATOM 761 OE1 GLN A 52 -3.530 3.834 8.994 1.00 0.00 O ATOM 762 NE2 GLN A 52 -3.890 5.864 8.103 1.00 0.00 N ATOM 0 H GLN A 52 -2.077 2.755 4.417 1.00 0.00 H new ATOM 0 HA GLN A 52 0.018 3.624 6.253 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.555 2.087 6.767 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.545 2.865 7.970 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.032 5.027 6.473 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.433 4.092 5.987 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.768 6.487 7.304 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.380 6.192 8.936 1.00 0.00 H new ATOM 771 N LEU A 53 -0.668 0.445 5.649 1.00 0.00 N ATOM 772 CA LEU A 53 -0.126 -0.906 5.733 1.00 0.00 C ATOM 773 C LEU A 53 1.228 -0.994 5.035 1.00 0.00 C ATOM 774 O LEU A 53 2.139 -1.672 5.511 1.00 0.00 O ATOM 775 CB LEU A 53 -1.100 -1.908 5.109 1.00 0.00 C ATOM 776 CG LEU A 53 -2.388 -2.168 5.891 1.00 0.00 C ATOM 777 CD1 LEU A 53 -3.477 -1.197 5.463 1.00 0.00 C ATOM 778 CD2 LEU A 53 -2.847 -3.606 5.698 1.00 0.00 C ATOM 0 H LEU A 53 -1.571 0.508 5.178 1.00 0.00 H new ATOM 0 HA LEU A 53 0.012 -1.150 6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.368 -1.552 4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.580 -2.857 4.979 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.186 -2.011 6.951 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.386 -1.397 6.030 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.148 -0.175 5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.678 -1.322 4.399 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.765 -3.774 6.261 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.032 -3.790 4.640 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.073 -4.286 6.054 1.00 0.00 H new ATOM 790 N ILE A 54 1.352 -0.303 3.907 1.00 0.00 N ATOM 791 CA ILE A 54 2.596 -0.300 3.147 1.00 0.00 C ATOM 792 C ILE A 54 3.706 0.413 3.911 1.00 0.00 C ATOM 793 O ILE A 54 4.767 -0.158 4.161 1.00 0.00 O ATOM 794 CB ILE A 54 2.415 0.376 1.775 1.00 0.00 C ATOM 795 CG1 ILE A 54 1.481 -0.453 0.892 1.00 0.00 C ATOM 796 CG2 ILE A 54 3.764 0.566 1.097 1.00 0.00 C ATOM 797 CD1 ILE A 54 0.653 0.380 -0.061 1.00 0.00 C ATOM 0 H ILE A 54 0.607 0.262 3.499 1.00 0.00 H new ATOM 0 HA ILE A 54 2.876 -1.342 2.995 1.00 0.00 H new ATOM 0 HB ILE A 54 1.964 1.357 1.926 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.074 -1.165 0.318 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.813 -1.034 1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.620 1.045 0.128 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.400 1.194 1.721 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.240 -0.404 0.955 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.015 -0.274 -0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.033 1.074 0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.314 0.941 -0.722 1.00 0.00 H new ATOM 809 N ALA A 55 3.453 1.664 4.280 1.00 0.00 N ATOM 810 CA ALA A 55 4.429 2.455 5.019 1.00 0.00 C ATOM 811 C ALA A 55 4.952 1.689 6.230 1.00 0.00 C ATOM 812 O ALA A 55 6.102 1.856 6.633 1.00 0.00 O ATOM 813 CB ALA A 55 3.817 3.778 5.453 1.00 0.00 C ATOM 0 H ALA A 55 2.580 2.152 4.079 1.00 0.00 H new ATOM 0 HA ALA A 55 5.272 2.657 4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.557 4.358 6.004 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.499 4.338 4.573 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.956 3.588 6.093 1.00 0.00 H new ATOM 819 N GLY A 56 4.098 0.849 6.807 1.00 0.00 N ATOM 820 CA GLY A 56 4.492 0.071 7.967 1.00 0.00 C ATOM 821 C GLY A 56 5.344 -1.127 7.599 1.00 0.00 C ATOM 822 O GLY A 56 6.209 -1.544 8.370 1.00 0.00 O ATOM 0 H GLY A 56 3.140 0.693 6.492 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.045 0.708 8.657 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.600 -0.269 8.493 1.00 0.00 H new ATOM 826 N LYS A 57 5.099 -1.685 6.419 1.00 0.00 N ATOM 827 CA LYS A 57 5.849 -2.844 5.949 1.00 0.00 C ATOM 828 C LYS A 57 7.197 -2.422 5.373 1.00 0.00 C ATOM 829 O LYS A 57 8.161 -3.188 5.399 1.00 0.00 O ATOM 830 CB LYS A 57 5.045 -3.603 4.890 1.00 0.00 C ATOM 831 CG LYS A 57 4.037 -4.577 5.475 1.00 0.00 C ATOM 832 CD LYS A 57 4.725 -5.740 6.171 1.00 0.00 C ATOM 833 CE LYS A 57 3.803 -6.944 6.287 1.00 0.00 C ATOM 834 NZ LYS A 57 2.844 -6.801 7.418 1.00 0.00 N ATOM 0 H LYS A 57 4.386 -1.353 5.769 1.00 0.00 H new ATOM 0 HA LYS A 57 6.027 -3.500 6.801 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.520 -2.885 4.260 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.734 -4.149 4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.395 -4.055 6.185 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.393 -4.956 4.681 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.621 -6.019 5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.048 -5.431 7.165 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.250 -7.069 5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.399 -7.846 6.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.233 -7.642 7.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.371 -6.707 8.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.258 -5.955 7.271 1.00 0.00 H new ATOM 848 N LEU A 58 7.257 -1.201 4.855 1.00 0.00 N ATOM 849 CA LEU A 58 8.489 -0.676 4.273 1.00 0.00 C ATOM 850 C LEU A 58 9.197 0.258 5.250 1.00 0.00 C ATOM 851 O LEU A 58 9.896 1.183 4.840 1.00 0.00 O ATOM 852 CB LEU A 58 8.185 0.065 2.970 1.00 0.00 C ATOM 853 CG LEU A 58 7.209 -0.626 2.017 1.00 0.00 C ATOM 854 CD1 LEU A 58 6.967 0.233 0.786 1.00 0.00 C ATOM 855 CD2 LEU A 58 7.733 -1.998 1.618 1.00 0.00 C ATOM 0 H LEU A 58 6.468 -0.555 4.825 1.00 0.00 H new ATOM 0 HA LEU A 58 9.149 -1.517 4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.784 1.047 3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.124 0.229 2.441 1.00 0.00 H new ATOM 0 HG LEU A 58 6.259 -0.759 2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.270 -0.275 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.546 1.192 1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.911 0.398 0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.025 -2.475 0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.696 -1.889 1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.853 -2.615 2.509 1.00 0.00 H new ATOM 867 N GLN A 59 9.012 0.006 6.541 1.00 0.00 N ATOM 868 CA GLN A 59 9.634 0.824 7.575 1.00 0.00 C ATOM 869 C GLN A 59 11.133 0.965 7.329 1.00 0.00 C ATOM 870 O GLN A 59 11.783 1.846 7.890 1.00 0.00 O ATOM 871 CB GLN A 59 9.388 0.213 8.956 1.00 0.00 C ATOM 872 CG GLN A 59 8.039 0.580 9.552 1.00 0.00 C ATOM 873 CD GLN A 59 8.089 1.856 10.369 1.00 0.00 C ATOM 874 OE1 GLN A 59 9.164 2.397 10.631 1.00 0.00 O ATOM 875 NE2 GLN A 59 6.924 2.344 10.778 1.00 0.00 N ATOM 0 H GLN A 59 8.437 -0.758 6.896 1.00 0.00 H new ATOM 0 HA GLN A 59 9.183 1.815 7.538 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.460 -0.872 8.882 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.176 0.539 9.634 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.311 0.696 8.749 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.691 -0.237 10.183 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.057 1.863 10.538 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.896 3.200 11.332 1.00 0.00 H new ATOM 884 N GLU A 60 11.674 0.090 6.487 1.00 0.00 N ATOM 885 CA GLU A 60 13.097 0.118 6.168 1.00 0.00 C ATOM 886 C GLU A 60 13.418 1.265 5.214 1.00 0.00 C ATOM 887 O GLU A 60 14.496 1.855 5.278 1.00 0.00 O ATOM 888 CB GLU A 60 13.529 -1.213 5.547 1.00 0.00 C ATOM 889 CG GLU A 60 12.882 -1.495 4.201 1.00 0.00 C ATOM 890 CD GLU A 60 13.668 -0.913 3.043 1.00 0.00 C ATOM 891 OE1 GLU A 60 14.603 -0.125 3.296 1.00 0.00 O ATOM 892 OE2 GLU A 60 13.348 -1.245 1.882 1.00 0.00 O ATOM 0 H GLU A 60 11.149 -0.646 6.014 1.00 0.00 H new ATOM 0 HA GLU A 60 13.648 0.274 7.095 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.612 -1.214 5.427 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.284 -2.022 6.235 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.788 -2.572 4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.873 -1.083 4.194 1.00 0.00 H new ATOM 899 N SER A 61 12.475 1.573 4.330 1.00 0.00 N ATOM 900 CA SER A 61 12.659 2.646 3.360 1.00 0.00 C ATOM 901 C SER A 61 11.702 3.801 3.639 1.00 0.00 C ATOM 902 O SER A 61 12.117 4.956 3.739 1.00 0.00 O ATOM 903 CB SER A 61 12.441 2.121 1.939 1.00 0.00 C ATOM 904 OG SER A 61 11.073 2.192 1.573 1.00 0.00 O ATOM 0 H SER A 61 11.576 1.095 4.265 1.00 0.00 H new ATOM 0 HA SER A 61 13.681 3.013 3.452 1.00 0.00 H new ATOM 0 HB2 SER A 61 13.039 2.703 1.237 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.785 1.089 1.872 1.00 0.00 H new ATOM 0 HG SER A 61 10.960 1.853 0.661 1.00 0.00 H new ATOM 910 N VAL A 62 10.418 3.481 3.764 1.00 0.00 N ATOM 911 CA VAL A 62 9.401 4.490 4.033 1.00 0.00 C ATOM 912 C VAL A 62 9.240 4.722 5.532 1.00 0.00 C ATOM 913 O VAL A 62 8.808 3.844 6.278 1.00 0.00 O ATOM 914 CB VAL A 62 8.039 4.087 3.438 1.00 0.00 C ATOM 915 CG1 VAL A 62 7.128 5.300 3.317 1.00 0.00 C ATOM 916 CG2 VAL A 62 8.226 3.414 2.087 1.00 0.00 C ATOM 0 H VAL A 62 10.057 2.530 3.683 1.00 0.00 H new ATOM 0 HA VAL A 62 9.737 5.412 3.559 1.00 0.00 H new ATOM 0 HB VAL A 62 7.565 3.373 4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.170 4.995 2.895 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.968 5.734 4.304 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.593 6.040 2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.253 3.136 1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.721 4.103 1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.838 2.520 2.207 1.00 0.00 H new ATOM 926 N PRO A 63 9.595 5.934 5.984 1.00 0.00 N ATOM 927 CA PRO A 63 9.497 6.311 7.397 1.00 0.00 C ATOM 928 C PRO A 63 8.052 6.453 7.861 1.00 0.00 C ATOM 929 O PRO A 63 7.656 5.877 8.875 1.00 0.00 O ATOM 930 CB PRO A 63 10.212 7.663 7.454 1.00 0.00 C ATOM 931 CG PRO A 63 10.089 8.215 6.076 1.00 0.00 C ATOM 932 CD PRO A 63 10.118 7.030 5.151 1.00 0.00 C ATOM 0 HA PRO A 63 9.932 5.555 8.051 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.751 8.324 8.188 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.257 7.546 7.742 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.162 8.776 5.962 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.907 8.902 5.856 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.500 7.194 4.268 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.128 6.820 4.798 1.00 0.00 H new ATOM 940 N ASP A 64 7.268 7.222 7.113 1.00 0.00 N ATOM 941 CA ASP A 64 5.865 7.438 7.448 1.00 0.00 C ATOM 942 C ASP A 64 5.007 7.483 6.187 1.00 0.00 C ATOM 943 O ASP A 64 5.463 7.865 5.109 1.00 0.00 O ATOM 944 CB ASP A 64 5.701 8.738 8.237 1.00 0.00 C ATOM 945 CG ASP A 64 5.834 8.528 9.732 1.00 0.00 C ATOM 946 OD1 ASP A 64 5.465 7.435 10.212 1.00 0.00 O ATOM 947 OD2 ASP A 64 6.304 9.456 10.423 1.00 0.00 O ATOM 0 H ASP A 64 7.580 7.706 6.271 1.00 0.00 H new ATOM 0 HA ASP A 64 5.531 6.603 8.065 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.450 9.457 7.906 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.725 9.171 8.019 1.00 0.00 H new ATOM 952 N PRO A 65 3.734 7.082 6.323 1.00 0.00 N ATOM 953 CA PRO A 65 2.786 7.066 5.205 1.00 0.00 C ATOM 954 C PRO A 65 2.398 8.470 4.754 1.00 0.00 C ATOM 955 O PRO A 65 2.004 8.676 3.607 1.00 0.00 O ATOM 956 CB PRO A 65 1.570 6.336 5.782 1.00 0.00 C ATOM 957 CG PRO A 65 1.656 6.560 7.252 1.00 0.00 C ATOM 958 CD PRO A 65 3.123 6.614 7.578 1.00 0.00 C ATOM 0 HA PRO A 65 3.207 6.589 4.320 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.640 6.733 5.375 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.595 5.273 5.541 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.159 7.488 7.535 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.164 5.755 7.799 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.326 7.297 8.403 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.506 5.636 7.871 1.00 0.00 H new ATOM 966 N GLU A 66 2.514 9.433 5.664 1.00 0.00 N ATOM 967 CA GLU A 66 2.175 10.818 5.357 1.00 0.00 C ATOM 968 C GLU A 66 3.287 11.484 4.552 1.00 0.00 C ATOM 969 O GLU A 66 3.042 12.425 3.795 1.00 0.00 O ATOM 970 CB GLU A 66 1.924 11.602 6.647 1.00 0.00 C ATOM 971 CG GLU A 66 0.908 10.949 7.569 1.00 0.00 C ATOM 972 CD GLU A 66 0.147 11.958 8.406 1.00 0.00 C ATOM 973 OE1 GLU A 66 -0.288 12.986 7.845 1.00 0.00 O ATOM 974 OE2 GLU A 66 -0.014 11.720 9.621 1.00 0.00 O ATOM 0 H GLU A 66 2.840 9.280 6.618 1.00 0.00 H new ATOM 0 HA GLU A 66 1.265 10.819 4.757 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.867 11.716 7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.579 12.604 6.392 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.202 10.370 6.974 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.419 10.247 8.228 1.00 0.00 H new ATOM 981 N LEU A 67 4.509 10.991 4.720 1.00 0.00 N ATOM 982 CA LEU A 67 5.659 11.538 4.010 1.00 0.00 C ATOM 983 C LEU A 67 5.881 10.808 2.689 1.00 0.00 C ATOM 984 O LEU A 67 6.963 10.878 2.104 1.00 0.00 O ATOM 985 CB LEU A 67 6.914 11.438 4.878 1.00 0.00 C ATOM 986 CG LEU A 67 6.758 11.873 6.336 1.00 0.00 C ATOM 987 CD1 LEU A 67 8.047 11.632 7.106 1.00 0.00 C ATOM 988 CD2 LEU A 67 6.354 13.338 6.415 1.00 0.00 C ATOM 0 H LEU A 67 4.729 10.213 5.342 1.00 0.00 H new ATOM 0 HA LEU A 67 5.456 12.587 3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.260 10.405 4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.697 12.043 4.421 1.00 0.00 H new ATOM 0 HG LEU A 67 5.969 11.274 6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.917 11.948 8.141 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.294 10.571 7.078 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.855 12.205 6.651 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.248 13.630 7.460 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.120 13.953 5.943 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.404 13.482 5.899 1.00 0.00 H new ATOM 1000 N ILE A 68 4.851 10.110 2.224 1.00 0.00 N ATOM 1001 CA ILE A 68 4.933 9.370 0.971 1.00 0.00 C ATOM 1002 C ILE A 68 3.601 9.395 0.230 1.00 0.00 C ATOM 1003 O ILE A 68 2.591 9.857 0.761 1.00 0.00 O ATOM 1004 CB ILE A 68 5.349 7.906 1.208 1.00 0.00 C ATOM 1005 CG1 ILE A 68 4.504 7.287 2.323 1.00 0.00 C ATOM 1006 CG2 ILE A 68 6.829 7.825 1.549 1.00 0.00 C ATOM 1007 CD1 ILE A 68 3.241 6.620 1.826 1.00 0.00 C ATOM 0 H ILE A 68 3.949 10.041 2.696 1.00 0.00 H new ATOM 0 HA ILE A 68 5.693 9.861 0.363 1.00 0.00 H new ATOM 0 HB ILE A 68 5.176 7.341 0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.106 6.553 2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.237 8.064 3.039 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.108 6.784 1.714 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.415 8.232 0.725 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.026 8.401 2.453 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.693 6.204 2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.618 7.355 1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.501 5.820 1.133 1.00 0.00 H new ATOM 1019 N ASP A 69 3.605 8.893 -1.000 1.00 0.00 N ATOM 1020 CA ASP A 69 2.396 8.854 -1.815 1.00 0.00 C ATOM 1021 C ASP A 69 2.260 7.510 -2.523 1.00 0.00 C ATOM 1022 O ASP A 69 3.255 6.838 -2.799 1.00 0.00 O ATOM 1023 CB ASP A 69 2.411 9.987 -2.842 1.00 0.00 C ATOM 1024 CG ASP A 69 2.393 11.357 -2.193 1.00 0.00 C ATOM 1025 OD1 ASP A 69 1.426 11.654 -1.462 1.00 0.00 O ATOM 1026 OD2 ASP A 69 3.346 12.132 -2.418 1.00 0.00 O ATOM 0 H ASP A 69 4.432 8.507 -1.455 1.00 0.00 H new ATOM 0 HA ASP A 69 1.538 8.984 -1.155 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.300 9.896 -3.466 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.548 9.888 -3.500 1.00 0.00 H new ATOM 1031 N LEU A 70 1.023 7.122 -2.813 1.00 0.00 N ATOM 1032 CA LEU A 70 0.757 5.856 -3.489 1.00 0.00 C ATOM 1033 C LEU A 70 0.411 6.085 -4.957 1.00 0.00 C ATOM 1034 O LEU A 70 -0.490 6.861 -5.278 1.00 0.00 O ATOM 1035 CB LEU A 70 -0.385 5.115 -2.793 1.00 0.00 C ATOM 1036 CG LEU A 70 -0.490 3.617 -3.085 1.00 0.00 C ATOM 1037 CD1 LEU A 70 0.847 2.932 -2.846 1.00 0.00 C ATOM 1038 CD2 LEU A 70 -1.577 2.982 -2.231 1.00 0.00 C ATOM 0 H LEU A 70 0.189 7.665 -2.591 1.00 0.00 H new ATOM 0 HA LEU A 70 1.660 5.248 -3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.275 5.248 -1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.325 5.587 -3.078 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.759 3.488 -4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.753 1.867 -3.059 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.601 3.368 -3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.146 3.070 -1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.637 1.916 -2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.339 3.121 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.535 3.453 -2.452 1.00 0.00 H new ATOM 1050 N ILE A 71 1.129 5.403 -5.842 1.00 0.00 N ATOM 1051 CA ILE A 71 0.895 5.530 -7.275 1.00 0.00 C ATOM 1052 C ILE A 71 0.489 4.193 -7.886 1.00 0.00 C ATOM 1053 O ILE A 71 1.117 3.165 -7.629 1.00 0.00 O ATOM 1054 CB ILE A 71 2.145 6.057 -8.005 1.00 0.00 C ATOM 1055 CG1 ILE A 71 2.740 7.246 -7.249 1.00 0.00 C ATOM 1056 CG2 ILE A 71 1.797 6.451 -9.433 1.00 0.00 C ATOM 1057 CD1 ILE A 71 1.768 8.388 -7.056 1.00 0.00 C ATOM 0 H ILE A 71 1.878 4.757 -5.592 1.00 0.00 H new ATOM 0 HA ILE A 71 0.083 6.246 -7.400 1.00 0.00 H new ATOM 0 HB ILE A 71 2.890 5.262 -8.039 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.089 6.908 -6.273 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.613 7.610 -7.791 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.690 6.821 -9.936 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.414 5.582 -9.967 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.037 7.233 -9.420 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.259 9.196 -6.513 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.438 8.753 -8.029 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.906 8.040 -6.487 1.00 0.00 H new ATOM 1069 N TYR A 72 -0.562 4.215 -8.697 1.00 0.00 N ATOM 1070 CA TYR A 72 -1.053 3.004 -9.345 1.00 0.00 C ATOM 1071 C TYR A 72 -1.514 3.297 -10.770 1.00 0.00 C ATOM 1072 O TYR A 72 -2.163 4.311 -11.028 1.00 0.00 O ATOM 1073 CB TYR A 72 -2.204 2.400 -8.539 1.00 0.00 C ATOM 1074 CG TYR A 72 -2.873 1.229 -9.224 1.00 0.00 C ATOM 1075 CD1 TYR A 72 -2.324 -0.046 -9.158 1.00 0.00 C ATOM 1076 CD2 TYR A 72 -4.054 1.398 -9.936 1.00 0.00 C ATOM 1077 CE1 TYR A 72 -2.932 -1.118 -9.782 1.00 0.00 C ATOM 1078 CE2 TYR A 72 -4.669 0.331 -10.562 1.00 0.00 C ATOM 1079 CZ TYR A 72 -4.104 -0.925 -10.483 1.00 0.00 C ATOM 1080 OH TYR A 72 -4.713 -1.990 -11.106 1.00 0.00 O ATOM 0 H TYR A 72 -1.091 5.058 -8.922 1.00 0.00 H new ATOM 0 HA TYR A 72 -0.233 2.287 -9.388 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.827 2.076 -7.569 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.949 3.173 -8.349 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.407 -0.201 -8.610 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.499 2.380 -10.001 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.492 -2.102 -9.721 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.587 0.479 -11.110 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.529 -1.684 -11.555 1.00 0.00 H new ATOM 1090 N CYS A 73 -1.173 2.402 -11.690 1.00 0.00 N ATOM 1091 CA CYS A 73 -1.551 2.563 -13.090 1.00 0.00 C ATOM 1092 C CYS A 73 -1.036 3.888 -13.643 1.00 0.00 C ATOM 1093 O CYS A 73 -1.592 4.433 -14.596 1.00 0.00 O ATOM 1094 CB CYS A 73 -3.071 2.490 -13.241 1.00 0.00 C ATOM 1095 SG CYS A 73 -3.712 0.812 -13.448 1.00 0.00 S ATOM 0 H CYS A 73 -0.636 1.558 -11.492 1.00 0.00 H new ATOM 0 HA CYS A 73 -1.097 1.752 -13.659 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.535 2.939 -12.363 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.369 3.090 -14.101 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.868 0.260 -12.281 1.00 0.00 H new ATOM 1101 N GLY A 74 0.031 4.401 -13.038 1.00 0.00 N ATOM 1102 CA GLY A 74 0.602 5.659 -13.482 1.00 0.00 C ATOM 1103 C GLY A 74 -0.174 6.859 -12.978 1.00 0.00 C ATOM 1104 O GLY A 74 -0.023 7.967 -13.494 1.00 0.00 O ATOM 0 H GLY A 74 0.510 3.968 -12.248 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.634 5.727 -13.138 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.627 5.678 -14.572 1.00 0.00 H new ATOM 1108 N ARG A 75 -1.010 6.639 -11.968 1.00 0.00 N ATOM 1109 CA ARG A 75 -1.816 7.711 -11.396 1.00 0.00 C ATOM 1110 C ARG A 75 -1.890 7.585 -9.877 1.00 0.00 C ATOM 1111 O ARG A 75 -2.188 6.515 -9.346 1.00 0.00 O ATOM 1112 CB ARG A 75 -3.226 7.691 -11.989 1.00 0.00 C ATOM 1113 CG ARG A 75 -3.962 6.381 -11.764 1.00 0.00 C ATOM 1114 CD ARG A 75 -5.391 6.448 -12.281 1.00 0.00 C ATOM 1115 NE ARG A 75 -5.444 6.474 -13.740 1.00 0.00 N ATOM 1116 CZ ARG A 75 -6.559 6.681 -14.432 1.00 0.00 C ATOM 1117 NH1 ARG A 75 -7.707 6.881 -13.800 1.00 0.00 N ATOM 1118 NH2 ARG A 75 -6.527 6.690 -15.758 1.00 0.00 N ATOM 0 H ARG A 75 -1.147 5.728 -11.529 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.339 8.660 -11.642 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.806 8.504 -11.552 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.163 7.884 -13.060 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.430 5.573 -12.266 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.970 6.145 -10.700 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.950 5.588 -11.913 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.879 7.339 -11.885 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.577 6.325 -14.256 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.735 6.876 -12.780 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.562 7.040 -14.333 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.645 6.538 -16.248 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.384 6.849 -16.288 1.00 0.00 H new ATOM 1132 N LYS A 76 -1.616 8.684 -9.183 1.00 0.00 N ATOM 1133 CA LYS A 76 -1.652 8.698 -7.726 1.00 0.00 C ATOM 1134 C LYS A 76 -3.053 8.381 -7.213 1.00 0.00 C ATOM 1135 O LYS A 76 -4.050 8.814 -7.793 1.00 0.00 O ATOM 1136 CB LYS A 76 -1.199 10.061 -7.197 1.00 0.00 C ATOM 1137 CG LYS A 76 -0.971 10.086 -5.695 1.00 0.00 C ATOM 1138 CD LYS A 76 -2.237 10.464 -4.945 1.00 0.00 C ATOM 1139 CE LYS A 76 -1.919 11.099 -3.600 1.00 0.00 C ATOM 1140 NZ LYS A 76 -3.123 11.720 -2.981 1.00 0.00 N ATOM 0 H LYS A 76 -1.366 9.578 -9.607 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.969 7.930 -7.363 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.276 10.348 -7.701 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.949 10.809 -7.455 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.628 9.106 -5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.180 10.798 -5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.824 11.158 -5.547 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.850 9.576 -4.793 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.514 10.342 -2.928 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.146 11.856 -3.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.835 12.298 -2.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.602 12.322 -3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.774 10.974 -2.663 1.00 0.00 H new ATOM 1154 N LEU A 77 -3.122 7.626 -6.122 1.00 0.00 N ATOM 1155 CA LEU A 77 -4.402 7.253 -5.530 1.00 0.00 C ATOM 1156 C LEU A 77 -4.690 8.086 -4.285 1.00 0.00 C ATOM 1157 O LEU A 77 -3.850 8.197 -3.391 1.00 0.00 O ATOM 1158 CB LEU A 77 -4.407 5.765 -5.174 1.00 0.00 C ATOM 1159 CG LEU A 77 -3.963 4.809 -6.281 1.00 0.00 C ATOM 1160 CD1 LEU A 77 -3.857 3.388 -5.748 1.00 0.00 C ATOM 1161 CD2 LEU A 77 -4.928 4.869 -7.456 1.00 0.00 C ATOM 0 H LEU A 77 -2.307 7.260 -5.630 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.184 7.448 -6.264 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.758 5.616 -4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.415 5.489 -4.866 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.978 5.119 -6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.540 2.721 -6.550 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.127 3.356 -4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.829 3.067 -5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.596 4.182 -8.235 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.926 4.585 -7.122 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.954 5.883 -7.854 1.00 0.00 H new ATOM 1173 N LYS A 78 -5.882 8.671 -4.233 1.00 0.00 N ATOM 1174 CA LYS A 78 -6.283 9.491 -3.096 1.00 0.00 C ATOM 1175 C LYS A 78 -7.109 8.680 -2.103 1.00 0.00 C ATOM 1176 O LYS A 78 -7.644 7.625 -2.443 1.00 0.00 O ATOM 1177 CB LYS A 78 -7.087 10.702 -3.574 1.00 0.00 C ATOM 1178 CG LYS A 78 -6.223 11.856 -4.054 1.00 0.00 C ATOM 1179 CD LYS A 78 -7.027 13.139 -4.183 1.00 0.00 C ATOM 1180 CE LYS A 78 -6.150 14.367 -3.995 1.00 0.00 C ATOM 1181 NZ LYS A 78 -6.677 15.544 -4.741 1.00 0.00 N ATOM 0 H LYS A 78 -6.587 8.592 -4.965 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.380 9.836 -2.593 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.747 10.392 -4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.723 11.050 -2.760 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.400 12.010 -3.356 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.781 11.604 -5.018 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.501 13.176 -5.164 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.827 13.145 -3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.086 14.608 -2.934 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.138 14.146 -4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.052 16.361 -4.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.715 15.323 -5.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.633 15.771 -4.400 1.00 0.00 H new ATOM 1195 N ASP A 79 -7.208 9.179 -0.876 1.00 0.00 N ATOM 1196 CA ASP A 79 -7.971 8.501 0.166 1.00 0.00 C ATOM 1197 C ASP A 79 -9.466 8.751 -0.006 1.00 0.00 C ATOM 1198 O ASP A 79 -10.272 8.352 0.835 1.00 0.00 O ATOM 1199 CB ASP A 79 -7.518 8.973 1.548 1.00 0.00 C ATOM 1200 CG ASP A 79 -7.285 10.470 1.601 1.00 0.00 C ATOM 1201 OD1 ASP A 79 -8.248 11.210 1.893 1.00 0.00 O ATOM 1202 OD2 ASP A 79 -6.141 10.903 1.350 1.00 0.00 O ATOM 0 H ASP A 79 -6.770 10.051 -0.578 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.787 7.430 0.078 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.271 8.699 2.287 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.599 8.455 1.822 1.00 0.00 H new ATOM 1207 N ASP A 80 -9.828 9.413 -1.099 1.00 0.00 N ATOM 1208 CA ASP A 80 -11.226 9.716 -1.381 1.00 0.00 C ATOM 1209 C ASP A 80 -11.866 8.608 -2.211 1.00 0.00 C ATOM 1210 O ASP A 80 -13.090 8.505 -2.287 1.00 0.00 O ATOM 1211 CB ASP A 80 -11.342 11.052 -2.116 1.00 0.00 C ATOM 1212 CG ASP A 80 -10.355 11.171 -3.261 1.00 0.00 C ATOM 1213 OD1 ASP A 80 -9.984 10.126 -3.835 1.00 0.00 O ATOM 1214 OD2 ASP A 80 -9.955 12.309 -3.583 1.00 0.00 O ATOM 0 H ASP A 80 -9.173 9.750 -1.804 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.756 9.785 -0.431 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.356 11.165 -2.501 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.176 11.867 -1.411 1.00 0.00 H new ATOM 1219 N GLN A 81 -11.030 7.782 -2.830 1.00 0.00 N ATOM 1220 CA GLN A 81 -11.514 6.682 -3.656 1.00 0.00 C ATOM 1221 C GLN A 81 -11.243 5.338 -2.987 1.00 0.00 C ATOM 1222 O GLN A 81 -10.725 5.281 -1.871 1.00 0.00 O ATOM 1223 CB GLN A 81 -10.853 6.721 -5.035 1.00 0.00 C ATOM 1224 CG GLN A 81 -11.615 7.556 -6.051 1.00 0.00 C ATOM 1225 CD GLN A 81 -11.485 9.045 -5.800 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -10.470 9.656 -6.137 1.00 0.00 O ATOM 1227 NE2 GLN A 81 -12.513 9.638 -5.204 1.00 0.00 N ATOM 0 H GLN A 81 -10.014 7.853 -2.776 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.591 6.798 -3.774 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.843 7.119 -4.934 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.758 5.703 -5.412 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -11.248 7.327 -7.052 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.669 7.278 -6.026 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.334 9.093 -4.942 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.481 10.639 -5.008 1.00 0.00 H new ATOM 1236 N THR A 82 -11.597 4.257 -3.676 1.00 0.00 N ATOM 1237 CA THR A 82 -11.393 2.914 -3.148 1.00 0.00 C ATOM 1238 C THR A 82 -10.728 2.013 -4.181 1.00 0.00 C ATOM 1239 O THR A 82 -10.424 2.445 -5.294 1.00 0.00 O ATOM 1240 CB THR A 82 -12.723 2.276 -2.707 1.00 0.00 C ATOM 1241 OG1 THR A 82 -13.644 2.256 -3.803 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.331 3.042 -1.541 1.00 0.00 C ATOM 0 H THR A 82 -12.026 4.286 -4.601 1.00 0.00 H new ATOM 0 HA THR A 82 -10.740 3.011 -2.281 1.00 0.00 H new ATOM 0 HB THR A 82 -12.521 1.255 -2.384 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.487 1.847 -3.515 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.270 2.573 -1.247 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.640 3.030 -0.698 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.519 4.073 -1.841 1.00 0.00 H new ATOM 1250 N LEU A 83 -10.503 0.758 -3.808 1.00 0.00 N ATOM 1251 CA LEU A 83 -9.874 -0.206 -4.704 1.00 0.00 C ATOM 1252 C LEU A 83 -10.724 -0.426 -5.951 1.00 0.00 C ATOM 1253 O LEU A 83 -10.212 -0.426 -7.071 1.00 0.00 O ATOM 1254 CB LEU A 83 -9.656 -1.537 -3.981 1.00 0.00 C ATOM 1255 CG LEU A 83 -8.477 -1.588 -3.009 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -7.171 -1.782 -3.764 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -8.425 -0.322 -2.167 1.00 0.00 C ATOM 0 H LEU A 83 -10.747 0.384 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.909 0.197 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.565 -1.782 -3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.517 -2.316 -4.731 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.617 -2.439 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.343 -1.816 -3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.209 -2.717 -4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.024 -0.952 -4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.580 -0.376 -1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.309 0.544 -2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.349 -0.226 -1.597 1.00 0.00 H new ATOM 1269 N ASP A 84 -12.024 -0.609 -5.751 1.00 0.00 N ATOM 1270 CA ASP A 84 -12.946 -0.826 -6.860 1.00 0.00 C ATOM 1271 C ASP A 84 -13.056 0.424 -7.727 1.00 0.00 C ATOM 1272 O ASP A 84 -13.016 0.346 -8.955 1.00 0.00 O ATOM 1273 CB ASP A 84 -14.327 -1.219 -6.333 1.00 0.00 C ATOM 1274 CG ASP A 84 -15.435 -0.892 -7.314 1.00 0.00 C ATOM 1275 OD1 ASP A 84 -15.646 -1.682 -8.258 1.00 0.00 O ATOM 1276 OD2 ASP A 84 -16.093 0.155 -7.138 1.00 0.00 O ATOM 0 H ASP A 84 -12.464 -0.611 -4.831 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.555 -1.638 -7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.340 -2.287 -6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.514 -0.702 -5.392 1.00 0.00 H new ATOM 1281 N PHE A 85 -13.194 1.577 -7.081 1.00 0.00 N ATOM 1282 CA PHE A 85 -13.312 2.844 -7.793 1.00 0.00 C ATOM 1283 C PHE A 85 -12.337 2.901 -8.965 1.00 0.00 C ATOM 1284 O PHE A 85 -12.687 3.350 -10.057 1.00 0.00 O ATOM 1285 CB PHE A 85 -13.052 4.014 -6.842 1.00 0.00 C ATOM 1286 CG PHE A 85 -13.501 5.340 -7.386 1.00 0.00 C ATOM 1287 CD1 PHE A 85 -12.720 6.029 -8.300 1.00 0.00 C ATOM 1288 CD2 PHE A 85 -14.705 5.897 -6.985 1.00 0.00 C ATOM 1289 CE1 PHE A 85 -13.131 7.249 -8.802 1.00 0.00 C ATOM 1290 CE2 PHE A 85 -15.121 7.117 -7.483 1.00 0.00 C ATOM 1291 CZ PHE A 85 -14.333 7.794 -8.394 1.00 0.00 C ATOM 0 H PHE A 85 -13.227 1.660 -6.065 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.327 2.920 -8.183 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -13.564 3.825 -5.898 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.986 4.063 -6.622 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -11.780 5.608 -8.624 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -15.326 5.371 -6.275 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -12.513 7.776 -9.513 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -16.061 7.541 -7.161 1.00 0.00 H new ATOM 0 HZ PHE A 85 -14.656 8.747 -8.786 1.00 0.00 H new ATOM 1301 N TYR A 86 -11.112 2.443 -8.731 1.00 0.00 N ATOM 1302 CA TYR A 86 -10.085 2.445 -9.766 1.00 0.00 C ATOM 1303 C TYR A 86 -10.063 1.115 -10.514 1.00 0.00 C ATOM 1304 O TYR A 86 -9.580 1.032 -11.642 1.00 0.00 O ATOM 1305 CB TYR A 86 -8.712 2.719 -9.151 1.00 0.00 C ATOM 1306 CG TYR A 86 -8.464 4.181 -8.851 1.00 0.00 C ATOM 1307 CD1 TYR A 86 -8.137 5.072 -9.865 1.00 0.00 C ATOM 1308 CD2 TYR A 86 -8.559 4.670 -7.554 1.00 0.00 C ATOM 1309 CE1 TYR A 86 -7.909 6.408 -9.596 1.00 0.00 C ATOM 1310 CE2 TYR A 86 -8.334 6.004 -7.275 1.00 0.00 C ATOM 1311 CZ TYR A 86 -8.009 6.869 -8.300 1.00 0.00 C ATOM 1312 OH TYR A 86 -7.784 8.199 -8.027 1.00 0.00 O ATOM 0 H TYR A 86 -10.806 2.066 -7.834 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.322 3.237 -10.476 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.615 2.146 -8.229 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.940 2.360 -9.832 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.060 4.714 -10.881 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.813 3.995 -6.750 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.654 7.087 -10.396 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -8.412 6.368 -6.261 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.896 8.359 -7.067 1.00 0.00 H new ATOM 1322 N GLY A 87 -10.590 0.075 -9.874 1.00 0.00 N ATOM 1323 CA GLY A 87 -10.622 -1.238 -10.492 1.00 0.00 C ATOM 1324 C GLY A 87 -9.333 -2.007 -10.286 1.00 0.00 C ATOM 1325 O GLY A 87 -8.887 -2.734 -11.174 1.00 0.00 O ATOM 0 H GLY A 87 -10.995 0.118 -8.939 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -11.453 -1.810 -10.079 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.810 -1.129 -11.560 1.00 0.00 H new ATOM 1329 N ILE A 88 -8.731 -1.846 -9.112 1.00 0.00 N ATOM 1330 CA ILE A 88 -7.485 -2.531 -8.793 1.00 0.00 C ATOM 1331 C ILE A 88 -7.710 -4.029 -8.617 1.00 0.00 C ATOM 1332 O ILE A 88 -8.794 -4.461 -8.226 1.00 0.00 O ATOM 1333 CB ILE A 88 -6.843 -1.966 -7.512 1.00 0.00 C ATOM 1334 CG1 ILE A 88 -6.249 -0.582 -7.782 1.00 0.00 C ATOM 1335 CG2 ILE A 88 -5.774 -2.915 -6.992 1.00 0.00 C ATOM 1336 CD1 ILE A 88 -6.203 0.305 -6.557 1.00 0.00 C ATOM 0 H ILE A 88 -9.086 -1.247 -8.367 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.810 -2.363 -9.632 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.615 -1.867 -6.749 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.239 -0.699 -8.174 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.836 -0.088 -8.556 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.330 -2.502 -6.087 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.224 -3.882 -6.767 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.001 -3.043 -7.750 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.770 1.270 -6.822 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.214 0.453 -6.177 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.592 -0.168 -5.788 1.00 0.00 H new ATOM 1348 N GLN A 89 -6.679 -4.815 -8.906 1.00 0.00 N ATOM 1349 CA GLN A 89 -6.764 -6.265 -8.778 1.00 0.00 C ATOM 1350 C GLN A 89 -5.740 -6.785 -7.775 1.00 0.00 C ATOM 1351 O GLN A 89 -4.676 -6.198 -7.576 1.00 0.00 O ATOM 1352 CB GLN A 89 -6.548 -6.932 -10.138 1.00 0.00 C ATOM 1353 CG GLN A 89 -7.663 -6.660 -11.134 1.00 0.00 C ATOM 1354 CD GLN A 89 -7.432 -5.396 -11.938 1.00 0.00 C ATOM 1355 OE1 GLN A 89 -6.353 -4.804 -11.889 1.00 0.00 O ATOM 1356 NE2 GLN A 89 -8.446 -4.975 -12.685 1.00 0.00 N ATOM 0 H GLN A 89 -5.775 -4.473 -9.230 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.761 -6.514 -8.413 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.604 -6.584 -10.558 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.455 -8.009 -9.994 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.752 -7.507 -11.814 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.610 -6.579 -10.600 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.323 -5.497 -12.696 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.348 -4.130 -13.248 1.00 0.00 H new ATOM 1365 N PRO A 90 -6.066 -7.913 -7.126 1.00 0.00 N ATOM 1366 CA PRO A 90 -5.187 -8.536 -6.132 1.00 0.00 C ATOM 1367 C PRO A 90 -3.938 -9.144 -6.762 1.00 0.00 C ATOM 1368 O PRO A 90 -3.122 -9.759 -6.078 1.00 0.00 O ATOM 1369 CB PRO A 90 -6.064 -9.631 -5.520 1.00 0.00 C ATOM 1370 CG PRO A 90 -7.061 -9.954 -6.579 1.00 0.00 C ATOM 1371 CD PRO A 90 -7.317 -8.666 -7.313 1.00 0.00 C ATOM 0 HA PRO A 90 -4.816 -7.813 -5.406 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.474 -10.507 -5.252 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.552 -9.284 -4.609 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.679 -10.719 -7.255 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.981 -10.344 -6.143 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.528 -8.840 -8.368 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.173 -8.132 -6.901 1.00 0.00 H new ATOM 1379 N GLY A 91 -3.796 -8.966 -8.072 1.00 0.00 N ATOM 1380 CA GLY A 91 -2.643 -9.503 -8.773 1.00 0.00 C ATOM 1381 C GLY A 91 -1.802 -8.420 -9.420 1.00 0.00 C ATOM 1382 O GLY A 91 -0.866 -8.713 -10.163 1.00 0.00 O ATOM 0 H GLY A 91 -4.458 -8.460 -8.660 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.027 -10.068 -8.073 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.980 -10.203 -9.538 1.00 0.00 H new ATOM 1386 N SER A 92 -2.137 -7.165 -9.138 1.00 0.00 N ATOM 1387 CA SER A 92 -1.410 -6.034 -9.702 1.00 0.00 C ATOM 1388 C SER A 92 -0.281 -5.597 -8.774 1.00 0.00 C ATOM 1389 O SER A 92 -0.062 -6.193 -7.718 1.00 0.00 O ATOM 1390 CB SER A 92 -2.360 -4.863 -9.954 1.00 0.00 C ATOM 1391 OG SER A 92 -1.932 -4.087 -11.060 1.00 0.00 O ATOM 0 H SER A 92 -2.908 -6.906 -8.522 1.00 0.00 H new ATOM 0 HA SER A 92 -0.976 -6.350 -10.651 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.366 -5.240 -10.138 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.413 -4.236 -9.064 1.00 0.00 H new ATOM 0 HG SER A 92 -2.590 -3.384 -11.241 1.00 0.00 H new ATOM 1397 N THR A 93 0.436 -4.551 -9.175 1.00 0.00 N ATOM 1398 CA THR A 93 1.543 -4.034 -8.381 1.00 0.00 C ATOM 1399 C THR A 93 1.493 -2.513 -8.295 1.00 0.00 C ATOM 1400 O THR A 93 1.278 -1.830 -9.297 1.00 0.00 O ATOM 1401 CB THR A 93 2.902 -4.459 -8.968 1.00 0.00 C ATOM 1402 OG1 THR A 93 2.825 -5.803 -9.458 1.00 0.00 O ATOM 1403 CG2 THR A 93 4.000 -4.358 -7.920 1.00 0.00 C ATOM 0 H THR A 93 0.269 -4.046 -10.045 1.00 0.00 H new ATOM 0 HA THR A 93 1.440 -4.456 -7.381 1.00 0.00 H new ATOM 0 HB THR A 93 3.144 -3.786 -9.790 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.692 -6.065 -9.831 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.950 -4.663 -8.358 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.076 -3.328 -7.570 1.00 0.00 H new ATOM 0 HG23 THR A 93 3.762 -5.010 -7.080 1.00 0.00 H new ATOM 1411 N VAL A 94 1.695 -1.986 -7.091 1.00 0.00 N ATOM 1412 CA VAL A 94 1.675 -0.545 -6.874 1.00 0.00 C ATOM 1413 C VAL A 94 3.087 0.005 -6.702 1.00 0.00 C ATOM 1414 O VAL A 94 4.044 -0.753 -6.539 1.00 0.00 O ATOM 1415 CB VAL A 94 0.838 -0.175 -5.635 1.00 0.00 C ATOM 1416 CG1 VAL A 94 -0.555 -0.778 -5.732 1.00 0.00 C ATOM 1417 CG2 VAL A 94 1.538 -0.631 -4.364 1.00 0.00 C ATOM 0 H VAL A 94 1.874 -2.536 -6.251 1.00 0.00 H new ATOM 0 HA VAL A 94 1.219 -0.099 -7.758 1.00 0.00 H new ATOM 0 HB VAL A 94 0.736 0.910 -5.597 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.132 -0.506 -4.848 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.055 -0.397 -6.623 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.478 -1.863 -5.795 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.933 -0.361 -3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.672 -1.712 -4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.512 -0.146 -4.291 1.00 0.00 H new ATOM 1427 N HIS A 95 3.210 1.328 -6.739 1.00 0.00 N ATOM 1428 CA HIS A 95 4.505 1.980 -6.586 1.00 0.00 C ATOM 1429 C HIS A 95 4.430 3.105 -5.559 1.00 0.00 C ATOM 1430 O HIS A 95 3.529 3.943 -5.605 1.00 0.00 O ATOM 1431 CB HIS A 95 4.984 2.532 -7.930 1.00 0.00 C ATOM 1432 CG HIS A 95 5.340 1.468 -8.922 1.00 0.00 C ATOM 1433 ND1 HIS A 95 6.513 0.746 -8.863 1.00 0.00 N ATOM 1434 CD2 HIS A 95 4.668 1.004 -10.002 1.00 0.00 C ATOM 1435 CE1 HIS A 95 6.549 -0.114 -9.864 1.00 0.00 C ATOM 1436 NE2 HIS A 95 5.441 0.022 -10.570 1.00 0.00 N ATOM 0 H HIS A 95 2.428 1.969 -6.874 1.00 0.00 H new ATOM 0 HA HIS A 95 5.218 1.236 -6.232 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.203 3.165 -8.353 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.854 3.167 -7.763 1.00 0.00 H new ATOM 0 HD2 HIS A 95 3.704 1.343 -10.351 1.00 0.00 H new ATOM 0 HE1 HIS A 95 7.348 -0.810 -10.070 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.199 -0.516 -11.402 1.00 0.00 H new ATOM 1445 N VAL A 96 5.381 3.117 -4.630 1.00 0.00 N ATOM 1446 CA VAL A 96 5.422 4.138 -3.591 1.00 0.00 C ATOM 1447 C VAL A 96 6.388 5.258 -3.959 1.00 0.00 C ATOM 1448 O VAL A 96 7.562 5.013 -4.242 1.00 0.00 O ATOM 1449 CB VAL A 96 5.839 3.542 -2.233 1.00 0.00 C ATOM 1450 CG1 VAL A 96 6.314 4.637 -1.291 1.00 0.00 C ATOM 1451 CG2 VAL A 96 4.687 2.761 -1.618 1.00 0.00 C ATOM 0 H VAL A 96 6.133 2.430 -4.576 1.00 0.00 H new ATOM 0 HA VAL A 96 4.414 4.544 -3.507 1.00 0.00 H new ATOM 0 HB VAL A 96 6.668 2.854 -2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.604 4.196 -0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.171 5.148 -1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.508 5.353 -1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.999 2.347 -0.659 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.837 3.426 -1.467 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.399 1.950 -2.287 1.00 0.00 H new ATOM 1461 N LEU A 97 5.888 6.489 -3.954 1.00 0.00 N ATOM 1462 CA LEU A 97 6.707 7.649 -4.288 1.00 0.00 C ATOM 1463 C LEU A 97 7.014 8.475 -3.042 1.00 0.00 C ATOM 1464 O LEU A 97 6.108 8.871 -2.309 1.00 0.00 O ATOM 1465 CB LEU A 97 5.996 8.518 -5.327 1.00 0.00 C ATOM 1466 CG LEU A 97 6.901 9.311 -6.271 1.00 0.00 C ATOM 1467 CD1 LEU A 97 7.766 10.286 -5.487 1.00 0.00 C ATOM 1468 CD2 LEU A 97 7.768 8.369 -7.095 1.00 0.00 C ATOM 0 H LEU A 97 4.919 6.709 -3.722 1.00 0.00 H new ATOM 0 HA LEU A 97 7.648 7.291 -4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.351 7.877 -5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.348 9.220 -4.802 1.00 0.00 H new ATOM 0 HG LEU A 97 6.271 9.883 -6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.403 10.841 -6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.128 10.981 -4.942 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.388 9.735 -4.781 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.406 8.950 -7.761 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.389 7.770 -6.429 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.131 7.711 -7.686 1.00 0.00 H new ATOM 1480 N ARG A 98 8.297 8.733 -2.811 1.00 0.00 N ATOM 1481 CA ARG A 98 8.724 9.512 -1.656 1.00 0.00 C ATOM 1482 C ARG A 98 8.490 11.002 -1.889 1.00 0.00 C ATOM 1483 O ARG A 98 8.854 11.543 -2.933 1.00 0.00 O ATOM 1484 CB ARG A 98 10.203 9.258 -1.359 1.00 0.00 C ATOM 1485 CG ARG A 98 10.482 7.872 -0.802 1.00 0.00 C ATOM 1486 CD ARG A 98 10.115 7.779 0.671 1.00 0.00 C ATOM 1487 NE ARG A 98 11.192 8.254 1.535 1.00 0.00 N ATOM 1488 CZ ARG A 98 11.297 9.509 1.958 1.00 0.00 C ATOM 1489 NH1 ARG A 98 10.394 10.410 1.598 1.00 0.00 N ATOM 1490 NH2 ARG A 98 12.307 9.864 2.742 1.00 0.00 N ATOM 0 H ARG A 98 9.059 8.414 -3.409 1.00 0.00 H new ATOM 0 HA ARG A 98 8.130 9.197 -0.798 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.778 9.395 -2.275 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.555 10.004 -0.647 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.916 7.131 -1.367 1.00 0.00 H new ATOM 0 HG3 ARG A 98 11.538 7.633 -0.931 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.215 8.365 0.858 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.879 6.745 0.921 1.00 0.00 H new ATOM 0 HE ARG A 98 11.903 7.585 1.830 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.617 10.140 0.995 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.476 11.373 1.924 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.004 9.173 3.020 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.387 10.828 3.066 1.00 0.00 H new ATOM 1504 N LYS A 99 7.879 11.660 -0.909 1.00 0.00 N ATOM 1505 CA LYS A 99 7.597 13.087 -1.005 1.00 0.00 C ATOM 1506 C LYS A 99 8.887 13.901 -0.975 1.00 0.00 C ATOM 1507 O LYS A 99 9.260 14.527 -1.967 1.00 0.00 O ATOM 1508 CB LYS A 99 6.679 13.525 0.139 1.00 0.00 C ATOM 1509 CG LYS A 99 5.282 12.934 0.057 1.00 0.00 C ATOM 1510 CD LYS A 99 4.358 13.543 1.098 1.00 0.00 C ATOM 1511 CE LYS A 99 2.930 13.042 0.938 1.00 0.00 C ATOM 1512 NZ LYS A 99 1.946 13.955 1.583 1.00 0.00 N ATOM 0 H LYS A 99 7.570 11.227 -0.039 1.00 0.00 H new ATOM 0 HA LYS A 99 7.096 13.269 -1.956 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.132 13.237 1.088 1.00 0.00 H new ATOM 0 HB3 LYS A 99 6.605 14.612 0.139 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.872 13.103 -0.939 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.333 11.855 0.201 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.721 13.298 2.096 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.375 14.629 1.010 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.696 12.946 -0.122 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.843 12.047 1.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.998 13.774 1.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.937 13.787 2.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.214 14.942 1.396 1.00 0.00 H new ATOM 1526 N SER A 100 9.565 13.885 0.168 1.00 0.00 N ATOM 1527 CA SER A 100 10.812 14.623 0.327 1.00 0.00 C ATOM 1528 C SER A 100 11.760 13.891 1.273 1.00 0.00 C ATOM 1529 O SER A 100 11.329 13.091 2.103 1.00 0.00 O ATOM 1530 CB SER A 100 10.532 16.031 0.856 1.00 0.00 C ATOM 1531 OG SER A 100 11.534 16.942 0.438 1.00 0.00 O ATOM 0 H SER A 100 9.272 13.369 0.997 1.00 0.00 H new ATOM 0 HA SER A 100 11.288 14.698 -0.651 1.00 0.00 H new ATOM 0 HB2 SER A 100 9.558 16.369 0.502 1.00 0.00 H new ATOM 0 HB3 SER A 100 10.486 16.011 1.945 1.00 0.00 H new ATOM 0 HG SER A 100 11.331 17.835 0.788 1.00 0.00 H new ATOM 1537 N TRP A 101 13.051 14.172 1.140 1.00 0.00 N ATOM 1538 CA TRP A 101 14.060 13.540 1.982 1.00 0.00 C ATOM 1539 C TRP A 101 14.051 14.139 3.384 1.00 0.00 C ATOM 1540 O TRP A 101 13.596 15.265 3.586 1.00 0.00 O ATOM 1541 CB TRP A 101 15.447 13.697 1.356 1.00 0.00 C ATOM 1542 CG TRP A 101 16.562 13.623 2.355 1.00 0.00 C ATOM 1543 CD1 TRP A 101 16.912 12.542 3.114 1.00 0.00 C ATOM 1544 CD2 TRP A 101 17.471 14.672 2.705 1.00 0.00 C ATOM 1545 NE1 TRP A 101 17.983 12.857 3.914 1.00 0.00 N ATOM 1546 CE2 TRP A 101 18.345 14.157 3.682 1.00 0.00 C ATOM 1547 CE3 TRP A 101 17.632 15.996 2.287 1.00 0.00 C ATOM 1548 CZ2 TRP A 101 19.364 14.921 4.246 1.00 0.00 C ATOM 1549 CZ3 TRP A 101 18.643 16.753 2.848 1.00 0.00 C ATOM 1550 CH2 TRP A 101 19.499 16.214 3.818 1.00 0.00 C ATOM 0 H TRP A 101 13.424 14.833 0.458 1.00 0.00 H new ATOM 0 HA TRP A 101 13.822 12.479 2.059 1.00 0.00 H new ATOM 0 HB2 TRP A 101 15.589 12.919 0.606 1.00 0.00 H new ATOM 0 HB3 TRP A 101 15.497 14.654 0.837 1.00 0.00 H new ATOM 0 HD1 TRP A 101 16.419 11.581 3.089 1.00 0.00 H new ATOM 0 HE1 TRP A 101 18.436 12.225 4.574 1.00 0.00 H new ATOM 0 HE3 TRP A 101 16.978 16.420 1.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 20.024 14.508 4.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 18.776 17.778 2.533 1.00 0.00 H new ATOM 0 HH2 TRP A 101 20.281 16.831 4.236 1.00 0.00 H new ATOM 1561 N SER A 102 14.557 13.379 4.351 1.00 0.00 N ATOM 1562 CA SER A 102 14.603 13.834 5.735 1.00 0.00 C ATOM 1563 C SER A 102 14.931 15.322 5.808 1.00 0.00 C ATOM 1564 O SER A 102 15.516 15.886 4.884 1.00 0.00 O ATOM 1565 CB SER A 102 15.641 13.032 6.523 1.00 0.00 C ATOM 1566 OG SER A 102 15.279 11.664 6.599 1.00 0.00 O ATOM 0 H SER A 102 14.941 12.446 4.201 1.00 0.00 H new ATOM 0 HA SER A 102 13.619 13.675 6.176 1.00 0.00 H new ATOM 0 HB2 SER A 102 16.617 13.127 6.047 1.00 0.00 H new ATOM 0 HB3 SER A 102 15.736 13.443 7.528 1.00 0.00 H new ATOM 0 HG SER A 102 15.959 11.173 7.106 1.00 0.00 H new ATOM 1572 N GLY A 103 14.549 15.953 6.914 1.00 0.00 N ATOM 1573 CA GLY A 103 14.810 17.370 7.087 1.00 0.00 C ATOM 1574 C GLY A 103 16.159 17.637 7.724 1.00 0.00 C ATOM 1575 O GLY A 103 16.380 17.355 8.903 1.00 0.00 O ATOM 0 H GLY A 103 14.064 15.508 7.693 1.00 0.00 H new ATOM 0 HA2 GLY A 103 14.765 17.866 6.117 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.026 17.808 7.705 1.00 0.00 H new ATOM 1579 N PRO A 104 17.091 18.192 6.935 1.00 0.00 N ATOM 1580 CA PRO A 104 18.443 18.508 7.408 1.00 0.00 C ATOM 1581 C PRO A 104 18.454 19.665 8.401 1.00 0.00 C ATOM 1582 O PRO A 104 19.514 20.093 8.857 1.00 0.00 O ATOM 1583 CB PRO A 104 19.185 18.895 6.126 1.00 0.00 C ATOM 1584 CG PRO A 104 18.119 19.370 5.200 1.00 0.00 C ATOM 1585 CD PRO A 104 16.898 18.554 5.521 1.00 0.00 C ATOM 0 HA PRO A 104 18.894 17.672 7.942 1.00 0.00 H new ATOM 0 HB2 PRO A 104 19.922 19.676 6.315 1.00 0.00 H new ATOM 0 HB3 PRO A 104 19.723 18.044 5.708 1.00 0.00 H new ATOM 0 HG2 PRO A 104 17.926 20.433 5.340 1.00 0.00 H new ATOM 0 HG3 PRO A 104 18.417 19.235 4.160 1.00 0.00 H new ATOM 0 HD2 PRO A 104 15.982 19.127 5.374 1.00 0.00 H new ATOM 0 HD3 PRO A 104 16.827 17.671 4.886 1.00 0.00 H new ATOM 1593 N SER A 105 17.268 20.167 8.730 1.00 0.00 N ATOM 1594 CA SER A 105 17.142 21.278 9.667 1.00 0.00 C ATOM 1595 C SER A 105 17.624 22.579 9.034 1.00 0.00 C ATOM 1596 O SER A 105 18.364 23.346 9.651 1.00 0.00 O ATOM 1597 CB SER A 105 17.939 20.991 10.941 1.00 0.00 C ATOM 1598 OG SER A 105 17.912 19.610 11.260 1.00 0.00 O ATOM 0 H SER A 105 16.381 19.823 8.362 1.00 0.00 H new ATOM 0 HA SER A 105 16.088 21.388 9.923 1.00 0.00 H new ATOM 0 HB2 SER A 105 18.971 21.317 10.809 1.00 0.00 H new ATOM 0 HB3 SER A 105 17.526 21.567 11.769 1.00 0.00 H new ATOM 0 HG SER A 105 18.430 19.453 12.077 1.00 0.00 H new ATOM 1604 N SER A 106 17.200 22.822 7.798 1.00 0.00 N ATOM 1605 CA SER A 106 17.591 24.029 7.079 1.00 0.00 C ATOM 1606 C SER A 106 16.588 25.153 7.319 1.00 0.00 C ATOM 1607 O SER A 106 15.479 25.135 6.787 1.00 0.00 O ATOM 1608 CB SER A 106 17.703 23.741 5.580 1.00 0.00 C ATOM 1609 OG SER A 106 19.014 23.326 5.237 1.00 0.00 O ATOM 0 H SER A 106 16.586 22.199 7.274 1.00 0.00 H new ATOM 0 HA SER A 106 18.564 24.347 7.454 1.00 0.00 H new ATOM 0 HB2 SER A 106 16.988 22.967 5.301 1.00 0.00 H new ATOM 0 HB3 SER A 106 17.441 24.635 5.014 1.00 0.00 H new ATOM 0 HG SER A 106 19.059 23.147 4.275 1.00 0.00 H new ATOM 1615 N GLY A 107 16.988 26.132 8.124 1.00 0.00 N ATOM 1616 CA GLY A 107 16.113 27.252 8.422 1.00 0.00 C ATOM 1617 C GLY A 107 16.019 28.235 7.272 1.00 0.00 C ATOM 1618 O GLY A 107 15.163 29.119 7.272 1.00 0.00 O ATOM 0 H GLY A 107 17.902 26.170 8.575 1.00 0.00 H new ATOM 0 HA2 GLY A 107 15.117 26.878 8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 107 16.479 27.769 9.309 1.00 0.00 H new TER 1622 GLY A 107