USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 728 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 27 GLN :FLIP amide:sc= -0.606 F(o=-17!,f=-10) USER MOD Set 1.2: A 32 TYR OH : rot 30:sc= 0.498 USER MOD Set 1.3: A 103 ASN :FLIP amide:sc= -10.3! C(o=-11!,f=-10!) USER MOD Set 2.1: A 37 CYS SG : rot -122:sc= -6.57! USER MOD Set 2.2: A 47 CYS SG : rot -57:sc= -5.58! USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -2.04! USER MOD Single : A 8 THR OG1 : rot 180:sc= -5.93! USER MOD Single : A 10 SER OG : rot 60:sc= 0.00112 USER MOD Single : A 11 SER OG : rot -7:sc= 0.934 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0217) USER MOD Single : A 30 THR OG1 : rot -160:sc= -0.0392 USER MOD Single : A 36 GLN : amide:sc= -11.6! C(o=-12!,f=-17!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN :FLIP amide:sc= -10.2! C(o=-11!,f=-10!) USER MOD Single : A 53 SER OG : rot -100:sc= -0.164 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 143:sc= -1.15 USER MOD Single : A 64 SER OG : rot -25:sc= 0.735! USER MOD Single : A 65 THR OG1 : rot -166:sc= -0.796 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 140:sc= -0.258 USER MOD Single : A 72 SER OG : rot 50:sc= -0.879 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 98:sc= 0.066 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0163 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.0502 K(o=-0.05,f=-1.4) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN :FLIP amide:sc= -5.97! C(o=-8.2!,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.861 14.379 -5.867 1.00 0.00 N ATOM 2 CA ALA A 1 2.250 14.206 -6.241 1.00 0.00 C ATOM 3 C ALA A 1 2.941 13.284 -5.246 1.00 0.00 C ATOM 4 O ALA A 1 3.224 13.684 -4.119 1.00 0.00 O ATOM 5 CB ALA A 1 2.938 15.567 -6.284 1.00 0.00 C ATOM 0 H1 ALA A 1 0.394 15.009 -6.550 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.384 13.455 -5.866 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.807 14.797 -4.916 1.00 0.00 H new ATOM 0 HA ALA A 1 2.310 13.752 -7.230 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.983 15.438 -6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.441 16.203 -7.017 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.882 16.034 -5.301 1.00 0.00 H new ATOM 11 N ALA A 2 3.210 12.045 -5.665 1.00 0.00 N ATOM 12 CA ALA A 2 3.863 11.074 -4.811 1.00 0.00 C ATOM 13 C ALA A 2 5.151 11.663 -4.252 1.00 0.00 C ATOM 14 O ALA A 2 6.058 12.006 -5.007 1.00 0.00 O ATOM 15 CB ALA A 2 4.150 9.807 -5.610 1.00 0.00 C ATOM 0 H ALA A 2 2.981 11.698 -6.596 1.00 0.00 H new ATOM 0 HA ALA A 2 3.210 10.821 -3.976 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.641 9.076 -4.968 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.214 9.392 -5.982 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.800 10.047 -6.451 1.00 0.00 H new ATOM 21 N PRO A 3 5.229 11.779 -2.924 1.00 0.00 N ATOM 22 CA PRO A 3 6.373 12.314 -2.218 1.00 0.00 C ATOM 23 C PRO A 3 7.518 11.313 -2.268 1.00 0.00 C ATOM 24 O PRO A 3 7.418 10.285 -2.935 1.00 0.00 O ATOM 25 CB PRO A 3 5.888 12.519 -0.785 1.00 0.00 C ATOM 26 CG PRO A 3 4.832 11.427 -0.626 1.00 0.00 C ATOM 27 CD PRO A 3 4.182 11.386 -2.007 1.00 0.00 C ATOM 0 HA PRO A 3 6.743 13.243 -2.652 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.698 12.407 -0.064 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.467 13.514 -0.639 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.277 10.469 -0.359 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.111 11.671 0.154 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.809 10.388 -2.238 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.332 12.066 -2.064 1.00 0.00 H new ATOM 35 N THR A 4 8.610 11.614 -1.562 1.00 0.00 N ATOM 36 CA THR A 4 9.764 10.738 -1.533 1.00 0.00 C ATOM 37 C THR A 4 9.740 9.890 -0.270 1.00 0.00 C ATOM 38 O THR A 4 9.911 10.406 0.832 1.00 0.00 O ATOM 39 CB THR A 4 11.038 11.575 -1.598 1.00 0.00 C ATOM 40 OG1 THR A 4 12.161 10.735 -1.450 1.00 0.00 O ATOM 41 CG2 THR A 4 11.026 12.609 -0.475 1.00 0.00 C ATOM 0 H THR A 4 8.711 12.462 -1.004 1.00 0.00 H new ATOM 0 HA THR A 4 9.738 10.070 -2.394 1.00 0.00 H new ATOM 0 HB THR A 4 11.089 12.084 -2.561 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.979 11.272 -1.493 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.936 13.207 -0.521 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.158 13.259 -0.588 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.975 12.100 0.488 1.00 0.00 H new ATOM 49 N ALA A 5 9.528 8.582 -0.433 1.00 0.00 N ATOM 50 CA ALA A 5 9.482 7.669 0.691 1.00 0.00 C ATOM 51 C ALA A 5 10.441 6.511 0.454 1.00 0.00 C ATOM 52 O ALA A 5 10.719 6.156 -0.689 1.00 0.00 O ATOM 53 CB ALA A 5 8.055 7.159 0.873 1.00 0.00 C ATOM 0 H ALA A 5 9.386 8.138 -1.340 1.00 0.00 H new ATOM 0 HA ALA A 5 9.787 8.189 1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.019 6.472 1.718 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.389 8.001 1.061 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.736 6.639 -0.031 1.00 0.00 H new ATOM 59 N THR A 6 10.949 5.922 1.540 1.00 0.00 N ATOM 60 CA THR A 6 11.873 4.810 1.440 1.00 0.00 C ATOM 61 C THR A 6 11.194 3.529 1.905 1.00 0.00 C ATOM 62 O THR A 6 10.867 3.388 3.081 1.00 0.00 O ATOM 63 CB THR A 6 13.111 5.102 2.283 1.00 0.00 C ATOM 64 OG1 THR A 6 12.735 5.818 3.438 1.00 0.00 O ATOM 65 CG2 THR A 6 14.097 5.934 1.468 1.00 0.00 C ATOM 0 H THR A 6 10.730 6.204 2.496 1.00 0.00 H new ATOM 0 HA THR A 6 12.178 4.679 0.402 1.00 0.00 H new ATOM 0 HB THR A 6 13.582 4.163 2.574 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.530 6.004 3.980 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.981 6.143 2.070 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.388 5.381 0.575 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.627 6.873 1.176 1.00 0.00 H new ATOM 73 N VAL A 7 10.984 2.594 0.975 1.00 0.00 N ATOM 74 CA VAL A 7 10.348 1.331 1.291 1.00 0.00 C ATOM 75 C VAL A 7 11.365 0.203 1.194 1.00 0.00 C ATOM 76 O VAL A 7 12.279 0.258 0.374 1.00 0.00 O ATOM 77 CB VAL A 7 9.184 1.095 0.333 1.00 0.00 C ATOM 78 CG1 VAL A 7 8.439 -0.173 0.739 1.00 0.00 C ATOM 79 CG2 VAL A 7 8.230 2.285 0.388 1.00 0.00 C ATOM 0 H VAL A 7 11.250 2.697 -0.004 1.00 0.00 H new ATOM 0 HA VAL A 7 9.962 1.358 2.310 1.00 0.00 H new ATOM 0 HB VAL A 7 9.566 0.982 -0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.608 -0.341 0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.120 -1.023 0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.057 -0.061 1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.398 2.117 -0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.848 2.398 1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.761 3.191 0.097 1.00 0.00 H new ATOM 89 N THR A 8 11.205 -0.822 2.033 1.00 0.00 N ATOM 90 CA THR A 8 12.110 -1.954 2.033 1.00 0.00 C ATOM 91 C THR A 8 11.954 -2.742 0.741 1.00 0.00 C ATOM 92 O THR A 8 11.091 -2.434 -0.078 1.00 0.00 O ATOM 93 CB THR A 8 11.818 -2.837 3.243 1.00 0.00 C ATOM 94 OG1 THR A 8 13.032 -3.314 3.780 1.00 0.00 O ATOM 95 CG2 THR A 8 10.953 -4.019 2.814 1.00 0.00 C ATOM 0 H THR A 8 10.453 -0.884 2.719 1.00 0.00 H new ATOM 0 HA THR A 8 13.139 -1.600 2.096 1.00 0.00 H new ATOM 0 HB THR A 8 11.289 -2.255 3.998 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.846 -3.880 4.558 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.744 -4.650 3.678 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.015 -3.651 2.398 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.481 -4.601 2.059 1.00 0.00 H new ATOM 103 N PRO A 9 12.794 -3.764 0.559 1.00 0.00 N ATOM 104 CA PRO A 9 12.793 -4.624 -0.604 1.00 0.00 C ATOM 105 C PRO A 9 11.577 -5.539 -0.562 1.00 0.00 C ATOM 106 O PRO A 9 11.447 -6.360 0.342 1.00 0.00 O ATOM 107 CB PRO A 9 14.087 -5.428 -0.498 1.00 0.00 C ATOM 108 CG PRO A 9 14.307 -5.517 1.012 1.00 0.00 C ATOM 109 CD PRO A 9 13.820 -4.155 1.501 1.00 0.00 C ATOM 0 HA PRO A 9 12.742 -4.070 -1.541 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.989 -6.414 -0.951 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.916 -4.928 -0.999 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.739 -6.334 1.457 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.355 -5.685 1.260 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.422 -4.218 2.514 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.633 -3.430 1.523 1.00 0.00 H new ATOM 117 N SER A 10 10.685 -5.393 -1.545 1.00 0.00 N ATOM 118 CA SER A 10 9.486 -6.205 -1.613 1.00 0.00 C ATOM 119 C SER A 10 9.574 -7.156 -2.799 1.00 0.00 C ATOM 120 O SER A 10 8.603 -7.326 -3.534 1.00 0.00 O ATOM 121 CB SER A 10 8.265 -5.298 -1.736 1.00 0.00 C ATOM 122 OG SER A 10 8.525 -4.286 -2.682 1.00 0.00 O ATOM 0 H SER A 10 10.779 -4.716 -2.302 1.00 0.00 H new ATOM 0 HA SER A 10 9.391 -6.798 -0.703 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.395 -5.880 -2.040 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.029 -4.855 -0.769 1.00 0.00 H new ATOM 0 HG SER A 10 8.713 -4.693 -3.553 1.00 0.00 H new ATOM 128 N SER A 11 10.741 -7.777 -2.983 1.00 0.00 N ATOM 129 CA SER A 11 10.947 -8.707 -4.075 1.00 0.00 C ATOM 130 C SER A 11 11.414 -10.049 -3.530 1.00 0.00 C ATOM 131 O SER A 11 12.567 -10.190 -3.127 1.00 0.00 O ATOM 132 CB SER A 11 11.974 -8.130 -5.046 1.00 0.00 C ATOM 133 OG SER A 11 13.269 -8.297 -4.514 1.00 0.00 O ATOM 0 H SER A 11 11.555 -7.646 -2.383 1.00 0.00 H new ATOM 0 HA SER A 11 10.009 -8.862 -4.608 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.899 -8.630 -6.012 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.774 -7.073 -5.218 1.00 0.00 H new ATOM 0 HG SER A 11 13.205 -8.644 -3.600 1.00 0.00 H new ATOM 139 N GLY A 12 10.516 -11.036 -3.518 1.00 0.00 N ATOM 140 CA GLY A 12 10.845 -12.358 -3.023 1.00 0.00 C ATOM 141 C GLY A 12 10.440 -12.490 -1.561 1.00 0.00 C ATOM 142 O GLY A 12 11.071 -13.224 -0.803 1.00 0.00 O ATOM 0 H GLY A 12 9.556 -10.936 -3.848 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.334 -13.114 -3.619 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.915 -12.538 -3.129 1.00 0.00 H new ATOM 146 N LEU A 13 9.384 -11.774 -1.166 1.00 0.00 N ATOM 147 CA LEU A 13 8.901 -11.814 0.199 1.00 0.00 C ATOM 148 C LEU A 13 7.551 -12.514 0.249 1.00 0.00 C ATOM 149 O LEU A 13 6.646 -12.179 -0.512 1.00 0.00 O ATOM 150 CB LEU A 13 8.792 -10.391 0.741 1.00 0.00 C ATOM 151 CG LEU A 13 9.880 -9.524 0.115 1.00 0.00 C ATOM 152 CD1 LEU A 13 10.208 -8.364 1.050 1.00 0.00 C ATOM 153 CD2 LEU A 13 11.133 -10.365 -0.113 1.00 0.00 C ATOM 0 H LEU A 13 8.851 -11.160 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 13 9.601 -12.373 0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.809 -9.979 0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.894 -10.395 1.826 1.00 0.00 H new ATOM 0 HG LEU A 13 9.528 -9.132 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.985 -7.745 0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.313 -7.763 1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.560 -8.755 2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.910 -9.746 -0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.486 -10.758 0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.899 -11.193 -0.782 1.00 0.00 H new ATOM 165 N SER A 14 7.416 -13.491 1.150 1.00 0.00 N ATOM 166 CA SER A 14 6.179 -14.231 1.294 1.00 0.00 C ATOM 167 C SER A 14 5.545 -13.919 2.642 1.00 0.00 C ATOM 168 O SER A 14 6.115 -13.181 3.443 1.00 0.00 O ATOM 169 CB SER A 14 6.462 -15.724 1.162 1.00 0.00 C ATOM 170 OG SER A 14 7.400 -15.935 0.130 1.00 0.00 O ATOM 0 H SER A 14 8.156 -13.782 1.788 1.00 0.00 H new ATOM 0 HA SER A 14 5.481 -13.936 0.510 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.846 -16.117 2.103 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.539 -16.262 0.945 1.00 0.00 H new ATOM 0 HG SER A 14 7.584 -16.894 0.046 1.00 0.00 H new ATOM 176 N ASP A 15 4.362 -14.484 2.892 1.00 0.00 N ATOM 177 CA ASP A 15 3.658 -14.264 4.140 1.00 0.00 C ATOM 178 C ASP A 15 4.629 -14.379 5.306 1.00 0.00 C ATOM 179 O ASP A 15 5.484 -15.262 5.319 1.00 0.00 O ATOM 180 CB ASP A 15 2.530 -15.284 4.273 1.00 0.00 C ATOM 181 CG ASP A 15 1.543 -14.865 5.353 1.00 0.00 C ATOM 182 OD1 ASP A 15 1.852 -13.874 6.050 1.00 0.00 O ATOM 183 OD2 ASP A 15 0.498 -15.543 5.461 1.00 0.00 O ATOM 0 H ASP A 15 3.876 -15.098 2.239 1.00 0.00 H new ATOM 0 HA ASP A 15 3.228 -13.263 4.148 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.011 -15.385 3.320 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.946 -16.262 4.514 1.00 0.00 H new ATOM 188 N GLY A 16 4.496 -13.484 6.288 1.00 0.00 N ATOM 189 CA GLY A 16 5.364 -13.494 7.448 1.00 0.00 C ATOM 190 C GLY A 16 6.378 -12.362 7.358 1.00 0.00 C ATOM 191 O GLY A 16 6.913 -11.923 8.374 1.00 0.00 O ATOM 0 H GLY A 16 3.792 -12.746 6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.770 -13.388 8.356 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.882 -14.451 7.515 1.00 0.00 H new ATOM 195 N THR A 17 6.643 -11.891 6.138 1.00 0.00 N ATOM 196 CA THR A 17 7.590 -10.816 5.926 1.00 0.00 C ATOM 197 C THR A 17 6.881 -9.473 6.023 1.00 0.00 C ATOM 198 O THR A 17 5.688 -9.376 5.745 1.00 0.00 O ATOM 199 CB THR A 17 8.249 -10.981 4.559 1.00 0.00 C ATOM 200 OG1 THR A 17 9.068 -12.129 4.568 1.00 0.00 O ATOM 201 CG2 THR A 17 9.100 -9.752 4.252 1.00 0.00 C ATOM 0 H THR A 17 6.209 -12.244 5.285 1.00 0.00 H new ATOM 0 HA THR A 17 8.362 -10.852 6.695 1.00 0.00 H new ATOM 0 HB THR A 17 7.479 -11.089 3.795 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.490 -12.237 3.690 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.571 -9.870 3.276 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.468 -8.864 4.245 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.870 -9.643 5.015 1.00 0.00 H new ATOM 209 N VAL A 18 7.620 -8.434 6.420 1.00 0.00 N ATOM 210 CA VAL A 18 7.061 -7.104 6.552 1.00 0.00 C ATOM 211 C VAL A 18 7.935 -6.102 5.811 1.00 0.00 C ATOM 212 O VAL A 18 9.157 -6.129 5.938 1.00 0.00 O ATOM 213 CB VAL A 18 6.957 -6.741 8.030 1.00 0.00 C ATOM 214 CG1 VAL A 18 8.350 -6.732 8.652 1.00 0.00 C ATOM 215 CG2 VAL A 18 6.328 -5.358 8.171 1.00 0.00 C ATOM 0 H VAL A 18 8.611 -8.498 6.654 1.00 0.00 H new ATOM 0 HA VAL A 18 6.063 -7.080 6.114 1.00 0.00 H new ATOM 0 HB VAL A 18 6.336 -7.477 8.541 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.275 -6.473 9.708 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.800 -7.720 8.552 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.972 -5.997 8.141 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.253 -5.098 9.227 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.948 -4.622 7.659 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.332 -5.364 7.728 1.00 0.00 H new ATOM 225 N VAL A 19 7.306 -5.216 5.036 1.00 0.00 N ATOM 226 CA VAL A 19 8.027 -4.212 4.280 1.00 0.00 C ATOM 227 C VAL A 19 8.075 -2.911 5.068 1.00 0.00 C ATOM 228 O VAL A 19 7.346 -2.747 6.043 1.00 0.00 O ATOM 229 CB VAL A 19 7.343 -4.003 2.932 1.00 0.00 C ATOM 230 CG1 VAL A 19 7.232 -5.340 2.204 1.00 0.00 C ATOM 231 CG2 VAL A 19 5.948 -3.427 3.154 1.00 0.00 C ATOM 0 H VAL A 19 6.293 -5.181 4.921 1.00 0.00 H new ATOM 0 HA VAL A 19 9.050 -4.546 4.105 1.00 0.00 H new ATOM 0 HB VAL A 19 7.931 -3.310 2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.743 -5.191 1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.229 -5.752 2.045 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.644 -6.034 2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.459 -3.277 2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.360 -4.120 3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.027 -2.472 3.673 1.00 0.00 H new ATOM 241 N LYS A 20 8.938 -1.985 4.643 1.00 0.00 N ATOM 242 CA LYS A 20 9.075 -0.707 5.311 1.00 0.00 C ATOM 243 C LYS A 20 8.622 0.413 4.385 1.00 0.00 C ATOM 244 O LYS A 20 8.842 0.351 3.177 1.00 0.00 O ATOM 245 CB LYS A 20 10.529 -0.505 5.729 1.00 0.00 C ATOM 246 CG LYS A 20 10.576 0.119 7.121 1.00 0.00 C ATOM 247 CD LYS A 20 10.405 1.631 7.007 1.00 0.00 C ATOM 248 CE LYS A 20 11.398 2.327 7.934 1.00 0.00 C ATOM 249 NZ LYS A 20 12.537 2.868 7.176 1.00 0.00 N ATOM 0 H LYS A 20 9.550 -2.106 3.836 1.00 0.00 H new ATOM 0 HA LYS A 20 8.447 -0.691 6.202 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.055 -1.460 5.729 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.038 0.139 5.013 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.788 -0.301 7.746 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.525 -0.115 7.604 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.568 1.949 5.977 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.386 1.913 7.271 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.897 3.133 8.470 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.757 1.622 8.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.154 3.409 7.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 13.076 2.085 6.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.187 3.493 6.422 1.00 0.00 H new ATOM 263 N VAL A 21 7.985 1.439 4.954 1.00 0.00 N ATOM 264 CA VAL A 21 7.503 2.565 4.180 1.00 0.00 C ATOM 265 C VAL A 21 7.762 3.859 4.938 1.00 0.00 C ATOM 266 O VAL A 21 7.061 4.169 5.899 1.00 0.00 O ATOM 267 CB VAL A 21 6.013 2.390 3.901 1.00 0.00 C ATOM 268 CG1 VAL A 21 5.800 2.135 2.412 1.00 0.00 C ATOM 269 CG2 VAL A 21 5.482 1.204 4.702 1.00 0.00 C ATOM 0 H VAL A 21 7.795 1.505 5.954 1.00 0.00 H new ATOM 0 HA VAL A 21 8.033 2.612 3.229 1.00 0.00 H new ATOM 0 HB VAL A 21 5.480 3.294 4.194 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.736 2.010 2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.179 2.982 1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.333 1.231 2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.418 1.078 4.503 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.015 0.299 4.409 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.633 1.386 5.766 1.00 0.00 H new ATOM 279 N ALA A 22 8.773 4.616 4.503 1.00 0.00 N ATOM 280 CA ALA A 22 9.119 5.869 5.142 1.00 0.00 C ATOM 281 C ALA A 22 8.976 7.012 4.146 1.00 0.00 C ATOM 282 O ALA A 22 9.700 7.068 3.155 1.00 0.00 O ATOM 283 CB ALA A 22 10.547 5.791 5.674 1.00 0.00 C ATOM 0 H ALA A 22 9.363 4.373 3.707 1.00 0.00 H new ATOM 0 HA ALA A 22 8.444 6.054 5.978 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.808 6.734 6.155 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.621 4.981 6.399 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.233 5.603 4.848 1.00 0.00 H new ATOM 289 N GLY A 23 8.039 7.924 4.411 1.00 0.00 N ATOM 290 CA GLY A 23 7.810 9.056 3.535 1.00 0.00 C ATOM 291 C GLY A 23 8.799 10.171 3.845 1.00 0.00 C ATOM 292 O GLY A 23 9.155 10.386 5.001 1.00 0.00 O ATOM 0 H GLY A 23 7.430 7.894 5.228 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.914 8.747 2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.790 9.420 3.659 1.00 0.00 H new ATOM 296 N ALA A 24 9.244 10.881 2.805 1.00 0.00 N ATOM 297 CA ALA A 24 10.190 11.966 2.969 1.00 0.00 C ATOM 298 C ALA A 24 9.812 13.122 2.053 1.00 0.00 C ATOM 299 O ALA A 24 9.988 13.038 0.840 1.00 0.00 O ATOM 300 CB ALA A 24 11.597 11.466 2.655 1.00 0.00 C ATOM 0 H ALA A 24 8.957 10.716 1.840 1.00 0.00 H new ATOM 0 HA ALA A 24 10.167 12.321 3.999 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.309 12.282 2.778 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.855 10.654 3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.634 11.105 1.627 1.00 0.00 H new ATOM 306 N GLY A 25 9.290 14.203 2.637 1.00 0.00 N ATOM 307 CA GLY A 25 8.891 15.365 1.868 1.00 0.00 C ATOM 308 C GLY A 25 7.376 15.409 1.725 1.00 0.00 C ATOM 309 O GLY A 25 6.853 16.073 0.833 1.00 0.00 O ATOM 0 H GLY A 25 9.137 14.290 3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.243 16.273 2.358 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.355 15.334 0.882 1.00 0.00 H new ATOM 313 N LEU A 26 6.672 14.698 2.609 1.00 0.00 N ATOM 314 CA LEU A 26 5.223 14.658 2.578 1.00 0.00 C ATOM 315 C LEU A 26 4.658 15.795 3.417 1.00 0.00 C ATOM 316 O LEU A 26 5.401 16.658 3.880 1.00 0.00 O ATOM 317 CB LEU A 26 4.741 13.309 3.101 1.00 0.00 C ATOM 318 CG LEU A 26 5.819 12.256 2.863 1.00 0.00 C ATOM 319 CD1 LEU A 26 5.167 10.886 2.703 1.00 0.00 C ATOM 320 CD2 LEU A 26 6.597 12.602 1.596 1.00 0.00 C ATOM 0 H LEU A 26 7.092 14.143 3.355 1.00 0.00 H new ATOM 0 HA LEU A 26 4.874 14.781 1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.515 13.379 4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.818 13.020 2.597 1.00 0.00 H new ATOM 0 HG LEU A 26 6.501 12.235 3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.937 10.134 2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.612 10.639 3.608 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.485 10.905 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.367 11.850 1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.916 12.623 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.064 13.580 1.711 1.00 0.00 H new ATOM 332 N GLN A 27 3.337 15.794 3.614 1.00 0.00 N ATOM 333 CA GLN A 27 2.680 16.824 4.394 1.00 0.00 C ATOM 334 C GLN A 27 3.008 16.642 5.869 1.00 0.00 C ATOM 335 O GLN A 27 2.727 15.593 6.445 1.00 0.00 O ATOM 336 CB GLN A 27 1.174 16.752 4.162 1.00 0.00 C ATOM 337 CG GLN A 27 0.850 17.252 2.757 1.00 0.00 C ATOM 338 CD GLN A 27 -0.620 17.034 2.428 1.00 0.00 C ATOM 339 OE1 GLN A 27 -1.058 15.773 2.452 1.00 0.00 O flip ATOM 340 NE2 GLN A 27 -1.346 17.988 2.158 1.00 0.00 N flip ATOM 0 H GLN A 27 2.707 15.085 3.239 1.00 0.00 H new ATOM 0 HA GLN A 27 3.036 17.806 4.082 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.825 15.726 4.284 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.652 17.356 4.904 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.091 18.312 2.680 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.471 16.730 2.029 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.964 18.934 2.153 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.330 17.834 1.939 1.00 0.00 H new ATOM 349 N ALA A 28 3.603 17.668 6.481 1.00 0.00 N ATOM 350 CA ALA A 28 3.966 17.616 7.883 1.00 0.00 C ATOM 351 C ALA A 28 2.715 17.723 8.743 1.00 0.00 C ATOM 352 O ALA A 28 1.865 18.577 8.502 1.00 0.00 O ATOM 353 CB ALA A 28 4.938 18.750 8.198 1.00 0.00 C ATOM 0 H ALA A 28 3.841 18.545 6.018 1.00 0.00 H new ATOM 0 HA ALA A 28 4.453 16.666 8.102 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.212 18.712 9.252 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.834 18.642 7.586 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.463 19.707 7.981 1.00 0.00 H new ATOM 359 N GLY A 29 2.603 16.854 9.751 1.00 0.00 N ATOM 360 CA GLY A 29 1.457 16.859 10.637 1.00 0.00 C ATOM 361 C GLY A 29 0.234 16.305 9.920 1.00 0.00 C ATOM 362 O GLY A 29 -0.877 16.366 10.443 1.00 0.00 O ATOM 0 H GLY A 29 3.299 16.140 9.967 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.670 16.260 11.522 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.258 17.874 10.979 1.00 0.00 H new ATOM 366 N THR A 30 0.439 15.762 8.718 1.00 0.00 N ATOM 367 CA THR A 30 -0.647 15.201 7.940 1.00 0.00 C ATOM 368 C THR A 30 -0.736 13.701 8.179 1.00 0.00 C ATOM 369 O THR A 30 0.284 13.017 8.236 1.00 0.00 O ATOM 370 CB THR A 30 -0.419 15.500 6.461 1.00 0.00 C ATOM 371 OG1 THR A 30 -1.381 16.430 6.016 1.00 0.00 O ATOM 372 CG2 THR A 30 -0.548 14.210 5.655 1.00 0.00 C ATOM 0 H THR A 30 1.353 15.703 8.269 1.00 0.00 H new ATOM 0 HA THR A 30 -1.590 15.653 8.249 1.00 0.00 H new ATOM 0 HB THR A 30 0.579 15.916 6.324 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.450 16.388 5.039 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.385 14.423 4.599 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.195 13.490 5.999 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.546 13.794 5.792 1.00 0.00 H new ATOM 380 N ALA A 31 -1.961 13.190 8.319 1.00 0.00 N ATOM 381 CA ALA A 31 -2.178 11.776 8.552 1.00 0.00 C ATOM 382 C ALA A 31 -2.190 11.031 7.225 1.00 0.00 C ATOM 383 O ALA A 31 -2.548 11.599 6.195 1.00 0.00 O ATOM 384 CB ALA A 31 -3.496 11.580 9.295 1.00 0.00 C ATOM 0 H ALA A 31 -2.816 13.744 8.273 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.369 11.375 9.163 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.660 10.517 9.471 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.457 12.104 10.250 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.314 11.979 8.696 1.00 0.00 H new ATOM 390 N TYR A 32 -1.798 9.755 7.250 1.00 0.00 N ATOM 391 CA TYR A 32 -1.765 8.943 6.051 1.00 0.00 C ATOM 392 C TYR A 32 -2.313 7.555 6.352 1.00 0.00 C ATOM 393 O TYR A 32 -2.185 7.064 7.471 1.00 0.00 O ATOM 394 CB TYR A 32 -0.331 8.859 5.535 1.00 0.00 C ATOM 395 CG TYR A 32 0.141 10.123 4.857 1.00 0.00 C ATOM 396 CD1 TYR A 32 -0.499 10.576 3.698 1.00 0.00 C ATOM 397 CD2 TYR A 32 1.218 10.842 5.389 1.00 0.00 C ATOM 398 CE1 TYR A 32 -0.061 11.748 3.069 1.00 0.00 C ATOM 399 CE2 TYR A 32 1.656 12.013 4.761 1.00 0.00 C ATOM 400 CZ TYR A 32 1.017 12.467 3.601 1.00 0.00 C ATOM 401 OH TYR A 32 1.444 13.608 2.989 1.00 0.00 O ATOM 0 H TYR A 32 -1.500 9.269 8.095 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.388 9.398 5.281 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.334 8.633 6.369 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.254 8.029 4.833 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.331 10.022 3.289 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.711 10.493 6.284 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.554 12.097 2.174 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.487 12.567 5.171 1.00 0.00 H new ATOM 0 HH TYR A 32 0.688 14.041 2.541 1.00 0.00 H new ATOM 411 N ASP A 33 -2.924 6.922 5.348 1.00 0.00 N ATOM 412 CA ASP A 33 -3.487 5.597 5.510 1.00 0.00 C ATOM 413 C ASP A 33 -2.708 4.599 4.665 1.00 0.00 C ATOM 414 O ASP A 33 -2.726 4.674 3.439 1.00 0.00 O ATOM 415 CB ASP A 33 -4.958 5.617 5.104 1.00 0.00 C ATOM 416 CG ASP A 33 -5.847 5.931 6.298 1.00 0.00 C ATOM 417 OD1 ASP A 33 -5.715 5.209 7.310 1.00 0.00 O ATOM 418 OD2 ASP A 33 -6.643 6.887 6.177 1.00 0.00 O ATOM 0 H ASP A 33 -3.037 7.315 4.414 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.416 5.293 6.554 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.114 6.362 4.324 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.236 4.651 4.683 1.00 0.00 H new ATOM 423 N VAL A 34 -2.021 3.663 5.325 1.00 0.00 N ATOM 424 CA VAL A 34 -1.240 2.657 4.634 1.00 0.00 C ATOM 425 C VAL A 34 -2.016 1.349 4.582 1.00 0.00 C ATOM 426 O VAL A 34 -2.744 1.019 5.516 1.00 0.00 O ATOM 427 CB VAL A 34 0.093 2.468 5.351 1.00 0.00 C ATOM 428 CG1 VAL A 34 1.163 2.068 4.339 1.00 0.00 C ATOM 429 CG2 VAL A 34 0.496 3.775 6.028 1.00 0.00 C ATOM 0 H VAL A 34 -1.996 3.589 6.342 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.044 2.981 3.612 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.007 1.685 6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.116 1.933 4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.875 1.135 3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.263 2.851 3.587 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.449 3.641 6.541 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.596 4.558 5.277 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.268 4.061 6.751 1.00 0.00 H new ATOM 439 N GLY A 35 -1.859 0.601 3.487 1.00 0.00 N ATOM 440 CA GLY A 35 -2.545 -0.665 3.325 1.00 0.00 C ATOM 441 C GLY A 35 -1.966 -1.432 2.145 1.00 0.00 C ATOM 442 O GLY A 35 -1.187 -0.885 1.368 1.00 0.00 O ATOM 0 H GLY A 35 -1.260 0.859 2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.449 -1.257 4.235 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.610 -0.492 3.168 1.00 0.00 H new ATOM 446 N GLN A 36 -2.350 -2.704 2.012 1.00 0.00 N ATOM 447 CA GLN A 36 -1.867 -3.538 0.930 1.00 0.00 C ATOM 448 C GLN A 36 -3.018 -3.893 -0.001 1.00 0.00 C ATOM 449 O GLN A 36 -3.864 -4.716 0.340 1.00 0.00 O ATOM 450 CB GLN A 36 -1.231 -4.799 1.508 1.00 0.00 C ATOM 451 CG GLN A 36 -0.999 -5.811 0.390 1.00 0.00 C ATOM 452 CD GLN A 36 -0.495 -7.134 0.950 1.00 0.00 C ATOM 453 OE1 GLN A 36 -1.067 -7.666 1.899 1.00 0.00 O ATOM 454 NE2 GLN A 36 0.579 -7.663 0.361 1.00 0.00 N ATOM 0 H GLN A 36 -2.997 -3.172 2.647 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.115 -2.997 0.355 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.286 -4.553 1.992 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.879 -5.228 2.273 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.928 -5.973 -0.157 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.275 -5.413 -0.321 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.019 -7.183 -0.424 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.960 -8.548 0.696 1.00 0.00 H new ATOM 463 N CYS A 37 -3.046 -3.270 -1.181 1.00 0.00 N ATOM 464 CA CYS A 37 -4.089 -3.522 -2.155 1.00 0.00 C ATOM 465 C CYS A 37 -3.520 -4.310 -3.326 1.00 0.00 C ATOM 466 O CYS A 37 -2.361 -4.130 -3.693 1.00 0.00 O ATOM 467 CB CYS A 37 -4.673 -2.194 -2.629 1.00 0.00 C ATOM 468 SG CYS A 37 -4.536 -0.856 -1.418 1.00 0.00 S ATOM 0 H CYS A 37 -2.351 -2.585 -1.478 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.885 -4.111 -1.699 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -4.167 -1.893 -3.546 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.724 -2.339 -2.878 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.721 -0.400 -1.140 1.00 0.00 H new ATOM 473 N ALA A 38 -4.340 -5.186 -3.913 1.00 0.00 N ATOM 474 CA ALA A 38 -3.914 -5.996 -5.037 1.00 0.00 C ATOM 475 C ALA A 38 -4.882 -5.816 -6.197 1.00 0.00 C ATOM 476 O ALA A 38 -6.094 -5.784 -5.998 1.00 0.00 O ATOM 477 CB ALA A 38 -3.848 -7.460 -4.610 1.00 0.00 C ATOM 0 H ALA A 38 -5.304 -5.346 -3.621 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.923 -5.681 -5.364 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.528 -8.071 -5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.136 -7.569 -3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.833 -7.787 -4.278 1.00 0.00 H new ATOM 483 N TRP A 39 -4.344 -5.698 -7.414 1.00 0.00 N ATOM 484 CA TRP A 39 -5.165 -5.523 -8.595 1.00 0.00 C ATOM 485 C TRP A 39 -6.007 -6.769 -8.830 1.00 0.00 C ATOM 486 O TRP A 39 -5.469 -7.857 -9.021 1.00 0.00 O ATOM 487 CB TRP A 39 -4.270 -5.240 -9.798 1.00 0.00 C ATOM 488 CG TRP A 39 -4.766 -5.793 -11.096 1.00 0.00 C ATOM 489 CD1 TRP A 39 -6.064 -5.963 -11.426 1.00 0.00 C ATOM 490 CD2 TRP A 39 -3.998 -6.253 -12.249 1.00 0.00 C ATOM 491 NE1 TRP A 39 -6.152 -6.494 -12.695 1.00 0.00 N ATOM 492 CE2 TRP A 39 -4.905 -6.694 -13.250 1.00 0.00 C ATOM 493 CE3 TRP A 39 -2.627 -6.344 -12.552 1.00 0.00 C ATOM 494 CZ2 TRP A 39 -4.478 -7.196 -14.483 1.00 0.00 C ATOM 495 CZ3 TRP A 39 -2.188 -6.847 -13.785 1.00 0.00 C ATOM 496 CH2 TRP A 39 -3.108 -7.273 -14.750 1.00 0.00 C ATOM 0 H TRP A 39 -3.341 -5.722 -7.598 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.838 -4.677 -8.452 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.154 -4.161 -9.900 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -3.280 -5.650 -9.600 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.905 -5.720 -10.793 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -7.030 -6.712 -13.165 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.900 -6.021 -11.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.198 -7.520 -15.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -1.130 -6.906 -13.992 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -2.761 -7.660 -15.697 1.00 0.00 H new ATOM 507 N VAL A 40 -7.332 -6.606 -8.816 1.00 0.00 N ATOM 508 CA VAL A 40 -8.241 -7.715 -9.027 1.00 0.00 C ATOM 509 C VAL A 40 -8.752 -7.696 -10.460 1.00 0.00 C ATOM 510 O VAL A 40 -8.832 -8.738 -11.106 1.00 0.00 O ATOM 511 CB VAL A 40 -9.399 -7.617 -8.038 1.00 0.00 C ATOM 512 CG1 VAL A 40 -8.951 -8.139 -6.676 1.00 0.00 C ATOM 513 CG2 VAL A 40 -9.834 -6.160 -7.907 1.00 0.00 C ATOM 0 H VAL A 40 -7.792 -5.709 -8.659 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.718 -8.657 -8.861 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.236 -8.215 -8.398 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.778 -8.069 -5.970 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.641 -9.180 -6.769 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.114 -7.542 -6.315 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.661 -6.089 -7.201 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.997 -5.561 -7.547 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.155 -5.787 -8.880 1.00 0.00 H new ATOM 523 N ASP A 41 -9.098 -6.506 -10.957 1.00 0.00 N ATOM 524 CA ASP A 41 -9.599 -6.358 -12.309 1.00 0.00 C ATOM 525 C ASP A 41 -8.881 -5.209 -13.001 1.00 0.00 C ATOM 526 O ASP A 41 -8.229 -4.398 -12.347 1.00 0.00 O ATOM 527 CB ASP A 41 -11.104 -6.111 -12.268 1.00 0.00 C ATOM 528 CG ASP A 41 -11.857 -7.218 -12.993 1.00 0.00 C ATOM 529 OD1 ASP A 41 -11.313 -8.343 -13.032 1.00 0.00 O ATOM 530 OD2 ASP A 41 -12.961 -6.918 -13.495 1.00 0.00 O ATOM 0 H ASP A 41 -9.037 -5.632 -10.434 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.410 -7.271 -12.874 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.439 -6.056 -11.232 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.331 -5.149 -12.728 1.00 0.00 H new ATOM 535 N THR A 42 -9.002 -5.139 -14.329 1.00 0.00 N ATOM 536 CA THR A 42 -8.365 -4.088 -15.097 1.00 0.00 C ATOM 537 C THR A 42 -8.707 -2.730 -14.501 1.00 0.00 C ATOM 538 O THR A 42 -9.852 -2.289 -14.570 1.00 0.00 O ATOM 539 CB THR A 42 -8.823 -4.172 -16.550 1.00 0.00 C ATOM 540 OG1 THR A 42 -8.317 -5.351 -17.135 1.00 0.00 O ATOM 541 CG2 THR A 42 -8.304 -2.960 -17.318 1.00 0.00 C ATOM 0 H THR A 42 -9.538 -5.803 -14.888 1.00 0.00 H new ATOM 0 HA THR A 42 -7.283 -4.214 -15.062 1.00 0.00 H new ATOM 0 HB THR A 42 -9.912 -4.186 -16.587 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.612 -5.406 -18.068 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.631 -3.020 -18.356 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.695 -2.048 -16.866 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.215 -2.945 -17.281 1.00 0.00 H new ATOM 549 N GLY A 43 -7.708 -2.065 -13.915 1.00 0.00 N ATOM 550 CA GLY A 43 -7.912 -0.762 -13.313 1.00 0.00 C ATOM 551 C GLY A 43 -8.718 -0.895 -12.028 1.00 0.00 C ATOM 552 O GLY A 43 -9.142 0.104 -11.452 1.00 0.00 O ATOM 0 H GLY A 43 -6.752 -2.415 -13.849 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.949 -0.297 -13.100 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.434 -0.108 -14.012 1.00 0.00 H new ATOM 556 N VAL A 44 -8.929 -2.136 -11.581 1.00 0.00 N ATOM 557 CA VAL A 44 -9.682 -2.394 -10.370 1.00 0.00 C ATOM 558 C VAL A 44 -8.821 -3.172 -9.385 1.00 0.00 C ATOM 559 O VAL A 44 -8.404 -4.292 -9.672 1.00 0.00 O ATOM 560 CB VAL A 44 -10.947 -3.173 -10.715 1.00 0.00 C ATOM 561 CG1 VAL A 44 -11.885 -3.180 -9.511 1.00 0.00 C ATOM 562 CG2 VAL A 44 -11.645 -2.511 -11.900 1.00 0.00 C ATOM 0 H VAL A 44 -8.584 -2.975 -12.048 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.968 -1.450 -9.906 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.683 -4.198 -10.975 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -12.789 -3.737 -9.757 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.387 -3.653 -8.665 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.150 -2.155 -9.250 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.549 -3.067 -12.147 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.909 -1.486 -11.640 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.976 -2.506 -12.760 1.00 0.00 H new ATOM 572 N LEU A 45 -8.555 -2.576 -8.220 1.00 0.00 N ATOM 573 CA LEU A 45 -7.747 -3.214 -7.200 1.00 0.00 C ATOM 574 C LEU A 45 -8.474 -3.171 -5.864 1.00 0.00 C ATOM 575 O LEU A 45 -9.070 -2.156 -5.511 1.00 0.00 O ATOM 576 CB LEU A 45 -6.398 -2.508 -7.105 1.00 0.00 C ATOM 577 CG LEU A 45 -6.468 -1.421 -6.036 1.00 0.00 C ATOM 578 CD1 LEU A 45 -5.057 -1.082 -5.562 1.00 0.00 C ATOM 579 CD2 LEU A 45 -7.122 -0.173 -6.621 1.00 0.00 C ATOM 0 H LEU A 45 -8.893 -1.648 -7.967 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.578 -4.258 -7.465 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.616 -3.226 -6.858 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.136 -2.070 -8.068 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.059 -1.779 -5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.106 -0.306 -4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.590 -1.973 -5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.466 -0.725 -6.405 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.172 0.603 -5.858 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.532 0.185 -7.465 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.130 -0.415 -6.959 1.00 0.00 H new ATOM 591 N ALA A 46 -8.422 -4.278 -5.119 1.00 0.00 N ATOM 592 CA ALA A 46 -9.075 -4.362 -3.828 1.00 0.00 C ATOM 593 C ALA A 46 -8.047 -4.186 -2.719 1.00 0.00 C ATOM 594 O ALA A 46 -6.875 -4.508 -2.900 1.00 0.00 O ATOM 595 CB ALA A 46 -9.781 -5.709 -3.703 1.00 0.00 C ATOM 0 H ALA A 46 -7.930 -5.127 -5.397 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.817 -3.569 -3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.273 -5.773 -2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.525 -5.805 -4.494 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.050 -6.513 -3.794 1.00 0.00 H new ATOM 601 N CYS A 47 -8.490 -3.674 -1.568 1.00 0.00 N ATOM 602 CA CYS A 47 -7.610 -3.458 -0.438 1.00 0.00 C ATOM 603 C CYS A 47 -7.891 -4.497 0.639 1.00 0.00 C ATOM 604 O CYS A 47 -9.023 -4.951 0.786 1.00 0.00 O ATOM 605 CB CYS A 47 -7.818 -2.047 0.105 1.00 0.00 C ATOM 606 SG CYS A 47 -7.100 -0.748 -0.930 1.00 0.00 S ATOM 0 H CYS A 47 -9.459 -3.403 -1.403 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.572 -3.562 -0.754 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.887 -1.863 0.211 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.383 -1.985 1.103 1.00 0.00 H new ATOM 0 HG CYS A 47 -5.828 -0.969 -1.084 1.00 0.00 H new ATOM 611 N ASN A 48 -6.855 -4.874 1.392 1.00 0.00 N ATOM 612 CA ASN A 48 -6.997 -5.855 2.449 1.00 0.00 C ATOM 613 C ASN A 48 -6.816 -5.188 3.805 1.00 0.00 C ATOM 614 O ASN A 48 -5.744 -4.666 4.104 1.00 0.00 O ATOM 615 CB ASN A 48 -5.969 -6.966 2.251 1.00 0.00 C ATOM 616 CG ASN A 48 -4.683 -6.656 3.004 1.00 0.00 C ATOM 617 OD1 ASN A 48 -4.355 -7.488 3.995 1.00 0.00 O flip ATOM 618 ND2 ASN A 48 -4.001 -5.682 2.695 1.00 0.00 N flip ATOM 0 H ASN A 48 -5.909 -4.508 1.282 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.996 -6.290 2.413 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.380 -7.914 2.599 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.754 -7.083 1.189 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.295 -5.076 1.929 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.141 -5.479 3.204 1.00 0.00 H new ATOM 625 N PRO A 49 -7.868 -5.208 4.626 1.00 0.00 N ATOM 626 CA PRO A 49 -7.879 -4.627 5.951 1.00 0.00 C ATOM 627 C PRO A 49 -7.041 -5.482 6.891 1.00 0.00 C ATOM 628 O PRO A 49 -6.931 -5.181 8.077 1.00 0.00 O ATOM 629 CB PRO A 49 -9.348 -4.633 6.369 1.00 0.00 C ATOM 630 CG PRO A 49 -9.905 -5.848 5.628 1.00 0.00 C ATOM 631 CD PRO A 49 -9.142 -5.813 4.306 1.00 0.00 C ATOM 0 HA PRO A 49 -7.459 -3.621 5.977 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -9.461 -4.731 7.449 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -9.855 -3.713 6.077 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.725 -6.773 6.175 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -10.982 -5.771 5.476 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.012 -6.816 3.899 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.678 -5.231 3.556 1.00 0.00 H new ATOM 639 N ALA A 50 -6.450 -6.554 6.357 1.00 0.00 N ATOM 640 CA ALA A 50 -5.628 -7.448 7.148 1.00 0.00 C ATOM 641 C ALA A 50 -4.223 -6.879 7.276 1.00 0.00 C ATOM 642 O ALA A 50 -3.480 -7.250 8.182 1.00 0.00 O ATOM 643 CB ALA A 50 -5.597 -8.824 6.491 1.00 0.00 C ATOM 0 H ALA A 50 -6.531 -6.817 5.375 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.050 -7.547 8.148 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.979 -9.497 7.085 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.610 -9.221 6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.179 -8.739 5.488 1.00 0.00 H new ATOM 649 N ASP A 51 -3.858 -5.974 6.364 1.00 0.00 N ATOM 650 CA ASP A 51 -2.545 -5.361 6.379 1.00 0.00 C ATOM 651 C ASP A 51 -2.682 -3.848 6.289 1.00 0.00 C ATOM 652 O ASP A 51 -1.813 -3.176 5.737 1.00 0.00 O ATOM 653 CB ASP A 51 -1.720 -5.900 5.213 1.00 0.00 C ATOM 654 CG ASP A 51 -1.316 -7.347 5.456 1.00 0.00 C ATOM 655 OD1 ASP A 51 -1.485 -7.797 6.610 1.00 0.00 O ATOM 656 OD2 ASP A 51 -0.847 -7.976 4.483 1.00 0.00 O ATOM 0 H ASP A 51 -4.462 -5.655 5.607 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.035 -5.605 7.311 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.297 -5.829 4.291 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.829 -5.287 5.079 1.00 0.00 H new ATOM 661 N PHE A 52 -3.777 -3.312 6.833 1.00 0.00 N ATOM 662 CA PHE A 52 -4.019 -1.883 6.810 1.00 0.00 C ATOM 663 C PHE A 52 -3.519 -1.254 8.102 1.00 0.00 C ATOM 664 O PHE A 52 -4.012 -1.572 9.182 1.00 0.00 O ATOM 665 CB PHE A 52 -5.512 -1.625 6.624 1.00 0.00 C ATOM 666 CG PHE A 52 -6.175 -1.021 7.839 1.00 0.00 C ATOM 667 CD1 PHE A 52 -5.720 0.200 8.351 1.00 0.00 C ATOM 668 CD2 PHE A 52 -7.247 -1.681 8.452 1.00 0.00 C ATOM 669 CE1 PHE A 52 -6.336 0.761 9.476 1.00 0.00 C ATOM 670 CE2 PHE A 52 -7.863 -1.120 9.577 1.00 0.00 C ATOM 671 CZ PHE A 52 -7.407 0.100 10.089 1.00 0.00 C ATOM 0 H PHE A 52 -4.507 -3.855 7.294 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.479 -1.431 5.978 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.654 -0.958 5.773 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.007 -2.565 6.379 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.893 0.709 7.878 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.599 -2.623 8.057 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.985 1.703 9.871 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.690 -1.629 10.050 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.882 0.532 10.958 1.00 0.00 H new ATOM 681 N SER A 53 -2.536 -0.357 7.990 1.00 0.00 N ATOM 682 CA SER A 53 -1.977 0.311 9.147 1.00 0.00 C ATOM 683 C SER A 53 -2.250 1.807 9.062 1.00 0.00 C ATOM 684 O SER A 53 -2.880 2.272 8.115 1.00 0.00 O ATOM 685 CB SER A 53 -0.477 0.038 9.216 1.00 0.00 C ATOM 686 OG SER A 53 0.047 0.593 10.401 1.00 0.00 O ATOM 0 H SER A 53 -2.116 -0.082 7.102 1.00 0.00 H new ATOM 0 HA SER A 53 -2.445 -0.072 10.054 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.290 -1.036 9.191 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.022 0.469 8.348 1.00 0.00 H new ATOM 0 HG SER A 53 0.479 1.449 10.198 1.00 0.00 H new ATOM 692 N SER A 54 -1.772 2.559 10.055 1.00 0.00 N ATOM 693 CA SER A 54 -1.964 3.995 10.086 1.00 0.00 C ATOM 694 C SER A 54 -0.757 4.665 10.726 1.00 0.00 C ATOM 695 O SER A 54 -0.051 4.049 11.521 1.00 0.00 O ATOM 696 CB SER A 54 -3.237 4.320 10.862 1.00 0.00 C ATOM 697 OG SER A 54 -2.937 4.421 12.236 1.00 0.00 O ATOM 0 H SER A 54 -1.248 2.188 10.848 1.00 0.00 H new ATOM 0 HA SER A 54 -2.066 4.373 9.069 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.666 5.256 10.503 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.984 3.543 10.698 1.00 0.00 H new ATOM 0 HG SER A 54 -3.754 4.631 12.735 1.00 0.00 H new ATOM 703 N VAL A 55 -0.521 5.932 10.377 1.00 0.00 N ATOM 704 CA VAL A 55 0.597 6.679 10.917 1.00 0.00 C ATOM 705 C VAL A 55 0.420 8.160 10.617 1.00 0.00 C ATOM 706 O VAL A 55 -0.316 8.527 9.703 1.00 0.00 O ATOM 707 CB VAL A 55 1.897 6.156 10.312 1.00 0.00 C ATOM 708 CG1 VAL A 55 1.801 6.193 8.790 1.00 0.00 C ATOM 709 CG2 VAL A 55 3.059 7.033 10.770 1.00 0.00 C ATOM 0 H VAL A 55 -1.097 6.456 9.719 1.00 0.00 H new ATOM 0 HA VAL A 55 0.637 6.550 11.999 1.00 0.00 H new ATOM 0 HB VAL A 55 2.064 5.130 10.640 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.729 5.820 8.358 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.971 5.567 8.462 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.634 7.219 8.461 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.988 6.660 10.339 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.892 8.059 10.442 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.128 7.007 11.858 1.00 0.00 H new ATOM 719 N THR A 56 1.097 9.014 11.388 1.00 0.00 N ATOM 720 CA THR A 56 1.009 10.447 11.197 1.00 0.00 C ATOM 721 C THR A 56 2.404 11.039 11.060 1.00 0.00 C ATOM 722 O THR A 56 3.295 10.726 11.847 1.00 0.00 O ATOM 723 CB THR A 56 0.270 11.072 12.376 1.00 0.00 C ATOM 724 OG1 THR A 56 -0.959 10.407 12.566 1.00 0.00 O ATOM 725 CG2 THR A 56 0.010 12.549 12.090 1.00 0.00 C ATOM 0 H THR A 56 1.712 8.728 12.150 1.00 0.00 H new ATOM 0 HA THR A 56 0.456 10.661 10.283 1.00 0.00 H new ATOM 0 HB THR A 56 0.878 10.978 13.276 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.434 10.807 13.324 1.00 0.00 H new ATOM 0 HG21 THR A 56 -0.518 12.995 12.933 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.959 13.064 11.943 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.597 12.644 11.190 1.00 0.00 H new ATOM 733 N ALA A 57 2.593 11.899 10.056 1.00 0.00 N ATOM 734 CA ALA A 57 3.876 12.529 9.821 1.00 0.00 C ATOM 735 C ALA A 57 4.211 13.464 10.974 1.00 0.00 C ATOM 736 O ALA A 57 3.314 13.972 11.644 1.00 0.00 O ATOM 737 CB ALA A 57 3.831 13.294 8.500 1.00 0.00 C ATOM 0 H ALA A 57 1.865 12.170 9.395 1.00 0.00 H new ATOM 0 HA ALA A 57 4.654 11.768 9.760 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.796 13.769 8.321 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.611 12.603 7.687 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.054 14.057 8.548 1.00 0.00 H new ATOM 743 N ASP A 58 5.506 13.691 11.205 1.00 0.00 N ATOM 744 CA ASP A 58 5.951 14.561 12.275 1.00 0.00 C ATOM 745 C ASP A 58 6.064 15.990 11.764 1.00 0.00 C ATOM 746 O ASP A 58 5.653 16.284 10.643 1.00 0.00 O ATOM 747 CB ASP A 58 7.294 14.068 12.805 1.00 0.00 C ATOM 748 CG ASP A 58 8.349 14.081 11.708 1.00 0.00 C ATOM 749 OD1 ASP A 58 8.052 14.661 10.641 1.00 0.00 O ATOM 750 OD2 ASP A 58 9.434 13.510 11.956 1.00 0.00 O ATOM 0 H ASP A 58 6.261 13.278 10.658 1.00 0.00 H new ATOM 0 HA ASP A 58 5.226 14.544 13.089 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.617 14.699 13.633 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.185 13.057 13.199 1.00 0.00 H new ATOM 755 N ALA A 59 6.623 16.878 12.588 1.00 0.00 N ATOM 756 CA ALA A 59 6.785 18.269 12.217 1.00 0.00 C ATOM 757 C ALA A 59 7.661 18.373 10.976 1.00 0.00 C ATOM 758 O ALA A 59 7.532 19.317 10.200 1.00 0.00 O ATOM 759 CB ALA A 59 7.405 19.037 13.381 1.00 0.00 C ATOM 0 H ALA A 59 6.970 16.649 13.519 1.00 0.00 H new ATOM 0 HA ALA A 59 5.812 18.704 11.989 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.527 20.084 13.102 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.753 18.967 14.252 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.378 18.610 13.622 1.00 0.00 H new ATOM 765 N ASN A 60 8.554 17.398 10.790 1.00 0.00 N ATOM 766 CA ASN A 60 9.444 17.385 9.646 1.00 0.00 C ATOM 767 C ASN A 60 8.671 17.000 8.393 1.00 0.00 C ATOM 768 O ASN A 60 9.141 17.220 7.279 1.00 0.00 O ATOM 769 CB ASN A 60 10.584 16.405 9.902 1.00 0.00 C ATOM 770 CG ASN A 60 11.931 17.112 9.848 1.00 0.00 C ATOM 771 OD1 ASN A 60 12.205 17.990 10.663 1.00 0.00 O ATOM 772 ND2 ASN A 60 12.773 16.725 8.887 1.00 0.00 N ATOM 0 H ASN A 60 8.674 16.608 11.424 1.00 0.00 H new ATOM 0 HA ASN A 60 9.864 18.380 9.496 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.454 15.936 10.877 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.557 15.608 9.159 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.690 17.163 8.806 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.499 15.991 8.234 1.00 0.00 H new ATOM 779 N GLY A 61 7.482 16.422 8.576 1.00 0.00 N ATOM 780 CA GLY A 61 6.655 16.011 7.459 1.00 0.00 C ATOM 781 C GLY A 61 7.010 14.593 7.034 1.00 0.00 C ATOM 782 O GLY A 61 6.504 14.099 6.028 1.00 0.00 O ATOM 0 H GLY A 61 7.077 16.231 9.492 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.603 16.062 7.739 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.796 16.695 6.622 1.00 0.00 H new ATOM 786 N SER A 62 7.883 13.939 7.803 1.00 0.00 N ATOM 787 CA SER A 62 8.299 12.583 7.503 1.00 0.00 C ATOM 788 C SER A 62 7.497 11.599 8.343 1.00 0.00 C ATOM 789 O SER A 62 7.237 11.849 9.518 1.00 0.00 O ATOM 790 CB SER A 62 9.793 12.438 7.779 1.00 0.00 C ATOM 791 OG SER A 62 10.341 13.703 8.076 1.00 0.00 O ATOM 0 H SER A 62 8.312 14.335 8.639 1.00 0.00 H new ATOM 0 HA SER A 62 8.114 12.366 6.451 1.00 0.00 H new ATOM 0 HB2 SER A 62 9.955 11.755 8.613 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.294 12.007 6.912 1.00 0.00 H new ATOM 0 HG SER A 62 11.024 13.608 8.772 1.00 0.00 H new ATOM 797 N ALA A 63 7.105 10.476 7.737 1.00 0.00 N ATOM 798 CA ALA A 63 6.336 9.462 8.429 1.00 0.00 C ATOM 799 C ALA A 63 7.107 8.149 8.440 1.00 0.00 C ATOM 800 O ALA A 63 8.048 7.973 7.670 1.00 0.00 O ATOM 801 CB ALA A 63 4.986 9.290 7.740 1.00 0.00 C ATOM 0 H ALA A 63 7.313 10.254 6.764 1.00 0.00 H new ATOM 0 HA ALA A 63 6.166 9.770 9.461 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.407 8.527 8.260 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.443 10.235 7.762 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.142 8.985 6.705 1.00 0.00 H new ATOM 807 N SER A 64 6.705 7.227 9.317 1.00 0.00 N ATOM 808 CA SER A 64 7.359 5.938 9.423 1.00 0.00 C ATOM 809 C SER A 64 6.351 4.881 9.855 1.00 0.00 C ATOM 810 O SER A 64 5.717 5.015 10.899 1.00 0.00 O ATOM 811 CB SER A 64 8.507 6.031 10.423 1.00 0.00 C ATOM 812 OG SER A 64 8.084 5.533 11.672 1.00 0.00 O ATOM 0 H SER A 64 5.926 7.358 9.963 1.00 0.00 H new ATOM 0 HA SER A 64 7.763 5.651 8.452 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.364 5.461 10.063 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.833 7.066 10.524 1.00 0.00 H new ATOM 0 HG SER A 64 7.110 5.616 11.745 1.00 0.00 H new ATOM 818 N THR A 65 6.206 3.827 9.049 1.00 0.00 N ATOM 819 CA THR A 65 5.279 2.757 9.356 1.00 0.00 C ATOM 820 C THR A 65 5.690 1.488 8.623 1.00 0.00 C ATOM 821 O THR A 65 6.467 1.541 7.672 1.00 0.00 O ATOM 822 CB THR A 65 3.867 3.178 8.958 1.00 0.00 C ATOM 823 OG1 THR A 65 3.032 3.155 10.093 1.00 0.00 O ATOM 824 CG2 THR A 65 3.325 2.212 7.908 1.00 0.00 C ATOM 0 H THR A 65 6.724 3.700 8.179 1.00 0.00 H new ATOM 0 HA THR A 65 5.296 2.554 10.427 1.00 0.00 H new ATOM 0 HB THR A 65 3.892 4.187 8.546 1.00 0.00 H new ATOM 0 HG1 THR A 65 2.095 3.206 9.811 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.317 2.512 7.623 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.970 2.230 7.030 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.301 1.203 8.320 1.00 0.00 H new ATOM 832 N SER A 66 5.165 0.344 9.067 1.00 0.00 N ATOM 833 CA SER A 66 5.478 -0.930 8.451 1.00 0.00 C ATOM 834 C SER A 66 4.210 -1.558 7.890 1.00 0.00 C ATOM 835 O SER A 66 3.203 -1.657 8.587 1.00 0.00 O ATOM 836 CB SER A 66 6.125 -1.848 9.485 1.00 0.00 C ATOM 837 OG SER A 66 6.890 -1.077 10.384 1.00 0.00 O ATOM 0 H SER A 66 4.520 0.283 9.854 1.00 0.00 H new ATOM 0 HA SER A 66 6.178 -0.779 7.629 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.358 -2.402 10.026 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.759 -2.583 8.989 1.00 0.00 H new ATOM 0 HG SER A 66 7.304 -1.665 11.049 1.00 0.00 H new ATOM 843 N LEU A 67 4.262 -1.983 6.626 1.00 0.00 N ATOM 844 CA LEU A 67 3.122 -2.600 5.978 1.00 0.00 C ATOM 845 C LEU A 67 3.357 -4.096 5.832 1.00 0.00 C ATOM 846 O LEU A 67 4.359 -4.516 5.257 1.00 0.00 O ATOM 847 CB LEU A 67 2.900 -1.952 4.614 1.00 0.00 C ATOM 848 CG LEU A 67 1.418 -2.010 4.258 1.00 0.00 C ATOM 849 CD1 LEU A 67 1.003 -3.463 4.040 1.00 0.00 C ATOM 850 CD2 LEU A 67 0.597 -1.413 5.398 1.00 0.00 C ATOM 0 H LEU A 67 5.090 -1.907 6.035 1.00 0.00 H new ATOM 0 HA LEU A 67 2.230 -2.451 6.586 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.240 -0.917 4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.488 -2.468 3.855 1.00 0.00 H new ATOM 0 HG LEU A 67 1.242 -1.441 3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.056 -3.505 3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.589 -3.891 3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.180 -4.033 4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.462 -1.454 5.144 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.774 -1.982 6.311 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.892 -0.376 5.555 1.00 0.00 H new ATOM 862 N THR A 68 2.430 -4.903 6.355 1.00 0.00 N ATOM 863 CA THR A 68 2.545 -6.345 6.277 1.00 0.00 C ATOM 864 C THR A 68 2.182 -6.819 4.877 1.00 0.00 C ATOM 865 O THR A 68 1.260 -6.292 4.259 1.00 0.00 O ATOM 866 CB THR A 68 1.630 -6.983 7.318 1.00 0.00 C ATOM 867 OG1 THR A 68 1.237 -8.264 6.877 1.00 0.00 O ATOM 868 CG2 THR A 68 0.392 -6.111 7.512 1.00 0.00 C ATOM 0 H THR A 68 1.593 -4.573 6.836 1.00 0.00 H new ATOM 0 HA THR A 68 3.573 -6.643 6.483 1.00 0.00 H new ATOM 0 HB THR A 68 2.164 -7.072 8.264 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.239 -8.886 7.635 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.261 -6.567 8.256 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.694 -5.121 7.853 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.142 -6.022 6.566 1.00 0.00 H new ATOM 876 N VAL A 69 2.911 -7.820 4.378 1.00 0.00 N ATOM 877 CA VAL A 69 2.665 -8.361 3.057 1.00 0.00 C ATOM 878 C VAL A 69 1.917 -9.682 3.173 1.00 0.00 C ATOM 879 O VAL A 69 2.305 -10.550 3.951 1.00 0.00 O ATOM 880 CB VAL A 69 3.993 -8.552 2.330 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.991 -9.899 1.613 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.180 -7.433 1.311 1.00 0.00 C ATOM 0 H VAL A 69 3.678 -8.268 4.879 1.00 0.00 H new ATOM 0 HA VAL A 69 2.050 -7.667 2.484 1.00 0.00 H new ATOM 0 HB VAL A 69 4.810 -8.526 3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.939 -10.036 1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.857 -10.699 2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.175 -9.926 0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.128 -7.569 0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.364 -7.458 0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.182 -6.471 1.823 1.00 0.00 H new ATOM 892 N ARG A 70 0.843 -9.832 2.394 1.00 0.00 N ATOM 893 CA ARG A 70 0.048 -11.043 2.414 1.00 0.00 C ATOM 894 C ARG A 70 0.063 -11.692 1.037 1.00 0.00 C ATOM 895 O ARG A 70 0.311 -11.023 0.036 1.00 0.00 O ATOM 896 CB ARG A 70 -1.379 -10.707 2.837 1.00 0.00 C ATOM 897 CG ARG A 70 -1.547 -10.991 4.327 1.00 0.00 C ATOM 898 CD ARG A 70 -0.280 -10.577 5.070 1.00 0.00 C ATOM 899 NE ARG A 70 -0.560 -10.317 6.483 1.00 0.00 N ATOM 900 CZ ARG A 70 -0.712 -11.296 7.385 1.00 0.00 C ATOM 901 NH1 ARG A 70 -0.607 -12.578 7.007 1.00 0.00 N ATOM 902 NH2 ARG A 70 -0.969 -10.994 8.665 1.00 0.00 N ATOM 0 H ARG A 70 0.510 -9.122 1.742 1.00 0.00 H new ATOM 0 HA ARG A 70 0.469 -11.747 3.131 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.594 -9.659 2.629 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.090 -11.299 2.260 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.405 -10.445 4.718 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.745 -12.051 4.486 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.470 -11.363 4.983 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.140 -9.683 4.609 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.643 -9.349 6.794 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.411 -12.808 6.033 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.723 -13.323 7.694 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.049 -10.019 8.953 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.085 -11.739 9.352 1.00 0.00 H new ATOM 916 N ARG A 71 -0.204 -12.999 0.988 1.00 0.00 N ATOM 917 CA ARG A 71 -0.220 -13.730 -0.263 1.00 0.00 C ATOM 918 C ARG A 71 -1.601 -13.639 -0.896 1.00 0.00 C ATOM 919 O ARG A 71 -1.749 -13.844 -2.099 1.00 0.00 O ATOM 920 CB ARG A 71 0.161 -15.185 -0.005 1.00 0.00 C ATOM 921 CG ARG A 71 1.581 -15.435 -0.506 1.00 0.00 C ATOM 922 CD ARG A 71 2.152 -16.673 0.182 1.00 0.00 C ATOM 923 NE ARG A 71 2.207 -17.807 -0.740 1.00 0.00 N ATOM 924 CZ ARG A 71 2.744 -18.988 -0.406 1.00 0.00 C ATOM 925 NH1 ARG A 71 3.261 -19.168 0.817 1.00 0.00 N ATOM 926 NH2 ARG A 71 2.766 -19.991 -1.296 1.00 0.00 N ATOM 0 H ARG A 71 -0.412 -13.567 1.809 1.00 0.00 H new ATOM 0 HA ARG A 71 0.503 -13.295 -0.953 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.096 -15.406 1.060 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.538 -15.851 -0.512 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.577 -15.575 -1.587 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.209 -14.568 -0.299 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.152 -16.456 0.557 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.537 -16.930 1.044 1.00 0.00 H new ATOM 0 HE ARG A 71 1.820 -17.694 -1.677 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.246 -18.406 1.494 1.00 0.00 H new ATOM 0 HH12 ARG A 71 3.670 -20.067 1.071 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.374 -19.855 -2.228 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.175 -20.890 -1.041 1.00 0.00 H new ATOM 940 N SER A 72 -2.613 -13.329 -0.083 1.00 0.00 N ATOM 941 CA SER A 72 -3.973 -13.211 -0.569 1.00 0.00 C ATOM 942 C SER A 72 -4.852 -12.585 0.505 1.00 0.00 C ATOM 943 O SER A 72 -4.581 -12.729 1.695 1.00 0.00 O ATOM 944 CB SER A 72 -4.495 -14.591 -0.958 1.00 0.00 C ATOM 945 OG SER A 72 -5.895 -14.537 -1.114 1.00 0.00 O ATOM 0 H SER A 72 -2.507 -13.156 0.917 1.00 0.00 H new ATOM 0 HA SER A 72 -3.994 -12.568 -1.449 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.027 -14.920 -1.886 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.232 -15.320 -0.192 1.00 0.00 H new ATOM 0 HG SER A 72 -6.131 -13.782 -1.693 1.00 0.00 H new ATOM 951 N PHE A 73 -5.910 -11.889 0.081 1.00 0.00 N ATOM 952 CA PHE A 73 -6.821 -11.248 1.008 1.00 0.00 C ATOM 953 C PHE A 73 -8.006 -10.667 0.248 1.00 0.00 C ATOM 954 O PHE A 73 -7.922 -10.439 -0.957 1.00 0.00 O ATOM 955 CB PHE A 73 -6.081 -10.155 1.774 1.00 0.00 C ATOM 956 CG PHE A 73 -5.144 -9.343 0.911 1.00 0.00 C ATOM 957 CD1 PHE A 73 -5.656 -8.546 -0.120 1.00 0.00 C ATOM 958 CD2 PHE A 73 -3.764 -9.390 1.141 1.00 0.00 C ATOM 959 CE1 PHE A 73 -4.787 -7.796 -0.921 1.00 0.00 C ATOM 960 CE2 PHE A 73 -2.895 -8.639 0.340 1.00 0.00 C ATOM 961 CZ PHE A 73 -3.407 -7.842 -0.691 1.00 0.00 C ATOM 0 H PHE A 73 -6.150 -11.760 -0.902 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.197 -11.982 1.721 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.810 -9.487 2.233 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.512 -10.612 2.584 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.721 -8.510 -0.297 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.370 -10.005 1.936 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.181 -7.182 -1.717 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -1.830 -8.675 0.517 1.00 0.00 H new ATOM 0 HZ PHE A 73 -2.737 -7.263 -1.309 1.00 0.00 H new ATOM 971 N GLU A 74 -9.112 -10.426 0.956 1.00 0.00 N ATOM 972 CA GLU A 74 -10.303 -9.873 0.344 1.00 0.00 C ATOM 973 C GLU A 74 -9.997 -8.502 -0.242 1.00 0.00 C ATOM 974 O GLU A 74 -9.687 -7.565 0.490 1.00 0.00 O ATOM 975 CB GLU A 74 -11.413 -9.779 1.388 1.00 0.00 C ATOM 976 CG GLU A 74 -10.942 -8.916 2.555 1.00 0.00 C ATOM 977 CD GLU A 74 -11.304 -9.559 3.886 1.00 0.00 C ATOM 978 OE1 GLU A 74 -10.924 -10.736 4.070 1.00 0.00 O ATOM 979 OE2 GLU A 74 -11.953 -8.862 4.695 1.00 0.00 O ATOM 0 H GLU A 74 -9.199 -10.609 1.956 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.635 -10.524 -0.465 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.310 -9.349 0.943 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.679 -10.775 1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.863 -8.775 2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.397 -7.928 2.488 1.00 0.00 H new ATOM 986 N GLY A 75 -10.085 -8.385 -1.570 1.00 0.00 N ATOM 987 CA GLY A 75 -9.817 -7.130 -2.242 1.00 0.00 C ATOM 988 C GLY A 75 -10.961 -6.152 -2.010 1.00 0.00 C ATOM 989 O GLY A 75 -11.954 -6.171 -2.734 1.00 0.00 O ATOM 0 H GLY A 75 -10.341 -9.151 -2.193 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.884 -6.704 -1.873 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.688 -7.302 -3.311 1.00 0.00 H new ATOM 993 N PHE A 76 -10.819 -5.296 -0.995 1.00 0.00 N ATOM 994 CA PHE A 76 -11.839 -4.318 -0.674 1.00 0.00 C ATOM 995 C PHE A 76 -11.694 -3.104 -1.580 1.00 0.00 C ATOM 996 O PHE A 76 -10.857 -2.239 -1.333 1.00 0.00 O ATOM 997 CB PHE A 76 -11.714 -3.917 0.793 1.00 0.00 C ATOM 998 CG PHE A 76 -12.912 -4.304 1.628 1.00 0.00 C ATOM 999 CD1 PHE A 76 -14.145 -3.677 1.414 1.00 0.00 C ATOM 1000 CD2 PHE A 76 -12.788 -5.287 2.616 1.00 0.00 C ATOM 1001 CE1 PHE A 76 -15.255 -4.033 2.189 1.00 0.00 C ATOM 1002 CE2 PHE A 76 -13.898 -5.644 3.391 1.00 0.00 C ATOM 1003 CZ PHE A 76 -15.132 -5.017 3.178 1.00 0.00 C ATOM 0 H PHE A 76 -10.002 -5.268 -0.385 1.00 0.00 H new ATOM 0 HA PHE A 76 -12.826 -4.750 -0.836 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -10.822 -4.382 1.214 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.571 -2.838 0.856 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -14.240 -2.919 0.651 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.836 -5.770 2.781 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -16.206 -3.549 2.024 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.803 -6.403 4.153 1.00 0.00 H new ATOM 0 HZ PHE A 76 -15.988 -5.292 3.776 1.00 0.00 H new ATOM 1013 N LEU A 77 -12.513 -3.040 -2.633 1.00 0.00 N ATOM 1014 CA LEU A 77 -12.472 -1.935 -3.569 1.00 0.00 C ATOM 1015 C LEU A 77 -12.628 -0.619 -2.821 1.00 0.00 C ATOM 1016 O LEU A 77 -13.515 -0.481 -1.980 1.00 0.00 O ATOM 1017 CB LEU A 77 -13.580 -2.103 -4.604 1.00 0.00 C ATOM 1018 CG LEU A 77 -14.056 -0.730 -5.067 1.00 0.00 C ATOM 1019 CD1 LEU A 77 -12.927 -0.025 -5.813 1.00 0.00 C ATOM 1020 CD2 LEU A 77 -15.256 -0.894 -5.996 1.00 0.00 C ATOM 0 H LEU A 77 -13.213 -3.749 -2.852 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.511 -1.926 -4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.214 -2.678 -5.454 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.411 -2.662 -4.175 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.346 -0.135 -4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.267 0.956 -6.144 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.070 0.092 -5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.636 -0.620 -6.679 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -15.597 0.087 -6.327 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.967 -1.489 -6.862 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.063 -1.397 -5.463 1.00 0.00 H new ATOM 1032 N PHE A 78 -11.764 0.352 -3.127 1.00 0.00 N ATOM 1033 CA PHE A 78 -11.813 1.649 -2.483 1.00 0.00 C ATOM 1034 C PHE A 78 -13.247 2.158 -2.456 1.00 0.00 C ATOM 1035 O PHE A 78 -13.668 2.782 -1.484 1.00 0.00 O ATOM 1036 CB PHE A 78 -10.907 2.622 -3.233 1.00 0.00 C ATOM 1037 CG PHE A 78 -9.516 2.718 -2.653 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -9.260 3.590 -1.589 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -8.482 1.937 -3.183 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -7.970 3.681 -1.053 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -7.191 2.028 -2.647 1.00 0.00 C ATOM 1042 CZ PHE A 78 -6.935 2.900 -1.582 1.00 0.00 C ATOM 0 H PHE A 78 -11.023 0.255 -3.821 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.460 1.563 -1.455 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.837 2.311 -4.275 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.364 3.611 -3.226 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -10.058 4.193 -1.181 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -8.680 1.265 -4.005 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.773 4.354 -0.231 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -6.393 1.425 -3.055 1.00 0.00 H new ATOM 0 HZ PHE A 78 -5.940 2.970 -1.169 1.00 0.00 H new ATOM 1052 N ASP A 79 -13.998 1.891 -3.527 1.00 0.00 N ATOM 1053 CA ASP A 79 -15.378 2.323 -3.620 1.00 0.00 C ATOM 1054 C ASP A 79 -16.170 1.776 -2.441 1.00 0.00 C ATOM 1055 O ASP A 79 -17.261 2.258 -2.147 1.00 0.00 O ATOM 1056 CB ASP A 79 -15.973 1.842 -4.941 1.00 0.00 C ATOM 1057 CG ASP A 79 -16.942 2.870 -5.506 1.00 0.00 C ATOM 1058 OD1 ASP A 79 -17.208 3.856 -4.786 1.00 0.00 O ATOM 1059 OD2 ASP A 79 -17.399 2.650 -6.649 1.00 0.00 O ATOM 0 H ASP A 79 -13.664 1.375 -4.341 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.425 3.412 -3.590 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.174 1.657 -5.659 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.490 0.895 -4.788 1.00 0.00 H new ATOM 1064 N GLY A 80 -15.618 0.766 -1.764 1.00 0.00 N ATOM 1065 CA GLY A 80 -16.278 0.163 -0.624 1.00 0.00 C ATOM 1066 C GLY A 80 -17.025 -1.093 -1.050 1.00 0.00 C ATOM 1067 O GLY A 80 -18.017 -1.469 -0.429 1.00 0.00 O ATOM 0 H GLY A 80 -14.713 0.354 -1.993 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.543 -0.085 0.141 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.973 0.875 -0.179 1.00 0.00 H new ATOM 1071 N THR A 81 -16.546 -1.743 -2.113 1.00 0.00 N ATOM 1072 CA THR A 81 -17.172 -2.951 -2.612 1.00 0.00 C ATOM 1073 C THR A 81 -16.238 -4.137 -2.419 1.00 0.00 C ATOM 1074 O THR A 81 -15.029 -4.015 -2.603 1.00 0.00 O ATOM 1075 CB THR A 81 -17.518 -2.771 -4.088 1.00 0.00 C ATOM 1076 OG1 THR A 81 -18.715 -2.035 -4.203 1.00 0.00 O ATOM 1077 CG2 THR A 81 -17.698 -4.139 -4.739 1.00 0.00 C ATOM 0 H THR A 81 -15.725 -1.446 -2.640 1.00 0.00 H new ATOM 0 HA THR A 81 -18.090 -3.144 -2.057 1.00 0.00 H new ATOM 0 HB THR A 81 -16.711 -2.234 -4.588 1.00 0.00 H new ATOM 0 HG1 THR A 81 -18.937 -1.917 -5.150 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.945 -4.011 -5.793 1.00 0.00 H new ATOM 0 HG22 THR A 81 -16.773 -4.709 -4.650 1.00 0.00 H new ATOM 0 HG23 THR A 81 -18.505 -4.676 -4.240 1.00 0.00 H new ATOM 1085 N ARG A 82 -16.803 -5.287 -2.046 1.00 0.00 N ATOM 1086 CA ARG A 82 -16.021 -6.488 -1.828 1.00 0.00 C ATOM 1087 C ARG A 82 -15.734 -7.165 -3.161 1.00 0.00 C ATOM 1088 O ARG A 82 -16.559 -7.924 -3.664 1.00 0.00 O ATOM 1089 CB ARG A 82 -16.783 -7.428 -0.898 1.00 0.00 C ATOM 1090 CG ARG A 82 -18.243 -7.503 -1.335 1.00 0.00 C ATOM 1091 CD ARG A 82 -18.861 -8.801 -0.823 1.00 0.00 C ATOM 1092 NE ARG A 82 -19.651 -8.566 0.386 1.00 0.00 N ATOM 1093 CZ ARG A 82 -20.879 -8.031 0.358 1.00 0.00 C ATOM 1094 NH1 ARG A 82 -21.434 -7.688 -0.813 1.00 0.00 N ATOM 1095 NH2 ARG A 82 -21.553 -7.839 1.500 1.00 0.00 N ATOM 0 H ARG A 82 -17.804 -5.404 -1.890 1.00 0.00 H new ATOM 0 HA ARG A 82 -15.070 -6.228 -1.362 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.334 -8.421 -0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.718 -7.071 0.130 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.795 -6.647 -0.946 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -18.311 -7.459 -2.422 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -19.494 -9.236 -1.596 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -18.073 -9.524 -0.612 1.00 0.00 H new ATOM 0 HE ARG A 82 -19.250 -8.820 1.289 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -20.921 -7.834 -1.683 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -22.369 -7.281 -0.834 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -21.131 -8.100 2.391 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -22.488 -7.432 1.478 1.00 0.00 H new ATOM 1109 N TRP A 83 -14.560 -6.889 -3.734 1.00 0.00 N ATOM 1110 CA TRP A 83 -14.175 -7.475 -5.002 1.00 0.00 C ATOM 1111 C TRP A 83 -14.071 -8.987 -4.863 1.00 0.00 C ATOM 1112 O TRP A 83 -14.746 -9.726 -5.576 1.00 0.00 O ATOM 1113 CB TRP A 83 -12.844 -6.880 -5.452 1.00 0.00 C ATOM 1114 CG TRP A 83 -12.507 -7.108 -6.891 1.00 0.00 C ATOM 1115 CD1 TRP A 83 -11.425 -7.779 -7.342 1.00 0.00 C ATOM 1116 CD2 TRP A 83 -13.236 -6.679 -8.082 1.00 0.00 C ATOM 1117 NE1 TRP A 83 -11.433 -7.793 -8.721 1.00 0.00 N ATOM 1118 CE2 TRP A 83 -12.530 -7.128 -9.230 1.00 0.00 C ATOM 1119 CE3 TRP A 83 -14.420 -5.956 -8.309 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 -12.972 -6.875 -10.531 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 -14.873 -5.696 -9.610 1.00 0.00 C ATOM 1122 CH2 TRP A 83 -14.154 -6.152 -10.721 1.00 0.00 C ATOM 0 H TRP A 83 -13.864 -6.261 -3.332 1.00 0.00 H new ATOM 0 HA TRP A 83 -14.931 -7.252 -5.755 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -12.860 -5.807 -5.263 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -12.048 -7.300 -4.837 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -10.670 -8.234 -6.719 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -10.717 -8.240 -9.294 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -14.991 -5.594 -7.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -12.408 -7.233 -11.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -15.786 -5.138 -9.757 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -14.510 -5.947 -11.720 1.00 0.00 H new ATOM 1133 N GLY A 84 -13.221 -9.447 -3.942 1.00 0.00 N ATOM 1134 CA GLY A 84 -13.036 -10.867 -3.719 1.00 0.00 C ATOM 1135 C GLY A 84 -11.611 -11.148 -3.262 1.00 0.00 C ATOM 1136 O GLY A 84 -10.770 -10.252 -3.256 1.00 0.00 O ATOM 0 H GLY A 84 -12.653 -8.849 -3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.742 -11.219 -2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.246 -11.417 -4.636 1.00 0.00 H new ATOM 1140 N THR A 85 -11.341 -12.398 -2.879 1.00 0.00 N ATOM 1141 CA THR A 85 -10.021 -12.786 -2.425 1.00 0.00 C ATOM 1142 C THR A 85 -9.020 -12.649 -3.562 1.00 0.00 C ATOM 1143 O THR A 85 -9.052 -13.421 -4.518 1.00 0.00 O ATOM 1144 CB THR A 85 -10.063 -14.223 -1.912 1.00 0.00 C ATOM 1145 OG1 THR A 85 -11.355 -14.511 -1.426 1.00 0.00 O ATOM 1146 CG2 THR A 85 -9.047 -14.392 -0.787 1.00 0.00 C ATOM 0 H THR A 85 -12.026 -13.154 -2.877 1.00 0.00 H new ATOM 0 HA THR A 85 -9.706 -12.132 -1.612 1.00 0.00 H new ATOM 0 HB THR A 85 -9.820 -14.906 -2.726 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.866 -14.985 -2.115 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.077 -15.418 -0.421 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.048 -14.170 -1.162 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.289 -13.709 0.027 1.00 0.00 H new ATOM 1154 N VAL A 86 -8.127 -11.662 -3.457 1.00 0.00 N ATOM 1155 CA VAL A 86 -7.122 -11.427 -4.474 1.00 0.00 C ATOM 1156 C VAL A 86 -5.862 -12.214 -4.143 1.00 0.00 C ATOM 1157 O VAL A 86 -5.488 -12.328 -2.978 1.00 0.00 O ATOM 1158 CB VAL A 86 -6.822 -9.933 -4.556 1.00 0.00 C ATOM 1159 CG1 VAL A 86 -6.502 -9.401 -3.162 1.00 0.00 C ATOM 1160 CG2 VAL A 86 -5.624 -9.705 -5.474 1.00 0.00 C ATOM 0 H VAL A 86 -8.087 -11.014 -2.670 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.492 -11.762 -5.443 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.691 -9.409 -4.954 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -6.288 -8.334 -3.220 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.356 -9.564 -2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.633 -9.924 -2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.409 -8.638 -5.533 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.755 -10.229 -5.075 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.851 -10.085 -6.470 1.00 0.00 H new ATOM 1170 N ASP A 87 -5.207 -12.756 -5.172 1.00 0.00 N ATOM 1171 CA ASP A 87 -3.995 -13.528 -4.985 1.00 0.00 C ATOM 1172 C ASP A 87 -2.780 -12.651 -5.251 1.00 0.00 C ATOM 1173 O ASP A 87 -2.409 -12.434 -6.403 1.00 0.00 O ATOM 1174 CB ASP A 87 -4.010 -14.731 -5.923 1.00 0.00 C ATOM 1175 CG ASP A 87 -4.416 -15.996 -5.180 1.00 0.00 C ATOM 1176 OD1 ASP A 87 -4.943 -15.849 -4.056 1.00 0.00 O ATOM 1177 OD2 ASP A 87 -4.191 -17.086 -5.749 1.00 0.00 O ATOM 0 H ASP A 87 -5.504 -12.669 -6.144 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.941 -13.887 -3.957 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.704 -14.548 -6.744 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.022 -14.865 -6.364 1.00 0.00 H new ATOM 1182 N CYS A 88 -2.160 -12.146 -4.182 1.00 0.00 N ATOM 1183 CA CYS A 88 -0.992 -11.297 -4.304 1.00 0.00 C ATOM 1184 C CYS A 88 0.063 -11.991 -5.154 1.00 0.00 C ATOM 1185 O CYS A 88 0.933 -11.337 -5.724 1.00 0.00 O ATOM 1186 CB CYS A 88 -0.445 -10.982 -2.915 1.00 0.00 C ATOM 1187 SG CYS A 88 -0.970 -9.376 -2.265 1.00 0.00 S ATOM 0 H CYS A 88 -2.456 -12.317 -3.221 1.00 0.00 H new ATOM 0 HA CYS A 88 -1.267 -10.362 -4.792 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -0.763 -11.763 -2.225 1.00 0.00 H new ATOM 0 HB3 CYS A 88 0.644 -11.010 -2.949 1.00 0.00 H new ATOM 1192 N THR A 89 -0.016 -13.321 -5.239 1.00 0.00 N ATOM 1193 CA THR A 89 0.931 -14.092 -6.020 1.00 0.00 C ATOM 1194 C THR A 89 0.457 -14.188 -7.463 1.00 0.00 C ATOM 1195 O THR A 89 1.104 -14.827 -8.290 1.00 0.00 O ATOM 1196 CB THR A 89 1.083 -15.481 -5.406 1.00 0.00 C ATOM 1197 OG1 THR A 89 -0.193 -16.041 -5.190 1.00 0.00 O ATOM 1198 CG2 THR A 89 1.823 -15.372 -4.076 1.00 0.00 C ATOM 0 H THR A 89 -0.731 -13.880 -4.772 1.00 0.00 H new ATOM 0 HA THR A 89 1.902 -13.597 -6.012 1.00 0.00 H new ATOM 0 HB THR A 89 1.650 -16.118 -6.085 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.096 -16.934 -4.797 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.931 -16.364 -3.638 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.809 -14.939 -4.243 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.257 -14.735 -3.396 1.00 0.00 H new ATOM 1206 N THR A 90 -0.676 -13.551 -7.764 1.00 0.00 N ATOM 1207 CA THR A 90 -1.226 -13.570 -9.105 1.00 0.00 C ATOM 1208 C THR A 90 -1.158 -12.177 -9.713 1.00 0.00 C ATOM 1209 O THR A 90 -1.101 -12.030 -10.932 1.00 0.00 O ATOM 1210 CB THR A 90 -2.668 -14.068 -9.055 1.00 0.00 C ATOM 1211 OG1 THR A 90 -2.679 -15.478 -9.066 1.00 0.00 O ATOM 1212 CG2 THR A 90 -3.430 -13.544 -10.269 1.00 0.00 C ATOM 0 H THR A 90 -1.225 -13.017 -7.091 1.00 0.00 H new ATOM 0 HA THR A 90 -0.642 -14.245 -9.731 1.00 0.00 H new ATOM 0 HB THR A 90 -3.145 -13.708 -8.144 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.605 -15.798 -9.032 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.460 -13.900 -10.233 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.422 -12.454 -10.261 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.953 -13.904 -11.181 1.00 0.00 H new ATOM 1220 N ALA A 91 -1.163 -11.151 -8.858 1.00 0.00 N ATOM 1221 CA ALA A 91 -1.103 -9.776 -9.313 1.00 0.00 C ATOM 1222 C ALA A 91 -0.083 -9.005 -8.488 1.00 0.00 C ATOM 1223 O ALA A 91 0.557 -9.569 -7.603 1.00 0.00 O ATOM 1224 CB ALA A 91 -2.486 -9.142 -9.196 1.00 0.00 C ATOM 0 H ALA A 91 -1.208 -11.256 -7.844 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.792 -9.746 -10.357 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.442 -8.108 -9.538 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.194 -9.698 -9.811 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.811 -9.167 -8.156 1.00 0.00 H new ATOM 1230 N ALA A 92 0.067 -7.711 -8.780 1.00 0.00 N ATOM 1231 CA ALA A 92 1.008 -6.870 -8.067 1.00 0.00 C ATOM 1232 C ALA A 92 0.289 -6.123 -6.953 1.00 0.00 C ATOM 1233 O ALA A 92 -0.732 -5.482 -7.191 1.00 0.00 O ATOM 1234 CB ALA A 92 1.657 -5.893 -9.043 1.00 0.00 C ATOM 0 H ALA A 92 -0.458 -7.229 -9.510 1.00 0.00 H new ATOM 0 HA ALA A 92 1.788 -7.487 -7.620 1.00 0.00 H new ATOM 0 HB1 ALA A 92 2.365 -5.260 -8.508 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.183 -6.449 -9.819 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.888 -5.271 -9.500 1.00 0.00 H new ATOM 1240 N CYS A 93 0.825 -6.207 -5.733 1.00 0.00 N ATOM 1241 CA CYS A 93 0.234 -5.541 -4.590 1.00 0.00 C ATOM 1242 C CYS A 93 1.055 -4.311 -4.230 1.00 0.00 C ATOM 1243 O CYS A 93 2.245 -4.246 -4.533 1.00 0.00 O ATOM 1244 CB CYS A 93 0.169 -6.511 -3.414 1.00 0.00 C ATOM 1245 SG CYS A 93 -0.590 -8.104 -3.816 1.00 0.00 S ATOM 0 H CYS A 93 1.672 -6.735 -5.520 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.778 -5.220 -4.834 1.00 0.00 H new ATOM 0 HB2 CYS A 93 1.179 -6.685 -3.043 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.393 -6.047 -2.604 1.00 0.00 H new ATOM 1250 N GLN A 94 0.417 -3.333 -3.582 1.00 0.00 N ATOM 1251 CA GLN A 94 1.091 -2.113 -3.186 1.00 0.00 C ATOM 1252 C GLN A 94 0.492 -1.589 -1.889 1.00 0.00 C ATOM 1253 O GLN A 94 -0.707 -1.728 -1.655 1.00 0.00 O ATOM 1254 CB GLN A 94 0.958 -1.077 -4.299 1.00 0.00 C ATOM 1255 CG GLN A 94 -0.181 -0.117 -3.969 1.00 0.00 C ATOM 1256 CD GLN A 94 -0.781 0.470 -5.238 1.00 0.00 C ATOM 1257 OE1 GLN A 94 -0.196 0.360 -6.313 1.00 0.00 O ATOM 1258 NE2 GLN A 94 -1.954 1.096 -5.111 1.00 0.00 N ATOM 0 H GLN A 94 -0.569 -3.371 -3.324 1.00 0.00 H new ATOM 0 HA GLN A 94 2.149 -2.316 -3.018 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.892 -0.526 -4.410 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.765 -1.573 -5.250 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.953 -0.642 -3.406 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.188 0.686 -3.331 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.401 1.161 -4.196 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.403 1.509 -5.929 1.00 0.00 H new ATOM 1267 N VAL A 95 1.331 -0.985 -1.044 1.00 0.00 N ATOM 1268 CA VAL A 95 0.882 -0.444 0.224 1.00 0.00 C ATOM 1269 C VAL A 95 0.908 1.077 0.172 1.00 0.00 C ATOM 1270 O VAL A 95 1.639 1.661 -0.625 1.00 0.00 O ATOM 1271 CB VAL A 95 1.779 -0.962 1.344 1.00 0.00 C ATOM 1272 CG1 VAL A 95 1.695 -0.020 2.541 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.318 -2.356 1.760 1.00 0.00 C ATOM 0 H VAL A 95 2.327 -0.862 -1.224 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.141 -0.765 0.419 1.00 0.00 H new ATOM 0 HB VAL A 95 2.809 -1.009 0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.336 -0.390 3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.024 0.976 2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.665 0.028 2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.958 -2.727 2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.288 -2.308 2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.378 -3.029 0.905 1.00 0.00 H new ATOM 1283 N GLY A 96 0.107 1.720 1.026 1.00 0.00 N ATOM 1284 CA GLY A 96 0.046 3.167 1.069 1.00 0.00 C ATOM 1285 C GLY A 96 -0.840 3.624 2.219 1.00 0.00 C ATOM 1286 O GLY A 96 -1.493 2.807 2.865 1.00 0.00 O ATOM 0 H GLY A 96 -0.506 1.252 1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.049 3.577 1.189 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.344 3.550 0.126 1.00 0.00 H new ATOM 1290 N LEU A 97 -0.861 4.934 2.474 1.00 0.00 N ATOM 1291 CA LEU A 97 -1.664 5.493 3.543 1.00 0.00 C ATOM 1292 C LEU A 97 -2.497 6.651 3.012 1.00 0.00 C ATOM 1293 O LEU A 97 -1.966 7.560 2.377 1.00 0.00 O ATOM 1294 CB LEU A 97 -0.752 5.957 4.675 1.00 0.00 C ATOM 1295 CG LEU A 97 0.099 7.128 4.194 1.00 0.00 C ATOM 1296 CD1 LEU A 97 0.267 8.135 5.329 1.00 0.00 C ATOM 1297 CD2 LEU A 97 1.470 6.617 3.761 1.00 0.00 C ATOM 0 H LEU A 97 -0.325 5.624 1.947 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.342 4.732 3.929 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.348 6.257 5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.111 5.137 5.000 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.392 7.611 3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.875 8.972 4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.712 8.501 5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.758 7.652 6.174 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.078 7.454 3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.962 6.134 4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.351 5.898 2.951 1.00 0.00 H new ATOM 1309 N SER A 98 -3.805 6.617 3.274 1.00 0.00 N ATOM 1310 CA SER A 98 -4.701 7.663 2.823 1.00 0.00 C ATOM 1311 C SER A 98 -5.344 8.345 4.023 1.00 0.00 C ATOM 1312 O SER A 98 -5.710 7.685 4.993 1.00 0.00 O ATOM 1313 CB SER A 98 -5.765 7.061 1.909 1.00 0.00 C ATOM 1314 OG SER A 98 -5.181 6.720 0.672 1.00 0.00 O ATOM 0 H SER A 98 -4.261 5.870 3.799 1.00 0.00 H new ATOM 0 HA SER A 98 -4.140 8.411 2.263 1.00 0.00 H new ATOM 0 HB2 SER A 98 -6.201 6.177 2.374 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.575 7.774 1.757 1.00 0.00 H new ATOM 0 HG SER A 98 -5.862 6.332 0.084 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.482 9.671 3.954 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.079 10.434 5.032 1.00 0.00 C ATOM 1322 C ASP A 99 -7.419 11.000 4.582 1.00 0.00 C ATOM 1323 O ASP A 99 -7.988 10.540 3.594 1.00 0.00 O ATOM 1324 CB ASP A 99 -5.130 11.556 5.446 1.00 0.00 C ATOM 1325 CG ASP A 99 -5.197 12.715 4.463 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.192 12.429 3.246 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -5.252 13.867 4.946 1.00 0.00 O ATOM 0 H ASP A 99 -5.185 10.233 3.156 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.251 9.785 5.891 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.389 11.906 6.445 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.110 11.175 5.496 1.00 0.00 H new ATOM 1332 N ALA A 100 -7.922 12.000 5.309 1.00 0.00 N ATOM 1333 CA ALA A 100 -9.190 12.620 4.983 1.00 0.00 C ATOM 1334 C ALA A 100 -9.060 13.406 3.686 1.00 0.00 C ATOM 1335 O ALA A 100 -9.966 13.390 2.855 1.00 0.00 O ATOM 1336 CB ALA A 100 -9.618 13.533 6.128 1.00 0.00 C ATOM 0 H ALA A 100 -7.461 12.393 6.130 1.00 0.00 H new ATOM 0 HA ALA A 100 -9.951 11.852 4.845 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.572 14.000 5.884 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.724 12.947 7.041 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -8.864 14.305 6.279 1.00 0.00 H new ATOM 1342 N ALA A 101 -7.929 14.094 3.513 1.00 0.00 N ATOM 1343 CA ALA A 101 -7.688 14.882 2.321 1.00 0.00 C ATOM 1344 C ALA A 101 -7.567 13.965 1.113 1.00 0.00 C ATOM 1345 O ALA A 101 -7.806 14.387 -0.016 1.00 0.00 O ATOM 1346 CB ALA A 101 -6.417 15.705 2.505 1.00 0.00 C ATOM 0 H ALA A 101 -7.168 14.116 4.192 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.524 15.562 2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -6.235 16.298 1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.534 16.369 3.362 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.573 15.037 2.676 1.00 0.00 H new ATOM 1352 N GLY A 102 -7.195 12.705 1.351 1.00 0.00 N ATOM 1353 CA GLY A 102 -7.045 11.740 0.280 1.00 0.00 C ATOM 1354 C GLY A 102 -5.677 11.883 -0.372 1.00 0.00 C ATOM 1355 O GLY A 102 -5.540 11.702 -1.580 1.00 0.00 O ATOM 0 H GLY A 102 -6.994 12.337 2.281 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.165 10.730 0.672 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.827 11.888 -0.464 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.663 12.209 0.433 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.313 12.373 -0.069 1.00 0.00 C ATOM 1361 C ASN A 103 -2.442 11.214 0.395 1.00 0.00 C ATOM 1362 O ASN A 103 -2.938 10.262 0.993 1.00 0.00 O ATOM 1363 CB ASN A 103 -2.749 13.703 0.421 1.00 0.00 C ATOM 1364 CG ASN A 103 -3.235 14.014 1.829 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -2.888 13.151 2.787 1.00 0.00 O flip ATOM 1366 ND2 ASN A 103 -3.914 15.015 2.046 1.00 0.00 N flip ATOM 0 H ASN A 103 -4.760 12.363 1.437 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.325 12.376 -1.159 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -1.660 13.667 0.408 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -3.050 14.502 -0.257 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.153 15.645 1.280 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -4.238 15.216 2.992 1.00 0.00 H new ATOM 1373 N GLY A 104 -1.139 11.296 0.117 1.00 0.00 N ATOM 1374 CA GLY A 104 -0.211 10.254 0.509 1.00 0.00 C ATOM 1375 C GLY A 104 1.130 10.454 -0.185 1.00 0.00 C ATOM 1376 O GLY A 104 1.227 11.212 -1.148 1.00 0.00 O ATOM 0 H GLY A 104 -0.710 12.077 -0.379 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.074 10.267 1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.620 9.277 0.251 1.00 0.00 H new ATOM 1380 N PRO A 105 2.165 9.771 0.309 1.00 0.00 N ATOM 1381 CA PRO A 105 3.511 9.835 -0.221 1.00 0.00 C ATOM 1382 C PRO A 105 3.570 9.101 -1.553 1.00 0.00 C ATOM 1383 O PRO A 105 2.681 8.315 -1.871 1.00 0.00 O ATOM 1384 CB PRO A 105 4.377 9.139 0.827 1.00 0.00 C ATOM 1385 CG PRO A 105 3.416 8.120 1.438 1.00 0.00 C ATOM 1386 CD PRO A 105 2.087 8.872 1.439 1.00 0.00 C ATOM 0 HA PRO A 105 3.847 10.855 -0.405 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.246 8.657 0.379 1.00 0.00 H new ATOM 0 HB3 PRO A 105 4.751 9.840 1.573 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.364 7.206 0.846 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.718 7.831 2.444 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.245 8.186 1.340 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.944 9.420 2.370 1.00 0.00 H new ATOM 1394 N GLU A 106 4.622 9.361 -2.333 1.00 0.00 N ATOM 1395 CA GLU A 106 4.788 8.724 -3.624 1.00 0.00 C ATOM 1396 C GLU A 106 4.284 7.289 -3.564 1.00 0.00 C ATOM 1397 O GLU A 106 4.702 6.517 -2.704 1.00 0.00 O ATOM 1398 CB GLU A 106 6.261 8.764 -4.024 1.00 0.00 C ATOM 1399 CG GLU A 106 7.130 8.627 -2.777 1.00 0.00 C ATOM 1400 CD GLU A 106 8.533 8.162 -3.141 1.00 0.00 C ATOM 1401 OE1 GLU A 106 9.292 9.006 -3.665 1.00 0.00 O ATOM 1402 OE2 GLU A 106 8.820 6.972 -2.889 1.00 0.00 O ATOM 0 H GLU A 106 5.368 10.011 -2.085 1.00 0.00 H new ATOM 0 HA GLU A 106 4.206 9.259 -4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.481 7.958 -4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.485 9.700 -4.535 1.00 0.00 H new ATOM 0 HG2 GLU A 106 7.183 9.584 -2.259 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.674 7.916 -2.088 1.00 0.00 H new ATOM 1409 N GLY A 107 3.384 6.931 -4.483 1.00 0.00 N ATOM 1410 CA GLY A 107 2.832 5.592 -4.527 1.00 0.00 C ATOM 1411 C GLY A 107 3.926 4.562 -4.284 1.00 0.00 C ATOM 1412 O GLY A 107 5.078 4.777 -4.655 1.00 0.00 O ATOM 0 H GLY A 107 3.027 7.558 -5.204 1.00 0.00 H new ATOM 0 HA2 GLY A 107 2.051 5.488 -3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 107 2.365 5.415 -5.496 1.00 0.00 H new ATOM 1416 N VAL A 108 3.563 3.440 -3.659 1.00 0.00 N ATOM 1417 CA VAL A 108 4.512 2.384 -3.369 1.00 0.00 C ATOM 1418 C VAL A 108 4.047 1.084 -4.010 1.00 0.00 C ATOM 1419 O VAL A 108 3.096 0.464 -3.539 1.00 0.00 O ATOM 1420 CB VAL A 108 4.649 2.224 -1.858 1.00 0.00 C ATOM 1421 CG1 VAL A 108 5.225 0.847 -1.542 1.00 0.00 C ATOM 1422 CG2 VAL A 108 5.583 3.302 -1.315 1.00 0.00 C ATOM 0 H VAL A 108 2.612 3.247 -3.346 1.00 0.00 H new ATOM 0 HA VAL A 108 5.487 2.642 -3.782 1.00 0.00 H new ATOM 0 HB VAL A 108 3.669 2.324 -1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.323 0.733 -0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.559 0.076 -1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.205 0.747 -2.008 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.681 3.188 -0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.563 3.203 -1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.172 4.286 -1.540 1.00 0.00 H new ATOM 1432 N ALA A 109 4.721 0.673 -5.086 1.00 0.00 N ATOM 1433 CA ALA A 109 4.373 -0.549 -5.785 1.00 0.00 C ATOM 1434 C ALA A 109 5.169 -1.713 -5.214 1.00 0.00 C ATOM 1435 O ALA A 109 6.284 -1.528 -4.730 1.00 0.00 O ATOM 1436 CB ALA A 109 4.656 -0.379 -7.275 1.00 0.00 C ATOM 0 H ALA A 109 5.512 1.176 -5.487 1.00 0.00 H new ATOM 0 HA ALA A 109 3.312 -0.760 -5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.395 -1.297 -7.802 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.061 0.446 -7.667 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.715 -0.165 -7.422 1.00 0.00 H new ATOM 1442 N ILE A 110 4.594 -2.917 -5.271 1.00 0.00 N ATOM 1443 CA ILE A 110 5.250 -4.105 -4.762 1.00 0.00 C ATOM 1444 C ILE A 110 5.466 -5.099 -5.894 1.00 0.00 C ATOM 1445 O ILE A 110 4.827 -4.999 -6.940 1.00 0.00 O ATOM 1446 CB ILE A 110 4.398 -4.721 -3.655 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.514 -3.644 -3.034 1.00 0.00 C ATOM 1448 CG2 ILE A 110 5.309 -5.312 -2.583 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.034 -4.108 -1.662 1.00 0.00 C ATOM 0 H ILE A 110 3.670 -3.086 -5.669 1.00 0.00 H new ATOM 0 HA ILE A 110 6.223 -3.840 -4.348 1.00 0.00 H new ATOM 0 HB ILE A 110 3.771 -5.508 -4.074 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.070 -2.711 -2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.660 -3.442 -3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.702 -5.752 -1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 110 5.941 -6.082 -3.026 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.936 -4.525 -2.164 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.402 -3.339 -1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.462 -5.030 -1.769 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.894 -4.288 -1.017 1.00 0.00 H new ATOM 1461 N SER A 111 6.369 -6.059 -5.685 1.00 0.00 N ATOM 1462 CA SER A 111 6.662 -7.064 -6.687 1.00 0.00 C ATOM 1463 C SER A 111 6.973 -8.392 -6.011 1.00 0.00 C ATOM 1464 O SER A 111 7.999 -8.528 -5.348 1.00 0.00 O ATOM 1465 CB SER A 111 7.839 -6.602 -7.540 1.00 0.00 C ATOM 1466 OG SER A 111 7.462 -6.600 -8.899 1.00 0.00 O ATOM 0 H SER A 111 6.908 -6.155 -4.824 1.00 0.00 H new ATOM 0 HA SER A 111 5.795 -7.203 -7.333 1.00 0.00 H new ATOM 0 HB2 SER A 111 8.152 -5.603 -7.237 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.693 -7.263 -7.389 1.00 0.00 H new ATOM 0 HG SER A 111 8.217 -6.302 -9.448 1.00 0.00 H new ATOM 1472 N PHE A 112 6.085 -9.374 -6.182 1.00 0.00 N ATOM 1473 CA PHE A 112 6.271 -10.683 -5.590 1.00 0.00 C ATOM 1474 C PHE A 112 7.083 -11.564 -6.529 1.00 0.00 C ATOM 1475 O PHE A 112 6.552 -12.087 -7.506 1.00 0.00 O ATOM 1476 CB PHE A 112 4.909 -11.309 -5.303 1.00 0.00 C ATOM 1477 CG PHE A 112 4.162 -10.636 -4.177 1.00 0.00 C ATOM 1478 CD1 PHE A 112 3.814 -9.284 -4.277 1.00 0.00 C ATOM 1479 CD2 PHE A 112 3.820 -11.364 -3.031 1.00 0.00 C ATOM 1480 CE1 PHE A 112 3.123 -8.659 -3.232 1.00 0.00 C ATOM 1481 CE2 PHE A 112 3.129 -10.740 -1.985 1.00 0.00 C ATOM 1482 CZ PHE A 112 2.780 -9.387 -2.086 1.00 0.00 C ATOM 0 H PHE A 112 5.230 -9.278 -6.729 1.00 0.00 H new ATOM 0 HA PHE A 112 6.817 -10.587 -4.652 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.301 -11.268 -6.207 1.00 0.00 H new ATOM 0 HB3 PHE A 112 5.046 -12.362 -5.059 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.079 -8.723 -5.161 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.089 -12.407 -2.954 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.855 -7.616 -3.310 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.865 -11.301 -1.101 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.246 -8.905 -1.280 1.00 0.00 H new ATOM 1492 N ASN A 113 8.374 -11.727 -6.231 1.00 0.00 N ATOM 1493 CA ASN A 113 9.249 -12.542 -7.049 1.00 0.00 C ATOM 1494 C ASN A 113 10.700 -12.148 -6.809 1.00 0.00 C ATOM 1495 O ASN A 113 11.480 -12.936 -6.279 1.00 0.00 O ATOM 1496 CB ASN A 113 8.878 -12.368 -8.519 1.00 0.00 C ATOM 1497 CG ASN A 113 8.283 -10.989 -8.769 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.830 -9.971 -8.100 1.00 0.00 O flip ATOM 1499 ND2 ASN A 113 7.346 -10.848 -9.551 1.00 0.00 N flip ATOM 0 H ASN A 113 8.830 -11.300 -5.424 1.00 0.00 H new ATOM 0 HA ASN A 113 9.130 -13.591 -6.779 1.00 0.00 H new ATOM 0 HB2 ASN A 113 9.763 -12.505 -9.140 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.162 -13.136 -8.811 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.962 -11.658 -10.039 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.952 -9.921 -9.713 1.00 0.00 H new TER 1506 ASN A 113