USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 633 hydrogens (5 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 Single : A 3 ASN :FLIP amide:sc= -0.0207 F(o=-1.3,f=-0.021) USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.176) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -27:sc= 0.118 USER MOD Single : A 22 LYS NZ :NH3+ -144:sc= -1.78! (180deg=-4.41!) USER MOD Single : A 24 LYS NZ :NH3+ 152:sc= -1.49 (180deg=-2.45!) USER MOD Single : A 27 HIS : no HD1:sc= -0.053 X(o=-0.053,f=-0.0033) USER MOD Single : A 31 SER OG : rot 81:sc= 1.19 USER MOD Single : A 37 LYS NZ :NH3+ -116:sc= -1.72 (180deg=-4.17!) USER MOD Single : A 38 LYS NZ :NH3+ 156:sc= -0.123 (180deg=-0.706) USER MOD Single : A 42 MET CE :methyl -142:sc= -0.0347 (180deg=-0.591) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.264 F(o=-2.2!,f=-0.26) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.22 F(o=-0.92,f=-0.22) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 160:sc= -1.14 (180deg=-1.72) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.304 F(o=-2.1,f=-0.3) USER MOD Single : A 54 TYR OH : rot -34:sc= 0.0145 USER MOD Single : A 56 LYS NZ :NH3+ 160:sc= -0.0926 (180deg=-0.607) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 154:sc= -0.161 (180deg=-0.882) USER MOD Single : A 62 LYS NZ :NH3+ -162:sc= -0.0743 (180deg=-0.476) USER MOD Single : A 64 LYS NZ :NH3+ 135:sc= -1.65! (180deg=-4.24!) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.56 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.122) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 BME O1 : rot 34:sc= 0.236 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 2.942 -8.429 3.829 1.00 0.00 N ATOM 2 CA ASN A 3 3.314 -9.398 2.760 1.00 0.00 C ATOM 3 C ASN A 3 2.106 -9.502 1.830 1.00 0.00 C ATOM 4 O ASN A 3 1.009 -9.156 2.223 1.00 0.00 O ATOM 5 CB ASN A 3 3.608 -10.768 3.390 1.00 0.00 C ATOM 6 CG ASN A 3 4.827 -10.731 4.332 1.00 0.00 C ATOM 7 OD1 ASN A 3 5.503 -9.627 4.505 1.00 0.00 O flip ATOM 8 ND2 ASN A 3 5.179 -11.730 4.928 1.00 0.00 N flip ATOM 0 HA ASN A 3 4.202 -9.074 2.217 1.00 0.00 H new ATOM 0 HB2 ASN A 3 2.733 -11.105 3.946 1.00 0.00 H new ATOM 0 HB3 ASN A 3 3.785 -11.498 2.600 1.00 0.00 H new ATOM 0 HD21 ASN A 3 4.666 -12.603 4.808 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.988 -11.695 5.548 1.00 0.00 H new ATOM 15 N ALA A 4 2.353 -9.971 0.629 1.00 0.00 N ATOM 16 CA ALA A 4 1.318 -10.144 -0.425 1.00 0.00 C ATOM 17 C ALA A 4 1.006 -8.753 -1.001 1.00 0.00 C ATOM 18 O ALA A 4 0.660 -7.856 -0.255 1.00 0.00 O ATOM 19 CB ALA A 4 0.013 -10.765 0.138 1.00 0.00 C ATOM 0 H ALA A 4 3.286 -10.254 0.329 1.00 0.00 H new ATOM 0 HA ALA A 4 1.699 -10.823 -1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -0.715 -10.873 -0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.231 -11.744 0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -0.395 -10.115 0.912 1.00 0.00 H new ATOM 25 N PRO A 5 1.136 -8.602 -2.299 1.00 0.00 N ATOM 26 CA PRO A 5 1.063 -7.288 -2.999 1.00 0.00 C ATOM 27 C PRO A 5 -0.145 -6.423 -2.607 1.00 0.00 C ATOM 28 O PRO A 5 -1.196 -6.537 -3.210 1.00 0.00 O ATOM 29 CB PRO A 5 1.116 -7.692 -4.499 1.00 0.00 C ATOM 30 CG PRO A 5 0.633 -9.162 -4.502 1.00 0.00 C ATOM 31 CD PRO A 5 1.346 -9.712 -3.262 1.00 0.00 C ATOM 0 HA PRO A 5 1.877 -6.618 -2.721 1.00 0.00 H new ATOM 0 HB2 PRO A 5 0.471 -7.058 -5.107 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.125 -7.601 -4.902 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.451 -9.239 -4.421 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.923 -9.689 -5.411 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.907 -10.648 -2.915 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.403 -9.904 -3.445 1.00 0.00 H new ATOM 39 N LYS A 6 0.043 -5.587 -1.610 1.00 0.00 N ATOM 40 CA LYS A 6 -1.071 -4.701 -1.137 1.00 0.00 C ATOM 41 C LYS A 6 -0.823 -3.167 -1.201 1.00 0.00 C ATOM 42 O LYS A 6 -0.676 -2.507 -0.192 1.00 0.00 O ATOM 43 CB LYS A 6 -1.405 -5.155 0.319 1.00 0.00 C ATOM 44 CG LYS A 6 -2.908 -4.979 0.685 1.00 0.00 C ATOM 45 CD LYS A 6 -3.403 -3.518 0.541 1.00 0.00 C ATOM 46 CE LYS A 6 -4.736 -3.351 1.293 1.00 0.00 C ATOM 47 NZ LYS A 6 -5.744 -4.345 0.820 1.00 0.00 N ATOM 0 H LYS A 6 0.922 -5.480 -1.103 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.901 -4.827 -1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.128 -6.203 0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.797 -4.583 1.020 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.509 -5.625 0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.067 -5.310 1.711 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.659 -2.830 0.941 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.534 -3.269 -0.512 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.572 -3.475 2.363 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.118 -2.341 1.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.688 -4.070 1.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.743 -4.373 -0.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.504 -5.286 1.192 1.00 0.00 H new ATOM 61 N ARG A 7 -0.780 -2.672 -2.413 1.00 0.00 N ATOM 62 CA ARG A 7 -0.567 -1.212 -2.732 1.00 0.00 C ATOM 63 C ARG A 7 -0.754 -0.160 -1.576 1.00 0.00 C ATOM 64 O ARG A 7 -1.874 0.214 -1.293 1.00 0.00 O ATOM 65 CB ARG A 7 -1.520 -0.846 -3.907 1.00 0.00 C ATOM 66 CG ARG A 7 -2.989 -1.256 -3.583 1.00 0.00 C ATOM 67 CD ARG A 7 -3.343 -2.600 -4.250 1.00 0.00 C ATOM 68 NE ARG A 7 -4.561 -3.136 -3.568 1.00 0.00 N ATOM 69 CZ ARG A 7 -5.716 -3.212 -4.176 1.00 0.00 C ATOM 70 NH1 ARG A 7 -5.795 -3.681 -5.391 1.00 0.00 N ATOM 71 NH2 ARG A 7 -6.773 -2.810 -3.524 1.00 0.00 N ATOM 0 H ARG A 7 -0.890 -3.251 -3.246 1.00 0.00 H new ATOM 0 HA ARG A 7 0.495 -1.134 -2.964 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.472 0.226 -4.099 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.191 -1.348 -4.817 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.119 -1.335 -2.504 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -3.672 -0.481 -3.931 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.530 -2.461 -5.315 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.514 -3.302 -4.161 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.489 -3.451 -2.601 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.952 -3.992 -5.874 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.700 -3.737 -5.858 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.680 -2.452 -2.573 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.692 -2.854 -3.965 1.00 0.00 H new ATOM 85 N PRO A 8 0.312 0.291 -0.938 1.00 0.00 N ATOM 86 CA PRO A 8 0.256 1.390 0.086 1.00 0.00 C ATOM 87 C PRO A 8 -0.218 2.740 -0.535 1.00 0.00 C ATOM 88 O PRO A 8 -0.539 2.764 -1.706 1.00 0.00 O ATOM 89 CB PRO A 8 1.693 1.428 0.643 1.00 0.00 C ATOM 90 CG PRO A 8 2.537 0.962 -0.551 1.00 0.00 C ATOM 91 CD PRO A 8 1.709 -0.192 -1.129 1.00 0.00 C ATOM 0 HA PRO A 8 -0.475 1.215 0.875 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.973 2.430 0.969 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.810 0.768 1.503 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.681 1.760 -1.279 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.528 0.632 -0.240 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.938 -0.370 -2.180 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.891 -1.128 -0.600 1.00 0.00 H new ATOM 99 N PRO A 9 -0.264 3.800 0.256 1.00 0.00 N ATOM 100 CA PRO A 9 -0.312 5.231 -0.196 1.00 0.00 C ATOM 101 C PRO A 9 0.219 5.629 -1.598 1.00 0.00 C ATOM 102 O PRO A 9 0.747 4.824 -2.342 1.00 0.00 O ATOM 103 CB PRO A 9 0.395 5.940 0.952 1.00 0.00 C ATOM 104 CG PRO A 9 -0.233 5.226 2.171 1.00 0.00 C ATOM 105 CD PRO A 9 -0.274 3.734 1.753 1.00 0.00 C ATOM 0 HA PRO A 9 -1.347 5.516 -0.382 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.477 5.813 0.912 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.200 7.012 0.957 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.365 5.372 3.071 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.231 5.608 2.386 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.585 3.184 2.138 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.167 3.235 2.129 1.00 0.00 H new ATOM 113 N SER A 10 0.064 6.897 -1.901 1.00 0.00 N ATOM 114 CA SER A 10 0.512 7.449 -3.223 1.00 0.00 C ATOM 115 C SER A 10 1.721 8.393 -3.143 1.00 0.00 C ATOM 116 O SER A 10 2.715 8.168 -3.806 1.00 0.00 O ATOM 117 CB SER A 10 -0.675 8.202 -3.856 1.00 0.00 C ATOM 118 OG SER A 10 -1.708 7.232 -3.986 1.00 0.00 O ATOM 0 H SER A 10 -0.361 7.584 -1.279 1.00 0.00 H new ATOM 0 HA SER A 10 0.837 6.601 -3.826 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.993 9.034 -3.228 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.404 8.620 -4.825 1.00 0.00 H new ATOM 0 HG SER A 10 -2.500 7.649 -4.384 1.00 0.00 H new ATOM 124 N ALA A 11 1.571 9.405 -2.325 1.00 0.00 N ATOM 125 CA ALA A 11 2.586 10.481 -2.062 1.00 0.00 C ATOM 126 C ALA A 11 1.743 11.671 -1.621 1.00 0.00 C ATOM 127 O ALA A 11 2.102 12.415 -0.729 1.00 0.00 O ATOM 128 CB ALA A 11 3.355 10.890 -3.324 1.00 0.00 C ATOM 0 H ALA A 11 0.715 9.538 -1.786 1.00 0.00 H new ATOM 0 HA ALA A 11 3.328 10.143 -1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.074 11.670 -3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.882 10.025 -3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.655 11.266 -4.070 1.00 0.00 H new ATOM 134 N PHE A 12 0.618 11.808 -2.276 1.00 0.00 N ATOM 135 CA PHE A 12 -0.289 12.925 -1.933 1.00 0.00 C ATOM 136 C PHE A 12 -1.107 12.485 -0.742 1.00 0.00 C ATOM 137 O PHE A 12 -1.798 13.288 -0.161 1.00 0.00 O ATOM 138 CB PHE A 12 -1.133 13.253 -3.201 1.00 0.00 C ATOM 139 CG PHE A 12 -2.642 13.028 -3.286 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.503 13.627 -2.391 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.161 12.252 -4.297 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.857 13.453 -2.502 1.00 0.00 C ATOM 143 CE2 PHE A 12 -4.523 12.084 -4.408 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.376 12.681 -3.510 1.00 0.00 C ATOM 0 H PHE A 12 0.297 11.196 -3.026 1.00 0.00 H new ATOM 0 HA PHE A 12 0.227 13.843 -1.651 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.967 14.308 -3.417 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.691 12.686 -4.020 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.106 14.239 -1.595 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.499 11.774 -5.004 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.519 13.926 -1.792 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.925 11.478 -5.207 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.444 12.544 -3.597 1.00 0.00 H new ATOM 154 N PHE A 13 -1.012 11.232 -0.375 1.00 0.00 N ATOM 155 CA PHE A 13 -1.803 10.776 0.800 1.00 0.00 C ATOM 156 C PHE A 13 -1.278 11.592 2.005 1.00 0.00 C ATOM 157 O PHE A 13 -2.053 12.097 2.789 1.00 0.00 O ATOM 158 CB PHE A 13 -1.581 9.267 1.017 1.00 0.00 C ATOM 159 CG PHE A 13 -2.804 8.733 1.783 1.00 0.00 C ATOM 160 CD1 PHE A 13 -3.038 9.084 3.102 1.00 0.00 C ATOM 161 CD2 PHE A 13 -3.706 7.899 1.143 1.00 0.00 C ATOM 162 CE1 PHE A 13 -4.152 8.615 3.765 1.00 0.00 C ATOM 163 CE2 PHE A 13 -4.819 7.429 1.808 1.00 0.00 C ATOM 164 CZ PHE A 13 -5.044 7.787 3.119 1.00 0.00 C ATOM 0 H PHE A 13 -0.435 10.523 -0.827 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.873 10.930 0.663 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.471 8.753 0.062 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.666 9.090 1.582 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.342 9.731 3.616 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.536 7.615 0.115 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.326 8.897 4.793 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.516 6.779 1.300 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.917 7.420 3.639 1.00 0.00 H new ATOM 174 N LEU A 14 0.026 11.711 2.117 1.00 0.00 N ATOM 175 CA LEU A 14 0.630 12.486 3.249 1.00 0.00 C ATOM 176 C LEU A 14 -0.023 13.887 3.250 1.00 0.00 C ATOM 177 O LEU A 14 -0.603 14.338 4.220 1.00 0.00 O ATOM 178 CB LEU A 14 2.179 12.600 3.042 1.00 0.00 C ATOM 179 CG LEU A 14 2.982 11.240 2.953 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.497 10.165 3.943 1.00 0.00 C ATOM 181 CD2 LEU A 14 3.075 10.662 1.521 1.00 0.00 C ATOM 0 H LEU A 14 0.700 11.302 1.470 1.00 0.00 H new ATOM 0 HA LEU A 14 0.454 11.989 4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.360 13.163 2.127 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.591 13.186 3.864 1.00 0.00 H new ATOM 0 HG LEU A 14 3.992 11.521 3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.096 9.262 3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.602 10.536 4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.450 9.935 3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.640 9.730 1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.072 10.470 1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.579 11.378 0.872 1.00 0.00 H new ATOM 193 N PHE A 15 0.113 14.525 2.119 1.00 0.00 N ATOM 194 CA PHE A 15 -0.445 15.889 1.882 1.00 0.00 C ATOM 195 C PHE A 15 -1.925 15.964 2.319 1.00 0.00 C ATOM 196 O PHE A 15 -2.310 16.732 3.180 1.00 0.00 O ATOM 197 CB PHE A 15 -0.214 16.134 0.376 1.00 0.00 C ATOM 198 CG PHE A 15 -0.998 17.282 -0.288 1.00 0.00 C ATOM 199 CD1 PHE A 15 -0.951 18.587 0.169 1.00 0.00 C ATOM 200 CD2 PHE A 15 -1.753 16.990 -1.415 1.00 0.00 C ATOM 201 CE1 PHE A 15 -1.652 19.570 -0.508 1.00 0.00 C ATOM 202 CE2 PHE A 15 -2.445 17.973 -2.081 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.394 19.262 -1.627 1.00 0.00 C ATOM 0 H PHE A 15 0.609 14.139 1.316 1.00 0.00 H new ATOM 0 HA PHE A 15 0.035 16.670 2.472 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.849 16.322 0.225 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.453 15.213 -0.155 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.372 18.837 1.046 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.798 15.973 -1.775 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.617 20.590 -0.155 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.026 17.729 -2.958 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.936 20.039 -2.146 1.00 0.00 H new ATOM 213 N CYS A 16 -2.713 15.137 1.690 1.00 0.00 N ATOM 214 CA CYS A 16 -4.177 15.042 1.953 1.00 0.00 C ATOM 215 C CYS A 16 -4.435 15.040 3.442 1.00 0.00 C ATOM 216 O CYS A 16 -5.197 15.848 3.920 1.00 0.00 O ATOM 217 CB CYS A 16 -4.760 13.740 1.337 1.00 0.00 C ATOM 218 SG CYS A 16 -4.630 12.152 2.195 1.00 0.00 S ATOM 0 H CYS A 16 -2.384 14.493 0.970 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.662 15.904 1.495 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.821 13.920 1.160 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.291 13.613 0.361 1.00 0.00 H new ATOM 223 N SER A 17 -3.781 14.132 4.119 1.00 0.00 N ATOM 224 CA SER A 17 -3.929 13.999 5.593 1.00 0.00 C ATOM 225 C SER A 17 -3.795 15.346 6.292 1.00 0.00 C ATOM 226 O SER A 17 -4.683 15.771 7.006 1.00 0.00 O ATOM 227 CB SER A 17 -2.858 13.046 6.095 1.00 0.00 C ATOM 228 OG SER A 17 -3.234 12.744 7.433 1.00 0.00 O ATOM 0 H SER A 17 -3.136 13.463 3.698 1.00 0.00 H new ATOM 0 HA SER A 17 -4.923 13.613 5.818 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.814 12.144 5.484 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.871 13.506 6.056 1.00 0.00 H new ATOM 0 HG SER A 17 -2.582 12.126 7.824 1.00 0.00 H new ATOM 234 N GLU A 18 -2.656 15.944 6.033 1.00 0.00 N ATOM 235 CA GLU A 18 -2.273 17.272 6.591 1.00 0.00 C ATOM 236 C GLU A 18 -3.485 18.197 6.696 1.00 0.00 C ATOM 237 O GLU A 18 -3.669 18.852 7.704 1.00 0.00 O ATOM 238 CB GLU A 18 -1.196 17.872 5.674 1.00 0.00 C ATOM 239 CG GLU A 18 -0.586 19.134 6.312 1.00 0.00 C ATOM 240 CD GLU A 18 0.587 19.634 5.444 1.00 0.00 C ATOM 241 OE1 GLU A 18 0.332 19.936 4.288 1.00 0.00 O ATOM 242 OE2 GLU A 18 1.678 19.684 5.988 1.00 0.00 O ATOM 0 H GLU A 18 -1.944 15.539 5.425 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.882 17.155 7.602 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.414 17.135 5.492 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.631 18.121 4.706 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.344 19.912 6.401 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.237 18.912 7.321 1.00 0.00 H new ATOM 249 N TYR A 19 -4.268 18.213 5.640 1.00 0.00 N ATOM 250 CA TYR A 19 -5.490 19.095 5.648 1.00 0.00 C ATOM 251 C TYR A 19 -6.793 18.400 5.227 1.00 0.00 C ATOM 252 O TYR A 19 -7.746 19.036 4.814 1.00 0.00 O ATOM 253 CB TYR A 19 -5.221 20.321 4.728 1.00 0.00 C ATOM 254 CG TYR A 19 -5.139 20.054 3.216 1.00 0.00 C ATOM 255 CD1 TYR A 19 -4.497 18.969 2.659 1.00 0.00 C ATOM 256 CD2 TYR A 19 -5.733 20.975 2.377 1.00 0.00 C ATOM 257 CE1 TYR A 19 -4.452 18.816 1.293 1.00 0.00 C ATOM 258 CE2 TYR A 19 -5.691 20.822 1.012 1.00 0.00 C ATOM 259 CZ TYR A 19 -5.052 19.742 0.457 1.00 0.00 C ATOM 260 OH TYR A 19 -5.025 19.618 -0.916 1.00 0.00 O ATOM 0 H TYR A 19 -4.122 17.668 4.790 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.651 19.393 6.684 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.010 21.053 4.900 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.284 20.781 5.042 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.027 18.236 3.298 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.239 21.830 2.800 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.943 17.964 0.868 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.163 21.554 0.374 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.227 19.117 -1.184 1.00 0.00 H new ATOM 270 N ARG A 20 -6.807 17.100 5.355 1.00 0.00 N ATOM 271 CA ARG A 20 -8.007 16.299 4.983 1.00 0.00 C ATOM 272 C ARG A 20 -9.292 16.835 5.643 1.00 0.00 C ATOM 273 O ARG A 20 -10.247 17.070 4.930 1.00 0.00 O ATOM 274 CB ARG A 20 -7.702 14.817 5.370 1.00 0.00 C ATOM 275 CG ARG A 20 -8.938 13.917 5.216 1.00 0.00 C ATOM 276 CD ARG A 20 -8.454 12.457 5.245 1.00 0.00 C ATOM 277 NE ARG A 20 -9.639 11.550 5.248 1.00 0.00 N ATOM 278 CZ ARG A 20 -9.738 10.621 6.162 1.00 0.00 C ATOM 279 NH1 ARG A 20 -9.051 9.520 6.009 1.00 0.00 N ATOM 280 NH2 ARG A 20 -10.511 10.821 7.194 1.00 0.00 N ATOM 0 H ARG A 20 -6.023 16.551 5.708 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.200 16.372 3.913 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.896 14.437 4.742 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.350 14.776 6.401 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.649 14.101 6.021 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.454 14.131 4.280 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.826 12.252 4.378 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.843 12.281 6.130 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.367 11.654 4.541 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.455 9.401 5.190 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.111 8.780 6.708 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.030 11.695 7.281 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.596 10.103 7.914 1.00 0.00 H new ATOM 294 N PRO A 21 -9.318 17.042 6.944 1.00 0.00 N ATOM 295 CA PRO A 21 -10.565 17.403 7.672 1.00 0.00 C ATOM 296 C PRO A 21 -10.722 18.938 7.685 1.00 0.00 C ATOM 297 O PRO A 21 -11.598 19.476 8.335 1.00 0.00 O ATOM 298 CB PRO A 21 -10.337 16.784 9.031 1.00 0.00 C ATOM 299 CG PRO A 21 -8.839 17.119 9.279 1.00 0.00 C ATOM 300 CD PRO A 21 -8.167 16.954 7.890 1.00 0.00 C ATOM 0 HA PRO A 21 -11.496 17.044 7.233 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.985 17.217 9.793 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.522 15.710 9.028 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.717 18.133 9.661 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.399 16.446 10.015 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.431 17.736 7.703 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.647 16.000 7.805 1.00 0.00 H new ATOM 308 N LYS A 22 -9.862 19.587 6.940 1.00 0.00 N ATOM 309 CA LYS A 22 -9.870 21.073 6.847 1.00 0.00 C ATOM 310 C LYS A 22 -10.673 21.477 5.608 1.00 0.00 C ATOM 311 O LYS A 22 -11.444 22.413 5.667 1.00 0.00 O ATOM 312 CB LYS A 22 -8.411 21.578 6.732 1.00 0.00 C ATOM 313 CG LYS A 22 -8.344 23.118 6.916 1.00 0.00 C ATOM 314 CD LYS A 22 -8.673 23.589 8.370 1.00 0.00 C ATOM 315 CE LYS A 22 -7.555 23.217 9.380 1.00 0.00 C ATOM 316 NZ LYS A 22 -7.522 21.753 9.657 1.00 0.00 N ATOM 0 H LYS A 22 -9.139 19.135 6.381 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.327 21.513 7.733 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.792 21.090 7.485 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.003 21.306 5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.346 23.465 6.648 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.042 23.589 6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.818 24.669 8.375 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.613 23.139 8.691 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.589 23.534 8.986 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.712 23.760 10.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.275 21.594 10.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.457 21.342 9.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.811 21.300 9.048 1.00 0.00 H new ATOM 330 N ILE A 23 -10.495 20.765 4.521 1.00 0.00 N ATOM 331 CA ILE A 23 -11.246 21.116 3.283 1.00 0.00 C ATOM 332 C ILE A 23 -12.597 20.440 3.403 1.00 0.00 C ATOM 333 O ILE A 23 -13.603 20.922 2.929 1.00 0.00 O ATOM 334 CB ILE A 23 -10.490 20.610 2.015 1.00 0.00 C ATOM 335 CG1 ILE A 23 -9.942 19.154 2.170 1.00 0.00 C ATOM 336 CG2 ILE A 23 -9.337 21.603 1.735 1.00 0.00 C ATOM 337 CD1 ILE A 23 -9.453 18.621 0.799 1.00 0.00 C ATOM 0 H ILE A 23 -9.868 19.965 4.441 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.350 22.196 3.178 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.189 20.570 1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.122 19.140 2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.722 18.503 2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.785 21.280 0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.748 22.598 1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.665 21.632 2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.073 17.606 0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.283 18.617 0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.658 19.264 0.421 1.00 0.00 H new ATOM 349 N LYS A 24 -12.546 19.321 4.063 1.00 0.00 N ATOM 350 CA LYS A 24 -13.736 18.485 4.316 1.00 0.00 C ATOM 351 C LYS A 24 -14.564 19.181 5.407 1.00 0.00 C ATOM 352 O LYS A 24 -15.777 19.070 5.426 1.00 0.00 O ATOM 353 CB LYS A 24 -13.179 17.150 4.727 1.00 0.00 C ATOM 354 CG LYS A 24 -14.313 16.117 4.933 1.00 0.00 C ATOM 355 CD LYS A 24 -13.750 14.676 4.924 1.00 0.00 C ATOM 356 CE LYS A 24 -12.740 14.433 6.062 1.00 0.00 C ATOM 357 NZ LYS A 24 -12.266 13.020 5.995 1.00 0.00 N ATOM 0 H LYS A 24 -11.684 18.940 4.453 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.404 18.347 3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.488 16.790 3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.608 17.258 5.649 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.819 16.309 5.879 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.058 16.226 4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.573 13.967 5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.267 14.483 3.966 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.897 15.118 5.970 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.206 14.629 7.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.306 12.957 6.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.908 12.412 6.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.253 12.705 5.004 1.00 0.00 H new ATOM 371 N GLY A 25 -13.875 19.883 6.277 1.00 0.00 N ATOM 372 CA GLY A 25 -14.557 20.612 7.388 1.00 0.00 C ATOM 373 C GLY A 25 -15.379 21.762 6.786 1.00 0.00 C ATOM 374 O GLY A 25 -16.462 22.076 7.241 1.00 0.00 O ATOM 0 H GLY A 25 -12.860 19.981 6.262 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -15.205 19.934 7.944 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.822 21.001 8.093 1.00 0.00 H new ATOM 378 N GLU A 26 -14.807 22.347 5.765 1.00 0.00 N ATOM 379 CA GLU A 26 -15.437 23.486 5.037 1.00 0.00 C ATOM 380 C GLU A 26 -16.539 23.026 4.080 1.00 0.00 C ATOM 381 O GLU A 26 -17.631 23.559 4.084 1.00 0.00 O ATOM 382 CB GLU A 26 -14.350 24.211 4.236 1.00 0.00 C ATOM 383 CG GLU A 26 -13.292 24.788 5.187 1.00 0.00 C ATOM 384 CD GLU A 26 -13.862 25.995 5.956 1.00 0.00 C ATOM 385 OE1 GLU A 26 -14.191 26.963 5.289 1.00 0.00 O ATOM 386 OE2 GLU A 26 -13.937 25.879 7.168 1.00 0.00 O ATOM 0 H GLU A 26 -13.898 22.071 5.395 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.896 24.146 5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.882 23.520 3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -14.795 25.012 3.646 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.969 24.020 5.890 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.412 25.092 4.620 1.00 0.00 H new ATOM 393 N HIS A 27 -16.201 22.040 3.293 1.00 0.00 N ATOM 394 CA HIS A 27 -17.127 21.456 2.292 1.00 0.00 C ATOM 395 C HIS A 27 -17.286 19.957 2.591 1.00 0.00 C ATOM 396 O HIS A 27 -16.661 19.121 1.965 1.00 0.00 O ATOM 397 CB HIS A 27 -16.513 21.698 0.891 1.00 0.00 C ATOM 398 CG HIS A 27 -15.878 23.093 0.854 1.00 0.00 C ATOM 399 ND1 HIS A 27 -16.521 24.214 0.862 1.00 0.00 N ATOM 400 CD2 HIS A 27 -14.543 23.464 0.815 1.00 0.00 C ATOM 401 CE1 HIS A 27 -15.679 25.198 0.832 1.00 0.00 C ATOM 402 NE2 HIS A 27 -14.437 24.777 0.802 1.00 0.00 N ATOM 0 H HIS A 27 -15.280 21.601 3.308 1.00 0.00 H new ATOM 0 HA HIS A 27 -18.115 21.914 2.330 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.763 20.938 0.673 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -17.283 21.615 0.124 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.710 22.776 0.798 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.965 26.239 0.832 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.585 25.337 0.775 1.00 0.00 H new ATOM 410 N PRO A 28 -18.117 19.648 3.558 1.00 0.00 N ATOM 411 CA PRO A 28 -18.620 18.267 3.771 1.00 0.00 C ATOM 412 C PRO A 28 -19.781 17.998 2.793 1.00 0.00 C ATOM 413 O PRO A 28 -20.773 17.390 3.151 1.00 0.00 O ATOM 414 CB PRO A 28 -19.017 18.278 5.240 1.00 0.00 C ATOM 415 CG PRO A 28 -19.627 19.702 5.386 1.00 0.00 C ATOM 416 CD PRO A 28 -18.653 20.597 4.573 1.00 0.00 C ATOM 0 HA PRO A 28 -17.909 17.464 3.574 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.739 17.496 5.476 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -18.160 18.129 5.898 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -20.641 19.747 4.988 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -19.680 20.011 6.430 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.166 21.440 4.110 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -17.863 21.011 5.200 1.00 0.00 H new ATOM 424 N GLY A 29 -19.604 18.470 1.583 1.00 0.00 N ATOM 425 CA GLY A 29 -20.623 18.301 0.515 1.00 0.00 C ATOM 426 C GLY A 29 -19.999 17.864 -0.811 1.00 0.00 C ATOM 427 O GLY A 29 -20.608 18.060 -1.845 1.00 0.00 O ATOM 0 H GLY A 29 -18.770 18.979 1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.359 17.561 0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -21.157 19.240 0.372 1.00 0.00 H new ATOM 431 N LEU A 30 -18.819 17.290 -0.758 1.00 0.00 N ATOM 432 CA LEU A 30 -18.160 16.836 -2.016 1.00 0.00 C ATOM 433 C LEU A 30 -18.314 15.301 -2.052 1.00 0.00 C ATOM 434 O LEU A 30 -19.088 14.800 -2.844 1.00 0.00 O ATOM 435 CB LEU A 30 -16.655 17.222 -2.007 1.00 0.00 C ATOM 436 CG LEU A 30 -16.321 18.573 -1.371 1.00 0.00 C ATOM 437 CD1 LEU A 30 -14.790 18.756 -1.491 1.00 0.00 C ATOM 438 CD2 LEU A 30 -17.013 19.706 -2.143 1.00 0.00 C ATOM 0 H LEU A 30 -18.291 17.119 0.098 1.00 0.00 H new ATOM 0 HA LEU A 30 -18.612 17.304 -2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.103 16.445 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -16.293 17.226 -3.035 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.655 18.601 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.502 19.710 -1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.284 17.945 -0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.503 18.742 -2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -16.768 20.663 -1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -16.670 19.704 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -18.092 19.557 -2.118 1.00 0.00 H new ATOM 450 N SER A 31 -17.562 14.654 -1.187 1.00 0.00 N ATOM 451 CA SER A 31 -17.483 13.160 -0.962 1.00 0.00 C ATOM 452 C SER A 31 -16.021 12.750 -0.864 1.00 0.00 C ATOM 453 O SER A 31 -15.143 13.517 -1.181 1.00 0.00 O ATOM 454 CB SER A 31 -18.091 12.322 -2.121 1.00 0.00 C ATOM 455 OG SER A 31 -19.496 12.461 -1.965 1.00 0.00 O ATOM 0 H SER A 31 -16.933 15.159 -0.562 1.00 0.00 H new ATOM 0 HA SER A 31 -18.050 12.964 -0.052 1.00 0.00 H new ATOM 0 HB2 SER A 31 -17.762 12.691 -3.092 1.00 0.00 H new ATOM 0 HB3 SER A 31 -17.786 11.277 -2.057 1.00 0.00 H new ATOM 0 HG SER A 31 -19.786 13.311 -2.356 1.00 0.00 H new ATOM 461 N ILE A 32 -15.785 11.539 -0.436 1.00 0.00 N ATOM 462 CA ILE A 32 -14.382 11.042 -0.307 1.00 0.00 C ATOM 463 C ILE A 32 -13.748 10.837 -1.692 1.00 0.00 C ATOM 464 O ILE A 32 -12.576 10.551 -1.820 1.00 0.00 O ATOM 465 CB ILE A 32 -14.443 9.728 0.485 1.00 0.00 C ATOM 466 CG1 ILE A 32 -13.027 9.219 0.872 1.00 0.00 C ATOM 467 CG2 ILE A 32 -15.175 8.625 -0.328 1.00 0.00 C ATOM 468 CD1 ILE A 32 -12.264 10.250 1.743 1.00 0.00 C ATOM 0 H ILE A 32 -16.506 10.869 -0.169 1.00 0.00 H new ATOM 0 HA ILE A 32 -13.757 11.767 0.214 1.00 0.00 H new ATOM 0 HB ILE A 32 -14.998 9.938 1.399 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.115 8.278 1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -12.455 9.013 -0.033 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -15.205 7.704 0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -16.192 8.949 -0.547 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -14.642 8.447 -1.262 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -11.278 9.857 1.993 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.153 11.183 1.190 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.823 10.436 2.660 1.00 0.00 H new ATOM 480 N GLY A 33 -14.583 11.001 -2.678 1.00 0.00 N ATOM 481 CA GLY A 33 -14.175 10.850 -4.104 1.00 0.00 C ATOM 482 C GLY A 33 -14.044 12.232 -4.747 1.00 0.00 C ATOM 483 O GLY A 33 -13.596 12.340 -5.871 1.00 0.00 O ATOM 0 H GLY A 33 -15.566 11.242 -2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.227 10.316 -4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.912 10.255 -4.643 1.00 0.00 H new ATOM 487 N ASP A 34 -14.427 13.254 -4.019 1.00 0.00 N ATOM 488 CA ASP A 34 -14.351 14.637 -4.531 1.00 0.00 C ATOM 489 C ASP A 34 -13.249 15.349 -3.774 1.00 0.00 C ATOM 490 O ASP A 34 -12.487 16.093 -4.348 1.00 0.00 O ATOM 491 CB ASP A 34 -15.722 15.244 -4.325 1.00 0.00 C ATOM 492 CG ASP A 34 -16.678 14.745 -5.429 1.00 0.00 C ATOM 493 OD1 ASP A 34 -16.403 15.064 -6.576 1.00 0.00 O ATOM 494 OD2 ASP A 34 -17.631 14.072 -5.076 1.00 0.00 O ATOM 0 H ASP A 34 -14.796 13.174 -3.071 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.103 14.708 -5.590 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.109 14.970 -3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.657 16.332 -4.350 1.00 0.00 H new ATOM 499 N VAL A 35 -13.195 15.101 -2.497 1.00 0.00 N ATOM 500 CA VAL A 35 -12.160 15.710 -1.617 1.00 0.00 C ATOM 501 C VAL A 35 -10.837 15.161 -2.181 1.00 0.00 C ATOM 502 O VAL A 35 -9.838 15.842 -2.270 1.00 0.00 O ATOM 503 CB VAL A 35 -12.412 15.221 -0.159 1.00 0.00 C ATOM 504 CG1 VAL A 35 -11.224 15.559 0.755 1.00 0.00 C ATOM 505 CG2 VAL A 35 -13.659 15.890 0.453 1.00 0.00 C ATOM 0 H VAL A 35 -13.845 14.483 -2.012 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.163 16.800 -1.595 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.553 14.142 -0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.430 15.205 1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.324 15.074 0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.074 16.638 0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.805 15.526 1.470 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.520 16.971 0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.535 15.647 -0.149 1.00 0.00 H new ATOM 515 N ALA A 36 -10.935 13.913 -2.563 1.00 0.00 N ATOM 516 CA ALA A 36 -9.805 13.149 -3.127 1.00 0.00 C ATOM 517 C ALA A 36 -9.487 13.537 -4.558 1.00 0.00 C ATOM 518 O ALA A 36 -8.335 13.781 -4.846 1.00 0.00 O ATOM 519 CB ALA A 36 -10.156 11.671 -3.053 1.00 0.00 C ATOM 0 H ALA A 36 -11.800 13.377 -2.499 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.912 13.374 -2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.337 11.081 -3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.321 11.388 -2.013 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.062 11.483 -3.628 1.00 0.00 H new ATOM 525 N LYS A 37 -10.466 13.593 -5.429 1.00 0.00 N ATOM 526 CA LYS A 37 -10.103 13.978 -6.823 1.00 0.00 C ATOM 527 C LYS A 37 -9.724 15.468 -6.889 1.00 0.00 C ATOM 528 O LYS A 37 -8.975 15.861 -7.760 1.00 0.00 O ATOM 529 CB LYS A 37 -11.295 13.690 -7.798 1.00 0.00 C ATOM 530 CG LYS A 37 -12.292 14.879 -7.930 1.00 0.00 C ATOM 531 CD LYS A 37 -13.454 14.562 -8.914 1.00 0.00 C ATOM 532 CE LYS A 37 -12.936 14.135 -10.314 1.00 0.00 C ATOM 533 NZ LYS A 37 -12.503 12.705 -10.306 1.00 0.00 N ATOM 0 H LYS A 37 -11.451 13.399 -5.248 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.244 13.381 -7.129 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.897 13.449 -8.784 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.835 12.810 -7.448 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.703 15.117 -6.949 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.757 15.764 -8.275 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.073 13.766 -8.499 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.091 15.440 -9.016 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.721 14.278 -11.056 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.101 14.771 -10.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.482 12.651 -10.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.707 12.286 -9.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.019 12.182 -11.042 1.00 0.00 H new ATOM 547 N LYS A 38 -10.226 16.265 -5.977 1.00 0.00 N ATOM 548 CA LYS A 38 -9.901 17.713 -5.995 1.00 0.00 C ATOM 549 C LYS A 38 -8.501 17.932 -5.431 1.00 0.00 C ATOM 550 O LYS A 38 -7.653 18.488 -6.100 1.00 0.00 O ATOM 551 CB LYS A 38 -10.939 18.471 -5.143 1.00 0.00 C ATOM 552 CG LYS A 38 -10.726 20.003 -5.265 1.00 0.00 C ATOM 553 CD LYS A 38 -11.194 20.523 -6.654 1.00 0.00 C ATOM 554 CE LYS A 38 -12.733 20.556 -6.712 1.00 0.00 C ATOM 555 NZ LYS A 38 -13.237 21.558 -5.728 1.00 0.00 N ATOM 0 H LYS A 38 -10.846 15.969 -5.223 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.929 18.086 -7.019 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.946 18.211 -5.469 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.853 18.168 -4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.278 20.514 -4.477 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.672 20.240 -5.121 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.794 21.521 -6.832 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.806 19.879 -7.443 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.066 20.815 -7.717 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.139 19.570 -6.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.180 21.887 -6.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.298 21.120 -4.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.584 22.367 -5.691 1.00 0.00 H new ATOM 569 N LEU A 39 -8.267 17.486 -4.223 1.00 0.00 N ATOM 570 CA LEU A 39 -6.916 17.687 -3.636 1.00 0.00 C ATOM 571 C LEU A 39 -5.914 16.814 -4.404 1.00 0.00 C ATOM 572 O LEU A 39 -4.766 17.185 -4.519 1.00 0.00 O ATOM 573 CB LEU A 39 -7.121 17.400 -2.112 1.00 0.00 C ATOM 574 CG LEU A 39 -6.603 16.096 -1.580 1.00 0.00 C ATOM 575 CD1 LEU A 39 -5.115 16.306 -1.219 1.00 0.00 C ATOM 576 CD2 LEU A 39 -7.369 15.737 -0.278 1.00 0.00 C ATOM 0 H LEU A 39 -8.941 17.001 -3.630 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.482 18.683 -3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.647 18.205 -1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.189 17.450 -1.900 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.730 15.302 -2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.701 15.377 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.562 16.602 -2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.031 17.088 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.997 14.790 0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.215 16.522 0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.433 15.647 -0.495 1.00 0.00 H new ATOM 588 N GLY A 40 -6.333 15.686 -4.920 1.00 0.00 N ATOM 589 CA GLY A 40 -5.372 14.827 -5.689 1.00 0.00 C ATOM 590 C GLY A 40 -4.834 15.664 -6.857 1.00 0.00 C ATOM 591 O GLY A 40 -3.673 15.578 -7.202 1.00 0.00 O ATOM 0 H GLY A 40 -7.284 15.324 -4.846 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.556 14.496 -5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.870 13.931 -6.058 1.00 0.00 H new ATOM 595 N GLU A 41 -5.694 16.463 -7.439 1.00 0.00 N ATOM 596 CA GLU A 41 -5.239 17.311 -8.572 1.00 0.00 C ATOM 597 C GLU A 41 -4.280 18.358 -8.008 1.00 0.00 C ATOM 598 O GLU A 41 -3.201 18.534 -8.532 1.00 0.00 O ATOM 599 CB GLU A 41 -6.422 18.025 -9.228 1.00 0.00 C ATOM 600 CG GLU A 41 -7.250 17.041 -10.079 1.00 0.00 C ATOM 601 CD GLU A 41 -6.400 16.492 -11.242 1.00 0.00 C ATOM 602 OE1 GLU A 41 -6.017 17.295 -12.075 1.00 0.00 O ATOM 603 OE2 GLU A 41 -6.181 15.292 -11.227 1.00 0.00 O ATOM 0 H GLU A 41 -6.676 16.561 -7.180 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.755 16.688 -9.324 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.055 18.471 -8.461 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.059 18.839 -9.855 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.601 16.218 -9.457 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.134 17.544 -10.471 1.00 0.00 H new ATOM 610 N MET A 42 -4.704 19.013 -6.951 1.00 0.00 N ATOM 611 CA MET A 42 -3.863 20.068 -6.297 1.00 0.00 C ATOM 612 C MET A 42 -2.432 19.582 -6.131 1.00 0.00 C ATOM 613 O MET A 42 -1.489 20.280 -6.431 1.00 0.00 O ATOM 614 CB MET A 42 -4.450 20.378 -4.959 1.00 0.00 C ATOM 615 CG MET A 42 -5.846 21.014 -5.133 1.00 0.00 C ATOM 616 SD MET A 42 -5.917 22.688 -5.824 1.00 0.00 S ATOM 617 CE MET A 42 -6.298 22.281 -7.548 1.00 0.00 C ATOM 0 H MET A 42 -5.610 18.859 -6.508 1.00 0.00 H new ATOM 0 HA MET A 42 -3.849 20.962 -6.920 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.527 19.467 -4.366 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.796 21.059 -4.414 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.437 20.359 -5.773 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.333 21.031 -4.158 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.760 22.960 -8.210 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.994 21.255 -7.755 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.370 22.383 -7.718 1.00 0.00 H new ATOM 627 N TRP A 43 -2.353 18.379 -5.632 1.00 0.00 N ATOM 628 CA TRP A 43 -1.067 17.684 -5.393 1.00 0.00 C ATOM 629 C TRP A 43 -0.241 17.718 -6.659 1.00 0.00 C ATOM 630 O TRP A 43 0.899 18.138 -6.651 1.00 0.00 O ATOM 631 CB TRP A 43 -1.403 16.283 -4.997 1.00 0.00 C ATOM 632 CG TRP A 43 -0.170 15.407 -5.029 1.00 0.00 C ATOM 633 CD1 TRP A 43 0.077 14.465 -5.965 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.817 15.421 -4.124 1.00 0.00 C ATOM 635 NE1 TRP A 43 1.218 13.956 -5.554 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.753 14.459 -4.450 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.978 16.221 -3.000 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.863 14.287 -3.638 1.00 0.00 C ATOM 639 CZ3 TRP A 43 2.082 16.052 -2.188 1.00 0.00 C ATOM 640 CH2 TRP A 43 3.022 15.084 -2.510 1.00 0.00 C ATOM 0 H TRP A 43 -3.171 17.829 -5.370 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.481 18.162 -4.607 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.834 16.276 -3.996 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.159 15.881 -5.672 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.512 14.198 -6.830 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.675 13.201 -6.066 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.241 16.974 -2.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.601 13.537 -3.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.212 16.668 -1.310 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.887 14.948 -1.878 1.00 0.00 H new ATOM 651 N ASN A 44 -0.879 17.271 -7.711 1.00 0.00 N ATOM 652 CA ASN A 44 -0.176 17.242 -9.024 1.00 0.00 C ATOM 653 C ASN A 44 0.357 18.642 -9.371 1.00 0.00 C ATOM 654 O ASN A 44 1.261 18.783 -10.170 1.00 0.00 O ATOM 655 CB ASN A 44 -1.156 16.727 -10.120 1.00 0.00 C ATOM 656 CG ASN A 44 -1.624 15.310 -9.735 1.00 0.00 C ATOM 657 OD1 ASN A 44 -2.895 15.015 -9.771 1.00 0.00 O flip ATOM 658 ND2 ASN A 44 -0.831 14.454 -9.396 1.00 0.00 N flip ATOM 0 H ASN A 44 -1.840 16.931 -7.717 1.00 0.00 H new ATOM 0 HA ASN A 44 0.676 16.565 -8.970 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.011 17.397 -10.208 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.662 16.711 -11.092 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.166 14.667 -9.362 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.162 13.522 -9.145 1.00 0.00 H new ATOM 665 N ASN A 45 -0.248 19.627 -8.744 1.00 0.00 N ATOM 666 CA ASN A 45 0.137 21.064 -8.949 1.00 0.00 C ATOM 667 C ASN A 45 0.533 21.784 -7.630 1.00 0.00 C ATOM 668 O ASN A 45 0.270 22.966 -7.500 1.00 0.00 O ATOM 669 CB ASN A 45 -1.058 21.806 -9.586 1.00 0.00 C ATOM 670 CG ASN A 45 -1.776 20.892 -10.577 1.00 0.00 C ATOM 671 OD1 ASN A 45 -2.989 20.529 -10.265 1.00 0.00 O flip ATOM 672 ND2 ASN A 45 -1.252 20.509 -11.605 1.00 0.00 N flip ATOM 0 H ASN A 45 -1.012 19.491 -8.082 1.00 0.00 H new ATOM 0 HA ASN A 45 1.014 21.079 -9.597 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.751 22.129 -8.809 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.709 22.704 -10.095 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.302 20.803 -11.834 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.762 19.894 -12.239 1.00 0.00 H new ATOM 679 N THR A 46 1.151 21.106 -6.684 1.00 0.00 N ATOM 680 CA THR A 46 1.526 21.820 -5.414 1.00 0.00 C ATOM 681 C THR A 46 2.816 22.579 -5.731 1.00 0.00 C ATOM 682 O THR A 46 2.928 23.758 -5.454 1.00 0.00 O ATOM 683 CB THR A 46 1.741 20.779 -4.239 1.00 0.00 C ATOM 684 OG1 THR A 46 1.952 21.612 -3.104 1.00 0.00 O ATOM 685 CG2 THR A 46 3.027 19.920 -4.300 1.00 0.00 C ATOM 0 H THR A 46 1.406 20.119 -6.732 1.00 0.00 H new ATOM 0 HA THR A 46 0.743 22.502 -5.082 1.00 0.00 H new ATOM 0 HB THR A 46 0.896 20.091 -4.255 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.096 21.054 -2.311 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.057 19.249 -3.442 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.030 19.334 -5.219 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.901 20.571 -4.282 1.00 0.00 H new ATOM 693 N ALA A 47 3.743 21.862 -6.307 1.00 0.00 N ATOM 694 CA ALA A 47 5.055 22.441 -6.692 1.00 0.00 C ATOM 695 C ALA A 47 5.800 21.412 -7.533 1.00 0.00 C ATOM 696 O ALA A 47 6.203 21.710 -8.637 1.00 0.00 O ATOM 697 CB ALA A 47 5.883 22.763 -5.456 1.00 0.00 C ATOM 0 H ALA A 47 3.639 20.872 -6.531 1.00 0.00 H new ATOM 0 HA ALA A 47 4.894 23.362 -7.252 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.841 23.186 -5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.348 23.483 -4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.054 21.850 -4.885 1.00 0.00 H new ATOM 703 N ALA A 48 5.934 20.250 -6.935 1.00 0.00 N ATOM 704 CA ALA A 48 6.623 19.037 -7.497 1.00 0.00 C ATOM 705 C ALA A 48 7.929 18.973 -6.715 1.00 0.00 C ATOM 706 O ALA A 48 8.396 17.913 -6.343 1.00 0.00 O ATOM 707 CB ALA A 48 6.956 19.159 -9.013 1.00 0.00 C ATOM 0 H ALA A 48 5.560 20.084 -6.001 1.00 0.00 H new ATOM 0 HA ALA A 48 5.984 18.158 -7.407 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.452 18.249 -9.351 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.035 19.302 -9.578 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.615 20.012 -9.173 1.00 0.00 H new ATOM 713 N ASP A 49 8.471 20.143 -6.476 1.00 0.00 N ATOM 714 CA ASP A 49 9.748 20.241 -5.718 1.00 0.00 C ATOM 715 C ASP A 49 9.388 20.275 -4.212 1.00 0.00 C ATOM 716 O ASP A 49 10.256 20.266 -3.358 1.00 0.00 O ATOM 717 CB ASP A 49 10.493 21.537 -6.167 1.00 0.00 C ATOM 718 CG ASP A 49 10.209 22.742 -5.241 1.00 0.00 C ATOM 719 OD1 ASP A 49 9.049 23.097 -5.131 1.00 0.00 O ATOM 720 OD2 ASP A 49 11.177 23.235 -4.689 1.00 0.00 O ATOM 0 H ASP A 49 8.079 21.035 -6.777 1.00 0.00 H new ATOM 0 HA ASP A 49 10.408 19.394 -5.907 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.566 21.345 -6.188 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.194 21.788 -7.185 1.00 0.00 H new ATOM 725 N ASP A 50 8.100 20.313 -3.955 1.00 0.00 N ATOM 726 CA ASP A 50 7.548 20.347 -2.564 1.00 0.00 C ATOM 727 C ASP A 50 6.806 19.018 -2.349 1.00 0.00 C ATOM 728 O ASP A 50 6.190 18.798 -1.323 1.00 0.00 O ATOM 729 CB ASP A 50 6.558 21.519 -2.418 1.00 0.00 C ATOM 730 CG ASP A 50 6.117 21.667 -0.950 1.00 0.00 C ATOM 731 OD1 ASP A 50 6.986 21.956 -0.141 1.00 0.00 O ATOM 732 OD2 ASP A 50 4.934 21.482 -0.715 1.00 0.00 O ATOM 0 H ASP A 50 7.384 20.322 -4.682 1.00 0.00 H new ATOM 0 HA ASP A 50 8.345 20.481 -1.832 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.025 22.443 -2.759 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.687 21.349 -3.051 1.00 0.00 H new ATOM 737 N LYS A 51 6.898 18.170 -3.346 1.00 0.00 N ATOM 738 CA LYS A 51 6.246 16.840 -3.297 1.00 0.00 C ATOM 739 C LYS A 51 7.361 15.927 -2.866 1.00 0.00 C ATOM 740 O LYS A 51 7.167 15.180 -1.938 1.00 0.00 O ATOM 741 CB LYS A 51 5.724 16.401 -4.694 1.00 0.00 C ATOM 742 CG LYS A 51 4.470 17.232 -5.007 1.00 0.00 C ATOM 743 CD LYS A 51 3.503 16.471 -5.940 1.00 0.00 C ATOM 744 CE LYS A 51 3.766 16.649 -7.433 1.00 0.00 C ATOM 745 NZ LYS A 51 3.590 18.076 -7.836 1.00 0.00 N ATOM 0 H LYS A 51 7.411 18.357 -4.207 1.00 0.00 H new ATOM 0 HA LYS A 51 5.380 16.832 -2.636 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.488 16.560 -5.455 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.488 15.337 -4.697 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.958 17.483 -4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.763 18.172 -5.474 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.555 15.409 -5.702 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.485 16.796 -5.725 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.778 16.322 -7.670 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.085 16.018 -8.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.084 18.246 -8.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.577 18.281 -7.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.986 18.696 -7.101 1.00 0.00 H new ATOM 759 N GLN A 52 8.476 16.013 -3.553 1.00 0.00 N ATOM 760 CA GLN A 52 9.680 15.178 -3.242 1.00 0.00 C ATOM 761 C GLN A 52 9.753 14.715 -1.760 1.00 0.00 C ATOM 762 O GLN A 52 9.866 13.533 -1.540 1.00 0.00 O ATOM 763 CB GLN A 52 10.950 16.007 -3.633 1.00 0.00 C ATOM 764 CG GLN A 52 12.033 15.081 -4.242 1.00 0.00 C ATOM 765 CD GLN A 52 11.580 14.483 -5.597 1.00 0.00 C ATOM 766 OE1 GLN A 52 10.410 14.785 -6.097 1.00 0.00 O flip ATOM 767 NE2 GLN A 52 12.303 13.726 -6.215 1.00 0.00 N flip ATOM 0 H GLN A 52 8.604 16.648 -4.341 1.00 0.00 H new ATOM 0 HA GLN A 52 9.617 14.257 -3.821 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.680 16.782 -4.350 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.348 16.512 -2.753 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.956 15.644 -4.383 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.256 14.274 -3.544 1.00 0.00 H new ATOM 0 HE21 GLN A 52 13.219 13.478 -5.842 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.993 13.339 -7.106 1.00 0.00 H new ATOM 776 N PRO A 53 9.683 15.604 -0.786 1.00 0.00 N ATOM 777 CA PRO A 53 9.548 15.230 0.659 1.00 0.00 C ATOM 778 C PRO A 53 8.500 14.138 0.965 1.00 0.00 C ATOM 779 O PRO A 53 8.818 13.081 1.475 1.00 0.00 O ATOM 780 CB PRO A 53 9.241 16.568 1.362 1.00 0.00 C ATOM 781 CG PRO A 53 8.740 17.473 0.205 1.00 0.00 C ATOM 782 CD PRO A 53 9.694 17.090 -0.928 1.00 0.00 C ATOM 0 HA PRO A 53 10.461 14.755 1.018 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.484 16.450 2.137 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.127 16.983 1.842 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.700 17.271 -0.051 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.807 18.532 0.456 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.335 17.418 -1.904 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.689 17.514 -0.796 1.00 0.00 H new ATOM 790 N TYR A 54 7.271 14.438 0.628 1.00 0.00 N ATOM 791 CA TYR A 54 6.132 13.489 0.861 1.00 0.00 C ATOM 792 C TYR A 54 6.350 12.248 -0.002 1.00 0.00 C ATOM 793 O TYR A 54 6.243 11.121 0.436 1.00 0.00 O ATOM 794 CB TYR A 54 4.832 14.161 0.456 1.00 0.00 C ATOM 795 CG TYR A 54 4.384 15.298 1.392 1.00 0.00 C ATOM 796 CD1 TYR A 54 4.273 15.113 2.757 1.00 0.00 C ATOM 797 CD2 TYR A 54 4.067 16.533 0.864 1.00 0.00 C ATOM 798 CE1 TYR A 54 3.853 16.142 3.572 1.00 0.00 C ATOM 799 CE2 TYR A 54 3.647 17.563 1.677 1.00 0.00 C ATOM 800 CZ TYR A 54 3.536 17.377 3.040 1.00 0.00 C ATOM 801 OH TYR A 54 3.112 18.409 3.853 1.00 0.00 O ATOM 0 H TYR A 54 7.001 15.319 0.192 1.00 0.00 H new ATOM 0 HA TYR A 54 6.083 13.209 1.913 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.942 14.560 -0.553 1.00 0.00 H new ATOM 0 HB3 TYR A 54 4.045 13.408 0.417 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.517 14.154 3.189 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.149 16.694 -0.201 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.771 15.981 4.637 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.403 18.522 1.245 1.00 0.00 H new ATOM 0 HH TYR A 54 2.586 18.045 4.595 1.00 0.00 H new ATOM 811 N GLU A 55 6.642 12.519 -1.242 1.00 0.00 N ATOM 812 CA GLU A 55 6.896 11.440 -2.234 1.00 0.00 C ATOM 813 C GLU A 55 7.879 10.398 -1.682 1.00 0.00 C ATOM 814 O GLU A 55 7.589 9.221 -1.688 1.00 0.00 O ATOM 815 CB GLU A 55 7.424 12.129 -3.509 1.00 0.00 C ATOM 816 CG GLU A 55 6.590 11.681 -4.713 1.00 0.00 C ATOM 817 CD GLU A 55 7.092 12.391 -5.987 1.00 0.00 C ATOM 818 OE1 GLU A 55 8.221 12.118 -6.363 1.00 0.00 O ATOM 819 OE2 GLU A 55 6.316 13.172 -6.515 1.00 0.00 O ATOM 0 H GLU A 55 6.717 13.464 -1.617 1.00 0.00 H new ATOM 0 HA GLU A 55 5.984 10.886 -2.458 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.371 13.212 -3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.473 11.876 -3.665 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.662 10.600 -4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.538 11.914 -4.546 1.00 0.00 H new ATOM 826 N LYS A 56 9.017 10.861 -1.230 1.00 0.00 N ATOM 827 CA LYS A 56 10.077 9.980 -0.655 1.00 0.00 C ATOM 828 C LYS A 56 9.464 8.953 0.324 1.00 0.00 C ATOM 829 O LYS A 56 9.869 7.807 0.348 1.00 0.00 O ATOM 830 CB LYS A 56 11.109 10.881 0.061 1.00 0.00 C ATOM 831 CG LYS A 56 12.401 10.083 0.333 1.00 0.00 C ATOM 832 CD LYS A 56 13.471 11.029 0.920 1.00 0.00 C ATOM 833 CE LYS A 56 14.806 10.277 1.067 1.00 0.00 C ATOM 834 NZ LYS A 56 15.308 9.857 -0.274 1.00 0.00 N ATOM 0 H LYS A 56 9.262 11.851 -1.237 1.00 0.00 H new ATOM 0 HA LYS A 56 10.566 9.414 -1.448 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.332 11.753 -0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.694 11.250 0.999 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.199 9.268 1.028 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.765 9.632 -0.590 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.600 11.895 0.270 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.145 11.404 1.890 1.00 0.00 H new ATOM 0 HE2 LYS A 56 15.541 10.917 1.555 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.672 9.403 1.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 16.329 9.665 -0.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.810 8.996 -0.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.136 10.617 -0.963 1.00 0.00 H new ATOM 848 N LYS A 57 8.493 9.400 1.090 1.00 0.00 N ATOM 849 CA LYS A 57 7.824 8.488 2.080 1.00 0.00 C ATOM 850 C LYS A 57 7.119 7.406 1.276 1.00 0.00 C ATOM 851 O LYS A 57 7.404 6.234 1.425 1.00 0.00 O ATOM 852 CB LYS A 57 6.785 9.278 2.931 1.00 0.00 C ATOM 853 CG LYS A 57 7.411 9.882 4.201 1.00 0.00 C ATOM 854 CD LYS A 57 7.522 8.774 5.272 1.00 0.00 C ATOM 855 CE LYS A 57 8.011 9.377 6.598 1.00 0.00 C ATOM 856 NZ LYS A 57 7.952 8.343 7.669 1.00 0.00 N ATOM 0 H LYS A 57 8.135 10.355 1.073 1.00 0.00 H new ATOM 0 HA LYS A 57 8.556 8.058 2.764 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.354 10.076 2.326 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.968 8.614 3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.396 10.293 3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.798 10.705 4.570 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.553 8.296 5.415 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.213 8.000 4.937 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.032 9.743 6.488 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.393 10.233 6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.283 8.753 8.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.972 8.014 7.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.560 7.540 7.410 1.00 0.00 H new ATOM 870 N ALA A 58 6.209 7.841 0.439 1.00 0.00 N ATOM 871 CA ALA A 58 5.442 6.882 -0.419 1.00 0.00 C ATOM 872 C ALA A 58 6.384 5.835 -1.017 1.00 0.00 C ATOM 873 O ALA A 58 6.161 4.652 -0.885 1.00 0.00 O ATOM 874 CB ALA A 58 4.751 7.633 -1.552 1.00 0.00 C ATOM 0 H ALA A 58 5.963 8.823 0.312 1.00 0.00 H new ATOM 0 HA ALA A 58 4.696 6.386 0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.196 6.928 -2.171 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.064 8.369 -1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.499 8.140 -2.162 1.00 0.00 H new ATOM 880 N ALA A 59 7.413 6.332 -1.658 1.00 0.00 N ATOM 881 CA ALA A 59 8.446 5.465 -2.305 1.00 0.00 C ATOM 882 C ALA A 59 8.894 4.387 -1.308 1.00 0.00 C ATOM 883 O ALA A 59 8.714 3.216 -1.563 1.00 0.00 O ATOM 884 CB ALA A 59 9.641 6.343 -2.730 1.00 0.00 C ATOM 0 H ALA A 59 7.584 7.332 -1.762 1.00 0.00 H new ATOM 0 HA ALA A 59 8.034 4.976 -3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.400 5.720 -3.203 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.302 7.101 -3.436 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.066 6.829 -1.852 1.00 0.00 H new ATOM 890 N LYS A 60 9.466 4.814 -0.205 1.00 0.00 N ATOM 891 CA LYS A 60 9.955 3.894 0.870 1.00 0.00 C ATOM 892 C LYS A 60 8.952 2.755 1.134 1.00 0.00 C ATOM 893 O LYS A 60 9.326 1.602 1.211 1.00 0.00 O ATOM 894 CB LYS A 60 10.182 4.735 2.147 1.00 0.00 C ATOM 895 CG LYS A 60 11.089 3.967 3.129 1.00 0.00 C ATOM 896 CD LYS A 60 11.306 4.837 4.390 1.00 0.00 C ATOM 897 CE LYS A 60 12.449 4.249 5.232 1.00 0.00 C ATOM 898 NZ LYS A 60 13.722 4.332 4.458 1.00 0.00 N ATOM 0 H LYS A 60 9.618 5.802 -0.001 1.00 0.00 H new ATOM 0 HA LYS A 60 10.887 3.424 0.557 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.639 5.690 1.887 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.226 4.958 2.620 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.631 3.016 3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.045 3.738 2.659 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.543 5.861 4.101 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.390 4.876 4.979 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.544 4.796 6.170 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.232 3.212 5.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.527 4.366 5.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.811 3.497 3.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.717 5.192 3.873 1.00 0.00 H new ATOM 912 N LEU A 61 7.698 3.108 1.268 1.00 0.00 N ATOM 913 CA LEU A 61 6.642 2.069 1.526 1.00 0.00 C ATOM 914 C LEU A 61 6.475 1.176 0.290 1.00 0.00 C ATOM 915 O LEU A 61 6.571 -0.028 0.396 1.00 0.00 O ATOM 916 CB LEU A 61 5.330 2.786 1.861 1.00 0.00 C ATOM 917 CG LEU A 61 5.609 3.844 2.960 1.00 0.00 C ATOM 918 CD1 LEU A 61 4.313 4.576 3.285 1.00 0.00 C ATOM 919 CD2 LEU A 61 6.240 3.199 4.224 1.00 0.00 C ATOM 0 H LEU A 61 7.356 4.067 1.211 1.00 0.00 H new ATOM 0 HA LEU A 61 6.932 1.433 2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.923 3.265 0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.585 2.069 2.207 1.00 0.00 H new ATOM 0 HG LEU A 61 6.338 4.564 2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.500 5.322 4.057 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.939 5.069 2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.572 3.862 3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.422 3.969 4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.558 2.452 4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.183 2.722 3.957 1.00 0.00 H new ATOM 931 N LYS A 62 6.216 1.778 -0.843 1.00 0.00 N ATOM 932 CA LYS A 62 6.040 1.022 -2.134 1.00 0.00 C ATOM 933 C LYS A 62 7.147 -0.065 -2.188 1.00 0.00 C ATOM 934 O LYS A 62 6.915 -1.238 -2.402 1.00 0.00 O ATOM 935 CB LYS A 62 6.189 2.025 -3.304 1.00 0.00 C ATOM 936 CG LYS A 62 5.553 1.476 -4.598 1.00 0.00 C ATOM 937 CD LYS A 62 4.005 1.515 -4.468 1.00 0.00 C ATOM 938 CE LYS A 62 3.347 1.081 -5.790 1.00 0.00 C ATOM 939 NZ LYS A 62 3.730 2.008 -6.895 1.00 0.00 N ATOM 0 H LYS A 62 6.115 2.789 -0.935 1.00 0.00 H new ATOM 0 HA LYS A 62 5.061 0.547 -2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.717 2.971 -3.037 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.245 2.233 -3.475 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.872 2.070 -5.454 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.889 0.454 -4.776 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.684 0.856 -3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.680 2.522 -4.206 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.652 0.065 -6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.263 1.069 -5.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.063 1.899 -7.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.702 2.989 -6.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.692 1.782 -7.220 1.00 0.00 H new ATOM 953 N GLU A 63 8.342 0.422 -1.975 1.00 0.00 N ATOM 954 CA GLU A 63 9.591 -0.388 -1.959 1.00 0.00 C ATOM 955 C GLU A 63 9.468 -1.491 -0.897 1.00 0.00 C ATOM 956 O GLU A 63 9.742 -2.641 -1.172 1.00 0.00 O ATOM 957 CB GLU A 63 10.762 0.591 -1.651 1.00 0.00 C ATOM 958 CG GLU A 63 12.125 -0.118 -1.482 1.00 0.00 C ATOM 959 CD GLU A 63 13.185 0.943 -1.108 1.00 0.00 C ATOM 960 OE1 GLU A 63 13.479 1.749 -1.977 1.00 0.00 O ATOM 961 OE2 GLU A 63 13.637 0.892 0.024 1.00 0.00 O ATOM 0 H GLU A 63 8.507 1.413 -1.801 1.00 0.00 H new ATOM 0 HA GLU A 63 9.772 -0.882 -2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.838 1.321 -2.457 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.533 1.145 -0.740 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.062 -0.881 -0.706 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.406 -0.625 -2.405 1.00 0.00 H new ATOM 968 N LYS A 64 9.055 -1.116 0.290 1.00 0.00 N ATOM 969 CA LYS A 64 8.909 -2.115 1.390 1.00 0.00 C ATOM 970 C LYS A 64 8.054 -3.284 0.906 1.00 0.00 C ATOM 971 O LYS A 64 8.438 -4.429 1.028 1.00 0.00 O ATOM 972 CB LYS A 64 8.277 -1.389 2.593 1.00 0.00 C ATOM 973 CG LYS A 64 8.049 -2.361 3.762 1.00 0.00 C ATOM 974 CD LYS A 64 7.539 -1.592 5.006 1.00 0.00 C ATOM 975 CE LYS A 64 8.653 -0.756 5.685 1.00 0.00 C ATOM 976 NZ LYS A 64 8.944 0.500 4.933 1.00 0.00 N ATOM 0 H LYS A 64 8.813 -0.158 0.543 1.00 0.00 H new ATOM 0 HA LYS A 64 9.872 -2.529 1.691 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.926 -0.574 2.913 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.328 -0.942 2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.325 -3.123 3.475 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.978 -2.878 4.001 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.723 -0.932 4.712 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.132 -2.302 5.726 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.351 -0.508 6.703 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.562 -1.354 5.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.016 1.295 5.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.842 0.397 4.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.177 0.685 4.255 1.00 0.00 H new ATOM 990 N TYR A 65 6.915 -2.946 0.359 1.00 0.00 N ATOM 991 CA TYR A 65 5.970 -3.969 -0.166 1.00 0.00 C ATOM 992 C TYR A 65 6.776 -4.890 -1.061 1.00 0.00 C ATOM 993 O TYR A 65 6.907 -6.062 -0.790 1.00 0.00 O ATOM 994 CB TYR A 65 4.832 -3.171 -0.898 1.00 0.00 C ATOM 995 CG TYR A 65 4.124 -3.823 -2.127 1.00 0.00 C ATOM 996 CD1 TYR A 65 4.325 -5.116 -2.596 1.00 0.00 C ATOM 997 CD2 TYR A 65 3.241 -3.025 -2.831 1.00 0.00 C ATOM 998 CE1 TYR A 65 3.681 -5.574 -3.720 1.00 0.00 C ATOM 999 CE2 TYR A 65 2.594 -3.488 -3.953 1.00 0.00 C ATOM 1000 CZ TYR A 65 2.811 -4.765 -4.411 1.00 0.00 C ATOM 1001 OH TYR A 65 2.162 -5.213 -5.542 1.00 0.00 O ATOM 0 H TYR A 65 6.596 -1.983 0.253 1.00 0.00 H new ATOM 0 HA TYR A 65 5.497 -4.599 0.587 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.064 -2.940 -0.160 1.00 0.00 H new ATOM 0 HB3 TYR A 65 5.254 -2.221 -1.226 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.000 -5.773 -2.067 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.055 -2.016 -2.493 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.861 -6.582 -4.065 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.908 -2.841 -4.480 1.00 0.00 H new ATOM 0 HH TYR A 65 1.587 -4.501 -5.893 1.00 0.00 H new ATOM 1011 N GLU A 66 7.295 -4.316 -2.104 1.00 0.00 N ATOM 1012 CA GLU A 66 8.120 -5.064 -3.095 1.00 0.00 C ATOM 1013 C GLU A 66 9.143 -6.032 -2.481 1.00 0.00 C ATOM 1014 O GLU A 66 9.476 -7.026 -3.089 1.00 0.00 O ATOM 1015 CB GLU A 66 8.853 -4.066 -3.943 1.00 0.00 C ATOM 1016 CG GLU A 66 7.854 -3.156 -4.692 1.00 0.00 C ATOM 1017 CD GLU A 66 7.452 -3.817 -6.021 1.00 0.00 C ATOM 1018 OE1 GLU A 66 8.307 -3.856 -6.892 1.00 0.00 O ATOM 1019 OE2 GLU A 66 6.312 -4.250 -6.089 1.00 0.00 O ATOM 0 H GLU A 66 7.179 -3.326 -2.320 1.00 0.00 H new ATOM 0 HA GLU A 66 7.429 -5.681 -3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.508 -3.460 -3.317 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.489 -4.586 -4.660 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.970 -2.985 -4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.305 -2.182 -4.880 1.00 0.00 H new ATOM 1026 N LYS A 67 9.604 -5.713 -1.299 1.00 0.00 N ATOM 1027 CA LYS A 67 10.614 -6.571 -0.602 1.00 0.00 C ATOM 1028 C LYS A 67 9.986 -7.672 0.239 1.00 0.00 C ATOM 1029 O LYS A 67 10.548 -8.730 0.437 1.00 0.00 O ATOM 1030 CB LYS A 67 11.491 -5.663 0.283 1.00 0.00 C ATOM 1031 CG LYS A 67 12.731 -5.204 -0.503 1.00 0.00 C ATOM 1032 CD LYS A 67 12.377 -4.424 -1.792 1.00 0.00 C ATOM 1033 CE LYS A 67 13.674 -4.062 -2.532 1.00 0.00 C ATOM 1034 NZ LYS A 67 13.359 -3.371 -3.816 1.00 0.00 N ATOM 0 H LYS A 67 9.320 -4.883 -0.779 1.00 0.00 H new ATOM 0 HA LYS A 67 11.210 -7.075 -1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.917 -4.797 0.611 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.797 -6.201 1.180 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.348 -4.574 0.138 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.331 -6.075 -0.766 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.734 -5.028 -2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.821 -3.520 -1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.291 -3.418 -1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.253 -4.964 -2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.244 -3.131 -4.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.788 -3.999 -4.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.825 -2.500 -3.620 1.00 0.00 H new ATOM 1048 N ASP A 68 8.817 -7.355 0.693 1.00 0.00 N ATOM 1049 CA ASP A 68 8.010 -8.262 1.533 1.00 0.00 C ATOM 1050 C ASP A 68 7.440 -9.307 0.613 1.00 0.00 C ATOM 1051 O ASP A 68 7.240 -10.429 1.027 1.00 0.00 O ATOM 1052 CB ASP A 68 6.865 -7.513 2.173 1.00 0.00 C ATOM 1053 CG ASP A 68 7.293 -6.689 3.401 1.00 0.00 C ATOM 1054 OD1 ASP A 68 8.198 -5.883 3.260 1.00 0.00 O ATOM 1055 OD2 ASP A 68 6.674 -6.918 4.430 1.00 0.00 O ATOM 0 H ASP A 68 8.368 -6.459 0.505 1.00 0.00 H new ATOM 0 HA ASP A 68 8.625 -8.695 2.322 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.416 -6.848 1.435 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.095 -8.224 2.471 1.00 0.00 H new ATOM 1060 N ILE A 69 7.202 -8.899 -0.609 1.00 0.00 N ATOM 1061 CA ILE A 69 6.636 -9.870 -1.569 1.00 0.00 C ATOM 1062 C ILE A 69 7.815 -10.626 -2.158 1.00 0.00 C ATOM 1063 O ILE A 69 7.782 -11.825 -2.322 1.00 0.00 O ATOM 1064 CB ILE A 69 5.825 -9.091 -2.639 1.00 0.00 C ATOM 1065 CG1 ILE A 69 5.323 -10.026 -3.729 1.00 0.00 C ATOM 1066 CG2 ILE A 69 6.661 -8.054 -3.350 1.00 0.00 C ATOM 1067 CD1 ILE A 69 4.672 -11.252 -3.113 1.00 0.00 C ATOM 0 H ILE A 69 7.372 -7.960 -0.968 1.00 0.00 H new ATOM 0 HA ILE A 69 5.951 -10.582 -1.109 1.00 0.00 H new ATOM 0 HB ILE A 69 5.007 -8.620 -2.093 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.606 -9.505 -4.363 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.152 -10.329 -4.368 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.048 -7.537 -4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.041 -7.334 -2.625 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.498 -8.542 -3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.317 -11.912 -3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.401 -11.781 -2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.830 -10.944 -2.493 1.00 0.00 H new ATOM 1079 N ALA A 70 8.838 -9.886 -2.457 1.00 0.00 N ATOM 1080 CA ALA A 70 10.074 -10.490 -3.033 1.00 0.00 C ATOM 1081 C ALA A 70 10.554 -11.590 -2.083 1.00 0.00 C ATOM 1082 O ALA A 70 11.138 -12.559 -2.519 1.00 0.00 O ATOM 1083 CB ALA A 70 11.173 -9.433 -3.172 1.00 0.00 C ATOM 0 H ALA A 70 8.876 -8.875 -2.327 1.00 0.00 H new ATOM 0 HA ALA A 70 9.856 -10.896 -4.021 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.067 -9.891 -3.594 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.829 -8.635 -3.830 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.406 -9.019 -2.191 1.00 0.00 H new ATOM 1089 N ALA A 71 10.274 -11.394 -0.815 1.00 0.00 N ATOM 1090 CA ALA A 71 10.677 -12.375 0.231 1.00 0.00 C ATOM 1091 C ALA A 71 9.572 -13.428 0.328 1.00 0.00 C ATOM 1092 O ALA A 71 9.827 -14.613 0.426 1.00 0.00 O ATOM 1093 CB ALA A 71 10.839 -11.657 1.570 1.00 0.00 C ATOM 0 H ALA A 71 9.774 -10.579 -0.460 1.00 0.00 H new ATOM 0 HA ALA A 71 11.627 -12.846 -0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 71 11.134 -12.376 2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.606 -10.888 1.480 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.893 -11.195 1.852 1.00 0.00 H new ATOM 1099 N TYR A 72 8.353 -12.958 0.300 1.00 0.00 N ATOM 1100 CA TYR A 72 7.181 -13.879 0.381 1.00 0.00 C ATOM 1101 C TYR A 72 7.319 -14.983 -0.673 1.00 0.00 C ATOM 1102 O TYR A 72 7.021 -16.129 -0.424 1.00 0.00 O ATOM 1103 CB TYR A 72 5.932 -13.061 0.140 1.00 0.00 C ATOM 1104 CG TYR A 72 4.656 -13.905 0.160 1.00 0.00 C ATOM 1105 CD1 TYR A 72 4.240 -14.579 -0.972 1.00 0.00 C ATOM 1106 CD2 TYR A 72 3.905 -13.998 1.310 1.00 0.00 C ATOM 1107 CE1 TYR A 72 3.088 -15.333 -0.950 1.00 0.00 C ATOM 1108 CE2 TYR A 72 2.754 -14.751 1.333 1.00 0.00 C ATOM 1109 CZ TYR A 72 2.334 -15.426 0.205 1.00 0.00 C ATOM 1110 OH TYR A 72 1.176 -16.178 0.238 1.00 0.00 O ATOM 0 H TYR A 72 8.117 -11.969 0.224 1.00 0.00 H new ATOM 0 HA TYR A 72 7.127 -14.354 1.360 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.860 -12.284 0.901 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.014 -12.557 -0.823 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.822 -14.514 -1.880 1.00 0.00 H new ATOM 0 HD2 TYR A 72 4.222 -13.476 2.201 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.771 -15.855 -1.841 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.174 -14.814 2.242 1.00 0.00 H new ATOM 0 HH TYR A 72 0.779 -16.128 1.133 1.00 0.00 H new ATOM 1120 N ARG A 73 7.784 -14.600 -1.829 1.00 0.00 N ATOM 1121 CA ARG A 73 7.957 -15.585 -2.924 1.00 0.00 C ATOM 1122 C ARG A 73 9.323 -16.213 -2.824 1.00 0.00 C ATOM 1123 O ARG A 73 9.513 -17.326 -3.268 1.00 0.00 O ATOM 1124 CB ARG A 73 7.812 -14.885 -4.280 1.00 0.00 C ATOM 1125 CG ARG A 73 6.410 -14.259 -4.401 1.00 0.00 C ATOM 1126 CD ARG A 73 6.139 -13.855 -5.862 1.00 0.00 C ATOM 1127 NE ARG A 73 7.289 -13.056 -6.384 1.00 0.00 N ATOM 1128 CZ ARG A 73 7.973 -13.513 -7.399 1.00 0.00 C ATOM 1129 NH1 ARG A 73 7.501 -13.352 -8.604 1.00 0.00 N ATOM 1130 NH2 ARG A 73 9.106 -14.119 -7.171 1.00 0.00 N ATOM 0 H ARG A 73 8.052 -13.643 -2.060 1.00 0.00 H new ATOM 0 HA ARG A 73 7.194 -16.358 -2.836 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.574 -14.113 -4.384 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.971 -15.600 -5.087 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.655 -14.970 -4.065 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.335 -13.385 -3.753 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.994 -14.745 -6.475 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.220 -13.272 -5.924 1.00 0.00 H new ATOM 0 HE ARG A 73 7.537 -12.165 -5.953 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.610 -12.875 -8.743 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.023 -13.703 -9.407 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.442 -14.229 -6.214 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.655 -14.483 -7.950 1.00 0.00 H new ATOM 1144 N ALA A 74 10.237 -15.479 -2.246 1.00 0.00 N ATOM 1145 CA ALA A 74 11.616 -16.029 -2.100 1.00 0.00 C ATOM 1146 C ALA A 74 11.540 -17.392 -1.388 1.00 0.00 C ATOM 1147 O ALA A 74 12.169 -18.350 -1.794 1.00 0.00 O ATOM 1148 CB ALA A 74 12.480 -15.086 -1.262 1.00 0.00 C ATOM 0 H ALA A 74 10.093 -14.540 -1.875 1.00 0.00 H new ATOM 0 HA ALA A 74 12.059 -16.138 -3.090 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.483 -15.501 -1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.536 -14.113 -1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.038 -14.970 -0.273 1.00 0.00 H new ATOM 1154 N LYS A 75 10.755 -17.409 -0.335 1.00 0.00 N ATOM 1155 CA LYS A 75 10.572 -18.654 0.476 1.00 0.00 C ATOM 1156 C LYS A 75 9.206 -18.776 1.188 1.00 0.00 C ATOM 1157 O LYS A 75 8.766 -19.883 1.440 1.00 0.00 O ATOM 1158 CB LYS A 75 11.740 -18.702 1.500 1.00 0.00 C ATOM 1159 CG LYS A 75 11.581 -19.872 2.502 1.00 0.00 C ATOM 1160 CD LYS A 75 12.840 -19.957 3.401 1.00 0.00 C ATOM 1161 CE LYS A 75 12.460 -20.523 4.781 1.00 0.00 C ATOM 1162 NZ LYS A 75 11.818 -21.862 4.656 1.00 0.00 N ATOM 0 H LYS A 75 10.228 -16.603 -0.000 1.00 0.00 H new ATOM 0 HA LYS A 75 10.584 -19.505 -0.205 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.686 -18.806 0.968 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.783 -17.760 2.046 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.693 -19.721 3.115 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.441 -20.809 1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.591 -20.593 2.932 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.285 -18.968 3.514 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.352 -20.601 5.403 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.779 -19.836 5.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.758 -22.307 5.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.862 -21.753 4.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.386 -22.462 4.024 1.00 0.00 H new ATOM 1176 N GLY A 76 8.574 -17.666 1.491 1.00 0.00 N ATOM 1177 CA GLY A 76 7.245 -17.708 2.191 1.00 0.00 C ATOM 1178 C GLY A 76 6.065 -17.979 1.246 1.00 0.00 C ATOM 1179 O GLY A 76 5.171 -17.169 1.100 1.00 0.00 O ATOM 0 H GLY A 76 8.921 -16.729 1.284 1.00 0.00 H new ATOM 0 HA2 GLY A 76 7.271 -18.482 2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.081 -16.759 2.701 1.00 0.00 H new ATOM 1183 N LYS A 77 6.121 -19.140 0.649 1.00 0.00 N ATOM 1184 CA LYS A 77 5.087 -19.617 -0.315 1.00 0.00 C ATOM 1185 C LYS A 77 4.205 -20.674 0.388 1.00 0.00 C ATOM 1186 O LYS A 77 4.528 -21.076 1.489 1.00 0.00 O ATOM 1187 CB LYS A 77 5.805 -20.247 -1.529 1.00 0.00 C ATOM 1188 CG LYS A 77 6.917 -19.306 -2.048 1.00 0.00 C ATOM 1189 CD LYS A 77 7.592 -19.916 -3.303 1.00 0.00 C ATOM 1190 CE LYS A 77 6.671 -19.772 -4.530 1.00 0.00 C ATOM 1191 NZ LYS A 77 7.353 -20.318 -5.741 1.00 0.00 N ATOM 0 H LYS A 77 6.878 -19.807 0.799 1.00 0.00 H new ATOM 0 HA LYS A 77 4.459 -18.792 -0.652 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.236 -21.207 -1.246 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.085 -20.442 -2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.494 -18.331 -2.291 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.661 -19.145 -1.268 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.542 -19.416 -3.492 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.815 -20.969 -3.129 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.735 -20.303 -4.358 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.418 -18.723 -4.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.728 -20.219 -6.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.235 -19.793 -5.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.572 -21.324 -5.592 1.00 0.00 H new ATOM 1205 N PRO A 78 3.130 -21.111 -0.241 1.00 0.00 N ATOM 1206 CA PRO A 78 2.166 -22.068 0.381 1.00 0.00 C ATOM 1207 C PRO A 78 2.680 -23.523 0.433 1.00 0.00 C ATOM 1208 O PRO A 78 1.902 -24.455 0.352 1.00 0.00 O ATOM 1209 CB PRO A 78 0.887 -21.917 -0.478 1.00 0.00 C ATOM 1210 CG PRO A 78 1.158 -20.662 -1.358 1.00 0.00 C ATOM 1211 CD PRO A 78 2.668 -20.723 -1.600 1.00 0.00 C ATOM 0 HA PRO A 78 1.996 -21.839 1.433 1.00 0.00 H new ATOM 0 HB2 PRO A 78 0.713 -22.802 -1.090 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.003 -21.782 0.145 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.599 -20.698 -2.293 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.869 -19.743 -0.848 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.939 -21.457 -2.358 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.078 -19.766 -1.922 1.00 0.00 H new ATOM 1219 N ASP A 79 3.975 -23.672 0.567 1.00 0.00 N ATOM 1220 CA ASP A 79 4.606 -25.028 0.638 1.00 0.00 C ATOM 1221 C ASP A 79 5.614 -25.110 1.785 1.00 0.00 C ATOM 1222 O ASP A 79 6.095 -26.171 2.135 1.00 0.00 O ATOM 1223 CB ASP A 79 5.286 -25.312 -0.726 1.00 0.00 C ATOM 1224 CG ASP A 79 5.962 -26.697 -0.716 1.00 0.00 C ATOM 1225 OD1 ASP A 79 5.228 -27.664 -0.599 1.00 0.00 O ATOM 1226 OD2 ASP A 79 7.177 -26.711 -0.823 1.00 0.00 O ATOM 0 H ASP A 79 4.634 -22.896 0.631 1.00 0.00 H new ATOM 0 HA ASP A 79 3.844 -25.781 0.838 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.545 -25.269 -1.524 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.027 -24.541 -0.937 1.00 0.00 H new ATOM 1231 N ALA A 80 5.881 -23.956 2.321 1.00 0.00 N ATOM 1232 CA ALA A 80 6.840 -23.788 3.451 1.00 0.00 C ATOM 1233 C ALA A 80 6.127 -23.129 4.641 1.00 0.00 C ATOM 1234 O ALA A 80 6.048 -21.919 4.732 1.00 0.00 O ATOM 1235 CB ALA A 80 8.014 -22.920 2.960 1.00 0.00 C ATOM 0 H ALA A 80 5.456 -23.083 2.009 1.00 0.00 H new ATOM 0 HA ALA A 80 7.219 -24.755 3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.729 -22.783 3.771 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.506 -23.414 2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 80 7.639 -21.948 2.640 1.00 0.00 H new ATOM 1241 N ALA A 81 5.630 -23.961 5.522 1.00 0.00 N ATOM 1242 CA ALA A 81 4.908 -23.456 6.731 1.00 0.00 C ATOM 1243 C ALA A 81 5.917 -22.871 7.742 1.00 0.00 C ATOM 1244 O ALA A 81 5.723 -21.716 8.086 1.00 0.00 O ATOM 1245 CB ALA A 81 4.133 -24.622 7.375 1.00 0.00 C ATOM 1246 OXT ALA A 81 6.820 -23.606 8.111 1.00 0.00 O ATOM 0 H ALA A 81 5.694 -24.977 5.455 1.00 0.00 H new ATOM 0 HA ALA A 81 4.212 -22.670 6.440 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.603 -24.263 8.258 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.415 -25.022 6.658 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.831 -25.407 7.665 1.00 0.00 H new TER 1252 ALA A 81 HETATM 1253 C1 BME A 82 -8.618 10.703 0.842 1.00 0.00 C HETATM 1254 C2 BME A 82 -7.448 11.242 1.676 1.00 0.00 C HETATM 1255 O1 BME A 82 -8.431 11.284 -0.442 1.00 0.00 O HETATM 1256 S2 BME A 82 -5.774 10.928 1.068 1.00 0.00 S HETATM 0 HO1 BME A 82 -7.472 11.369 -0.626 1.00 0.00 H new HETATM 0 H22 BME A 82 -7.573 12.320 1.774 1.00 0.00 H new HETATM 0 H21 BME A 82 -7.527 10.820 2.678 1.00 0.00 H new HETATM 0 H12 BME A 82 -8.603 9.614 0.792 1.00 0.00 H new HETATM 0 H11 BME A 82 -9.578 10.989 1.272 1.00 0.00 H new