USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 934 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 97 HIS : no HD1:sc= -0.228 K(o=-0.49,f=-3.5!) USER MOD Set 1.2: A 99 SER OG : rot -100:sc= -0.265 USER MOD Set 2.1: A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 86 ASN : amide:sc= -0.215 K(o=-0.21,f=-2.2) USER MOD Set 3.1: A 45 GLN : amide:sc= 1.07 K(o=1.9,f=-4.3!) USER MOD Set 3.2: A 122 SER OG : rot 140:sc= 0.813 USER MOD Set 4.1: A 29 TYR OH : rot 123:sc= 0.179 USER MOD Set 4.2: A 102 GLN : amide:sc=-0.00466 X(o=0.17,f=-0.17) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.13 (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 45:sc= 0.124 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -101:sc= 1.25 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00319 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl 179:sc= -0.553 (180deg=-0.562) USER MOD Single : A 33 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.43) USER MOD Single : A 34 HIS : no HD1:sc= -0.902 K(o=-0.9,f=-1.8!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -163:sc= -0.0139 (180deg=-0.117) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.226 F(o=-0.83,f=-0.23) USER MOD Single : A 57 THR OG1 : rot 62:sc= 1.33 USER MOD Single : A 61 SER OG : rot -176:sc= -0.207 USER MOD Single : A 67 HIS : no HD1:sc= 0.907 K(o=0.91,f=-7!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 72 THR OG1 : rot 87:sc= 1.2 USER MOD Single : A 74 SER OG : rot 89:sc= 1.28 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 83:sc= 0.119 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0.0208 USER MOD Single : A 95 SER OG : rot 69:sc= 0.815 USER MOD Single : A 104 SER OG : rot 67:sc= 0.485 USER MOD Single : A 105 GLN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 107 THR OG1 : rot 6:sc= 0.519 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.215 6.812 -22.034 1.00 0.00 N ATOM 2 CA GLY A 1 6.813 7.382 -20.820 1.00 0.00 C ATOM 3 C GLY A 1 6.176 8.720 -20.484 1.00 0.00 C ATOM 4 O GLY A 1 5.245 9.158 -21.164 1.00 0.00 O ATOM 0 H1 GLY A 1 5.831 5.869 -21.822 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.449 7.431 -22.367 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.941 6.731 -22.774 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.683 6.692 -19.986 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.886 7.510 -20.963 1.00 0.00 H new ATOM 8 N SER A 2 6.679 9.390 -19.447 1.00 0.00 N ATOM 9 CA SER A 2 6.045 10.549 -18.829 1.00 0.00 C ATOM 10 C SER A 2 7.046 11.684 -18.585 1.00 0.00 C ATOM 11 O SER A 2 8.261 11.515 -18.740 1.00 0.00 O ATOM 12 CB SER A 2 5.406 10.080 -17.517 1.00 0.00 C ATOM 13 OG SER A 2 4.473 9.052 -17.795 1.00 0.00 O ATOM 0 H SER A 2 7.561 9.133 -19.004 1.00 0.00 H new ATOM 0 HA SER A 2 5.287 10.956 -19.498 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.174 9.716 -16.834 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.909 10.914 -17.022 1.00 0.00 H new ATOM 0 HG SER A 2 4.063 8.748 -16.959 1.00 0.00 H new ATOM 19 N SER A 3 6.541 12.838 -18.162 1.00 0.00 N ATOM 20 CA SER A 3 7.301 13.994 -17.705 1.00 0.00 C ATOM 21 C SER A 3 6.588 14.603 -16.493 1.00 0.00 C ATOM 22 O SER A 3 5.439 14.240 -16.225 1.00 0.00 O ATOM 23 CB SER A 3 7.404 15.003 -18.849 1.00 0.00 C ATOM 24 OG SER A 3 8.038 14.476 -20.004 1.00 0.00 O ATOM 0 H SER A 3 5.535 13.000 -18.127 1.00 0.00 H new ATOM 0 HA SER A 3 8.309 13.705 -17.408 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.404 15.344 -19.115 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.958 15.877 -18.505 1.00 0.00 H new ATOM 0 HG SER A 3 8.073 15.164 -20.701 1.00 0.00 H new ATOM 30 N GLY A 4 7.229 15.546 -15.795 1.00 0.00 N ATOM 31 CA GLY A 4 6.632 16.395 -14.766 1.00 0.00 C ATOM 32 C GLY A 4 6.025 15.609 -13.605 1.00 0.00 C ATOM 33 O GLY A 4 4.854 15.232 -13.667 1.00 0.00 O ATOM 0 H GLY A 4 8.219 15.745 -15.940 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.393 17.072 -14.378 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.858 17.013 -15.220 1.00 0.00 H new ATOM 37 N SER A 5 6.805 15.347 -12.551 1.00 0.00 N ATOM 38 CA SER A 5 6.305 14.691 -11.341 1.00 0.00 C ATOM 39 C SER A 5 5.105 15.476 -10.794 1.00 0.00 C ATOM 40 O SER A 5 4.024 14.915 -10.612 1.00 0.00 O ATOM 41 CB SER A 5 7.436 14.551 -10.309 1.00 0.00 C ATOM 42 OG SER A 5 7.049 13.747 -9.210 1.00 0.00 O ATOM 0 H SER A 5 7.797 15.583 -12.514 1.00 0.00 H new ATOM 0 HA SER A 5 5.962 13.683 -11.575 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.313 14.115 -10.788 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.726 15.539 -9.952 1.00 0.00 H new ATOM 0 HG SER A 5 7.793 13.679 -8.576 1.00 0.00 H new ATOM 48 N SER A 6 5.244 16.794 -10.620 1.00 0.00 N ATOM 49 CA SER A 6 4.248 17.690 -10.042 1.00 0.00 C ATOM 50 C SER A 6 3.652 17.142 -8.740 1.00 0.00 C ATOM 51 O SER A 6 2.468 16.804 -8.664 1.00 0.00 O ATOM 52 CB SER A 6 3.215 18.099 -11.099 1.00 0.00 C ATOM 53 OG SER A 6 2.649 17.020 -11.829 1.00 0.00 O ATOM 0 H SER A 6 6.096 17.284 -10.893 1.00 0.00 H new ATOM 0 HA SER A 6 4.744 18.610 -9.734 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.411 18.648 -10.608 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.687 18.786 -11.801 1.00 0.00 H new ATOM 0 HG SER A 6 2.412 16.296 -11.212 1.00 0.00 H new ATOM 59 N GLY A 7 4.487 17.027 -7.706 1.00 0.00 N ATOM 60 CA GLY A 7 4.008 16.768 -6.356 1.00 0.00 C ATOM 61 C GLY A 7 3.334 18.025 -5.826 1.00 0.00 C ATOM 62 O GLY A 7 3.765 19.136 -6.150 1.00 0.00 O ATOM 0 H GLY A 7 5.501 17.110 -7.783 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.305 15.935 -6.358 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.838 16.483 -5.709 1.00 0.00 H new ATOM 66 N THR A 8 2.312 17.864 -4.991 1.00 0.00 N ATOM 67 CA THR A 8 1.523 18.979 -4.489 1.00 0.00 C ATOM 68 C THR A 8 2.328 19.874 -3.535 1.00 0.00 C ATOM 69 O THR A 8 2.155 21.093 -3.593 1.00 0.00 O ATOM 70 CB THR A 8 0.222 18.410 -3.898 1.00 0.00 C ATOM 71 OG1 THR A 8 -0.510 17.806 -4.956 1.00 0.00 O ATOM 72 CG2 THR A 8 -0.686 19.418 -3.192 1.00 0.00 C ATOM 0 H THR A 8 2.009 16.954 -4.644 1.00 0.00 H new ATOM 0 HA THR A 8 1.253 19.657 -5.298 1.00 0.00 H new ATOM 0 HB THR A 8 0.528 17.708 -3.122 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.345 17.433 -4.605 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.572 18.908 -2.815 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.148 19.872 -2.360 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.986 20.193 -3.897 1.00 0.00 H new ATOM 80 N VAL A 9 3.235 19.296 -2.733 1.00 0.00 N ATOM 81 CA VAL A 9 4.210 19.979 -1.873 1.00 0.00 C ATOM 82 C VAL A 9 3.578 21.201 -1.183 1.00 0.00 C ATOM 83 O VAL A 9 3.889 22.352 -1.493 1.00 0.00 O ATOM 84 CB VAL A 9 5.492 20.300 -2.683 1.00 0.00 C ATOM 85 CG1 VAL A 9 6.615 20.875 -1.804 1.00 0.00 C ATOM 86 CG2 VAL A 9 6.074 19.051 -3.377 1.00 0.00 C ATOM 0 H VAL A 9 3.311 18.281 -2.664 1.00 0.00 H new ATOM 0 HA VAL A 9 4.515 19.319 -1.061 1.00 0.00 H new ATOM 0 HB VAL A 9 5.171 21.036 -3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.490 21.082 -2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.274 21.798 -1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.878 20.153 -1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.971 19.328 -3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.328 18.303 -2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.335 18.639 -4.064 1.00 0.00 H new ATOM 96 N ALA A 10 2.644 20.949 -0.266 1.00 0.00 N ATOM 97 CA ALA A 10 1.855 21.981 0.384 1.00 0.00 C ATOM 98 C ALA A 10 1.840 21.733 1.891 1.00 0.00 C ATOM 99 O ALA A 10 2.515 22.444 2.641 1.00 0.00 O ATOM 100 CB ALA A 10 0.456 22.007 -0.246 1.00 0.00 C ATOM 0 H ALA A 10 2.415 20.006 0.047 1.00 0.00 H new ATOM 0 HA ALA A 10 2.292 22.969 0.236 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.145 22.779 0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.540 22.224 -1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.022 21.037 -0.110 1.00 0.00 H new ATOM 106 N SER A 11 1.102 20.718 2.341 1.00 0.00 N ATOM 107 CA SER A 11 0.889 20.410 3.750 1.00 0.00 C ATOM 108 C SER A 11 2.137 19.777 4.388 1.00 0.00 C ATOM 109 O SER A 11 3.153 19.567 3.714 1.00 0.00 O ATOM 110 CB SER A 11 -0.344 19.507 3.861 1.00 0.00 C ATOM 111 OG SER A 11 -0.901 19.600 5.155 1.00 0.00 O ATOM 0 H SER A 11 0.623 20.070 1.715 1.00 0.00 H new ATOM 0 HA SER A 11 0.711 21.329 4.308 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.085 19.798 3.116 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.068 18.474 3.649 1.00 0.00 H new ATOM 0 HG SER A 11 -1.689 19.020 5.214 1.00 0.00 H new ATOM 117 N ARG A 12 2.095 19.500 5.701 1.00 0.00 N ATOM 118 CA ARG A 12 3.178 18.797 6.392 1.00 0.00 C ATOM 119 C ARG A 12 2.661 17.863 7.485 1.00 0.00 C ATOM 120 O ARG A 12 2.758 16.649 7.302 1.00 0.00 O ATOM 121 CB ARG A 12 4.269 19.766 6.899 1.00 0.00 C ATOM 122 CG ARG A 12 5.687 19.235 6.629 1.00 0.00 C ATOM 123 CD ARG A 12 5.961 17.850 7.233 1.00 0.00 C ATOM 124 NE ARG A 12 7.281 17.336 6.844 1.00 0.00 N ATOM 125 CZ ARG A 12 7.657 16.052 6.892 1.00 0.00 C ATOM 126 NH1 ARG A 12 6.855 15.106 7.368 1.00 0.00 N ATOM 127 NH2 ARG A 12 8.856 15.696 6.463 1.00 0.00 N ATOM 0 H ARG A 12 1.315 19.756 6.306 1.00 0.00 H new ATOM 0 HA ARG A 12 3.658 18.156 5.653 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.147 20.734 6.414 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.141 19.927 7.969 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.847 19.188 5.552 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.412 19.944 7.029 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.900 17.909 8.320 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.189 17.153 6.908 1.00 0.00 H new ATOM 0 HE ARG A 12 7.967 18.013 6.510 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.925 15.350 7.709 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.169 14.136 7.392 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.496 16.400 6.095 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.141 14.717 6.500 1.00 0.00 H new ATOM 141 N LEU A 13 2.154 18.347 8.621 1.00 0.00 N ATOM 142 CA LEU A 13 1.709 17.500 9.732 1.00 0.00 C ATOM 143 C LEU A 13 0.537 18.139 10.463 1.00 0.00 C ATOM 144 O LEU A 13 0.513 19.351 10.673 1.00 0.00 O ATOM 145 CB LEU A 13 2.885 17.148 10.667 1.00 0.00 C ATOM 146 CG LEU A 13 3.095 18.047 11.904 1.00 0.00 C ATOM 147 CD1 LEU A 13 2.240 17.598 13.092 1.00 0.00 C ATOM 148 CD2 LEU A 13 4.543 17.945 12.363 1.00 0.00 C ATOM 0 H LEU A 13 2.040 19.345 8.798 1.00 0.00 H new ATOM 0 HA LEU A 13 1.346 16.555 9.328 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.747 16.124 11.013 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.802 17.164 10.078 1.00 0.00 H new ATOM 0 HG LEU A 13 2.820 19.059 11.608 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.420 18.259 13.940 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.186 17.638 12.818 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.505 16.577 13.365 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.693 18.579 13.237 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.771 16.911 12.622 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.203 18.272 11.560 1.00 0.00 H new ATOM 160 N SER A 14 -0.383 17.301 10.937 1.00 0.00 N ATOM 161 CA SER A 14 -1.436 17.703 11.851 1.00 0.00 C ATOM 162 C SER A 14 -1.655 16.617 12.903 1.00 0.00 C ATOM 163 O SER A 14 -1.558 16.889 14.098 1.00 0.00 O ATOM 164 CB SER A 14 -2.688 18.024 11.012 1.00 0.00 C ATOM 165 OG SER A 14 -3.874 18.209 11.767 1.00 0.00 O ATOM 0 H SER A 14 -0.413 16.312 10.690 1.00 0.00 H new ATOM 0 HA SER A 14 -1.171 18.600 12.410 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.498 18.927 10.431 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.849 17.215 10.300 1.00 0.00 H new ATOM 0 HG SER A 14 -4.417 17.394 11.728 1.00 0.00 H new ATOM 171 N ASP A 15 -1.950 15.381 12.491 1.00 0.00 N ATOM 172 CA ASP A 15 -2.527 14.374 13.388 1.00 0.00 C ATOM 173 C ASP A 15 -1.631 13.152 13.469 1.00 0.00 C ATOM 174 O ASP A 15 -0.813 12.934 12.573 1.00 0.00 O ATOM 175 CB ASP A 15 -3.925 13.980 12.915 1.00 0.00 C ATOM 176 CG ASP A 15 -4.902 15.122 13.152 1.00 0.00 C ATOM 177 OD1 ASP A 15 -5.421 15.237 14.281 1.00 0.00 O ATOM 178 OD2 ASP A 15 -5.097 15.940 12.220 1.00 0.00 O ATOM 0 H ASP A 15 -1.798 15.052 11.538 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.606 14.807 14.385 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.900 13.727 11.855 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.259 13.090 13.447 1.00 0.00 H new ATOM 183 N THR A 16 -1.791 12.335 14.511 1.00 0.00 N ATOM 184 CA THR A 16 -1.095 11.060 14.657 1.00 0.00 C ATOM 185 C THR A 16 -1.464 10.130 13.502 1.00 0.00 C ATOM 186 O THR A 16 -0.568 9.615 12.830 1.00 0.00 O ATOM 187 CB THR A 16 -1.449 10.436 16.015 1.00 0.00 C ATOM 188 OG1 THR A 16 -1.283 11.408 17.030 1.00 0.00 O ATOM 189 CG2 THR A 16 -0.603 9.212 16.366 1.00 0.00 C ATOM 0 H THR A 16 -2.418 12.545 15.288 1.00 0.00 H new ATOM 0 HA THR A 16 -0.017 11.221 14.625 1.00 0.00 H new ATOM 0 HB THR A 16 -2.483 10.100 15.943 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.509 11.015 17.899 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.909 8.825 17.338 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.745 8.442 15.608 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.449 9.495 16.403 1.00 0.00 H new ATOM 197 N LYS A 17 -2.772 9.944 13.255 1.00 0.00 N ATOM 198 CA LYS A 17 -3.249 9.085 12.177 1.00 0.00 C ATOM 199 C LYS A 17 -2.683 9.587 10.854 1.00 0.00 C ATOM 200 O LYS A 17 -1.916 8.881 10.195 1.00 0.00 O ATOM 201 CB LYS A 17 -4.786 9.122 12.135 1.00 0.00 C ATOM 202 CG LYS A 17 -5.466 8.181 13.136 1.00 0.00 C ATOM 203 CD LYS A 17 -5.293 6.698 12.773 1.00 0.00 C ATOM 204 CE LYS A 17 -6.536 5.863 13.104 1.00 0.00 C ATOM 205 NZ LYS A 17 -6.754 5.685 14.552 1.00 0.00 N ATOM 0 H LYS A 17 -3.516 10.384 13.796 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.921 8.059 12.347 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.119 10.142 12.329 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.117 8.864 11.129 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.055 8.357 14.130 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.529 8.417 13.184 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.074 6.611 11.709 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.434 6.294 13.309 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.413 6.342 12.668 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.442 4.883 12.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.608 5.113 14.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.933 5.202 14.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.874 6.615 15.002 1.00 0.00 H new ATOM 219 N ALA A 18 -2.888 10.876 10.571 1.00 0.00 N ATOM 220 CA ALA A 18 -2.502 11.432 9.292 1.00 0.00 C ATOM 221 C ALA A 18 -0.989 11.361 9.089 1.00 0.00 C ATOM 222 O ALA A 18 -0.580 10.981 8.006 1.00 0.00 O ATOM 223 CB ALA A 18 -3.040 12.854 9.139 1.00 0.00 C ATOM 0 H ALA A 18 -3.317 11.543 11.213 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.951 10.827 8.504 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.739 13.255 8.171 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.128 12.840 9.204 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.637 13.483 9.933 1.00 0.00 H new ATOM 229 N ALA A 19 -0.146 11.662 10.082 1.00 0.00 N ATOM 230 CA ALA A 19 1.307 11.548 9.922 1.00 0.00 C ATOM 231 C ALA A 19 1.770 10.097 9.707 1.00 0.00 C ATOM 232 O ALA A 19 2.871 9.864 9.208 1.00 0.00 O ATOM 233 CB ALA A 19 2.010 12.148 11.140 1.00 0.00 C ATOM 0 H ALA A 19 -0.444 11.985 11.002 1.00 0.00 H new ATOM 0 HA ALA A 19 1.577 12.103 9.024 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.089 12.061 11.017 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.739 13.200 11.235 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.703 11.612 12.038 1.00 0.00 H new ATOM 239 N GLY A 20 0.957 9.105 10.067 1.00 0.00 N ATOM 240 CA GLY A 20 1.199 7.717 9.719 1.00 0.00 C ATOM 241 C GLY A 20 0.835 7.462 8.261 1.00 0.00 C ATOM 242 O GLY A 20 1.643 6.940 7.492 1.00 0.00 O ATOM 0 H GLY A 20 0.107 9.249 10.612 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.248 7.471 9.887 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.611 7.066 10.366 1.00 0.00 H new ATOM 246 N GLU A 21 -0.396 7.816 7.890 1.00 0.00 N ATOM 247 CA GLU A 21 -0.944 7.582 6.560 1.00 0.00 C ATOM 248 C GLU A 21 -0.142 8.348 5.496 1.00 0.00 C ATOM 249 O GLU A 21 0.345 7.746 4.541 1.00 0.00 O ATOM 250 CB GLU A 21 -2.444 7.934 6.546 1.00 0.00 C ATOM 251 CG GLU A 21 -3.321 6.860 7.230 1.00 0.00 C ATOM 252 CD GLU A 21 -3.821 7.210 8.639 1.00 0.00 C ATOM 253 OE1 GLU A 21 -4.629 8.158 8.767 1.00 0.00 O ATOM 254 OE2 GLU A 21 -3.413 6.505 9.602 1.00 0.00 O ATOM 0 H GLU A 21 -1.050 8.282 8.520 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.854 6.525 6.308 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.592 8.890 7.048 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.773 8.061 5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.185 6.664 6.595 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.751 5.933 7.286 1.00 0.00 H new ATOM 261 N VAL A 22 0.063 9.654 5.687 1.00 0.00 N ATOM 262 CA VAL A 22 0.812 10.548 4.806 1.00 0.00 C ATOM 263 C VAL A 22 2.221 10.023 4.585 1.00 0.00 C ATOM 264 O VAL A 22 2.641 9.956 3.437 1.00 0.00 O ATOM 265 CB VAL A 22 0.842 11.981 5.383 1.00 0.00 C ATOM 266 CG1 VAL A 22 1.799 12.923 4.634 1.00 0.00 C ATOM 267 CG2 VAL A 22 -0.561 12.601 5.348 1.00 0.00 C ATOM 0 H VAL A 22 -0.309 10.139 6.503 1.00 0.00 H new ATOM 0 HA VAL A 22 0.307 10.582 3.840 1.00 0.00 H new ATOM 0 HB VAL A 22 1.203 11.878 6.406 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.769 13.911 5.092 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.814 12.528 4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.493 12.998 3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.523 13.610 5.758 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.916 12.641 4.318 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.242 11.993 5.943 1.00 0.00 H new ATOM 277 N LYS A 23 2.958 9.644 5.638 1.00 0.00 N ATOM 278 CA LYS A 23 4.333 9.176 5.466 1.00 0.00 C ATOM 279 C LYS A 23 4.363 8.035 4.465 1.00 0.00 C ATOM 280 O LYS A 23 5.181 8.042 3.549 1.00 0.00 O ATOM 281 CB LYS A 23 4.926 8.750 6.816 1.00 0.00 C ATOM 282 CG LYS A 23 6.445 8.497 6.755 1.00 0.00 C ATOM 283 CD LYS A 23 6.877 7.064 6.386 1.00 0.00 C ATOM 284 CE LYS A 23 6.566 6.076 7.518 1.00 0.00 C ATOM 285 NZ LYS A 23 6.899 4.683 7.153 1.00 0.00 N ATOM 0 H LYS A 23 2.628 9.653 6.603 1.00 0.00 H new ATOM 0 HA LYS A 23 4.946 9.990 5.078 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.722 9.524 7.556 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.426 7.843 7.156 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.879 9.184 6.029 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.874 8.746 7.726 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.364 6.751 5.477 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.945 7.049 6.171 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.126 6.360 8.409 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.508 6.140 7.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.672 4.052 7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.346 4.401 6.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.914 4.614 6.935 1.00 0.00 H new ATOM 299 N ALA A 24 3.478 7.062 4.665 1.00 0.00 N ATOM 300 CA ALA A 24 3.361 5.914 3.792 1.00 0.00 C ATOM 301 C ALA A 24 2.944 6.317 2.375 1.00 0.00 C ATOM 302 O ALA A 24 3.518 5.800 1.423 1.00 0.00 O ATOM 303 CB ALA A 24 2.409 4.896 4.415 1.00 0.00 C ATOM 0 H ALA A 24 2.821 7.055 5.445 1.00 0.00 H new ATOM 0 HA ALA A 24 4.340 5.446 3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.320 4.031 3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.798 4.578 5.382 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.428 5.351 4.550 1.00 0.00 H new ATOM 309 N LEU A 25 1.990 7.240 2.218 1.00 0.00 N ATOM 310 CA LEU A 25 1.584 7.752 0.910 1.00 0.00 C ATOM 311 C LEU A 25 2.781 8.352 0.168 1.00 0.00 C ATOM 312 O LEU A 25 2.978 8.068 -1.012 1.00 0.00 O ATOM 313 CB LEU A 25 0.513 8.841 1.069 1.00 0.00 C ATOM 314 CG LEU A 25 -0.031 9.326 -0.288 1.00 0.00 C ATOM 315 CD1 LEU A 25 -1.369 8.698 -0.627 1.00 0.00 C ATOM 316 CD2 LEU A 25 -0.232 10.829 -0.232 1.00 0.00 C ATOM 0 H LEU A 25 1.478 7.653 2.998 1.00 0.00 H new ATOM 0 HA LEU A 25 1.181 6.916 0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.309 8.454 1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.935 9.686 1.612 1.00 0.00 H new ATOM 0 HG LEU A 25 0.694 9.039 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.712 9.071 -1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.261 7.614 -0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.098 8.957 0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.617 11.180 -1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.944 11.072 0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.721 11.316 -0.023 1.00 0.00 H new ATOM 328 N ASP A 26 3.534 9.207 0.860 1.00 0.00 N ATOM 329 CA ASP A 26 4.660 9.975 0.343 1.00 0.00 C ATOM 330 C ASP A 26 5.734 9.025 -0.143 1.00 0.00 C ATOM 331 O ASP A 26 6.181 9.107 -1.281 1.00 0.00 O ATOM 332 CB ASP A 26 5.258 10.831 1.467 1.00 0.00 C ATOM 333 CG ASP A 26 6.040 12.037 0.962 1.00 0.00 C ATOM 334 OD1 ASP A 26 7.019 11.885 0.202 1.00 0.00 O ATOM 335 OD2 ASP A 26 5.751 13.157 1.445 1.00 0.00 O ATOM 0 H ASP A 26 3.363 9.390 1.849 1.00 0.00 H new ATOM 0 HA ASP A 26 4.312 10.609 -0.472 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.454 11.176 2.117 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.916 10.210 2.075 1.00 0.00 H new ATOM 340 N ASP A 27 6.123 8.106 0.744 1.00 0.00 N ATOM 341 CA ASP A 27 7.247 7.206 0.547 1.00 0.00 C ATOM 342 C ASP A 27 6.922 6.251 -0.610 1.00 0.00 C ATOM 343 O ASP A 27 7.754 5.962 -1.474 1.00 0.00 O ATOM 344 CB ASP A 27 7.510 6.452 1.864 1.00 0.00 C ATOM 345 CG ASP A 27 8.919 5.880 2.037 1.00 0.00 C ATOM 346 OD1 ASP A 27 9.746 5.924 1.103 1.00 0.00 O ATOM 347 OD2 ASP A 27 9.195 5.439 3.182 1.00 0.00 O ATOM 0 H ASP A 27 5.650 7.969 1.637 1.00 0.00 H new ATOM 0 HA ASP A 27 8.152 7.753 0.284 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.309 7.129 2.694 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.795 5.633 1.940 1.00 0.00 H new ATOM 352 N PHE A 28 5.651 5.835 -0.676 1.00 0.00 N ATOM 353 CA PHE A 28 5.092 5.097 -1.790 1.00 0.00 C ATOM 354 C PHE A 28 5.224 5.902 -3.079 1.00 0.00 C ATOM 355 O PHE A 28 5.777 5.397 -4.056 1.00 0.00 O ATOM 356 CB PHE A 28 3.629 4.719 -1.515 1.00 0.00 C ATOM 357 CG PHE A 28 2.983 4.029 -2.693 1.00 0.00 C ATOM 358 CD1 PHE A 28 2.469 4.792 -3.757 1.00 0.00 C ATOM 359 CD2 PHE A 28 2.989 2.628 -2.779 1.00 0.00 C ATOM 360 CE1 PHE A 28 1.985 4.160 -4.903 1.00 0.00 C ATOM 361 CE2 PHE A 28 2.496 1.999 -3.934 1.00 0.00 C ATOM 362 CZ PHE A 28 1.996 2.763 -5.001 1.00 0.00 C ATOM 0 H PHE A 28 4.975 6.012 0.067 1.00 0.00 H new ATOM 0 HA PHE A 28 5.654 4.171 -1.911 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.583 4.065 -0.644 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.064 5.618 -1.269 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.449 5.870 -3.687 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.371 2.036 -1.960 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.599 4.752 -5.720 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.501 0.921 -4.002 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.623 2.277 -5.890 1.00 0.00 H new ATOM 372 N TYR A 29 4.684 7.125 -3.130 1.00 0.00 N ATOM 373 CA TYR A 29 4.733 7.920 -4.357 1.00 0.00 C ATOM 374 C TYR A 29 6.145 8.226 -4.815 1.00 0.00 C ATOM 375 O TYR A 29 6.398 8.320 -6.014 1.00 0.00 O ATOM 376 CB TYR A 29 4.022 9.246 -4.159 1.00 0.00 C ATOM 377 CG TYR A 29 2.569 9.150 -4.498 1.00 0.00 C ATOM 378 CD1 TYR A 29 2.171 8.600 -5.728 1.00 0.00 C ATOM 379 CD2 TYR A 29 1.631 9.674 -3.609 1.00 0.00 C ATOM 380 CE1 TYR A 29 0.832 8.659 -6.112 1.00 0.00 C ATOM 381 CE2 TYR A 29 0.279 9.729 -3.984 1.00 0.00 C ATOM 382 CZ TYR A 29 -0.125 9.248 -5.257 1.00 0.00 C ATOM 383 OH TYR A 29 -1.419 9.328 -5.674 1.00 0.00 O ATOM 0 H TYR A 29 4.215 7.579 -2.346 1.00 0.00 H new ATOM 0 HA TYR A 29 4.243 7.313 -5.118 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.134 9.568 -3.124 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.492 10.007 -4.782 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.900 8.133 -6.374 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.942 10.035 -2.640 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.526 8.253 -7.065 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.454 10.137 -3.304 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.000 8.876 -5.027 1.00 0.00 H new ATOM 393 N LYS A 30 7.054 8.376 -3.861 1.00 0.00 N ATOM 394 CA LYS A 30 8.482 8.459 -4.110 1.00 0.00 C ATOM 395 C LYS A 30 8.876 7.307 -5.032 1.00 0.00 C ATOM 396 O LYS A 30 9.354 7.558 -6.136 1.00 0.00 O ATOM 397 CB LYS A 30 9.253 8.440 -2.779 1.00 0.00 C ATOM 398 CG LYS A 30 10.305 9.552 -2.693 1.00 0.00 C ATOM 399 CD LYS A 30 11.418 9.186 -1.704 1.00 0.00 C ATOM 400 CE LYS A 30 12.489 8.358 -2.424 1.00 0.00 C ATOM 401 NZ LYS A 30 13.452 7.755 -1.488 1.00 0.00 N ATOM 0 H LYS A 30 6.811 8.445 -2.873 1.00 0.00 H new ATOM 0 HA LYS A 30 8.737 9.397 -4.603 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.549 8.546 -1.954 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.741 7.473 -2.659 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.734 9.727 -3.679 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.830 10.483 -2.382 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.861 10.091 -1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.006 8.620 -0.869 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.007 7.571 -3.004 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.022 8.994 -3.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.156 7.205 -2.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.932 8.506 -0.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.949 7.127 -0.829 1.00 0.00 H new ATOM 415 N MET A 31 8.643 6.058 -4.622 1.00 0.00 N ATOM 416 CA MET A 31 8.938 4.890 -5.444 1.00 0.00 C ATOM 417 C MET A 31 8.154 4.929 -6.747 1.00 0.00 C ATOM 418 O MET A 31 8.702 4.565 -7.776 1.00 0.00 O ATOM 419 CB MET A 31 8.540 3.613 -4.719 1.00 0.00 C ATOM 420 CG MET A 31 9.247 3.388 -3.401 1.00 0.00 C ATOM 421 SD MET A 31 10.849 2.567 -3.512 1.00 0.00 S ATOM 422 CE MET A 31 10.577 1.502 -2.082 1.00 0.00 C ATOM 0 H MET A 31 8.245 5.832 -3.711 1.00 0.00 H new ATOM 0 HA MET A 31 10.009 4.904 -5.645 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.465 3.633 -4.540 1.00 0.00 H new ATOM 0 HB3 MET A 31 8.739 2.763 -5.372 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.385 4.353 -2.913 1.00 0.00 H new ATOM 0 HG3 MET A 31 8.598 2.795 -2.757 1.00 0.00 H new ATOM 0 HE1 MET A 31 11.444 0.858 -1.938 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.430 2.116 -1.194 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.692 0.888 -2.249 1.00 0.00 H new ATOM 432 N LEU A 32 6.892 5.365 -6.727 1.00 0.00 N ATOM 433 CA LEU A 32 6.047 5.418 -7.918 1.00 0.00 C ATOM 434 C LEU A 32 6.655 6.310 -9.017 1.00 0.00 C ATOM 435 O LEU A 32 6.302 6.163 -10.188 1.00 0.00 O ATOM 436 CB LEU A 32 4.625 5.868 -7.526 1.00 0.00 C ATOM 437 CG LEU A 32 3.565 5.433 -8.550 1.00 0.00 C ATOM 438 CD1 LEU A 32 3.213 3.962 -8.352 1.00 0.00 C ATOM 439 CD2 LEU A 32 2.282 6.251 -8.411 1.00 0.00 C ATOM 0 H LEU A 32 6.428 5.692 -5.880 1.00 0.00 H new ATOM 0 HA LEU A 32 5.986 4.417 -8.345 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.373 5.454 -6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.606 6.953 -7.427 1.00 0.00 H new ATOM 0 HG LEU A 32 3.990 5.596 -9.540 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.461 3.666 -9.084 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.107 3.353 -8.484 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.819 3.814 -7.347 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.555 5.916 -9.151 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.871 6.115 -7.411 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.504 7.306 -8.572 1.00 0.00 H new ATOM 451 N GLN A 33 7.573 7.214 -8.662 1.00 0.00 N ATOM 452 CA GLN A 33 8.400 7.960 -9.597 1.00 0.00 C ATOM 453 C GLN A 33 9.771 7.300 -9.787 1.00 0.00 C ATOM 454 O GLN A 33 10.158 7.068 -10.930 1.00 0.00 O ATOM 455 CB GLN A 33 8.524 9.420 -9.132 1.00 0.00 C ATOM 456 CG GLN A 33 7.166 10.144 -9.086 1.00 0.00 C ATOM 457 CD GLN A 33 6.408 10.154 -10.417 1.00 0.00 C ATOM 458 OE1 GLN A 33 7.004 10.172 -11.494 1.00 0.00 O ATOM 459 NE2 GLN A 33 5.091 10.131 -10.384 1.00 0.00 N ATOM 0 H GLN A 33 7.762 7.449 -7.687 1.00 0.00 H new ATOM 0 HA GLN A 33 7.917 7.952 -10.574 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.978 9.445 -8.142 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.195 9.956 -9.804 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.541 9.670 -8.330 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.328 11.173 -8.766 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.603 10.116 -9.488 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.559 10.128 -11.254 1.00 0.00 H new ATOM 468 N HIS A 34 10.505 7.031 -8.700 1.00 0.00 N ATOM 469 CA HIS A 34 11.868 6.501 -8.732 1.00 0.00 C ATOM 470 C HIS A 34 11.913 5.108 -9.357 1.00 0.00 C ATOM 471 O HIS A 34 12.539 4.913 -10.395 1.00 0.00 O ATOM 472 CB HIS A 34 12.464 6.436 -7.314 1.00 0.00 C ATOM 473 CG HIS A 34 12.966 7.748 -6.773 1.00 0.00 C ATOM 474 ND1 HIS A 34 14.206 8.283 -7.019 1.00 0.00 N ATOM 475 CD2 HIS A 34 12.368 8.530 -5.825 1.00 0.00 C ATOM 476 CE1 HIS A 34 14.362 9.352 -6.227 1.00 0.00 C ATOM 477 NE2 HIS A 34 13.258 9.551 -5.484 1.00 0.00 N ATOM 0 H HIS A 34 10.157 7.180 -7.753 1.00 0.00 H new ATOM 0 HA HIS A 34 12.460 7.181 -9.345 1.00 0.00 H new ATOM 0 HB2 HIS A 34 11.705 6.047 -6.635 1.00 0.00 H new ATOM 0 HB3 HIS A 34 13.287 5.722 -7.315 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.381 8.384 -5.412 1.00 0.00 H new ATOM 0 HE1 HIS A 34 15.249 9.967 -6.190 1.00 0.00 H new ATOM 0 HE2 HIS A 34 13.102 10.298 -4.807 1.00 0.00 H new ATOM 485 N GLU A 35 11.309 4.126 -8.688 1.00 0.00 N ATOM 486 CA GLU A 35 11.394 2.727 -9.058 1.00 0.00 C ATOM 487 C GLU A 35 10.063 2.031 -8.749 1.00 0.00 C ATOM 488 O GLU A 35 9.937 1.361 -7.718 1.00 0.00 O ATOM 489 CB GLU A 35 12.637 2.072 -8.430 1.00 0.00 C ATOM 490 CG GLU A 35 12.880 2.228 -6.913 1.00 0.00 C ATOM 491 CD GLU A 35 14.387 2.210 -6.622 1.00 0.00 C ATOM 492 OE1 GLU A 35 15.081 1.279 -7.097 1.00 0.00 O ATOM 493 OE2 GLU A 35 14.865 3.027 -5.798 1.00 0.00 O ATOM 0 H GLU A 35 10.738 4.291 -7.859 1.00 0.00 H new ATOM 0 HA GLU A 35 11.542 2.621 -10.133 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.592 1.005 -8.648 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.513 2.466 -8.946 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.444 3.162 -6.560 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.386 1.421 -6.372 1.00 0.00 H new ATOM 500 N PRO A 36 9.052 2.166 -9.632 1.00 0.00 N ATOM 501 CA PRO A 36 7.723 1.596 -9.421 1.00 0.00 C ATOM 502 C PRO A 36 7.695 0.064 -9.320 1.00 0.00 C ATOM 503 O PRO A 36 6.665 -0.494 -8.941 1.00 0.00 O ATOM 504 CB PRO A 36 6.838 2.132 -10.552 1.00 0.00 C ATOM 505 CG PRO A 36 7.811 2.655 -11.604 1.00 0.00 C ATOM 506 CD PRO A 36 9.036 3.051 -10.791 1.00 0.00 C ATOM 0 HA PRO A 36 7.348 1.904 -8.445 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.201 1.347 -10.960 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.179 2.924 -10.196 1.00 0.00 H new ATOM 0 HG2 PRO A 36 8.050 1.891 -12.344 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.397 3.505 -12.146 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.947 2.940 -11.379 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.980 4.095 -10.484 1.00 0.00 H new ATOM 514 N ASP A 37 8.817 -0.624 -9.558 1.00 0.00 N ATOM 515 CA ASP A 37 8.995 -2.036 -9.207 1.00 0.00 C ATOM 516 C ASP A 37 8.729 -2.289 -7.722 1.00 0.00 C ATOM 517 O ASP A 37 8.408 -3.416 -7.346 1.00 0.00 O ATOM 518 CB ASP A 37 10.429 -2.520 -9.457 1.00 0.00 C ATOM 519 CG ASP A 37 10.919 -2.376 -10.885 1.00 0.00 C ATOM 520 OD1 ASP A 37 10.595 -3.259 -11.710 1.00 0.00 O ATOM 521 OD2 ASP A 37 11.684 -1.418 -11.147 1.00 0.00 O ATOM 0 H ASP A 37 9.636 -0.211 -10.005 1.00 0.00 H new ATOM 0 HA ASP A 37 8.285 -2.571 -9.838 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.102 -1.967 -8.801 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.496 -3.570 -9.171 1.00 0.00 H new ATOM 526 N ARG A 38 8.887 -1.268 -6.864 1.00 0.00 N ATOM 527 CA ARG A 38 8.678 -1.361 -5.425 1.00 0.00 C ATOM 528 C ARG A 38 7.394 -0.658 -4.986 1.00 0.00 C ATOM 529 O ARG A 38 7.227 -0.407 -3.792 1.00 0.00 O ATOM 530 CB ARG A 38 9.918 -0.841 -4.673 1.00 0.00 C ATOM 531 CG ARG A 38 11.167 -1.678 -5.012 1.00 0.00 C ATOM 532 CD ARG A 38 12.157 -1.831 -3.848 1.00 0.00 C ATOM 533 NE ARG A 38 13.025 -0.682 -3.586 1.00 0.00 N ATOM 534 CZ ARG A 38 14.000 -0.208 -4.360 1.00 0.00 C ATOM 535 NH1 ARG A 38 14.295 -0.776 -5.523 1.00 0.00 N ATOM 536 NH2 ARG A 38 14.679 0.861 -3.977 1.00 0.00 N ATOM 0 H ARG A 38 9.171 -0.336 -7.167 1.00 0.00 H new ATOM 0 HA ARG A 38 8.546 -2.412 -5.166 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.094 0.202 -4.935 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.735 -0.874 -3.599 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.849 -2.669 -5.337 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.682 -1.216 -5.854 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.591 -2.047 -2.942 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.787 -2.699 -4.045 1.00 0.00 H new ATOM 0 HE ARG A 38 12.865 -0.187 -2.709 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.771 -1.592 -5.840 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.046 -0.397 -6.100 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.455 1.318 -3.093 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.427 1.228 -4.566 1.00 0.00 H new ATOM 550 N ALA A 39 6.487 -0.317 -5.907 1.00 0.00 N ATOM 551 CA ALA A 39 5.274 0.430 -5.606 1.00 0.00 C ATOM 552 C ALA A 39 4.083 -0.257 -6.270 1.00 0.00 C ATOM 553 O ALA A 39 3.792 -0.024 -7.445 1.00 0.00 O ATOM 554 CB ALA A 39 5.462 1.881 -6.067 1.00 0.00 C ATOM 0 H ALA A 39 6.581 -0.558 -6.894 1.00 0.00 H new ATOM 0 HA ALA A 39 5.074 0.449 -4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.560 2.452 -5.847 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.308 2.323 -5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.651 1.900 -7.140 1.00 0.00 H new ATOM 560 N PHE A 40 3.411 -1.148 -5.542 1.00 0.00 N ATOM 561 CA PHE A 40 2.303 -1.937 -6.075 1.00 0.00 C ATOM 562 C PHE A 40 0.997 -1.217 -5.767 1.00 0.00 C ATOM 563 O PHE A 40 0.791 -0.798 -4.629 1.00 0.00 O ATOM 564 CB PHE A 40 2.316 -3.341 -5.454 1.00 0.00 C ATOM 565 CG PHE A 40 3.085 -4.360 -6.273 1.00 0.00 C ATOM 566 CD1 PHE A 40 4.193 -3.985 -7.048 1.00 0.00 C ATOM 567 CD2 PHE A 40 2.660 -5.699 -6.292 1.00 0.00 C ATOM 568 CE1 PHE A 40 4.821 -4.931 -7.860 1.00 0.00 C ATOM 569 CE2 PHE A 40 3.282 -6.667 -7.105 1.00 0.00 C ATOM 570 CZ PHE A 40 4.358 -6.258 -7.908 1.00 0.00 C ATOM 0 H PHE A 40 3.621 -1.343 -4.563 1.00 0.00 H new ATOM 0 HA PHE A 40 2.404 -2.046 -7.155 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.753 -3.284 -4.457 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.289 -3.685 -5.333 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.558 -2.969 -7.016 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.832 -5.995 -5.665 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.672 -4.640 -8.458 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.941 -7.692 -7.110 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.834 -6.968 -8.568 1.00 0.00 H new ATOM 580 N TYR A 41 0.105 -1.075 -6.745 1.00 0.00 N ATOM 581 CA TYR A 41 -1.249 -0.579 -6.533 1.00 0.00 C ATOM 582 C TYR A 41 -2.233 -1.372 -7.386 1.00 0.00 C ATOM 583 O TYR A 41 -1.818 -2.030 -8.335 1.00 0.00 O ATOM 584 CB TYR A 41 -1.319 0.922 -6.827 1.00 0.00 C ATOM 585 CG TYR A 41 -1.584 1.231 -8.287 1.00 0.00 C ATOM 586 CD1 TYR A 41 -0.556 1.156 -9.246 1.00 0.00 C ATOM 587 CD2 TYR A 41 -2.909 1.449 -8.697 1.00 0.00 C ATOM 588 CE1 TYR A 41 -0.868 1.243 -10.617 1.00 0.00 C ATOM 589 CE2 TYR A 41 -3.221 1.573 -10.054 1.00 0.00 C ATOM 590 CZ TYR A 41 -2.211 1.416 -11.024 1.00 0.00 C ATOM 591 OH TYR A 41 -2.577 1.376 -12.331 1.00 0.00 O ATOM 0 H TYR A 41 0.307 -1.305 -7.718 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.526 -0.719 -5.488 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.106 1.369 -6.219 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.381 1.389 -6.528 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.470 1.032 -8.931 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.693 1.521 -7.958 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.083 1.178 -11.356 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -4.234 1.789 -10.358 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.544 1.515 -12.404 1.00 0.00 H new ATOM 601 N GLY A 42 -3.528 -1.299 -7.088 1.00 0.00 N ATOM 602 CA GLY A 42 -4.491 -2.178 -7.731 1.00 0.00 C ATOM 603 C GLY A 42 -4.477 -3.487 -6.969 1.00 0.00 C ATOM 604 O GLY A 42 -3.420 -4.102 -6.816 1.00 0.00 O ATOM 0 H GLY A 42 -3.928 -0.647 -6.413 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.487 -1.735 -7.717 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.228 -2.338 -8.777 1.00 0.00 H new ATOM 608 N LEU A 43 -5.643 -3.908 -6.477 1.00 0.00 N ATOM 609 CA LEU A 43 -5.844 -5.106 -5.670 1.00 0.00 C ATOM 610 C LEU A 43 -5.019 -6.286 -6.184 1.00 0.00 C ATOM 611 O LEU A 43 -4.285 -6.894 -5.415 1.00 0.00 O ATOM 612 CB LEU A 43 -7.352 -5.388 -5.624 1.00 0.00 C ATOM 613 CG LEU A 43 -7.790 -6.682 -4.912 1.00 0.00 C ATOM 614 CD1 LEU A 43 -7.443 -6.732 -3.430 1.00 0.00 C ATOM 615 CD2 LEU A 43 -9.302 -6.811 -5.074 1.00 0.00 C ATOM 0 H LEU A 43 -6.511 -3.398 -6.639 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.483 -4.947 -4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.841 -4.547 -5.133 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.724 -5.420 -6.648 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.245 -7.505 -5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.787 -7.676 -3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.363 -6.651 -3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.930 -5.905 -2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.645 -7.720 -4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.791 -5.947 -4.624 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.552 -6.859 -6.134 1.00 0.00 H new ATOM 627 N LYS A 44 -5.046 -6.528 -7.494 1.00 0.00 N ATOM 628 CA LYS A 44 -4.332 -7.525 -8.238 1.00 0.00 C ATOM 629 C LYS A 44 -2.834 -7.430 -7.967 1.00 0.00 C ATOM 630 O LYS A 44 -2.229 -8.440 -7.624 1.00 0.00 O ATOM 631 CB LYS A 44 -4.725 -7.270 -9.694 1.00 0.00 C ATOM 632 CG LYS A 44 -3.835 -7.981 -10.682 1.00 0.00 C ATOM 633 CD LYS A 44 -4.012 -9.507 -10.698 1.00 0.00 C ATOM 634 CE LYS A 44 -2.782 -10.216 -10.147 1.00 0.00 C ATOM 635 NZ LYS A 44 -1.587 -10.066 -11.009 1.00 0.00 N ATOM 0 H LYS A 44 -5.633 -5.964 -8.109 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.584 -8.547 -7.955 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.756 -7.590 -9.847 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.692 -6.198 -9.890 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.035 -7.592 -11.680 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.795 -7.749 -10.451 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.886 -9.779 -10.106 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.200 -9.842 -11.718 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.558 -9.823 -9.155 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.005 -11.276 -10.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.880 -10.784 -10.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.859 -10.191 -12.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.181 -9.118 -10.877 1.00 0.00 H new ATOM 649 N GLN A 45 -2.208 -6.264 -8.177 1.00 0.00 N ATOM 650 CA GLN A 45 -0.766 -6.167 -7.999 1.00 0.00 C ATOM 651 C GLN A 45 -0.465 -6.556 -6.552 1.00 0.00 C ATOM 652 O GLN A 45 0.286 -7.487 -6.287 1.00 0.00 O ATOM 653 CB GLN A 45 -0.193 -4.768 -8.306 1.00 0.00 C ATOM 654 CG GLN A 45 -0.403 -4.247 -9.738 1.00 0.00 C ATOM 655 CD GLN A 45 0.385 -2.956 -10.037 1.00 0.00 C ATOM 656 OE1 GLN A 45 1.057 -2.358 -9.189 1.00 0.00 O ATOM 657 NE2 GLN A 45 0.342 -2.499 -11.273 1.00 0.00 N ATOM 0 H GLN A 45 -2.669 -5.400 -8.463 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.285 -6.835 -8.713 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.640 -4.055 -7.613 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.877 -4.784 -8.101 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.104 -5.020 -10.446 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.465 -4.062 -9.898 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.210 -2.987 -11.978 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.861 -1.658 -11.524 1.00 0.00 H new ATOM 666 N VAL A 46 -1.066 -5.851 -5.599 1.00 0.00 N ATOM 667 CA VAL A 46 -0.877 -6.035 -4.171 1.00 0.00 C ATOM 668 C VAL A 46 -1.053 -7.507 -3.755 1.00 0.00 C ATOM 669 O VAL A 46 -0.250 -8.004 -2.966 1.00 0.00 O ATOM 670 CB VAL A 46 -1.843 -5.101 -3.423 1.00 0.00 C ATOM 671 CG1 VAL A 46 -1.561 -5.130 -1.923 1.00 0.00 C ATOM 672 CG2 VAL A 46 -1.771 -3.631 -3.875 1.00 0.00 C ATOM 0 H VAL A 46 -1.726 -5.104 -5.814 1.00 0.00 H new ATOM 0 HA VAL A 46 0.147 -5.774 -3.905 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.837 -5.481 -3.657 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.254 -4.463 -1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.689 -6.145 -1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.538 -4.802 -1.739 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.482 -3.038 -3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.764 -3.249 -3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.016 -3.564 -4.935 1.00 0.00 H new ATOM 682 N GLU A 47 -2.050 -8.217 -4.289 1.00 0.00 N ATOM 683 CA GLU A 47 -2.287 -9.636 -4.030 1.00 0.00 C ATOM 684 C GLU A 47 -1.060 -10.483 -4.381 1.00 0.00 C ATOM 685 O GLU A 47 -0.787 -11.470 -3.697 1.00 0.00 O ATOM 686 CB GLU A 47 -3.522 -10.106 -4.820 1.00 0.00 C ATOM 687 CG GLU A 47 -4.831 -9.742 -4.107 1.00 0.00 C ATOM 688 CD GLU A 47 -6.085 -10.009 -4.948 1.00 0.00 C ATOM 689 OE1 GLU A 47 -6.053 -9.937 -6.200 1.00 0.00 O ATOM 690 OE2 GLU A 47 -7.156 -10.265 -4.354 1.00 0.00 O ATOM 0 H GLU A 47 -2.731 -7.809 -4.929 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.474 -9.766 -2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.512 -9.655 -5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.473 -11.186 -4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.899 -10.310 -3.179 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.805 -8.687 -3.834 1.00 0.00 H new ATOM 697 N LYS A 48 -0.295 -10.098 -5.406 1.00 0.00 N ATOM 698 CA LYS A 48 0.946 -10.755 -5.777 1.00 0.00 C ATOM 699 C LYS A 48 2.072 -10.346 -4.829 1.00 0.00 C ATOM 700 O LYS A 48 2.885 -11.185 -4.453 1.00 0.00 O ATOM 701 CB LYS A 48 1.254 -10.410 -7.248 1.00 0.00 C ATOM 702 CG LYS A 48 2.716 -10.595 -7.656 1.00 0.00 C ATOM 703 CD LYS A 48 3.138 -12.064 -7.605 1.00 0.00 C ATOM 704 CE LYS A 48 4.628 -12.240 -7.308 1.00 0.00 C ATOM 705 NZ LYS A 48 5.016 -13.660 -7.157 1.00 0.00 N ATOM 0 H LYS A 48 -0.531 -9.308 -6.006 1.00 0.00 H new ATOM 0 HA LYS A 48 0.852 -11.837 -5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.630 -11.031 -7.891 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.968 -9.374 -7.431 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.864 -10.209 -8.665 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.355 -10.010 -6.994 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.556 -12.579 -6.840 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.903 -12.539 -8.558 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.210 -11.792 -8.113 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.879 -11.700 -6.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.035 -13.722 -6.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.482 -14.084 -6.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.804 -14.173 -8.036 1.00 0.00 H new ATOM 719 N ALA A 49 2.179 -9.067 -4.465 1.00 0.00 N ATOM 720 CA ALA A 49 3.250 -8.624 -3.576 1.00 0.00 C ATOM 721 C ALA A 49 3.122 -9.224 -2.178 1.00 0.00 C ATOM 722 O ALA A 49 4.140 -9.458 -1.521 1.00 0.00 O ATOM 723 CB ALA A 49 3.265 -7.111 -3.465 1.00 0.00 C ATOM 0 H ALA A 49 1.544 -8.329 -4.769 1.00 0.00 H new ATOM 0 HA ALA A 49 4.184 -8.972 -4.016 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.070 -6.803 -2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.424 -6.675 -4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.311 -6.766 -3.066 1.00 0.00 H new ATOM 729 N ASN A 50 1.891 -9.462 -1.720 1.00 0.00 N ATOM 730 CA ASN A 50 1.640 -10.215 -0.503 1.00 0.00 C ATOM 731 C ASN A 50 2.288 -11.591 -0.637 1.00 0.00 C ATOM 732 O ASN A 50 3.078 -11.951 0.225 1.00 0.00 O ATOM 733 CB ASN A 50 0.136 -10.312 -0.225 1.00 0.00 C ATOM 734 CG ASN A 50 -0.170 -11.440 0.746 1.00 0.00 C ATOM 735 OD1 ASN A 50 -0.229 -11.179 2.034 1.00 0.00 O flip ATOM 736 ND2 ASN A 50 -0.394 -12.565 0.316 1.00 0.00 N flip ATOM 0 H ASN A 50 1.045 -9.136 -2.187 1.00 0.00 H new ATOM 0 HA ASN A 50 2.081 -9.702 0.352 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.223 -9.368 0.185 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.400 -10.477 -1.160 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.343 -12.747 -0.686 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.631 -13.319 0.960 1.00 0.00 H new ATOM 743 N GLU A 51 2.027 -12.322 -1.725 1.00 0.00 N ATOM 744 CA GLU A 51 2.617 -13.643 -1.942 1.00 0.00 C ATOM 745 C GLU A 51 4.142 -13.611 -2.018 1.00 0.00 C ATOM 746 O GLU A 51 4.798 -14.577 -1.636 1.00 0.00 O ATOM 747 CB GLU A 51 2.110 -14.249 -3.252 1.00 0.00 C ATOM 748 CG GLU A 51 0.692 -14.787 -3.154 1.00 0.00 C ATOM 749 CD GLU A 51 0.499 -15.866 -4.216 1.00 0.00 C ATOM 750 OE1 GLU A 51 0.909 -17.023 -3.979 1.00 0.00 O ATOM 751 OE2 GLU A 51 -0.028 -15.555 -5.309 1.00 0.00 O ATOM 0 H GLU A 51 1.406 -12.016 -2.474 1.00 0.00 H new ATOM 0 HA GLU A 51 2.318 -14.242 -1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.151 -13.492 -4.035 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.778 -15.056 -3.554 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.513 -15.199 -2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.028 -13.982 -3.300 1.00 0.00 H new ATOM 758 N ALA A 52 4.706 -12.512 -2.513 1.00 0.00 N ATOM 759 CA ALA A 52 6.149 -12.303 -2.593 1.00 0.00 C ATOM 760 C ALA A 52 6.748 -12.024 -1.213 1.00 0.00 C ATOM 761 O ALA A 52 7.970 -11.992 -1.066 1.00 0.00 O ATOM 762 CB ALA A 52 6.463 -11.151 -3.556 1.00 0.00 C ATOM 0 H ALA A 52 4.163 -11.728 -2.876 1.00 0.00 H new ATOM 0 HA ALA A 52 6.603 -13.218 -2.974 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.542 -11.004 -3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.081 -11.392 -4.548 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.989 -10.237 -3.197 1.00 0.00 H new ATOM 768 N MET A 53 5.898 -11.822 -0.202 1.00 0.00 N ATOM 769 CA MET A 53 6.227 -11.465 1.171 1.00 0.00 C ATOM 770 C MET A 53 6.931 -10.103 1.230 1.00 0.00 C ATOM 771 O MET A 53 7.678 -9.814 2.167 1.00 0.00 O ATOM 772 CB MET A 53 7.036 -12.589 1.851 1.00 0.00 C ATOM 773 CG MET A 53 6.427 -13.986 1.675 1.00 0.00 C ATOM 774 SD MET A 53 5.170 -14.406 2.890 1.00 0.00 S ATOM 775 CE MET A 53 4.082 -15.389 1.830 1.00 0.00 C ATOM 0 H MET A 53 4.891 -11.911 -0.337 1.00 0.00 H new ATOM 0 HA MET A 53 5.302 -11.360 1.737 1.00 0.00 H new ATOM 0 HB2 MET A 53 8.048 -12.591 1.446 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.119 -12.371 2.916 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.990 -14.056 0.679 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.226 -14.726 1.725 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.231 -15.744 2.411 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.726 -14.774 1.004 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.633 -16.243 1.435 1.00 0.00 H new ATOM 785 N ALA A 54 6.750 -9.283 0.193 1.00 0.00 N ATOM 786 CA ALA A 54 7.516 -8.074 -0.052 1.00 0.00 C ATOM 787 C ALA A 54 6.885 -6.850 0.591 1.00 0.00 C ATOM 788 O ALA A 54 7.556 -5.830 0.676 1.00 0.00 O ATOM 789 CB ALA A 54 7.574 -7.861 -1.570 1.00 0.00 C ATOM 0 H ALA A 54 6.040 -9.454 -0.520 1.00 0.00 H new ATOM 0 HA ALA A 54 8.508 -8.196 0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.144 -6.958 -1.789 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.057 -8.718 -2.039 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.562 -7.755 -1.961 1.00 0.00 H new ATOM 795 N ILE A 55 5.616 -6.904 0.995 1.00 0.00 N ATOM 796 CA ILE A 55 4.899 -5.729 1.464 1.00 0.00 C ATOM 797 C ILE A 55 5.472 -5.330 2.819 1.00 0.00 C ATOM 798 O ILE A 55 5.352 -6.082 3.791 1.00 0.00 O ATOM 799 CB ILE A 55 3.378 -5.991 1.468 1.00 0.00 C ATOM 800 CG1 ILE A 55 2.949 -6.064 -0.010 1.00 0.00 C ATOM 801 CG2 ILE A 55 2.614 -4.910 2.251 1.00 0.00 C ATOM 802 CD1 ILE A 55 1.461 -6.248 -0.279 1.00 0.00 C ATOM 0 H ILE A 55 5.063 -7.761 1.005 1.00 0.00 H new ATOM 0 HA ILE A 55 5.037 -4.882 0.791 1.00 0.00 H new ATOM 0 HB ILE A 55 3.140 -6.924 1.980 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.274 -5.149 -0.505 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.485 -6.889 -0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.547 -5.131 2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.961 -4.895 3.284 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.792 -3.936 1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.287 -6.284 -1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.122 -7.179 0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.908 -5.412 0.150 1.00 0.00 H new ATOM 814 N ASP A 56 6.111 -4.165 2.855 1.00 0.00 N ATOM 815 CA ASP A 56 6.546 -3.510 4.082 1.00 0.00 C ATOM 816 C ASP A 56 5.350 -2.796 4.706 1.00 0.00 C ATOM 817 O ASP A 56 5.007 -3.063 5.855 1.00 0.00 O ATOM 818 CB ASP A 56 7.677 -2.512 3.802 1.00 0.00 C ATOM 819 CG ASP A 56 7.887 -1.611 5.018 1.00 0.00 C ATOM 820 OD1 ASP A 56 8.579 -2.009 5.982 1.00 0.00 O ATOM 821 OD2 ASP A 56 7.295 -0.508 5.047 1.00 0.00 O ATOM 0 H ASP A 56 6.346 -3.639 2.013 1.00 0.00 H new ATOM 0 HA ASP A 56 6.933 -4.260 4.772 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.598 -3.048 3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.433 -1.908 2.928 1.00 0.00 H new ATOM 826 N THR A 57 4.691 -1.915 3.950 1.00 0.00 N ATOM 827 CA THR A 57 3.590 -1.089 4.425 1.00 0.00 C ATOM 828 C THR A 57 2.510 -1.068 3.344 1.00 0.00 C ATOM 829 O THR A 57 2.792 -0.805 2.178 1.00 0.00 O ATOM 830 CB THR A 57 4.114 0.315 4.780 1.00 0.00 C ATOM 831 OG1 THR A 57 4.997 0.246 5.881 1.00 0.00 O ATOM 832 CG2 THR A 57 3.002 1.261 5.227 1.00 0.00 C ATOM 0 H THR A 57 4.917 -1.756 2.968 1.00 0.00 H new ATOM 0 HA THR A 57 3.148 -1.495 5.335 1.00 0.00 H new ATOM 0 HB THR A 57 4.593 0.683 3.872 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.774 -0.303 5.644 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.427 2.236 5.465 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.272 1.369 4.425 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.511 0.854 6.111 1.00 0.00 H new ATOM 840 N LEU A 58 1.273 -1.364 3.735 1.00 0.00 N ATOM 841 CA LEU A 58 0.096 -1.505 2.887 1.00 0.00 C ATOM 842 C LEU A 58 -0.850 -0.340 3.163 1.00 0.00 C ATOM 843 O LEU A 58 -1.131 -0.073 4.325 1.00 0.00 O ATOM 844 CB LEU A 58 -0.537 -2.833 3.304 1.00 0.00 C ATOM 845 CG LEU A 58 -1.863 -3.222 2.641 1.00 0.00 C ATOM 846 CD1 LEU A 58 -1.608 -3.910 1.298 1.00 0.00 C ATOM 847 CD2 LEU A 58 -2.627 -4.154 3.586 1.00 0.00 C ATOM 0 H LEU A 58 1.054 -1.522 4.719 1.00 0.00 H new ATOM 0 HA LEU A 58 0.329 -1.497 1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.184 -3.626 3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.695 -2.807 4.382 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.456 -2.327 2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.560 -4.180 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.068 -3.231 0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.014 -4.810 1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.574 -4.440 3.128 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.032 -5.047 3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.820 -3.639 4.527 1.00 0.00 H new ATOM 859 N LEU A 59 -1.341 0.340 2.122 1.00 0.00 N ATOM 860 CA LEU A 59 -2.211 1.515 2.195 1.00 0.00 C ATOM 861 C LEU A 59 -3.563 1.142 1.590 1.00 0.00 C ATOM 862 O LEU A 59 -3.588 0.685 0.448 1.00 0.00 O ATOM 863 CB LEU A 59 -1.627 2.774 1.499 1.00 0.00 C ATOM 864 CG LEU A 59 -0.192 2.750 0.936 1.00 0.00 C ATOM 865 CD1 LEU A 59 0.109 4.025 0.129 1.00 0.00 C ATOM 866 CD2 LEU A 59 0.883 2.641 2.021 1.00 0.00 C ATOM 0 H LEU A 59 -1.132 0.072 1.160 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.311 1.792 3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.294 3.027 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.680 3.594 2.215 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.154 1.862 0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.128 3.980 -0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.590 4.102 -0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.003 4.897 0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.869 2.629 1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.809 3.496 2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.737 1.721 2.586 1.00 0.00 H new ATOM 878 N ILE A 60 -4.675 1.308 2.303 1.00 0.00 N ATOM 879 CA ILE A 60 -6.010 1.051 1.759 1.00 0.00 C ATOM 880 C ILE A 60 -6.958 2.124 2.284 1.00 0.00 C ATOM 881 O ILE A 60 -6.836 2.530 3.444 1.00 0.00 O ATOM 882 CB ILE A 60 -6.469 -0.383 2.119 1.00 0.00 C ATOM 883 CG1 ILE A 60 -7.691 -0.762 1.268 1.00 0.00 C ATOM 884 CG2 ILE A 60 -6.774 -0.580 3.616 1.00 0.00 C ATOM 885 CD1 ILE A 60 -8.129 -2.219 1.416 1.00 0.00 C ATOM 0 H ILE A 60 -4.678 1.624 3.273 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.003 1.105 0.670 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.632 -1.045 1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.524 -0.114 1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.465 -0.567 0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.089 -1.609 3.791 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.878 -0.371 4.200 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.571 0.100 3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.997 -2.404 0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.313 -2.876 1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.390 -2.417 2.456 1.00 0.00 H new ATOM 897 N SER A 61 -7.916 2.554 1.466 1.00 0.00 N ATOM 898 CA SER A 61 -9.000 3.392 1.940 1.00 0.00 C ATOM 899 C SER A 61 -9.885 2.570 2.866 1.00 0.00 C ATOM 900 O SER A 61 -10.239 1.428 2.542 1.00 0.00 O ATOM 901 CB SER A 61 -9.787 3.959 0.754 1.00 0.00 C ATOM 902 OG SER A 61 -10.229 5.254 1.118 1.00 0.00 O ATOM 0 H SER A 61 -7.958 2.332 0.471 1.00 0.00 H new ATOM 0 HA SER A 61 -8.606 4.241 2.499 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.160 4.004 -0.136 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.635 3.317 0.514 1.00 0.00 H new ATOM 0 HG SER A 61 -10.790 5.621 0.403 1.00 0.00 H new ATOM 908 N ASP A 62 -10.294 3.153 3.996 1.00 0.00 N ATOM 909 CA ASP A 62 -11.265 2.516 4.873 1.00 0.00 C ATOM 910 C ASP A 62 -12.526 2.155 4.079 1.00 0.00 C ATOM 911 O ASP A 62 -13.041 1.063 4.263 1.00 0.00 O ATOM 912 CB ASP A 62 -11.536 3.321 6.157 1.00 0.00 C ATOM 913 CG ASP A 62 -12.540 4.468 6.028 1.00 0.00 C ATOM 914 OD1 ASP A 62 -13.712 4.166 5.728 1.00 0.00 O ATOM 915 OD2 ASP A 62 -12.217 5.625 6.369 1.00 0.00 O ATOM 0 H ASP A 62 -9.966 4.063 4.320 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.839 1.583 5.242 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.895 2.635 6.924 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.590 3.730 6.512 1.00 0.00 H new ATOM 920 N GLU A 63 -12.958 2.953 3.098 1.00 0.00 N ATOM 921 CA GLU A 63 -14.160 2.662 2.313 1.00 0.00 C ATOM 922 C GLU A 63 -14.081 1.363 1.493 1.00 0.00 C ATOM 923 O GLU A 63 -15.111 0.878 1.025 1.00 0.00 O ATOM 924 CB GLU A 63 -14.486 3.840 1.384 1.00 0.00 C ATOM 925 CG GLU A 63 -13.389 4.143 0.359 1.00 0.00 C ATOM 926 CD GLU A 63 -13.699 5.350 -0.524 1.00 0.00 C ATOM 927 OE1 GLU A 63 -14.868 5.545 -0.931 1.00 0.00 O ATOM 928 OE2 GLU A 63 -12.770 6.151 -0.796 1.00 0.00 O ATOM 0 H GLU A 63 -12.486 3.816 2.827 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.958 2.515 3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.415 3.627 0.855 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.660 4.730 1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.450 4.318 0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.242 3.268 -0.274 1.00 0.00 H new ATOM 935 N LEU A 64 -12.885 0.805 1.295 1.00 0.00 N ATOM 936 CA LEU A 64 -12.671 -0.505 0.681 1.00 0.00 C ATOM 937 C LEU A 64 -12.560 -1.573 1.766 1.00 0.00 C ATOM 938 O LEU A 64 -13.156 -2.646 1.661 1.00 0.00 O ATOM 939 CB LEU A 64 -11.402 -0.493 -0.179 1.00 0.00 C ATOM 940 CG LEU A 64 -11.397 0.560 -1.300 1.00 0.00 C ATOM 941 CD1 LEU A 64 -10.106 0.412 -2.096 1.00 0.00 C ATOM 942 CD2 LEU A 64 -12.591 0.445 -2.253 1.00 0.00 C ATOM 0 H LEU A 64 -12.016 1.265 1.565 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.521 -0.735 0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.542 -0.319 0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.272 -1.479 -0.625 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.471 1.539 -0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.085 1.152 -2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.252 0.567 -1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.056 -0.589 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.522 1.219 -3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.584 -0.536 -2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.517 0.571 -1.692 1.00 0.00 H new ATOM 954 N PHE A 65 -11.864 -1.256 2.860 1.00 0.00 N ATOM 955 CA PHE A 65 -11.832 -2.063 4.075 1.00 0.00 C ATOM 956 C PHE A 65 -13.237 -2.402 4.594 1.00 0.00 C ATOM 957 O PHE A 65 -13.427 -3.447 5.224 1.00 0.00 O ATOM 958 CB PHE A 65 -11.083 -1.263 5.140 1.00 0.00 C ATOM 959 CG PHE A 65 -10.667 -2.015 6.373 1.00 0.00 C ATOM 960 CD1 PHE A 65 -9.874 -3.173 6.267 1.00 0.00 C ATOM 961 CD2 PHE A 65 -11.062 -1.525 7.633 1.00 0.00 C ATOM 962 CE1 PHE A 65 -9.502 -3.866 7.430 1.00 0.00 C ATOM 963 CE2 PHE A 65 -10.678 -2.219 8.795 1.00 0.00 C ATOM 964 CZ PHE A 65 -9.906 -3.393 8.692 1.00 0.00 C ATOM 0 H PHE A 65 -11.295 -0.412 2.924 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.338 -3.009 3.852 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.190 -0.837 4.682 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.713 -0.428 5.446 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.554 -3.526 5.298 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.654 -0.625 7.706 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.905 -4.763 7.356 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.975 -1.852 9.766 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.623 -3.932 9.584 1.00 0.00 H new ATOM 974 N ARG A 66 -14.216 -1.530 4.336 1.00 0.00 N ATOM 975 CA ARG A 66 -15.632 -1.682 4.580 1.00 0.00 C ATOM 976 C ARG A 66 -16.379 -1.392 3.266 1.00 0.00 C ATOM 977 O ARG A 66 -17.310 -0.590 3.233 1.00 0.00 O ATOM 978 CB ARG A 66 -16.061 -0.838 5.806 1.00 0.00 C ATOM 979 CG ARG A 66 -15.155 0.336 6.202 1.00 0.00 C ATOM 980 CD ARG A 66 -15.738 1.195 7.327 1.00 0.00 C ATOM 981 NE ARG A 66 -15.557 2.629 7.044 1.00 0.00 N ATOM 982 CZ ARG A 66 -16.310 3.669 7.417 1.00 0.00 C ATOM 983 NH1 ARG A 66 -17.392 3.522 8.167 1.00 0.00 N ATOM 984 NH2 ARG A 66 -15.955 4.880 7.019 1.00 0.00 N ATOM 0 H ARG A 66 -14.007 -0.625 3.915 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.897 -2.701 4.861 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -17.059 -0.444 5.612 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.143 -1.506 6.664 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -14.185 -0.051 6.515 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.981 0.963 5.328 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.799 0.975 7.445 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -15.254 0.943 8.270 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.739 2.863 6.482 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -17.674 2.593 8.479 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.943 4.338 8.433 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.124 5.004 6.441 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.513 5.690 7.290 1.00 0.00 H new ATOM 998 N HIS A 67 -15.977 -2.036 2.165 1.00 0.00 N ATOM 999 CA HIS A 67 -16.709 -1.964 0.897 1.00 0.00 C ATOM 1000 C HIS A 67 -18.150 -2.451 1.096 1.00 0.00 C ATOM 1001 O HIS A 67 -18.407 -3.318 1.936 1.00 0.00 O ATOM 1002 CB HIS A 67 -15.982 -2.783 -0.181 1.00 0.00 C ATOM 1003 CG HIS A 67 -16.518 -2.570 -1.575 1.00 0.00 C ATOM 1004 ND1 HIS A 67 -17.671 -3.160 -2.078 1.00 0.00 N ATOM 1005 CD2 HIS A 67 -15.937 -1.831 -2.563 1.00 0.00 C ATOM 1006 CE1 HIS A 67 -17.776 -2.768 -3.357 1.00 0.00 C ATOM 1007 NE2 HIS A 67 -16.747 -1.961 -3.672 1.00 0.00 N ATOM 0 H HIS A 67 -15.140 -2.618 2.128 1.00 0.00 H new ATOM 0 HA HIS A 67 -16.747 -0.928 0.559 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -14.923 -2.526 -0.166 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -16.057 -3.841 0.069 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -15.024 -1.258 -2.491 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -18.568 -3.057 -4.032 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -16.592 -1.520 -4.578 1.00 0.00 H new ATOM 1015 N GLN A 68 -19.084 -1.886 0.330 1.00 0.00 N ATOM 1016 CA GLN A 68 -20.506 -2.201 0.378 1.00 0.00 C ATOM 1017 C GLN A 68 -20.804 -3.672 0.046 1.00 0.00 C ATOM 1018 O GLN A 68 -21.673 -4.282 0.669 1.00 0.00 O ATOM 1019 CB GLN A 68 -21.268 -1.239 -0.553 1.00 0.00 C ATOM 1020 CG GLN A 68 -20.795 -1.261 -2.022 1.00 0.00 C ATOM 1021 CD GLN A 68 -21.560 -0.272 -2.897 1.00 0.00 C ATOM 1022 OE1 GLN A 68 -21.883 0.845 -2.495 1.00 0.00 O ATOM 1023 NE2 GLN A 68 -21.911 -0.666 -4.107 1.00 0.00 N ATOM 0 H GLN A 68 -18.860 -1.172 -0.364 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.851 -2.061 1.403 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -22.329 -1.488 -0.522 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -21.167 -0.224 -0.167 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -19.731 -1.028 -2.061 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -20.916 -2.267 -2.424 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -21.643 -1.592 -4.440 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -22.450 -0.044 -4.709 1.00 0.00 H new ATOM 1032 N ASP A 69 -20.108 -4.267 -0.918 1.00 0.00 N ATOM 1033 CA ASP A 69 -20.254 -5.664 -1.301 1.00 0.00 C ATOM 1034 C ASP A 69 -19.367 -6.510 -0.401 1.00 0.00 C ATOM 1035 O ASP A 69 -18.146 -6.378 -0.454 1.00 0.00 O ATOM 1036 CB ASP A 69 -19.829 -5.865 -2.759 1.00 0.00 C ATOM 1037 CG ASP A 69 -19.602 -7.340 -3.102 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -20.325 -8.220 -2.577 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -18.671 -7.600 -3.896 1.00 0.00 O ATOM 0 H ASP A 69 -19.406 -3.774 -1.470 1.00 0.00 H new ATOM 0 HA ASP A 69 -21.298 -5.959 -1.196 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -20.595 -5.455 -3.418 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -18.913 -5.305 -2.948 1.00 0.00 H new ATOM 1044 N VAL A 70 -19.948 -7.408 0.395 1.00 0.00 N ATOM 1045 CA VAL A 70 -19.185 -8.266 1.290 1.00 0.00 C ATOM 1046 C VAL A 70 -18.162 -9.127 0.538 1.00 0.00 C ATOM 1047 O VAL A 70 -17.097 -9.378 1.099 1.00 0.00 O ATOM 1048 CB VAL A 70 -20.119 -9.134 2.155 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -19.304 -9.887 3.217 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -21.184 -8.285 2.866 1.00 0.00 C ATOM 0 H VAL A 70 -20.956 -7.558 0.435 1.00 0.00 H new ATOM 0 HA VAL A 70 -18.619 -7.612 1.954 1.00 0.00 H new ATOM 0 HB VAL A 70 -20.618 -9.838 1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -19.973 -10.498 3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -18.572 -10.528 2.727 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -18.788 -9.170 3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -21.824 -8.932 3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -20.696 -7.556 3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.789 -7.764 2.124 1.00 0.00 H new ATOM 1060 N ALA A 71 -18.418 -9.572 -0.699 1.00 0.00 N ATOM 1061 CA ALA A 71 -17.430 -10.373 -1.420 1.00 0.00 C ATOM 1062 C ALA A 71 -16.164 -9.549 -1.648 1.00 0.00 C ATOM 1063 O ALA A 71 -15.069 -9.959 -1.263 1.00 0.00 O ATOM 1064 CB ALA A 71 -18.007 -10.914 -2.729 1.00 0.00 C ATOM 0 H ALA A 71 -19.283 -9.394 -1.210 1.00 0.00 H new ATOM 0 HA ALA A 71 -17.165 -11.240 -0.815 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -17.250 -11.506 -3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.873 -11.541 -2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.311 -10.082 -3.364 1.00 0.00 H new ATOM 1070 N THR A 72 -16.326 -8.367 -2.225 1.00 0.00 N ATOM 1071 CA THR A 72 -15.273 -7.389 -2.442 1.00 0.00 C ATOM 1072 C THR A 72 -14.629 -6.967 -1.115 1.00 0.00 C ATOM 1073 O THR A 72 -13.406 -7.023 -1.000 1.00 0.00 O ATOM 1074 CB THR A 72 -15.887 -6.232 -3.237 1.00 0.00 C ATOM 1075 OG1 THR A 72 -16.332 -6.762 -4.471 1.00 0.00 O ATOM 1076 CG2 THR A 72 -14.927 -5.079 -3.483 1.00 0.00 C ATOM 0 H THR A 72 -17.233 -8.051 -2.569 1.00 0.00 H new ATOM 0 HA THR A 72 -14.449 -7.806 -3.021 1.00 0.00 H new ATOM 0 HB THR A 72 -16.703 -5.810 -2.651 1.00 0.00 H new ATOM 0 HG1 THR A 72 -17.244 -7.106 -4.369 1.00 0.00 H new ATOM 0 HG21 THR A 72 -15.433 -4.299 -4.051 1.00 0.00 H new ATOM 0 HG22 THR A 72 -14.593 -4.674 -2.528 1.00 0.00 H new ATOM 0 HG23 THR A 72 -14.065 -5.437 -4.046 1.00 0.00 H new ATOM 1084 N ARG A 73 -15.414 -6.616 -0.088 1.00 0.00 N ATOM 1085 CA ARG A 73 -14.903 -6.266 1.230 1.00 0.00 C ATOM 1086 C ARG A 73 -13.987 -7.367 1.738 1.00 0.00 C ATOM 1087 O ARG A 73 -12.870 -7.065 2.146 1.00 0.00 O ATOM 1088 CB ARG A 73 -16.056 -6.015 2.220 1.00 0.00 C ATOM 1089 CG ARG A 73 -15.490 -5.418 3.512 1.00 0.00 C ATOM 1090 CD ARG A 73 -16.522 -5.284 4.638 1.00 0.00 C ATOM 1091 NE ARG A 73 -15.862 -4.945 5.916 1.00 0.00 N ATOM 1092 CZ ARG A 73 -16.422 -4.411 7.011 1.00 0.00 C ATOM 1093 NH1 ARG A 73 -17.710 -4.106 7.051 1.00 0.00 N ATOM 1094 NH2 ARG A 73 -15.677 -4.146 8.079 1.00 0.00 N ATOM 0 H ARG A 73 -16.431 -6.569 -0.157 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.331 -5.342 1.147 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.787 -5.336 1.781 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -16.577 -6.948 2.434 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.667 -6.042 3.859 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.074 -4.434 3.295 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.248 -4.512 4.382 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -17.074 -6.218 4.745 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.862 -5.140 5.972 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.300 -4.276 6.237 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.112 -3.701 7.896 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.677 -4.349 8.067 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.105 -3.740 8.911 1.00 0.00 H new ATOM 1108 N SER A 74 -14.446 -8.620 1.708 1.00 0.00 N ATOM 1109 CA SER A 74 -13.671 -9.761 2.166 1.00 0.00 C ATOM 1110 C SER A 74 -12.289 -9.774 1.508 1.00 0.00 C ATOM 1111 O SER A 74 -11.311 -9.942 2.216 1.00 0.00 O ATOM 1112 CB SER A 74 -14.431 -11.070 1.923 1.00 0.00 C ATOM 1113 OG SER A 74 -15.689 -11.080 2.580 1.00 0.00 O ATOM 0 H SER A 74 -15.373 -8.867 1.362 1.00 0.00 H new ATOM 0 HA SER A 74 -13.521 -9.669 3.242 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.579 -11.211 0.852 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.831 -11.909 2.275 1.00 0.00 H new ATOM 0 HG SER A 74 -16.369 -10.691 1.991 1.00 0.00 H new ATOM 1119 N ARG A 75 -12.164 -9.487 0.209 1.00 0.00 N ATOM 1120 CA ARG A 75 -10.871 -9.516 -0.490 1.00 0.00 C ATOM 1121 C ARG A 75 -9.884 -8.590 0.190 1.00 0.00 C ATOM 1122 O ARG A 75 -8.814 -9.037 0.604 1.00 0.00 O ATOM 1123 CB ARG A 75 -11.033 -9.138 -1.975 1.00 0.00 C ATOM 1124 CG ARG A 75 -11.902 -10.147 -2.731 1.00 0.00 C ATOM 1125 CD ARG A 75 -12.171 -9.690 -4.165 1.00 0.00 C ATOM 1126 NE ARG A 75 -13.304 -10.371 -4.826 1.00 0.00 N ATOM 1127 CZ ARG A 75 -13.395 -11.654 -5.208 1.00 0.00 C ATOM 1128 NH1 ARG A 75 -12.477 -12.553 -4.867 1.00 0.00 N ATOM 1129 NH2 ARG A 75 -14.425 -12.038 -5.952 1.00 0.00 N ATOM 0 H ARG A 75 -12.950 -9.229 -0.387 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.484 -10.534 -0.444 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.479 -8.147 -2.050 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.051 -9.082 -2.444 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.407 -11.118 -2.744 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.848 -10.279 -2.206 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -12.362 -8.617 -4.160 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.271 -9.851 -4.759 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.121 -9.791 -5.016 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.676 -12.274 -4.300 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.573 -13.521 -5.172 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.136 -11.360 -6.227 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.505 -13.011 -6.249 1.00 0.00 H new ATOM 1143 N TYR A 76 -10.267 -7.322 0.326 1.00 0.00 N ATOM 1144 CA TYR A 76 -9.477 -6.310 0.993 1.00 0.00 C ATOM 1145 C TYR A 76 -9.162 -6.719 2.423 1.00 0.00 C ATOM 1146 O TYR A 76 -8.002 -6.763 2.811 1.00 0.00 O ATOM 1147 CB TYR A 76 -10.260 -4.994 0.969 1.00 0.00 C ATOM 1148 CG TYR A 76 -10.491 -4.434 -0.422 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -9.404 -4.199 -1.283 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -11.794 -4.161 -0.867 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -9.597 -3.696 -2.578 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -11.996 -3.645 -2.158 1.00 0.00 C ATOM 1153 CZ TYR A 76 -10.905 -3.403 -3.023 1.00 0.00 C ATOM 1154 OH TYR A 76 -11.114 -2.884 -4.266 1.00 0.00 O ATOM 0 H TYR A 76 -11.154 -6.971 -0.034 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.526 -6.188 0.474 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.225 -5.150 1.451 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.723 -4.254 1.562 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.402 -4.410 -0.941 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.638 -4.347 -0.219 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.752 -3.534 -3.230 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.000 -3.430 -2.494 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.074 -2.746 -4.405 1.00 0.00 H new ATOM 1164 N VAL A 77 -10.184 -7.028 3.215 1.00 0.00 N ATOM 1165 CA VAL A 77 -10.065 -7.436 4.608 1.00 0.00 C ATOM 1166 C VAL A 77 -9.062 -8.574 4.752 1.00 0.00 C ATOM 1167 O VAL A 77 -8.112 -8.469 5.527 1.00 0.00 O ATOM 1168 CB VAL A 77 -11.473 -7.811 5.105 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -11.476 -8.632 6.399 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -12.268 -6.511 5.280 1.00 0.00 C ATOM 0 H VAL A 77 -11.151 -7.000 2.892 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.679 -6.624 5.224 1.00 0.00 H new ATOM 0 HB VAL A 77 -11.934 -8.461 4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.504 -8.857 6.685 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.931 -9.563 6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -10.995 -8.061 7.193 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.273 -6.744 5.632 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.767 -5.873 6.008 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -12.330 -5.991 4.324 1.00 0.00 H new ATOM 1180 N ARG A 78 -9.265 -9.656 4.007 1.00 0.00 N ATOM 1181 CA ARG A 78 -8.438 -10.843 4.121 1.00 0.00 C ATOM 1182 C ARG A 78 -7.019 -10.513 3.700 1.00 0.00 C ATOM 1183 O ARG A 78 -6.084 -10.954 4.361 1.00 0.00 O ATOM 1184 CB ARG A 78 -9.025 -12.014 3.313 1.00 0.00 C ATOM 1185 CG ARG A 78 -10.383 -12.471 3.873 1.00 0.00 C ATOM 1186 CD ARG A 78 -10.580 -13.976 3.762 1.00 0.00 C ATOM 1187 NE ARG A 78 -11.928 -14.377 4.201 1.00 0.00 N ATOM 1188 CZ ARG A 78 -12.342 -15.633 4.408 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -11.531 -16.665 4.203 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -13.578 -15.868 4.823 1.00 0.00 N ATOM 0 H ARG A 78 -10.006 -9.731 3.310 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.420 -11.167 5.161 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.144 -11.714 2.272 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.326 -12.851 3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.460 -12.173 4.919 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.184 -11.962 3.337 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.424 -14.289 2.730 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.832 -14.488 4.367 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.606 -13.632 4.361 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.576 -16.507 3.883 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.864 -17.615 4.366 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.218 -15.090 4.986 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.890 -16.826 4.980 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.839 -9.716 2.647 1.00 0.00 N ATOM 1205 CA LEU A 79 -5.517 -9.345 2.184 1.00 0.00 C ATOM 1206 C LEU A 79 -4.797 -8.443 3.194 1.00 0.00 C ATOM 1207 O LEU A 79 -3.609 -8.646 3.435 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.629 -8.703 0.798 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.232 -8.473 0.192 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.500 -9.783 -0.132 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -4.375 -7.658 -1.081 1.00 0.00 C ATOM 0 H LEU A 79 -7.602 -9.317 2.101 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.902 -10.241 2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.215 -9.345 0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.160 -7.754 0.873 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.637 -7.944 0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.522 -9.558 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.374 -10.365 0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.084 -10.358 -0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.391 -7.490 -1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.000 -8.200 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.838 -6.699 -0.849 1.00 0.00 H new ATOM 1223 N VAL A 80 -5.493 -7.478 3.800 1.00 0.00 N ATOM 1224 CA VAL A 80 -4.994 -6.664 4.906 1.00 0.00 C ATOM 1225 C VAL A 80 -4.513 -7.591 6.028 1.00 0.00 C ATOM 1226 O VAL A 80 -3.400 -7.437 6.529 1.00 0.00 O ATOM 1227 CB VAL A 80 -6.080 -5.659 5.366 1.00 0.00 C ATOM 1228 CG1 VAL A 80 -5.746 -4.998 6.711 1.00 0.00 C ATOM 1229 CG2 VAL A 80 -6.282 -4.526 4.345 1.00 0.00 C ATOM 0 H VAL A 80 -6.445 -7.236 3.526 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.142 -6.064 4.588 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.987 -6.256 5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.542 -4.304 6.983 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.654 -5.765 7.480 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.805 -4.455 6.626 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.052 -3.844 4.706 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.346 -3.982 4.216 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.591 -4.949 3.389 1.00 0.00 H new ATOM 1239 N ASP A 81 -5.334 -8.569 6.410 1.00 0.00 N ATOM 1240 CA ASP A 81 -5.024 -9.534 7.459 1.00 0.00 C ATOM 1241 C ASP A 81 -3.789 -10.368 7.104 1.00 0.00 C ATOM 1242 O ASP A 81 -2.936 -10.599 7.961 1.00 0.00 O ATOM 1243 CB ASP A 81 -6.239 -10.442 7.709 1.00 0.00 C ATOM 1244 CG ASP A 81 -6.842 -10.185 9.081 1.00 0.00 C ATOM 1245 OD1 ASP A 81 -6.350 -10.789 10.058 1.00 0.00 O ATOM 1246 OD2 ASP A 81 -7.807 -9.401 9.215 1.00 0.00 O ATOM 0 H ASP A 81 -6.252 -8.714 5.989 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.796 -8.985 8.373 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.991 -10.268 6.940 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.938 -11.487 7.631 1.00 0.00 H new ATOM 1251 N SER A 82 -3.691 -10.803 5.846 1.00 0.00 N ATOM 1252 CA SER A 82 -2.605 -11.594 5.286 1.00 0.00 C ATOM 1253 C SER A 82 -1.285 -10.808 5.242 1.00 0.00 C ATOM 1254 O SER A 82 -0.218 -11.394 5.402 1.00 0.00 O ATOM 1255 CB SER A 82 -3.037 -12.036 3.877 1.00 0.00 C ATOM 1256 OG SER A 82 -3.958 -13.118 3.901 1.00 0.00 O ATOM 0 H SER A 82 -4.412 -10.598 5.155 1.00 0.00 H new ATOM 0 HA SER A 82 -2.415 -12.461 5.918 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.489 -11.191 3.358 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.156 -12.327 3.305 1.00 0.00 H new ATOM 0 HG SER A 82 -4.864 -12.774 4.049 1.00 0.00 H new ATOM 1262 N VAL A 83 -1.307 -9.487 5.054 1.00 0.00 N ATOM 1263 CA VAL A 83 -0.083 -8.690 5.113 1.00 0.00 C ATOM 1264 C VAL A 83 0.532 -8.758 6.510 1.00 0.00 C ATOM 1265 O VAL A 83 1.757 -8.839 6.608 1.00 0.00 O ATOM 1266 CB VAL A 83 -0.384 -7.251 4.649 1.00 0.00 C ATOM 1267 CG1 VAL A 83 0.632 -6.198 5.120 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -0.426 -7.251 3.115 1.00 0.00 C ATOM 0 H VAL A 83 -2.153 -8.951 4.861 1.00 0.00 H new ATOM 0 HA VAL A 83 0.665 -9.098 4.433 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.335 -6.966 5.099 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.339 -5.217 4.746 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.657 -6.178 6.210 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.621 -6.451 4.739 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.638 -6.244 2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.537 -7.580 2.725 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.207 -7.929 2.772 1.00 0.00 H new ATOM 1278 N LYS A 84 -0.278 -8.762 7.575 1.00 0.00 N ATOM 1279 CA LYS A 84 0.245 -8.849 8.937 1.00 0.00 C ATOM 1280 C LYS A 84 0.995 -10.161 9.119 1.00 0.00 C ATOM 1281 O LYS A 84 2.105 -10.162 9.653 1.00 0.00 O ATOM 1282 CB LYS A 84 -0.877 -8.740 9.974 1.00 0.00 C ATOM 1283 CG LYS A 84 -1.740 -7.483 9.808 1.00 0.00 C ATOM 1284 CD LYS A 84 -2.726 -7.409 10.972 1.00 0.00 C ATOM 1285 CE LYS A 84 -3.815 -6.368 10.727 1.00 0.00 C ATOM 1286 NZ LYS A 84 -4.838 -6.430 11.787 1.00 0.00 N ATOM 0 H LYS A 84 -1.295 -8.706 7.517 1.00 0.00 H new ATOM 0 HA LYS A 84 0.928 -8.014 9.092 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.514 -9.621 9.903 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.440 -8.743 10.973 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.111 -6.593 9.788 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.277 -7.515 8.860 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.185 -8.386 11.123 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.189 -7.164 11.888 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.374 -5.372 10.697 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.279 -6.540 9.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -5.571 -5.715 11.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.271 -7.375 11.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.394 -6.243 12.709 1.00 0.00 H new ATOM 1300 N GLU A 85 0.414 -11.261 8.634 1.00 0.00 N ATOM 1301 CA GLU A 85 1.020 -12.590 8.660 1.00 0.00 C ATOM 1302 C GLU A 85 2.405 -12.555 8.004 1.00 0.00 C ATOM 1303 O GLU A 85 3.336 -13.203 8.481 1.00 0.00 O ATOM 1304 CB GLU A 85 0.136 -13.606 7.940 1.00 0.00 C ATOM 1305 CG GLU A 85 -1.257 -13.754 8.555 1.00 0.00 C ATOM 1306 CD GLU A 85 -1.287 -14.749 9.708 1.00 0.00 C ATOM 1307 OE1 GLU A 85 -0.832 -14.419 10.825 1.00 0.00 O ATOM 1308 OE2 GLU A 85 -1.811 -15.868 9.507 1.00 0.00 O ATOM 0 H GLU A 85 -0.511 -11.250 8.204 1.00 0.00 H new ATOM 0 HA GLU A 85 1.122 -12.894 9.702 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.033 -13.310 6.896 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.632 -14.576 7.948 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.598 -12.782 8.910 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.958 -14.076 7.784 1.00 0.00 H new ATOM 1315 N ASN A 86 2.542 -11.774 6.929 1.00 0.00 N ATOM 1316 CA ASN A 86 3.736 -11.679 6.096 1.00 0.00 C ATOM 1317 C ASN A 86 4.647 -10.532 6.536 1.00 0.00 C ATOM 1318 O ASN A 86 5.500 -10.100 5.752 1.00 0.00 O ATOM 1319 CB ASN A 86 3.335 -11.519 4.624 1.00 0.00 C ATOM 1320 CG ASN A 86 2.590 -12.721 4.073 1.00 0.00 C ATOM 1321 OD1 ASN A 86 2.142 -13.619 4.779 1.00 0.00 O ATOM 1322 ND2 ASN A 86 2.395 -12.755 2.774 1.00 0.00 N ATOM 0 H ASN A 86 1.790 -11.166 6.605 1.00 0.00 H new ATOM 0 HA ASN A 86 4.303 -12.603 6.214 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.709 -10.633 4.519 1.00 0.00 H new ATOM 0 HB3 ASN A 86 4.231 -11.350 4.026 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.873 -13.526 2.357 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.765 -12.011 2.183 1.00 0.00 H new ATOM 1329 N ALA A 87 4.450 -10.020 7.756 1.00 0.00 N ATOM 1330 CA ALA A 87 5.296 -9.100 8.515 1.00 0.00 C ATOM 1331 C ALA A 87 4.991 -7.622 8.274 1.00 0.00 C ATOM 1332 O ALA A 87 5.724 -6.787 8.811 1.00 0.00 O ATOM 1333 CB ALA A 87 6.792 -9.333 8.246 1.00 0.00 C ATOM 0 H ALA A 87 3.613 -10.265 8.285 1.00 0.00 H new ATOM 0 HA ALA A 87 5.058 -9.327 9.554 1.00 0.00 H new ATOM 0 HB1 ALA A 87 7.381 -8.627 8.831 1.00 0.00 H new ATOM 0 HB2 ALA A 87 7.059 -10.351 8.530 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.998 -9.186 7.186 1.00 0.00 H new ATOM 1339 N GLY A 88 4.001 -7.277 7.451 1.00 0.00 N ATOM 1340 CA GLY A 88 3.817 -5.920 6.957 1.00 0.00 C ATOM 1341 C GLY A 88 2.928 -5.075 7.867 1.00 0.00 C ATOM 1342 O GLY A 88 2.056 -5.582 8.575 1.00 0.00 O ATOM 0 H GLY A 88 3.303 -7.937 7.109 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.790 -5.439 6.859 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.378 -5.957 5.960 1.00 0.00 H new ATOM 1346 N THR A 89 3.159 -3.767 7.829 1.00 0.00 N ATOM 1347 CA THR A 89 2.401 -2.727 8.505 1.00 0.00 C ATOM 1348 C THR A 89 1.142 -2.430 7.682 1.00 0.00 C ATOM 1349 O THR A 89 1.141 -2.553 6.452 1.00 0.00 O ATOM 1350 CB THR A 89 3.323 -1.498 8.605 1.00 0.00 C ATOM 1351 OG1 THR A 89 4.445 -1.808 9.412 1.00 0.00 O ATOM 1352 CG2 THR A 89 2.671 -0.246 9.204 1.00 0.00 C ATOM 0 H THR A 89 3.933 -3.382 7.288 1.00 0.00 H new ATOM 0 HA THR A 89 2.082 -3.022 9.505 1.00 0.00 H new ATOM 0 HB THR A 89 3.590 -1.267 7.574 1.00 0.00 H new ATOM 0 HG1 THR A 89 5.031 -1.025 9.472 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.399 0.565 9.233 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.821 0.051 8.590 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.329 -0.463 10.216 1.00 0.00 H new ATOM 1360 N VAL A 90 0.080 -1.975 8.346 1.00 0.00 N ATOM 1361 CA VAL A 90 -1.203 -1.677 7.730 1.00 0.00 C ATOM 1362 C VAL A 90 -1.478 -0.183 7.921 1.00 0.00 C ATOM 1363 O VAL A 90 -1.208 0.393 8.977 1.00 0.00 O ATOM 1364 CB VAL A 90 -2.265 -2.613 8.350 1.00 0.00 C ATOM 1365 CG1 VAL A 90 -3.693 -2.238 7.935 1.00 0.00 C ATOM 1366 CG2 VAL A 90 -2.004 -4.077 7.954 1.00 0.00 C ATOM 0 H VAL A 90 0.093 -1.801 9.351 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.221 -1.864 6.656 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.179 -2.495 9.430 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.399 -2.927 8.398 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.911 -1.221 8.261 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.785 -2.299 6.851 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.764 -4.716 8.402 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.043 -4.173 6.869 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.019 -4.380 8.310 1.00 0.00 H new ATOM 1376 N ARG A 91 -2.015 0.467 6.892 1.00 0.00 N ATOM 1377 CA ARG A 91 -2.394 1.872 6.899 1.00 0.00 C ATOM 1378 C ARG A 91 -3.812 1.927 6.355 1.00 0.00 C ATOM 1379 O ARG A 91 -4.065 1.453 5.249 1.00 0.00 O ATOM 1380 CB ARG A 91 -1.430 2.712 6.035 1.00 0.00 C ATOM 1381 CG ARG A 91 0.068 2.577 6.356 1.00 0.00 C ATOM 1382 CD ARG A 91 0.427 3.417 7.575 1.00 0.00 C ATOM 1383 NE ARG A 91 1.846 3.344 7.966 1.00 0.00 N ATOM 1384 CZ ARG A 91 2.351 3.938 9.058 1.00 0.00 C ATOM 1385 NH1 ARG A 91 1.566 4.571 9.921 1.00 0.00 N ATOM 1386 NH2 ARG A 91 3.650 3.897 9.292 1.00 0.00 N ATOM 0 H ARG A 91 -2.204 0.011 5.999 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.342 2.291 7.904 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.582 2.440 4.990 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.708 3.761 6.135 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.314 1.531 6.542 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.661 2.897 5.499 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.171 4.457 7.373 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.187 3.095 8.417 1.00 0.00 H new ATOM 0 HE ARG A 91 2.481 2.811 7.372 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.560 4.612 9.760 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.969 5.016 10.745 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.270 3.414 8.642 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.033 4.349 10.122 1.00 0.00 H new ATOM 1400 N ILE A 92 -4.723 2.466 7.152 1.00 0.00 N ATOM 1401 CA ILE A 92 -6.144 2.564 6.874 1.00 0.00 C ATOM 1402 C ILE A 92 -6.398 4.058 6.721 1.00 0.00 C ATOM 1403 O ILE A 92 -6.292 4.809 7.697 1.00 0.00 O ATOM 1404 CB ILE A 92 -6.971 1.909 8.004 1.00 0.00 C ATOM 1405 CG1 ILE A 92 -6.573 0.448 8.307 1.00 0.00 C ATOM 1406 CG2 ILE A 92 -8.476 2.005 7.710 1.00 0.00 C ATOM 1407 CD1 ILE A 92 -6.711 -0.547 7.151 1.00 0.00 C ATOM 0 H ILE A 92 -4.475 2.867 8.057 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.448 2.028 5.975 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.739 2.479 8.904 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.537 0.439 8.644 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.182 0.093 9.138 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -9.036 1.537 8.520 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.765 3.053 7.628 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.697 1.493 6.773 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.403 -1.538 7.485 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.750 -0.582 6.823 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.079 -0.231 6.321 1.00 0.00 H new ATOM 1419 N PHE A 93 -6.642 4.485 5.489 1.00 0.00 N ATOM 1420 CA PHE A 93 -6.726 5.876 5.088 1.00 0.00 C ATOM 1421 C PHE A 93 -8.159 6.357 5.222 1.00 0.00 C ATOM 1422 O PHE A 93 -9.104 5.597 5.004 1.00 0.00 O ATOM 1423 CB PHE A 93 -6.326 5.992 3.615 1.00 0.00 C ATOM 1424 CG PHE A 93 -4.854 6.058 3.275 1.00 0.00 C ATOM 1425 CD1 PHE A 93 -3.832 5.483 4.060 1.00 0.00 C ATOM 1426 CD2 PHE A 93 -4.520 6.708 2.083 1.00 0.00 C ATOM 1427 CE1 PHE A 93 -2.481 5.671 3.700 1.00 0.00 C ATOM 1428 CE2 PHE A 93 -3.186 6.836 1.698 1.00 0.00 C ATOM 1429 CZ PHE A 93 -2.154 6.374 2.525 1.00 0.00 C ATOM 0 H PHE A 93 -6.793 3.841 4.712 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.067 6.473 5.718 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.751 5.139 3.087 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.801 6.886 3.211 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.083 4.901 4.934 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.300 7.114 1.456 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.696 5.275 4.327 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.946 7.297 0.751 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.122 6.555 2.265 1.00 0.00 H new ATOM 1439 N SER A 94 -8.300 7.639 5.544 1.00 0.00 N ATOM 1440 CA SER A 94 -9.581 8.312 5.535 1.00 0.00 C ATOM 1441 C SER A 94 -10.004 8.533 4.080 1.00 0.00 C ATOM 1442 O SER A 94 -9.212 9.067 3.301 1.00 0.00 O ATOM 1443 CB SER A 94 -9.458 9.682 6.218 1.00 0.00 C ATOM 1444 OG SER A 94 -8.494 9.730 7.261 1.00 0.00 O ATOM 0 H SER A 94 -7.521 8.237 5.819 1.00 0.00 H new ATOM 0 HA SER A 94 -10.314 7.704 6.066 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.200 10.428 5.466 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.430 9.961 6.624 1.00 0.00 H new ATOM 0 HG SER A 94 -8.472 10.631 7.645 1.00 0.00 H new ATOM 1450 N SER A 95 -11.267 8.282 3.741 1.00 0.00 N ATOM 1451 CA SER A 95 -11.860 8.694 2.467 1.00 0.00 C ATOM 1452 C SER A 95 -12.083 10.226 2.405 1.00 0.00 C ATOM 1453 O SER A 95 -12.681 10.733 1.458 1.00 0.00 O ATOM 1454 CB SER A 95 -13.163 7.899 2.283 1.00 0.00 C ATOM 1455 OG SER A 95 -13.670 7.981 0.965 1.00 0.00 O ATOM 0 H SER A 95 -11.916 7.782 4.349 1.00 0.00 H new ATOM 0 HA SER A 95 -11.180 8.473 1.644 1.00 0.00 H new ATOM 0 HB2 SER A 95 -12.985 6.854 2.535 1.00 0.00 H new ATOM 0 HB3 SER A 95 -13.913 8.272 2.980 1.00 0.00 H new ATOM 0 HG SER A 95 -13.076 7.495 0.355 1.00 0.00 H new ATOM 1461 N LEU A 96 -11.637 10.973 3.422 1.00 0.00 N ATOM 1462 CA LEU A 96 -11.948 12.383 3.673 1.00 0.00 C ATOM 1463 C LEU A 96 -10.694 13.264 3.719 1.00 0.00 C ATOM 1464 O LEU A 96 -10.799 14.465 3.973 1.00 0.00 O ATOM 1465 CB LEU A 96 -12.691 12.473 5.018 1.00 0.00 C ATOM 1466 CG LEU A 96 -14.107 11.870 4.990 1.00 0.00 C ATOM 1467 CD1 LEU A 96 -14.557 11.602 6.427 1.00 0.00 C ATOM 1468 CD2 LEU A 96 -15.099 12.813 4.300 1.00 0.00 C ATOM 0 H LEU A 96 -11.014 10.587 4.131 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.562 12.752 2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -12.104 11.962 5.781 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.758 13.519 5.315 1.00 0.00 H new ATOM 0 HG LEU A 96 -14.083 10.940 4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.560 11.174 6.421 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.867 10.903 6.900 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -14.565 12.538 6.986 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -16.090 12.359 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.136 13.760 4.839 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.778 12.992 3.274 1.00 0.00 H new ATOM 1480 N HIS A 97 -9.510 12.674 3.550 1.00 0.00 N ATOM 1481 CA HIS A 97 -8.213 13.296 3.580 1.00 0.00 C ATOM 1482 C HIS A 97 -7.640 13.399 2.167 1.00 0.00 C ATOM 1483 O HIS A 97 -7.987 12.578 1.317 1.00 0.00 O ATOM 1484 CB HIS A 97 -7.335 12.366 4.434 1.00 0.00 C ATOM 1485 CG HIS A 97 -6.084 13.037 4.868 1.00 0.00 C ATOM 1486 ND1 HIS A 97 -4.788 12.637 4.687 1.00 0.00 N ATOM 1487 CD2 HIS A 97 -6.084 14.240 5.490 1.00 0.00 C ATOM 1488 CE1 HIS A 97 -4.012 13.611 5.174 1.00 0.00 C ATOM 1489 NE2 HIS A 97 -4.750 14.610 5.706 1.00 0.00 N ATOM 0 H HIS A 97 -9.443 11.671 3.376 1.00 0.00 H new ATOM 0 HA HIS A 97 -8.259 14.306 3.986 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.896 12.040 5.310 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.089 11.472 3.862 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -6.956 14.812 5.770 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -2.932 13.601 5.146 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.409 15.454 6.167 1.00 0.00 H new ATOM 1497 N VAL A 98 -6.669 14.294 1.940 1.00 0.00 N ATOM 1498 CA VAL A 98 -5.999 14.391 0.645 1.00 0.00 C ATOM 1499 C VAL A 98 -5.318 13.062 0.319 1.00 0.00 C ATOM 1500 O VAL A 98 -5.362 12.607 -0.817 1.00 0.00 O ATOM 1501 CB VAL A 98 -5.045 15.604 0.560 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -3.667 15.352 1.195 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -4.854 16.043 -0.898 1.00 0.00 C ATOM 0 H VAL A 98 -6.334 14.958 2.638 1.00 0.00 H new ATOM 0 HA VAL A 98 -6.750 14.579 -0.123 1.00 0.00 H new ATOM 0 HB VAL A 98 -5.526 16.395 1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.052 16.247 1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.791 15.111 2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.179 14.520 0.688 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.179 16.898 -0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.429 15.220 -1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.818 16.323 -1.323 1.00 0.00 H new ATOM 1513 N SER A 99 -4.721 12.401 1.317 1.00 0.00 N ATOM 1514 CA SER A 99 -4.111 11.095 1.126 1.00 0.00 C ATOM 1515 C SER A 99 -5.133 10.073 0.618 1.00 0.00 C ATOM 1516 O SER A 99 -4.740 9.158 -0.097 1.00 0.00 O ATOM 1517 CB SER A 99 -3.455 10.638 2.433 1.00 0.00 C ATOM 1518 OG SER A 99 -2.577 11.640 2.906 1.00 0.00 O ATOM 0 H SER A 99 -4.651 12.759 2.270 1.00 0.00 H new ATOM 0 HA SER A 99 -3.339 11.174 0.361 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.220 10.430 3.181 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.908 9.710 2.270 1.00 0.00 H new ATOM 0 HG SER A 99 -1.655 11.405 2.670 1.00 0.00 H new ATOM 1524 N GLY A 100 -6.420 10.250 0.930 1.00 0.00 N ATOM 1525 CA GLY A 100 -7.470 9.368 0.478 1.00 0.00 C ATOM 1526 C GLY A 100 -7.731 9.547 -1.005 1.00 0.00 C ATOM 1527 O GLY A 100 -7.654 8.572 -1.744 1.00 0.00 O ATOM 0 H GLY A 100 -6.753 11.020 1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.192 8.333 0.679 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.384 9.568 1.038 1.00 0.00 H new ATOM 1531 N GLU A 101 -8.008 10.776 -1.451 1.00 0.00 N ATOM 1532 CA GLU A 101 -8.230 11.059 -2.871 1.00 0.00 C ATOM 1533 C GLU A 101 -6.979 10.769 -3.710 1.00 0.00 C ATOM 1534 O GLU A 101 -7.091 10.333 -4.861 1.00 0.00 O ATOM 1535 CB GLU A 101 -8.759 12.483 -3.088 1.00 0.00 C ATOM 1536 CG GLU A 101 -7.778 13.556 -2.623 1.00 0.00 C ATOM 1537 CD GLU A 101 -8.283 14.969 -2.888 1.00 0.00 C ATOM 1538 OE1 GLU A 101 -8.106 15.487 -4.018 1.00 0.00 O ATOM 1539 OE2 GLU A 101 -8.931 15.552 -1.991 1.00 0.00 O ATOM 0 H GLU A 101 -8.084 11.593 -0.846 1.00 0.00 H new ATOM 0 HA GLU A 101 -9.006 10.378 -3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.974 12.628 -4.147 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.701 12.601 -2.552 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -7.593 13.435 -1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -6.824 13.414 -3.130 1.00 0.00 H new ATOM 1546 N GLN A 102 -5.792 10.960 -3.121 1.00 0.00 N ATOM 1547 CA GLN A 102 -4.539 10.553 -3.728 1.00 0.00 C ATOM 1548 C GLN A 102 -4.519 9.040 -3.918 1.00 0.00 C ATOM 1549 O GLN A 102 -4.150 8.589 -4.999 1.00 0.00 O ATOM 1550 CB GLN A 102 -3.313 11.000 -2.934 1.00 0.00 C ATOM 1551 CG GLN A 102 -3.070 12.508 -3.042 1.00 0.00 C ATOM 1552 CD GLN A 102 -1.613 12.892 -3.284 1.00 0.00 C ATOM 1553 OE1 GLN A 102 -1.036 12.551 -4.312 1.00 0.00 O ATOM 1554 NE2 GLN A 102 -0.999 13.661 -2.395 1.00 0.00 N ATOM 0 H GLN A 102 -5.684 11.403 -2.209 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.482 11.051 -4.696 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -3.443 10.729 -1.886 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.434 10.466 -3.295 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.678 12.905 -3.855 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.412 12.986 -2.124 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.483 13.941 -1.542 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.042 13.972 -2.564 1.00 0.00 H new ATOM 1563 N LEU A 103 -4.911 8.261 -2.906 1.00 0.00 N ATOM 1564 CA LEU A 103 -5.006 6.815 -3.048 1.00 0.00 C ATOM 1565 C LEU A 103 -6.035 6.430 -4.094 1.00 0.00 C ATOM 1566 O LEU A 103 -5.810 5.464 -4.811 1.00 0.00 O ATOM 1567 CB LEU A 103 -5.366 6.114 -1.727 1.00 0.00 C ATOM 1568 CG LEU A 103 -4.766 4.702 -1.623 1.00 0.00 C ATOM 1569 CD1 LEU A 103 -3.245 4.648 -1.663 1.00 0.00 C ATOM 1570 CD2 LEU A 103 -5.203 4.015 -0.328 1.00 0.00 C ATOM 0 H LEU A 103 -5.166 8.612 -1.983 1.00 0.00 H new ATOM 0 HA LEU A 103 -4.016 6.483 -3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.011 6.718 -0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.450 6.051 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.146 4.192 -2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.915 3.612 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.891 5.070 -2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.839 5.223 -0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.765 3.018 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.866 4.602 0.527 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.290 3.935 -0.307 1.00 0.00 H new ATOM 1582 N SER A 104 -7.158 7.137 -4.187 1.00 0.00 N ATOM 1583 CA SER A 104 -8.248 6.833 -5.115 1.00 0.00 C ATOM 1584 C SER A 104 -7.788 6.815 -6.577 1.00 0.00 C ATOM 1585 O SER A 104 -8.350 6.060 -7.367 1.00 0.00 O ATOM 1586 CB SER A 104 -9.372 7.853 -4.950 1.00 0.00 C ATOM 1587 OG SER A 104 -9.830 7.892 -3.611 1.00 0.00 O ATOM 0 H SER A 104 -7.341 7.956 -3.607 1.00 0.00 H new ATOM 0 HA SER A 104 -8.605 5.833 -4.870 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.018 8.841 -5.246 1.00 0.00 H new ATOM 0 HB3 SER A 104 -10.199 7.599 -5.613 1.00 0.00 H new ATOM 0 HG SER A 104 -9.120 8.241 -3.033 1.00 0.00 H new ATOM 1593 N GLN A 105 -6.757 7.595 -6.926 1.00 0.00 N ATOM 1594 CA GLN A 105 -6.079 7.582 -8.229 1.00 0.00 C ATOM 1595 C GLN A 105 -5.329 6.277 -8.495 1.00 0.00 C ATOM 1596 O GLN A 105 -4.951 5.992 -9.630 1.00 0.00 O ATOM 1597 CB GLN A 105 -5.054 8.722 -8.247 1.00 0.00 C ATOM 1598 CG GLN A 105 -5.739 10.084 -8.400 1.00 0.00 C ATOM 1599 CD GLN A 105 -4.816 11.285 -8.216 1.00 0.00 C ATOM 1600 OE1 GLN A 105 -3.848 11.222 -7.314 1.00 0.00 O flip ATOM 1601 NE2 GLN A 105 -5.011 12.316 -8.855 1.00 0.00 N flip ATOM 0 H GLN A 105 -6.357 8.279 -6.284 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.844 7.693 -8.998 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -4.473 8.706 -7.325 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -4.353 8.571 -9.068 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.192 10.139 -9.390 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.550 10.151 -7.675 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.759 12.353 -9.547 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.425 13.135 -8.693 1.00 0.00 H new ATOM 1610 N LEU A 106 -5.080 5.505 -7.447 1.00 0.00 N ATOM 1611 CA LEU A 106 -4.395 4.233 -7.427 1.00 0.00 C ATOM 1612 C LEU A 106 -5.353 3.212 -6.815 1.00 0.00 C ATOM 1613 O LEU A 106 -4.995 2.460 -5.904 1.00 0.00 O ATOM 1614 CB LEU A 106 -3.119 4.329 -6.584 1.00 0.00 C ATOM 1615 CG LEU A 106 -2.112 5.434 -6.920 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -1.035 5.375 -5.848 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -1.416 5.221 -8.267 1.00 0.00 C ATOM 0 H LEU A 106 -5.380 5.782 -6.512 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.106 3.937 -8.436 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.416 4.454 -5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.600 3.373 -6.654 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.646 6.383 -6.967 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.288 6.145 -6.040 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.486 5.543 -4.870 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.558 4.395 -5.865 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.715 6.036 -8.448 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.875 4.275 -8.252 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.161 5.200 -9.062 1.00 0.00 H new ATOM 1629 N THR A 107 -6.597 3.181 -7.287 1.00 0.00 N ATOM 1630 CA THR A 107 -7.655 2.251 -6.899 1.00 0.00 C ATOM 1631 C THR A 107 -8.084 2.345 -5.422 1.00 0.00 C ATOM 1632 O THR A 107 -8.916 1.555 -4.986 1.00 0.00 O ATOM 1633 CB THR A 107 -7.320 0.817 -7.377 1.00 0.00 C ATOM 1634 OG1 THR A 107 -6.158 0.305 -6.772 1.00 0.00 O ATOM 1635 CG2 THR A 107 -7.075 0.739 -8.887 1.00 0.00 C ATOM 0 H THR A 107 -6.913 3.845 -7.994 1.00 0.00 H new ATOM 0 HA THR A 107 -8.558 2.563 -7.423 1.00 0.00 H new ATOM 0 HB THR A 107 -8.197 0.234 -7.096 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.844 0.930 -6.085 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.845 -0.289 -9.166 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.969 1.067 -9.418 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.237 1.383 -9.153 1.00 0.00 H new ATOM 1643 N GLY A 108 -7.545 3.297 -4.655 1.00 0.00 N ATOM 1644 CA GLY A 108 -7.629 3.411 -3.204 1.00 0.00 C ATOM 1645 C GLY A 108 -6.979 2.234 -2.476 1.00 0.00 C ATOM 1646 O GLY A 108 -7.339 1.969 -1.329 1.00 0.00 O ATOM 0 H GLY A 108 -7.002 4.058 -5.063 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -7.148 4.337 -2.889 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.676 3.480 -2.910 1.00 0.00 H new ATOM 1650 N VAL A 109 -6.024 1.533 -3.103 1.00 0.00 N ATOM 1651 CA VAL A 109 -5.387 0.361 -2.517 1.00 0.00 C ATOM 1652 C VAL A 109 -3.975 0.178 -3.123 1.00 0.00 C ATOM 1653 O VAL A 109 -3.827 -0.068 -4.322 1.00 0.00 O ATOM 1654 CB VAL A 109 -6.367 -0.835 -2.652 1.00 0.00 C ATOM 1655 CG1 VAL A 109 -6.712 -1.233 -4.085 1.00 0.00 C ATOM 1656 CG2 VAL A 109 -5.882 -2.043 -1.877 1.00 0.00 C ATOM 0 H VAL A 109 -5.676 1.769 -4.032 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.198 0.463 -1.448 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.296 -0.467 -2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.402 -2.077 -4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.179 -0.390 -4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.802 -1.517 -4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -6.593 -2.860 -1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.908 -2.352 -2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.795 -1.787 -0.821 1.00 0.00 H new ATOM 1666 N ALA A 110 -2.918 0.348 -2.313 1.00 0.00 N ATOM 1667 CA ALA A 110 -1.513 0.272 -2.722 1.00 0.00 C ATOM 1668 C ALA A 110 -0.615 -0.293 -1.603 1.00 0.00 C ATOM 1669 O ALA A 110 -1.101 -0.584 -0.514 1.00 0.00 O ATOM 1670 CB ALA A 110 -1.058 1.664 -3.182 1.00 0.00 C ATOM 0 H ALA A 110 -3.026 0.549 -1.319 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.419 -0.426 -3.553 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -0.013 1.622 -3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -1.671 1.988 -4.023 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -1.166 2.372 -2.360 1.00 0.00 H new ATOM 1676 N ALA A 111 0.686 -0.493 -1.833 1.00 0.00 N ATOM 1677 CA ALA A 111 1.659 -0.912 -0.826 1.00 0.00 C ATOM 1678 C ALA A 111 3.091 -0.672 -1.306 1.00 0.00 C ATOM 1679 O ALA A 111 3.391 -0.825 -2.493 1.00 0.00 O ATOM 1680 CB ALA A 111 1.525 -2.408 -0.518 1.00 0.00 C ATOM 0 H ALA A 111 1.102 -0.363 -2.755 1.00 0.00 H new ATOM 0 HA ALA A 111 1.455 -0.320 0.066 1.00 0.00 H new ATOM 0 HB1 ALA A 111 2.261 -2.692 0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 111 0.523 -2.614 -0.141 1.00 0.00 H new ATOM 0 HB3 ALA A 111 1.696 -2.983 -1.428 1.00 0.00 H new ATOM 1686 N ILE A 112 3.973 -0.363 -0.357 1.00 0.00 N ATOM 1687 CA ILE A 112 5.407 -0.257 -0.542 1.00 0.00 C ATOM 1688 C ILE A 112 5.997 -1.649 -0.384 1.00 0.00 C ATOM 1689 O ILE A 112 5.591 -2.414 0.503 1.00 0.00 O ATOM 1690 CB ILE A 112 6.017 0.720 0.488 1.00 0.00 C ATOM 1691 CG1 ILE A 112 5.344 2.104 0.383 1.00 0.00 C ATOM 1692 CG2 ILE A 112 7.535 0.834 0.260 1.00 0.00 C ATOM 1693 CD1 ILE A 112 5.821 3.100 1.441 1.00 0.00 C ATOM 0 H ILE A 112 3.687 -0.172 0.603 1.00 0.00 H new ATOM 0 HA ILE A 112 5.634 0.136 -1.533 1.00 0.00 H new ATOM 0 HB ILE A 112 5.841 0.334 1.492 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.537 2.518 -0.607 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.265 1.981 0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.962 1.524 0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.995 -0.147 0.377 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.725 1.206 -0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.305 4.050 1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.603 2.708 2.434 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.895 3.253 1.339 1.00 0.00 H new ATOM 1705 N LEU A 113 6.993 -1.948 -1.215 1.00 0.00 N ATOM 1706 CA LEU A 113 7.687 -3.218 -1.217 1.00 0.00 C ATOM 1707 C LEU A 113 9.095 -3.035 -0.659 1.00 0.00 C ATOM 1708 O LEU A 113 9.788 -2.077 -1.012 1.00 0.00 O ATOM 1709 CB LEU A 113 7.743 -3.789 -2.640 1.00 0.00 C ATOM 1710 CG LEU A 113 6.398 -3.821 -3.393 1.00 0.00 C ATOM 1711 CD1 LEU A 113 6.578 -4.325 -4.824 1.00 0.00 C ATOM 1712 CD2 LEU A 113 5.393 -4.744 -2.722 1.00 0.00 C ATOM 0 H LEU A 113 7.342 -1.296 -1.917 1.00 0.00 H new ATOM 0 HA LEU A 113 7.146 -3.923 -0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.452 -3.200 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.137 -4.804 -2.591 1.00 0.00 H new ATOM 0 HG LEU A 113 6.029 -2.795 -3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.613 -4.336 -5.330 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.260 -3.665 -5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.990 -5.334 -4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.460 -4.737 -3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.792 -5.758 -2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.206 -4.400 -1.705 1.00 0.00 H new ATOM 1724 N ARG A 114 9.539 -3.984 0.166 1.00 0.00 N ATOM 1725 CA ARG A 114 10.916 -4.145 0.624 1.00 0.00 C ATOM 1726 C ARG A 114 11.859 -4.166 -0.575 1.00 0.00 C ATOM 1727 O ARG A 114 12.849 -3.433 -0.614 1.00 0.00 O ATOM 1728 CB ARG A 114 11.053 -5.472 1.403 1.00 0.00 C ATOM 1729 CG ARG A 114 10.531 -5.452 2.846 1.00 0.00 C ATOM 1730 CD ARG A 114 10.962 -6.727 3.601 1.00 0.00 C ATOM 1731 NE ARG A 114 11.213 -6.502 5.038 1.00 0.00 N ATOM 1732 CZ ARG A 114 10.325 -6.271 6.016 1.00 0.00 C ATOM 1733 NH1 ARG A 114 9.019 -6.266 5.786 1.00 0.00 N ATOM 1734 NH2 ARG A 114 10.746 -6.047 7.252 1.00 0.00 N ATOM 0 H ARG A 114 8.917 -4.695 0.551 1.00 0.00 H new ATOM 0 HA ARG A 114 11.175 -3.310 1.276 1.00 0.00 H new ATOM 0 HB2 ARG A 114 10.523 -6.251 0.855 1.00 0.00 H new ATOM 0 HB3 ARG A 114 12.105 -5.755 1.420 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.912 -4.571 3.363 1.00 0.00 H new ATOM 0 HG3 ARG A 114 9.444 -5.375 2.843 1.00 0.00 H new ATOM 0 HD2 ARG A 114 10.187 -7.485 3.490 1.00 0.00 H new ATOM 0 HD3 ARG A 114 11.866 -7.125 3.140 1.00 0.00 H new ATOM 0 HE ARG A 114 12.191 -6.525 5.325 1.00 0.00 H new ATOM 0 HH11 ARG A 114 8.666 -6.441 4.845 1.00 0.00 H new ATOM 0 HH12 ARG A 114 8.367 -6.087 6.550 1.00 0.00 H new ATOM 0 HH21 ARG A 114 11.745 -6.050 7.459 1.00 0.00 H new ATOM 0 HH22 ARG A 114 10.071 -5.871 7.997 1.00 0.00 H new ATOM 1748 N PHE A 115 11.561 -5.035 -1.534 1.00 0.00 N ATOM 1749 CA PHE A 115 12.378 -5.403 -2.678 1.00 0.00 C ATOM 1750 C PHE A 115 11.460 -5.437 -3.904 1.00 0.00 C ATOM 1751 O PHE A 115 10.240 -5.529 -3.736 1.00 0.00 O ATOM 1752 CB PHE A 115 13.038 -6.763 -2.384 1.00 0.00 C ATOM 1753 CG PHE A 115 12.134 -7.822 -1.776 1.00 0.00 C ATOM 1754 CD1 PHE A 115 11.202 -8.519 -2.569 1.00 0.00 C ATOM 1755 CD2 PHE A 115 12.245 -8.126 -0.406 1.00 0.00 C ATOM 1756 CE1 PHE A 115 10.420 -9.538 -1.997 1.00 0.00 C ATOM 1757 CE2 PHE A 115 11.430 -9.112 0.175 1.00 0.00 C ATOM 1758 CZ PHE A 115 10.519 -9.821 -0.624 1.00 0.00 C ATOM 0 H PHE A 115 10.673 -5.537 -1.529 1.00 0.00 H new ATOM 0 HA PHE A 115 13.179 -4.690 -2.872 1.00 0.00 H new ATOM 0 HB2 PHE A 115 13.449 -7.154 -3.315 1.00 0.00 H new ATOM 0 HB3 PHE A 115 13.878 -6.599 -1.709 1.00 0.00 H new ATOM 0 HD1 PHE A 115 11.088 -8.271 -3.614 1.00 0.00 H new ATOM 0 HD2 PHE A 115 12.963 -7.597 0.204 1.00 0.00 H new ATOM 0 HE1 PHE A 115 9.740 -10.106 -2.615 1.00 0.00 H new ATOM 0 HE2 PHE A 115 11.504 -9.324 1.231 1.00 0.00 H new ATOM 0 HZ PHE A 115 9.894 -10.584 -0.183 1.00 0.00 H new ATOM 1768 N PRO A 116 11.995 -5.336 -5.130 1.00 0.00 N ATOM 1769 CA PRO A 116 11.169 -5.341 -6.324 1.00 0.00 C ATOM 1770 C PRO A 116 10.555 -6.727 -6.514 1.00 0.00 C ATOM 1771 O PRO A 116 11.188 -7.751 -6.253 1.00 0.00 O ATOM 1772 CB PRO A 116 12.107 -4.940 -7.461 1.00 0.00 C ATOM 1773 CG PRO A 116 13.474 -5.425 -6.994 1.00 0.00 C ATOM 1774 CD PRO A 116 13.408 -5.283 -5.475 1.00 0.00 C ATOM 0 HA PRO A 116 10.327 -4.650 -6.274 1.00 0.00 H new ATOM 0 HB2 PRO A 116 11.817 -5.407 -8.402 1.00 0.00 H new ATOM 0 HB3 PRO A 116 12.099 -3.862 -7.624 1.00 0.00 H new ATOM 0 HG2 PRO A 116 13.656 -6.457 -7.292 1.00 0.00 H new ATOM 0 HG3 PRO A 116 14.279 -4.824 -7.418 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.960 -6.084 -4.984 1.00 0.00 H new ATOM 0 HD3 PRO A 116 13.854 -4.343 -5.151 1.00 0.00 H new ATOM 1782 N VAL A 117 9.310 -6.782 -6.968 1.00 0.00 N ATOM 1783 CA VAL A 117 8.675 -8.042 -7.340 1.00 0.00 C ATOM 1784 C VAL A 117 8.996 -8.269 -8.833 1.00 0.00 C ATOM 1785 O VAL A 117 8.949 -7.306 -9.604 1.00 0.00 O ATOM 1786 CB VAL A 117 7.179 -7.935 -7.000 1.00 0.00 C ATOM 1787 CG1 VAL A 117 6.363 -9.122 -7.531 1.00 0.00 C ATOM 1788 CG2 VAL A 117 6.945 -7.846 -5.480 1.00 0.00 C ATOM 0 H VAL A 117 8.715 -5.962 -7.089 1.00 0.00 H new ATOM 0 HA VAL A 117 9.040 -8.913 -6.796 1.00 0.00 H new ATOM 0 HB VAL A 117 6.842 -7.021 -7.489 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.315 -8.993 -7.261 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.455 -9.171 -8.616 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.739 -10.047 -7.093 1.00 0.00 H new ATOM 0 HG21 VAL A 117 5.876 -7.772 -5.280 1.00 0.00 H new ATOM 0 HG22 VAL A 117 7.343 -8.739 -4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 117 7.450 -6.964 -5.085 1.00 0.00 H new ATOM 1798 N PRO A 118 9.361 -9.489 -9.273 1.00 0.00 N ATOM 1799 CA PRO A 118 9.776 -9.759 -10.650 1.00 0.00 C ATOM 1800 C PRO A 118 8.581 -9.852 -11.617 1.00 0.00 C ATOM 1801 O PRO A 118 8.300 -10.916 -12.177 1.00 0.00 O ATOM 1802 CB PRO A 118 10.602 -11.051 -10.569 1.00 0.00 C ATOM 1803 CG PRO A 118 9.972 -11.798 -9.396 1.00 0.00 C ATOM 1804 CD PRO A 118 9.598 -10.663 -8.444 1.00 0.00 C ATOM 0 HA PRO A 118 10.369 -8.944 -11.066 1.00 0.00 H new ATOM 0 HB2 PRO A 118 10.540 -11.627 -11.492 1.00 0.00 H new ATOM 0 HB3 PRO A 118 11.658 -10.843 -10.393 1.00 0.00 H new ATOM 0 HG2 PRO A 118 9.099 -12.374 -9.703 1.00 0.00 H new ATOM 0 HG3 PRO A 118 10.671 -12.498 -8.938 1.00 0.00 H new ATOM 0 HD2 PRO A 118 8.708 -10.917 -7.868 1.00 0.00 H new ATOM 0 HD3 PRO A 118 10.399 -10.477 -7.728 1.00 0.00 H new ATOM 1812 N SER A 119 7.866 -8.746 -11.818 1.00 0.00 N ATOM 1813 CA SER A 119 6.731 -8.628 -12.736 1.00 0.00 C ATOM 1814 C SER A 119 6.833 -7.380 -13.632 1.00 0.00 C ATOM 1815 O SER A 119 5.912 -7.104 -14.408 1.00 0.00 O ATOM 1816 CB SER A 119 5.426 -8.635 -11.924 1.00 0.00 C ATOM 1817 OG SER A 119 5.201 -9.886 -11.305 1.00 0.00 O ATOM 0 H SER A 119 8.068 -7.874 -11.328 1.00 0.00 H new ATOM 0 HA SER A 119 6.740 -9.483 -13.412 1.00 0.00 H new ATOM 0 HB2 SER A 119 5.467 -7.855 -11.164 1.00 0.00 H new ATOM 0 HB3 SER A 119 4.588 -8.398 -12.580 1.00 0.00 H new ATOM 0 HG SER A 119 4.364 -9.853 -10.796 1.00 0.00 H new ATOM 1823 N GLY A 120 7.922 -6.610 -13.538 1.00 0.00 N ATOM 1824 CA GLY A 120 8.098 -5.315 -14.194 1.00 0.00 C ATOM 1825 C GLY A 120 7.113 -4.263 -13.661 1.00 0.00 C ATOM 1826 O GLY A 120 6.102 -4.629 -13.049 1.00 0.00 O ATOM 0 H GLY A 120 8.733 -6.883 -12.983 1.00 0.00 H new ATOM 0 HA2 GLY A 120 9.119 -4.966 -14.041 1.00 0.00 H new ATOM 0 HA3 GLY A 120 7.959 -5.431 -15.269 1.00 0.00 H new ATOM 1830 N PRO A 121 7.358 -2.967 -13.896 1.00 0.00 N ATOM 1831 CA PRO A 121 6.554 -1.886 -13.331 1.00 0.00 C ATOM 1832 C PRO A 121 5.144 -1.824 -13.950 1.00 0.00 C ATOM 1833 O PRO A 121 4.767 -2.660 -14.783 1.00 0.00 O ATOM 1834 CB PRO A 121 7.388 -0.622 -13.582 1.00 0.00 C ATOM 1835 CG PRO A 121 8.158 -0.947 -14.860 1.00 0.00 C ATOM 1836 CD PRO A 121 8.458 -2.435 -14.689 1.00 0.00 C ATOM 0 HA PRO A 121 6.354 -2.024 -12.268 1.00 0.00 H new ATOM 0 HB2 PRO A 121 6.756 0.257 -13.708 1.00 0.00 H new ATOM 0 HB3 PRO A 121 8.061 -0.414 -12.750 1.00 0.00 H new ATOM 0 HG2 PRO A 121 7.565 -0.752 -15.753 1.00 0.00 H new ATOM 0 HG3 PRO A 121 9.069 -0.356 -14.947 1.00 0.00 H new ATOM 0 HD2 PRO A 121 8.523 -2.935 -15.655 1.00 0.00 H new ATOM 0 HD3 PRO A 121 9.413 -2.587 -14.186 1.00 0.00 H new ATOM 1844 N SER A 122 4.340 -0.840 -13.543 1.00 0.00 N ATOM 1845 CA SER A 122 3.230 -0.400 -14.380 1.00 0.00 C ATOM 1846 C SER A 122 3.796 0.451 -15.522 1.00 0.00 C ATOM 1847 O SER A 122 4.866 1.042 -15.384 1.00 0.00 O ATOM 1848 CB SER A 122 2.223 0.412 -13.566 1.00 0.00 C ATOM 1849 OG SER A 122 1.780 -0.309 -12.433 1.00 0.00 O ATOM 0 H SER A 122 4.435 -0.343 -12.657 1.00 0.00 H new ATOM 0 HA SER A 122 2.708 -1.269 -14.780 1.00 0.00 H new ATOM 0 HB2 SER A 122 2.680 1.349 -13.248 1.00 0.00 H new ATOM 0 HB3 SER A 122 1.369 0.670 -14.192 1.00 0.00 H new ATOM 0 HG SER A 122 1.709 0.298 -11.667 1.00 0.00 H new ATOM 1855 N SER A 123 3.051 0.550 -16.618 1.00 0.00 N ATOM 1856 CA SER A 123 3.415 1.289 -17.817 1.00 0.00 C ATOM 1857 C SER A 123 2.393 2.405 -18.082 1.00 0.00 C ATOM 1858 O SER A 123 2.750 3.435 -18.655 1.00 0.00 O ATOM 1859 CB SER A 123 3.541 0.277 -18.964 1.00 0.00 C ATOM 1860 OG SER A 123 4.374 0.732 -20.007 1.00 0.00 O ATOM 0 H SER A 123 2.140 0.098 -16.696 1.00 0.00 H new ATOM 0 HA SER A 123 4.374 1.796 -17.707 1.00 0.00 H new ATOM 0 HB2 SER A 123 3.936 -0.661 -18.573 1.00 0.00 H new ATOM 0 HB3 SER A 123 2.550 0.063 -19.364 1.00 0.00 H new ATOM 0 HG SER A 123 4.421 0.050 -20.709 1.00 0.00 H new ATOM 1866 N GLY A 124 1.142 2.285 -17.611 1.00 0.00 N ATOM 1867 CA GLY A 124 0.144 3.356 -17.673 1.00 0.00 C ATOM 1868 C GLY A 124 -1.106 2.892 -18.385 1.00 0.00 C ATOM 1869 O GLY A 124 -0.990 2.237 -19.443 1.00 0.00 O ATOM 0 H GLY A 124 0.795 1.432 -17.173 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -0.108 3.682 -16.664 1.00 0.00 H new ATOM 0 HA3 GLY A 124 0.563 4.219 -18.191 1.00 0.00 H new TER 1873 GLY A 124