USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 691 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 75 ASN : amide:sc= -0.344! C(o=0.0082!,f=-4.7!) USER MOD Set 1.2: A 90 SER OG : rot 84:sc= 0.352 USER MOD Set 2.1: A 21 SER OG : rot -64:sc= -1.81! USER MOD Set 2.2: A 62 ASN : amide:sc= -2.14 X(o=-3.9,f=-4.3) USER MOD Single : A 1 GLY N :NH3+ -129:sc= -0.0942 (180deg=-0.827) USER MOD Single : A 5 SER OG : rot -105:sc= 0.115 USER MOD Single : A 6 HIS : no HD1:sc= -0.0311 X(o=-0.031,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.322 USER MOD Single : A 13 SER OG : rot -174:sc= -1.65 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc=9.75e-05 USER MOD Single : A 20 SER OG : rot 54:sc= -2.57! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -101:sc= 0.627 USER MOD Single : A 30 SER OG : rot 27:sc= 1.25 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -160:sc= -0.232 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 120:sc= -1.21 USER MOD Single : A 50 GLN : amide:sc= -11.2! C(o=-11!,f=-16!) USER MOD Single : A 51 TYR OH : rot 171:sc= -0.43 USER MOD Single : A 56 SER OG : rot 170:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.493 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= -2.95! C(o=-4.1!,f=-3!) USER MOD Single : A 80 SER OG : rot 173:sc= -4.23! USER MOD Single : A 85 GLN :FLIP amide:sc= -5.88! C(o=-6.5!,f=-5.9!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -170:sc= -0.0114 USER MOD Single : A 93 GLN :FLIP amide:sc= -2.67! C(o=-5!,f=-2.7!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -168:sc= -2.24! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.901 -15.638 -33.184 1.00 0.00 N ATOM 2 CA GLY A 1 -10.057 -16.141 -32.385 1.00 0.00 C ATOM 3 C GLY A 1 -10.043 -15.488 -31.008 1.00 0.00 C ATOM 4 O GLY A 1 -10.768 -14.526 -30.755 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.238 -15.305 -34.110 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.445 -14.852 -32.678 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.213 -16.406 -33.321 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.993 -15.916 -32.897 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.001 -17.225 -32.286 1.00 0.00 H new ATOM 10 N PRO A 2 -9.228 -15.993 -30.123 1.00 0.00 N ATOM 11 CA PRO A 2 -9.103 -15.454 -28.737 1.00 0.00 C ATOM 12 C PRO A 2 -8.539 -14.036 -28.733 1.00 0.00 C ATOM 13 O PRO A 2 -8.055 -13.549 -27.711 1.00 0.00 O ATOM 14 CB PRO A 2 -8.152 -16.432 -28.040 1.00 0.00 C ATOM 15 CG PRO A 2 -7.408 -17.124 -29.134 1.00 0.00 C ATOM 16 CD PRO A 2 -8.329 -17.132 -30.355 1.00 0.00 C ATOM 0 HA PRO A 2 -10.068 -15.379 -28.236 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.468 -15.905 -27.374 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.704 -17.147 -27.430 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.475 -16.605 -29.356 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.145 -18.140 -28.841 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -7.766 -17.015 -31.281 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -8.881 -18.068 -30.433 1.00 0.00 H new ATOM 24 N LEU A 3 -8.604 -13.384 -29.890 1.00 0.00 N ATOM 25 CA LEU A 3 -8.096 -12.023 -30.030 1.00 0.00 C ATOM 26 C LEU A 3 -8.979 -11.029 -29.279 1.00 0.00 C ATOM 27 O LEU A 3 -10.199 -11.182 -29.230 1.00 0.00 O ATOM 28 CB LEU A 3 -8.048 -11.640 -31.512 1.00 0.00 C ATOM 29 CG LEU A 3 -6.593 -11.557 -31.973 1.00 0.00 C ATOM 30 CD1 LEU A 3 -5.907 -10.377 -31.281 1.00 0.00 C ATOM 31 CD2 LEU A 3 -5.870 -12.854 -31.607 1.00 0.00 C ATOM 0 H LEU A 3 -9.003 -13.775 -30.743 1.00 0.00 H new ATOM 0 HA LEU A 3 -7.093 -11.988 -29.604 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.587 -12.378 -32.106 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.544 -10.682 -31.667 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.559 -11.414 -33.053 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.869 -10.316 -31.609 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.424 -9.453 -31.540 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.939 -10.520 -30.201 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.832 -12.797 -31.935 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.902 -12.996 -30.527 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.360 -13.695 -32.098 1.00 0.00 H new ATOM 43 N GLY A 4 -8.351 -10.009 -28.699 1.00 0.00 N ATOM 44 CA GLY A 4 -9.088 -8.991 -27.957 1.00 0.00 C ATOM 45 C GLY A 4 -9.381 -9.455 -26.536 1.00 0.00 C ATOM 46 O GLY A 4 -10.169 -8.839 -25.820 1.00 0.00 O ATOM 0 H GLY A 4 -7.341 -9.866 -28.728 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.511 -8.067 -27.930 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.023 -8.768 -28.470 1.00 0.00 H new ATOM 50 N SER A 5 -8.743 -10.549 -26.133 1.00 0.00 N ATOM 51 CA SER A 5 -8.947 -11.087 -24.795 1.00 0.00 C ATOM 52 C SER A 5 -8.036 -10.394 -23.784 1.00 0.00 C ATOM 53 O SER A 5 -8.115 -10.656 -22.585 1.00 0.00 O ATOM 54 CB SER A 5 -8.668 -12.590 -24.789 1.00 0.00 C ATOM 55 OG SER A 5 -7.266 -12.807 -24.886 1.00 0.00 O ATOM 0 H SER A 5 -8.086 -11.076 -26.709 1.00 0.00 H new ATOM 0 HA SER A 5 -9.983 -10.907 -24.510 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.055 -13.040 -23.875 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.181 -13.070 -25.622 1.00 0.00 H new ATOM 0 HG SER A 5 -7.044 -13.110 -25.791 1.00 0.00 H new ATOM 61 N HIS A 6 -7.175 -9.508 -24.275 1.00 0.00 N ATOM 62 CA HIS A 6 -6.258 -8.786 -23.397 1.00 0.00 C ATOM 63 C HIS A 6 -7.007 -7.727 -22.595 1.00 0.00 C ATOM 64 O HIS A 6 -7.842 -8.043 -21.750 1.00 0.00 O ATOM 65 CB HIS A 6 -5.161 -8.109 -24.222 1.00 0.00 C ATOM 66 CG HIS A 6 -4.436 -9.135 -25.052 1.00 0.00 C ATOM 67 ND1 HIS A 6 -3.283 -9.761 -24.610 1.00 0.00 N ATOM 68 CD2 HIS A 6 -4.689 -9.652 -26.300 1.00 0.00 C ATOM 69 CE1 HIS A 6 -2.885 -10.609 -25.575 1.00 0.00 C ATOM 70 NE2 HIS A 6 -3.708 -10.582 -26.628 1.00 0.00 N ATOM 0 H HIS A 6 -7.092 -9.274 -25.264 1.00 0.00 H new ATOM 0 HA HIS A 6 -5.809 -9.504 -22.711 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.598 -7.348 -24.869 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.459 -7.601 -23.561 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.522 -9.378 -26.930 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -2.008 -11.235 -25.507 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -3.633 -11.126 -27.487 1.00 0.00 H new ATOM 79 N LEU A 7 -6.697 -6.466 -22.876 1.00 0.00 N ATOM 80 CA LEU A 7 -7.340 -5.353 -22.186 1.00 0.00 C ATOM 81 C LEU A 7 -7.600 -5.694 -20.725 1.00 0.00 C ATOM 82 O LEU A 7 -8.477 -5.108 -20.093 1.00 0.00 O ATOM 83 CB LEU A 7 -8.662 -5.005 -22.869 1.00 0.00 C ATOM 84 CG LEU A 7 -8.380 -4.365 -24.229 1.00 0.00 C ATOM 85 CD1 LEU A 7 -8.092 -5.456 -25.264 1.00 0.00 C ATOM 86 CD2 LEU A 7 -9.598 -3.549 -24.669 1.00 0.00 C ATOM 0 H LEU A 7 -6.007 -6.189 -23.574 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.668 -4.496 -22.231 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.266 -5.904 -22.996 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.237 -4.321 -22.245 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.512 -3.710 -24.148 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.892 -4.996 -26.232 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.223 -6.035 -24.950 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.956 -6.115 -25.348 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.399 -3.092 -25.638 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -10.466 -4.204 -24.748 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.798 -2.769 -23.934 1.00 0.00 H new ATOM 98 N VAL A 8 -6.832 -6.638 -20.187 1.00 0.00 N ATOM 99 CA VAL A 8 -7.002 -7.027 -18.794 1.00 0.00 C ATOM 100 C VAL A 8 -6.530 -5.899 -17.882 1.00 0.00 C ATOM 101 O VAL A 8 -6.768 -5.921 -16.674 1.00 0.00 O ATOM 102 CB VAL A 8 -6.193 -8.294 -18.493 1.00 0.00 C ATOM 103 CG1 VAL A 8 -6.494 -8.766 -17.066 1.00 0.00 C ATOM 104 CG2 VAL A 8 -6.570 -9.397 -19.485 1.00 0.00 C ATOM 0 H VAL A 8 -6.098 -7.140 -20.687 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.058 -7.227 -18.614 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.130 -8.073 -18.588 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.919 -9.667 -16.852 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.220 -7.984 -16.358 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.558 -8.984 -16.972 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.992 -10.295 -19.267 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.633 -9.619 -19.396 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.353 -9.063 -20.500 1.00 0.00 H new ATOM 114 N ALA A 9 -5.850 -4.918 -18.472 1.00 0.00 N ATOM 115 CA ALA A 9 -5.337 -3.787 -17.706 1.00 0.00 C ATOM 116 C ALA A 9 -4.295 -4.258 -16.698 1.00 0.00 C ATOM 117 O ALA A 9 -3.393 -3.507 -16.325 1.00 0.00 O ATOM 118 CB ALA A 9 -6.482 -3.086 -16.972 1.00 0.00 C ATOM 0 H ALA A 9 -5.643 -4.884 -19.470 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.870 -3.085 -18.397 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.088 -2.244 -16.404 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.212 -2.725 -17.697 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.963 -3.789 -16.292 1.00 0.00 H new ATOM 124 N THR A 10 -4.428 -5.508 -16.263 1.00 0.00 N ATOM 125 CA THR A 10 -3.500 -6.078 -15.297 1.00 0.00 C ATOM 126 C THR A 10 -2.523 -7.032 -15.977 1.00 0.00 C ATOM 127 O THR A 10 -2.904 -7.818 -16.845 1.00 0.00 O ATOM 128 CB THR A 10 -4.280 -6.834 -14.219 1.00 0.00 C ATOM 129 OG1 THR A 10 -5.217 -5.956 -13.612 1.00 0.00 O ATOM 130 CG2 THR A 10 -3.315 -7.366 -13.158 1.00 0.00 C ATOM 0 H THR A 10 -5.168 -6.142 -16.564 1.00 0.00 H new ATOM 0 HA THR A 10 -2.933 -5.264 -14.844 1.00 0.00 H new ATOM 0 HB THR A 10 -4.807 -7.672 -14.676 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.719 -6.439 -12.922 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.876 -7.903 -12.393 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.598 -8.042 -13.624 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.783 -6.533 -12.700 1.00 0.00 H new ATOM 138 N SER A 11 -1.265 -6.962 -15.560 1.00 0.00 N ATOM 139 CA SER A 11 -0.231 -7.828 -16.110 1.00 0.00 C ATOM 140 C SER A 11 0.553 -8.470 -14.970 1.00 0.00 C ATOM 141 O SER A 11 0.179 -9.529 -14.467 1.00 0.00 O ATOM 142 CB SER A 11 0.713 -7.022 -17.004 1.00 0.00 C ATOM 143 OG SER A 11 1.094 -5.829 -16.330 1.00 0.00 O ATOM 0 H SER A 11 -0.937 -6.315 -14.843 1.00 0.00 H new ATOM 0 HA SER A 11 -0.700 -8.607 -16.711 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.596 -7.614 -17.247 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.222 -6.780 -17.946 1.00 0.00 H new ATOM 0 HG SER A 11 1.700 -5.311 -16.899 1.00 0.00 H new ATOM 149 N GLU A 12 1.629 -7.811 -14.550 1.00 0.00 N ATOM 150 CA GLU A 12 2.435 -8.325 -13.448 1.00 0.00 C ATOM 151 C GLU A 12 1.688 -8.148 -12.133 1.00 0.00 C ATOM 152 O GLU A 12 1.649 -9.050 -11.296 1.00 0.00 O ATOM 153 CB GLU A 12 3.763 -7.578 -13.366 1.00 0.00 C ATOM 154 CG GLU A 12 4.651 -8.245 -12.317 1.00 0.00 C ATOM 155 CD GLU A 12 5.214 -9.554 -12.858 1.00 0.00 C ATOM 156 OE1 GLU A 12 5.325 -9.674 -14.066 1.00 0.00 O ATOM 157 OE2 GLU A 12 5.528 -10.417 -12.054 1.00 0.00 O ATOM 0 H GLU A 12 1.959 -6.933 -14.949 1.00 0.00 H new ATOM 0 HA GLU A 12 2.626 -9.383 -13.627 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.258 -7.585 -14.337 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.591 -6.534 -13.104 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.467 -7.576 -12.042 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.076 -8.435 -11.411 1.00 0.00 H new ATOM 164 N SER A 13 1.094 -6.970 -11.964 1.00 0.00 N ATOM 165 CA SER A 13 0.343 -6.664 -10.754 1.00 0.00 C ATOM 166 C SER A 13 1.276 -6.518 -9.555 1.00 0.00 C ATOM 167 O SER A 13 1.087 -5.640 -8.713 1.00 0.00 O ATOM 168 CB SER A 13 -0.676 -7.772 -10.477 1.00 0.00 C ATOM 169 OG SER A 13 -1.161 -8.287 -11.710 1.00 0.00 O ATOM 0 H SER A 13 1.119 -6.214 -12.649 1.00 0.00 H new ATOM 0 HA SER A 13 -0.177 -5.718 -10.907 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.214 -8.569 -9.894 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.502 -7.381 -9.883 1.00 0.00 H new ATOM 0 HG SER A 13 -1.881 -8.929 -11.536 1.00 0.00 H new ATOM 175 N VAL A 14 2.274 -7.388 -9.476 1.00 0.00 N ATOM 176 CA VAL A 14 3.219 -7.352 -8.363 1.00 0.00 C ATOM 177 C VAL A 14 4.631 -7.004 -8.825 1.00 0.00 C ATOM 178 O VAL A 14 5.155 -7.601 -9.764 1.00 0.00 O ATOM 179 CB VAL A 14 3.241 -8.713 -7.670 1.00 0.00 C ATOM 180 CG1 VAL A 14 4.171 -8.655 -6.458 1.00 0.00 C ATOM 181 CG2 VAL A 14 1.825 -9.066 -7.216 1.00 0.00 C ATOM 0 H VAL A 14 2.451 -8.122 -10.162 1.00 0.00 H new ATOM 0 HA VAL A 14 2.888 -6.576 -7.673 1.00 0.00 H new ATOM 0 HB VAL A 14 3.603 -9.473 -8.363 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.186 -9.627 -5.964 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.179 -8.398 -6.785 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.812 -7.899 -5.760 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.833 -10.037 -6.720 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.466 -8.307 -6.521 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.165 -9.107 -8.082 1.00 0.00 H new ATOM 191 N THR A 15 5.253 -6.051 -8.137 1.00 0.00 N ATOM 192 CA THR A 15 6.616 -5.652 -8.464 1.00 0.00 C ATOM 193 C THR A 15 7.443 -5.534 -7.190 1.00 0.00 C ATOM 194 O THR A 15 7.263 -6.325 -6.266 1.00 0.00 O ATOM 195 CB THR A 15 6.631 -4.319 -9.214 1.00 0.00 C ATOM 196 OG1 THR A 15 5.652 -4.341 -10.245 1.00 0.00 O ATOM 197 CG2 THR A 15 8.017 -4.106 -9.827 1.00 0.00 C ATOM 0 H THR A 15 4.838 -5.544 -7.355 1.00 0.00 H new ATOM 0 HA THR A 15 7.049 -6.416 -9.109 1.00 0.00 H new ATOM 0 HB THR A 15 6.406 -3.506 -8.524 1.00 0.00 H new ATOM 0 HG1 THR A 15 5.662 -3.486 -10.724 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.036 -3.157 -10.364 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.766 -4.090 -9.036 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.238 -4.919 -10.519 1.00 0.00 H new ATOM 205 N GLU A 16 8.344 -4.543 -7.151 1.00 0.00 N ATOM 206 CA GLU A 16 9.204 -4.321 -5.987 1.00 0.00 C ATOM 207 C GLU A 16 9.060 -5.457 -4.985 1.00 0.00 C ATOM 208 O GLU A 16 8.708 -5.242 -3.830 1.00 0.00 O ATOM 209 CB GLU A 16 8.843 -2.991 -5.320 1.00 0.00 C ATOM 210 CG GLU A 16 9.190 -1.835 -6.261 1.00 0.00 C ATOM 211 CD GLU A 16 10.688 -1.820 -6.541 1.00 0.00 C ATOM 212 OE1 GLU A 16 11.420 -2.427 -5.777 1.00 0.00 O ATOM 213 OE2 GLU A 16 11.080 -1.201 -7.516 1.00 0.00 O ATOM 0 H GLU A 16 8.494 -3.883 -7.914 1.00 0.00 H new ATOM 0 HA GLU A 16 10.240 -4.288 -6.325 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.780 -2.970 -5.078 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.386 -2.884 -4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.638 -1.938 -7.195 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.886 -0.888 -5.814 1.00 0.00 H new ATOM 220 N ILE A 17 9.313 -6.674 -5.447 1.00 0.00 N ATOM 221 CA ILE A 17 9.183 -7.842 -4.593 1.00 0.00 C ATOM 222 C ILE A 17 10.187 -7.795 -3.447 1.00 0.00 C ATOM 223 O ILE A 17 9.989 -8.437 -2.415 1.00 0.00 O ATOM 224 CB ILE A 17 9.387 -9.111 -5.415 1.00 0.00 C ATOM 225 CG1 ILE A 17 8.378 -9.123 -6.568 1.00 0.00 C ATOM 226 CG2 ILE A 17 9.157 -10.330 -4.522 1.00 0.00 C ATOM 227 CD1 ILE A 17 8.635 -10.335 -7.464 1.00 0.00 C ATOM 0 H ILE A 17 9.607 -6.876 -6.403 1.00 0.00 H new ATOM 0 HA ILE A 17 8.180 -7.845 -4.167 1.00 0.00 H new ATOM 0 HB ILE A 17 10.401 -9.139 -5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.362 -9.158 -6.175 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.464 -8.205 -7.149 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.301 -11.240 -5.104 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.865 -10.313 -3.694 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.140 -10.307 -4.130 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.916 -10.341 -8.283 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.646 -10.281 -7.869 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.527 -11.249 -6.880 1.00 0.00 H new ATOM 239 N THR A 18 11.256 -7.024 -3.620 1.00 0.00 N ATOM 240 CA THR A 18 12.260 -6.910 -2.570 1.00 0.00 C ATOM 241 C THR A 18 11.575 -6.514 -1.268 1.00 0.00 C ATOM 242 O THR A 18 10.707 -5.641 -1.257 1.00 0.00 O ATOM 243 CB THR A 18 13.304 -5.856 -2.947 1.00 0.00 C ATOM 244 OG1 THR A 18 13.759 -6.094 -4.272 1.00 0.00 O ATOM 245 CG2 THR A 18 14.487 -5.935 -1.981 1.00 0.00 C ATOM 0 H THR A 18 11.447 -6.479 -4.461 1.00 0.00 H new ATOM 0 HA THR A 18 12.763 -7.869 -2.446 1.00 0.00 H new ATOM 0 HB THR A 18 12.854 -4.865 -2.887 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.426 -5.419 -4.515 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.229 -5.184 -2.252 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.139 -5.752 -0.964 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.937 -6.926 -2.037 1.00 0.00 H new ATOM 253 N ALA A 19 11.943 -7.176 -0.178 1.00 0.00 N ATOM 254 CA ALA A 19 11.320 -6.893 1.107 1.00 0.00 C ATOM 255 C ALA A 19 9.851 -7.287 1.043 1.00 0.00 C ATOM 256 O ALA A 19 9.042 -6.859 1.865 1.00 0.00 O ATOM 257 CB ALA A 19 11.445 -5.405 1.446 1.00 0.00 C ATOM 0 H ALA A 19 12.659 -7.902 -0.158 1.00 0.00 H new ATOM 0 HA ALA A 19 11.824 -7.467 1.885 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.974 -5.211 2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.499 -5.130 1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.951 -4.813 0.675 1.00 0.00 H new ATOM 263 N SER A 20 9.521 -8.104 0.044 1.00 0.00 N ATOM 264 CA SER A 20 8.152 -8.568 -0.151 1.00 0.00 C ATOM 265 C SER A 20 7.198 -7.399 -0.387 1.00 0.00 C ATOM 266 O SER A 20 6.016 -7.482 -0.053 1.00 0.00 O ATOM 267 CB SER A 20 7.687 -9.369 1.066 1.00 0.00 C ATOM 268 OG SER A 20 8.377 -8.917 2.223 1.00 0.00 O ATOM 0 H SER A 20 10.186 -8.458 -0.643 1.00 0.00 H new ATOM 0 HA SER A 20 8.141 -9.206 -1.035 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.612 -9.252 1.202 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.875 -10.431 0.909 1.00 0.00 H new ATOM 0 HG SER A 20 8.268 -7.947 2.311 1.00 0.00 H new ATOM 274 N SER A 21 7.708 -6.315 -0.962 1.00 0.00 N ATOM 275 CA SER A 21 6.866 -5.152 -1.224 1.00 0.00 C ATOM 276 C SER A 21 5.724 -5.517 -2.165 1.00 0.00 C ATOM 277 O SER A 21 5.936 -6.100 -3.229 1.00 0.00 O ATOM 278 CB SER A 21 7.685 -4.024 -1.849 1.00 0.00 C ATOM 279 OG SER A 21 7.219 -3.788 -3.170 1.00 0.00 O ATOM 0 H SER A 21 8.681 -6.216 -1.251 1.00 0.00 H new ATOM 0 HA SER A 21 6.457 -4.817 -0.271 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.594 -3.117 -1.251 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.742 -4.291 -1.865 1.00 0.00 H new ATOM 0 HG SER A 21 7.379 -4.583 -3.720 1.00 0.00 H new ATOM 285 N PHE A 22 4.514 -5.155 -1.763 1.00 0.00 N ATOM 286 CA PHE A 22 3.330 -5.428 -2.569 1.00 0.00 C ATOM 287 C PHE A 22 2.959 -4.232 -3.424 1.00 0.00 C ATOM 288 O PHE A 22 3.061 -3.091 -2.989 1.00 0.00 O ATOM 289 CB PHE A 22 2.119 -5.720 -1.684 1.00 0.00 C ATOM 290 CG PHE A 22 2.211 -7.042 -0.953 1.00 0.00 C ATOM 291 CD1 PHE A 22 3.129 -8.046 -1.317 1.00 0.00 C ATOM 292 CD2 PHE A 22 1.316 -7.269 0.092 1.00 0.00 C ATOM 293 CE1 PHE A 22 3.135 -9.264 -0.625 1.00 0.00 C ATOM 294 CE2 PHE A 22 1.331 -8.480 0.782 1.00 0.00 C ATOM 295 CZ PHE A 22 2.235 -9.477 0.423 1.00 0.00 C ATOM 0 H PHE A 22 4.325 -4.672 -0.885 1.00 0.00 H new ATOM 0 HA PHE A 22 3.577 -6.288 -3.191 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.010 -4.917 -0.955 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.219 -5.716 -2.300 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.825 -7.878 -2.126 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.607 -6.502 0.368 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.835 -10.039 -0.901 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.641 -8.645 1.596 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.241 -10.417 0.956 1.00 0.00 H new ATOM 305 N VAL A 23 2.461 -4.510 -4.616 1.00 0.00 N ATOM 306 CA VAL A 23 1.999 -3.454 -5.497 1.00 0.00 C ATOM 307 C VAL A 23 0.526 -3.695 -5.787 1.00 0.00 C ATOM 308 O VAL A 23 0.176 -4.577 -6.571 1.00 0.00 O ATOM 309 CB VAL A 23 2.788 -3.442 -6.803 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.054 -2.565 -7.818 1.00 0.00 C ATOM 311 CG2 VAL A 23 4.181 -2.862 -6.552 1.00 0.00 C ATOM 0 H VAL A 23 2.367 -5.453 -4.994 1.00 0.00 H new ATOM 0 HA VAL A 23 2.146 -2.488 -5.014 1.00 0.00 H new ATOM 0 HB VAL A 23 2.881 -4.458 -7.186 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.610 -2.550 -8.755 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.057 -2.969 -7.994 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.971 -1.550 -7.429 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.745 -2.853 -7.485 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.089 -1.844 -6.174 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.704 -3.475 -5.818 1.00 0.00 H new ATOM 321 N VAL A 24 -0.335 -2.929 -5.131 1.00 0.00 N ATOM 322 CA VAL A 24 -1.771 -3.099 -5.309 1.00 0.00 C ATOM 323 C VAL A 24 -2.397 -1.886 -5.977 1.00 0.00 C ATOM 324 O VAL A 24 -2.079 -0.743 -5.646 1.00 0.00 O ATOM 325 CB VAL A 24 -2.435 -3.336 -3.952 1.00 0.00 C ATOM 326 CG1 VAL A 24 -3.952 -3.420 -4.133 1.00 0.00 C ATOM 327 CG2 VAL A 24 -1.922 -4.651 -3.361 1.00 0.00 C ATOM 0 H VAL A 24 -0.069 -2.192 -4.478 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.929 -3.962 -5.956 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.194 -2.512 -3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.425 -3.589 -3.166 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.320 -2.486 -4.559 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.193 -4.245 -4.804 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.393 -4.823 -2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.166 -5.472 -4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.841 -4.595 -3.233 1.00 0.00 H new ATOM 337 N SER A 25 -3.301 -2.149 -6.912 1.00 0.00 N ATOM 338 CA SER A 25 -3.989 -1.084 -7.621 1.00 0.00 C ATOM 339 C SER A 25 -5.492 -1.289 -7.521 1.00 0.00 C ATOM 340 O SER A 25 -5.967 -2.414 -7.357 1.00 0.00 O ATOM 341 CB SER A 25 -3.565 -1.060 -9.089 1.00 0.00 C ATOM 342 OG SER A 25 -3.984 -2.264 -9.720 1.00 0.00 O ATOM 0 H SER A 25 -3.573 -3.090 -7.195 1.00 0.00 H new ATOM 0 HA SER A 25 -3.723 -0.130 -7.166 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.006 -0.200 -9.593 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.483 -0.954 -9.165 1.00 0.00 H new ATOM 0 HG SER A 25 -3.715 -2.250 -10.662 1.00 0.00 H new ATOM 348 N TRP A 26 -6.236 -0.198 -7.605 1.00 0.00 N ATOM 349 CA TRP A 26 -7.684 -0.271 -7.506 1.00 0.00 C ATOM 350 C TRP A 26 -8.334 0.757 -8.420 1.00 0.00 C ATOM 351 O TRP A 26 -7.658 1.423 -9.205 1.00 0.00 O ATOM 352 CB TRP A 26 -8.103 0.004 -6.066 1.00 0.00 C ATOM 353 CG TRP A 26 -7.450 1.268 -5.613 1.00 0.00 C ATOM 354 CD1 TRP A 26 -7.921 2.515 -5.842 1.00 0.00 C ATOM 355 CD2 TRP A 26 -6.208 1.430 -4.871 1.00 0.00 C ATOM 356 NE1 TRP A 26 -7.051 3.432 -5.279 1.00 0.00 N ATOM 357 CE2 TRP A 26 -5.979 2.812 -4.670 1.00 0.00 C ATOM 358 CE3 TRP A 26 -5.270 0.520 -4.355 1.00 0.00 C ATOM 359 CZ2 TRP A 26 -4.855 3.273 -3.980 1.00 0.00 C ATOM 360 CZ3 TRP A 26 -4.138 0.980 -3.661 1.00 0.00 C ATOM 361 CH2 TRP A 26 -3.931 2.354 -3.473 1.00 0.00 C ATOM 0 H TRP A 26 -5.864 0.742 -7.741 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.007 -1.267 -7.809 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -9.187 0.093 -5.998 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -7.810 -0.825 -5.422 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.828 2.756 -6.377 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.186 4.443 -5.310 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -5.420 -0.541 -4.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -4.701 4.333 -3.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.423 0.271 -3.270 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -3.060 2.702 -2.938 1.00 0.00 H new ATOM 372 N VAL A 27 -9.648 0.890 -8.301 1.00 0.00 N ATOM 373 CA VAL A 27 -10.383 1.852 -9.108 1.00 0.00 C ATOM 374 C VAL A 27 -10.958 2.940 -8.210 1.00 0.00 C ATOM 375 O VAL A 27 -11.572 2.648 -7.184 1.00 0.00 O ATOM 376 CB VAL A 27 -11.510 1.149 -9.865 1.00 0.00 C ATOM 377 CG1 VAL A 27 -12.191 2.144 -10.804 1.00 0.00 C ATOM 378 CG2 VAL A 27 -10.926 -0.006 -10.682 1.00 0.00 C ATOM 0 H VAL A 27 -10.223 0.347 -7.657 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.704 2.305 -9.831 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.241 0.762 -9.155 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.995 1.643 -11.344 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.603 2.969 -10.223 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.461 2.530 -11.516 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.727 -0.510 -11.223 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.197 0.383 -11.392 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.438 -0.715 -10.013 1.00 0.00 H new ATOM 388 N SER A 28 -10.748 4.193 -8.593 1.00 0.00 N ATOM 389 CA SER A 28 -11.243 5.311 -7.800 1.00 0.00 C ATOM 390 C SER A 28 -12.732 5.155 -7.521 1.00 0.00 C ATOM 391 O SER A 28 -13.213 5.527 -6.453 1.00 0.00 O ATOM 392 CB SER A 28 -10.996 6.628 -8.534 1.00 0.00 C ATOM 393 OG SER A 28 -11.369 7.712 -7.692 1.00 0.00 O ATOM 0 H SER A 28 -10.244 4.459 -9.439 1.00 0.00 H new ATOM 0 HA SER A 28 -10.706 5.320 -6.852 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.945 6.712 -8.810 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.572 6.656 -9.459 1.00 0.00 H new ATOM 0 HG SER A 28 -12.247 8.052 -7.965 1.00 0.00 H new ATOM 399 N ALA A 29 -13.457 4.594 -8.481 1.00 0.00 N ATOM 400 CA ALA A 29 -14.890 4.387 -8.314 1.00 0.00 C ATOM 401 C ALA A 29 -15.613 5.709 -8.103 1.00 0.00 C ATOM 402 O ALA A 29 -16.842 5.758 -8.075 1.00 0.00 O ATOM 403 CB ALA A 29 -15.142 3.474 -7.114 1.00 0.00 C ATOM 0 H ALA A 29 -13.081 4.277 -9.375 1.00 0.00 H new ATOM 0 HA ALA A 29 -15.275 3.923 -9.222 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.214 3.321 -6.992 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.655 2.513 -7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.737 3.936 -6.214 1.00 0.00 H new ATOM 409 N SER A 30 -14.846 6.780 -7.945 1.00 0.00 N ATOM 410 CA SER A 30 -15.437 8.091 -7.726 1.00 0.00 C ATOM 411 C SER A 30 -14.392 9.188 -7.881 1.00 0.00 C ATOM 412 O SER A 30 -13.299 9.095 -7.328 1.00 0.00 O ATOM 413 CB SER A 30 -16.033 8.148 -6.323 1.00 0.00 C ATOM 414 OG SER A 30 -17.360 7.638 -6.350 1.00 0.00 O ATOM 0 H SER A 30 -13.826 6.767 -7.964 1.00 0.00 H new ATOM 0 HA SER A 30 -16.218 8.251 -8.469 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.422 7.566 -5.633 1.00 0.00 H new ATOM 0 HB3 SER A 30 -16.034 9.175 -5.958 1.00 0.00 H new ATOM 0 HG SER A 30 -17.451 7.003 -7.091 1.00 0.00 H new ATOM 420 N ASP A 31 -14.736 10.227 -8.630 1.00 0.00 N ATOM 421 CA ASP A 31 -13.817 11.338 -8.840 1.00 0.00 C ATOM 422 C ASP A 31 -14.011 12.402 -7.764 1.00 0.00 C ATOM 423 O ASP A 31 -13.414 13.477 -7.826 1.00 0.00 O ATOM 424 CB ASP A 31 -14.042 11.953 -10.223 1.00 0.00 C ATOM 425 CG ASP A 31 -13.651 10.954 -11.306 1.00 0.00 C ATOM 426 OD1 ASP A 31 -12.874 10.062 -11.010 1.00 0.00 O ATOM 427 OD2 ASP A 31 -14.130 11.099 -12.420 1.00 0.00 O ATOM 0 H ASP A 31 -15.637 10.324 -9.099 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.797 10.958 -8.779 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.088 12.237 -10.338 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.452 12.864 -10.326 1.00 0.00 H new ATOM 432 N THR A 32 -14.847 12.093 -6.778 1.00 0.00 N ATOM 433 CA THR A 32 -15.110 13.030 -5.691 1.00 0.00 C ATOM 434 C THR A 32 -14.193 12.737 -4.509 1.00 0.00 C ATOM 435 O THR A 32 -14.189 13.463 -3.516 1.00 0.00 O ATOM 436 CB THR A 32 -16.570 12.916 -5.243 1.00 0.00 C ATOM 437 OG1 THR A 32 -17.366 12.479 -6.337 1.00 0.00 O ATOM 438 CG2 THR A 32 -17.071 14.277 -4.761 1.00 0.00 C ATOM 0 H THR A 32 -15.350 11.209 -6.709 1.00 0.00 H new ATOM 0 HA THR A 32 -14.919 14.041 -6.050 1.00 0.00 H new ATOM 0 HB THR A 32 -16.642 12.197 -4.427 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.301 12.404 -6.052 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.110 14.191 -4.443 1.00 0.00 H new ATOM 0 HG22 THR A 32 -16.462 14.613 -3.922 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.999 15.000 -5.574 1.00 0.00 H new ATOM 446 N VAL A 33 -13.411 11.667 -4.628 1.00 0.00 N ATOM 447 CA VAL A 33 -12.490 11.285 -3.570 1.00 0.00 C ATOM 448 C VAL A 33 -11.441 12.376 -3.368 1.00 0.00 C ATOM 449 O VAL A 33 -10.937 12.948 -4.334 1.00 0.00 O ATOM 450 CB VAL A 33 -11.818 9.950 -3.927 1.00 0.00 C ATOM 451 CG1 VAL A 33 -11.337 9.973 -5.379 1.00 0.00 C ATOM 452 CG2 VAL A 33 -10.622 9.706 -3.007 1.00 0.00 C ATOM 0 H VAL A 33 -13.399 11.054 -5.443 1.00 0.00 H new ATOM 0 HA VAL A 33 -13.042 11.163 -2.638 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.547 9.150 -3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.863 9.022 -5.620 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.188 10.133 -6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.618 10.781 -5.511 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.151 8.758 -3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.900 10.514 -3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.961 9.672 -1.971 1.00 0.00 H new ATOM 462 N SER A 34 -11.127 12.662 -2.107 1.00 0.00 N ATOM 463 CA SER A 34 -10.139 13.687 -1.780 1.00 0.00 C ATOM 464 C SER A 34 -8.776 13.042 -1.569 1.00 0.00 C ATOM 465 O SER A 34 -7.748 13.717 -1.527 1.00 0.00 O ATOM 466 CB SER A 34 -10.559 14.432 -0.512 1.00 0.00 C ATOM 467 OG SER A 34 -11.545 15.401 -0.841 1.00 0.00 O ATOM 0 H SER A 34 -11.541 12.200 -1.297 1.00 0.00 H new ATOM 0 HA SER A 34 -10.077 14.396 -2.606 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.954 13.730 0.222 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.694 14.916 -0.058 1.00 0.00 H new ATOM 0 HG SER A 34 -11.588 16.078 -0.133 1.00 0.00 H new ATOM 473 N GLY A 35 -8.791 11.723 -1.442 1.00 0.00 N ATOM 474 CA GLY A 35 -7.572 10.956 -1.242 1.00 0.00 C ATOM 475 C GLY A 35 -7.915 9.487 -1.032 1.00 0.00 C ATOM 476 O GLY A 35 -9.085 9.120 -0.978 1.00 0.00 O ATOM 0 H GLY A 35 -9.641 11.159 -1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.917 11.066 -2.106 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.028 11.339 -0.378 1.00 0.00 H new ATOM 480 N PHE A 36 -6.895 8.655 -0.897 1.00 0.00 N ATOM 481 CA PHE A 36 -7.118 7.233 -0.670 1.00 0.00 C ATOM 482 C PHE A 36 -6.384 6.776 0.575 1.00 0.00 C ATOM 483 O PHE A 36 -5.349 7.331 0.937 1.00 0.00 O ATOM 484 CB PHE A 36 -6.639 6.410 -1.865 1.00 0.00 C ATOM 485 CG PHE A 36 -7.562 6.632 -3.033 1.00 0.00 C ATOM 486 CD1 PHE A 36 -8.730 5.870 -3.157 1.00 0.00 C ATOM 487 CD2 PHE A 36 -7.252 7.600 -3.990 1.00 0.00 C ATOM 488 CE1 PHE A 36 -9.590 6.080 -4.242 1.00 0.00 C ATOM 489 CE2 PHE A 36 -8.109 7.810 -5.074 1.00 0.00 C ATOM 490 CZ PHE A 36 -9.278 7.050 -5.201 1.00 0.00 C ATOM 0 H PHE A 36 -5.915 8.933 -0.940 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.189 7.080 -0.539 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.622 6.697 -2.133 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.614 5.352 -1.604 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.968 5.121 -2.416 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.350 8.186 -3.893 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.492 5.494 -4.338 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.869 8.559 -5.814 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.939 7.212 -6.039 1.00 0.00 H new ATOM 500 N ARG A 37 -6.915 5.751 1.217 1.00 0.00 N ATOM 501 CA ARG A 37 -6.282 5.218 2.409 1.00 0.00 C ATOM 502 C ARG A 37 -6.111 3.715 2.269 1.00 0.00 C ATOM 503 O ARG A 37 -7.080 2.982 2.076 1.00 0.00 O ATOM 504 CB ARG A 37 -7.124 5.532 3.648 1.00 0.00 C ATOM 505 CG ARG A 37 -6.332 5.158 4.903 1.00 0.00 C ATOM 506 CD ARG A 37 -7.134 5.533 6.150 1.00 0.00 C ATOM 507 NE ARG A 37 -8.284 4.649 6.293 1.00 0.00 N ATOM 508 CZ ARG A 37 -9.002 4.628 7.411 1.00 0.00 C ATOM 509 NH1 ARG A 37 -8.663 5.382 8.421 1.00 0.00 N ATOM 510 NH2 ARG A 37 -10.042 3.845 7.503 1.00 0.00 N ATOM 0 H ARG A 37 -7.773 5.276 0.937 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.304 5.685 2.526 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.382 6.591 3.668 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.061 4.976 3.616 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.118 4.089 4.904 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.373 5.675 4.907 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.500 5.463 7.034 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.468 6.568 6.079 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.542 4.035 5.521 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.846 5.989 8.353 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.215 5.365 9.278 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.303 3.250 6.717 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.594 3.828 8.361 1.00 0.00 H new ATOM 524 N VAL A 38 -4.871 3.263 2.363 1.00 0.00 N ATOM 525 CA VAL A 38 -4.588 1.838 2.237 1.00 0.00 C ATOM 526 C VAL A 38 -4.243 1.245 3.593 1.00 0.00 C ATOM 527 O VAL A 38 -3.443 1.804 4.340 1.00 0.00 O ATOM 528 CB VAL A 38 -3.436 1.612 1.255 1.00 0.00 C ATOM 529 CG1 VAL A 38 -3.194 0.112 1.074 1.00 0.00 C ATOM 530 CG2 VAL A 38 -3.798 2.232 -0.095 1.00 0.00 C ATOM 0 H VAL A 38 -4.053 3.851 2.524 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.479 1.340 1.855 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.531 2.077 1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.373 -0.042 0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.940 -0.334 2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.097 -0.358 0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.981 2.074 -0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.704 1.763 -0.480 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.968 3.301 0.030 1.00 0.00 H new ATOM 540 N GLU A 39 -4.856 0.108 3.907 1.00 0.00 N ATOM 541 CA GLU A 39 -4.605 -0.544 5.181 1.00 0.00 C ATOM 542 C GLU A 39 -4.125 -1.969 4.971 1.00 0.00 C ATOM 543 O GLU A 39 -4.703 -2.714 4.185 1.00 0.00 O ATOM 544 CB GLU A 39 -5.881 -0.584 6.019 1.00 0.00 C ATOM 545 CG GLU A 39 -5.562 -1.157 7.403 1.00 0.00 C ATOM 546 CD GLU A 39 -6.855 -1.486 8.142 1.00 0.00 C ATOM 547 OE1 GLU A 39 -7.912 -1.180 7.613 1.00 0.00 O ATOM 548 OE2 GLU A 39 -6.770 -2.045 9.223 1.00 0.00 O ATOM 0 H GLU A 39 -5.522 -0.374 3.303 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.836 0.029 5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.298 0.419 6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.635 -1.196 5.525 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.952 -2.055 7.302 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.978 -0.438 7.978 1.00 0.00 H new ATOM 555 N TYR A 40 -3.080 -2.349 5.693 1.00 0.00 N ATOM 556 CA TYR A 40 -2.556 -3.700 5.583 1.00 0.00 C ATOM 557 C TYR A 40 -2.153 -4.236 6.954 1.00 0.00 C ATOM 558 O TYR A 40 -1.551 -3.527 7.763 1.00 0.00 O ATOM 559 CB TYR A 40 -1.367 -3.733 4.619 1.00 0.00 C ATOM 560 CG TYR A 40 -0.254 -2.856 5.134 1.00 0.00 C ATOM 561 CD1 TYR A 40 -0.211 -1.502 4.775 1.00 0.00 C ATOM 562 CD2 TYR A 40 0.740 -3.395 5.958 1.00 0.00 C ATOM 563 CE1 TYR A 40 0.825 -0.688 5.241 1.00 0.00 C ATOM 564 CE2 TYR A 40 1.779 -2.580 6.423 1.00 0.00 C ATOM 565 CZ TYR A 40 1.820 -1.226 6.066 1.00 0.00 C ATOM 566 OH TYR A 40 2.842 -0.423 6.525 1.00 0.00 O ATOM 0 H TYR A 40 -2.585 -1.749 6.352 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.341 -4.343 5.185 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.010 -4.757 4.505 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.680 -3.393 3.632 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.979 -1.088 4.138 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.706 -4.438 6.235 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.858 0.356 4.965 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.549 -2.995 7.057 1.00 0.00 H new ATOM 0 HH TYR A 40 3.447 -0.952 7.086 1.00 0.00 H new ATOM 576 N GLU A 41 -2.500 -5.494 7.205 1.00 0.00 N ATOM 577 CA GLU A 41 -2.186 -6.135 8.477 1.00 0.00 C ATOM 578 C GLU A 41 -1.937 -7.621 8.261 1.00 0.00 C ATOM 579 O GLU A 41 -2.377 -8.188 7.266 1.00 0.00 O ATOM 580 CB GLU A 41 -3.351 -5.952 9.454 1.00 0.00 C ATOM 581 CG GLU A 41 -4.508 -6.866 9.042 1.00 0.00 C ATOM 582 CD GLU A 41 -5.719 -6.605 9.930 1.00 0.00 C ATOM 583 OE1 GLU A 41 -5.594 -5.815 10.853 1.00 0.00 O ATOM 584 OE2 GLU A 41 -6.755 -7.197 9.675 1.00 0.00 O ATOM 0 H GLU A 41 -2.999 -6.090 6.544 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.289 -5.674 8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.030 -6.188 10.468 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.678 -4.912 9.457 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.767 -6.690 7.998 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.205 -7.910 9.124 1.00 0.00 H new ATOM 591 N LEU A 42 -1.238 -8.251 9.196 1.00 0.00 N ATOM 592 CA LEU A 42 -0.953 -9.677 9.079 1.00 0.00 C ATOM 593 C LEU A 42 -2.197 -10.504 9.373 1.00 0.00 C ATOM 594 O LEU A 42 -2.889 -10.275 10.363 1.00 0.00 O ATOM 595 CB LEU A 42 0.160 -10.068 10.047 1.00 0.00 C ATOM 596 CG LEU A 42 1.472 -9.427 9.599 1.00 0.00 C ATOM 597 CD1 LEU A 42 2.450 -9.405 10.771 1.00 0.00 C ATOM 598 CD2 LEU A 42 2.072 -10.250 8.457 1.00 0.00 C ATOM 0 H LEU A 42 -0.862 -7.806 10.033 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.634 -9.878 8.056 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.090 -9.742 11.057 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.265 -11.152 10.079 1.00 0.00 H new ATOM 0 HG LEU A 42 1.284 -8.408 9.259 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.387 -8.948 10.454 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.023 -8.827 11.590 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.639 -10.425 11.107 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.009 -9.796 8.134 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.262 -11.267 8.802 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.374 -10.275 7.620 1.00 0.00 H new ATOM 610 N SER A 43 -2.470 -11.468 8.502 1.00 0.00 N ATOM 611 CA SER A 43 -3.630 -12.333 8.672 1.00 0.00 C ATOM 612 C SER A 43 -3.351 -13.390 9.735 1.00 0.00 C ATOM 613 O SER A 43 -4.263 -14.066 10.208 1.00 0.00 O ATOM 614 CB SER A 43 -3.963 -13.023 7.349 1.00 0.00 C ATOM 615 OG SER A 43 -3.088 -14.129 7.162 1.00 0.00 O ATOM 0 H SER A 43 -1.907 -11.669 7.675 1.00 0.00 H new ATOM 0 HA SER A 43 -4.475 -11.722 8.988 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.999 -13.361 7.353 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.860 -12.320 6.523 1.00 0.00 H new ATOM 0 HG SER A 43 -3.613 -14.954 7.097 1.00 0.00 H new ATOM 621 N GLU A 44 -2.080 -13.531 10.098 1.00 0.00 N ATOM 622 CA GLU A 44 -1.684 -14.515 11.098 1.00 0.00 C ATOM 623 C GLU A 44 -1.512 -13.865 12.464 1.00 0.00 C ATOM 624 O GLU A 44 -2.329 -14.057 13.365 1.00 0.00 O ATOM 625 CB GLU A 44 -0.364 -15.174 10.689 1.00 0.00 C ATOM 626 CG GLU A 44 -0.500 -15.768 9.286 1.00 0.00 C ATOM 627 CD GLU A 44 0.767 -16.533 8.920 1.00 0.00 C ATOM 628 OE1 GLU A 44 1.720 -16.456 9.677 1.00 0.00 O ATOM 629 OE2 GLU A 44 0.765 -17.182 7.888 1.00 0.00 O ATOM 0 H GLU A 44 -1.311 -12.980 9.717 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.471 -15.266 11.161 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.442 -14.440 10.708 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.100 -15.955 11.402 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.362 -16.434 9.246 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.677 -14.974 8.561 1.00 0.00 H new ATOM 636 N GLU A 45 -0.432 -13.109 12.611 1.00 0.00 N ATOM 637 CA GLU A 45 -0.138 -12.444 13.869 1.00 0.00 C ATOM 638 C GLU A 45 -1.253 -11.483 14.256 1.00 0.00 C ATOM 639 O GLU A 45 -1.551 -11.308 15.439 1.00 0.00 O ATOM 640 CB GLU A 45 1.172 -11.676 13.736 1.00 0.00 C ATOM 641 CG GLU A 45 2.299 -12.668 13.466 1.00 0.00 C ATOM 642 CD GLU A 45 2.516 -13.546 14.691 1.00 0.00 C ATOM 643 OE1 GLU A 45 2.031 -13.181 15.748 1.00 0.00 O ATOM 644 OE2 GLU A 45 3.165 -14.569 14.553 1.00 0.00 O ATOM 0 H GLU A 45 0.253 -12.942 11.874 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.054 -13.200 14.649 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.104 -10.952 12.924 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.374 -11.114 14.648 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.053 -13.286 12.603 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.217 -12.133 13.223 1.00 0.00 H new ATOM 651 N GLY A 46 -1.864 -10.860 13.256 1.00 0.00 N ATOM 652 CA GLY A 46 -2.942 -9.914 13.511 1.00 0.00 C ATOM 653 C GLY A 46 -2.380 -8.605 14.045 1.00 0.00 C ATOM 654 O GLY A 46 -3.101 -7.803 14.639 1.00 0.00 O ATOM 0 H GLY A 46 -1.634 -10.991 12.271 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.499 -9.731 12.592 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.644 -10.337 14.230 1.00 0.00 H new ATOM 658 N ASP A 47 -1.085 -8.399 13.830 1.00 0.00 N ATOM 659 CA ASP A 47 -0.428 -7.186 14.296 1.00 0.00 C ATOM 660 C ASP A 47 -1.317 -5.976 14.060 1.00 0.00 C ATOM 661 O ASP A 47 -2.373 -6.079 13.437 1.00 0.00 O ATOM 662 CB ASP A 47 0.902 -6.996 13.568 1.00 0.00 C ATOM 663 CG ASP A 47 1.583 -5.717 14.038 1.00 0.00 C ATOM 664 OD1 ASP A 47 1.260 -5.262 15.122 1.00 0.00 O ATOM 665 OD2 ASP A 47 2.425 -5.219 13.310 1.00 0.00 O ATOM 0 H ASP A 47 -0.474 -9.052 13.339 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.242 -7.284 15.365 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.552 -7.851 13.754 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.733 -6.952 12.492 1.00 0.00 H new ATOM 670 N GLU A 48 -0.885 -4.830 14.565 1.00 0.00 N ATOM 671 CA GLU A 48 -1.660 -3.610 14.403 1.00 0.00 C ATOM 672 C GLU A 48 -1.687 -3.197 12.937 1.00 0.00 C ATOM 673 O GLU A 48 -0.683 -3.306 12.235 1.00 0.00 O ATOM 674 CB GLU A 48 -1.052 -2.484 15.238 1.00 0.00 C ATOM 675 CG GLU A 48 0.472 -2.613 15.242 1.00 0.00 C ATOM 676 CD GLU A 48 1.108 -1.256 15.524 1.00 0.00 C ATOM 677 OE1 GLU A 48 0.994 -0.791 16.646 1.00 0.00 O ATOM 678 OE2 GLU A 48 1.703 -0.702 14.613 1.00 0.00 O ATOM 0 H GLU A 48 -0.014 -4.720 15.084 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.678 -3.799 14.743 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.344 -1.516 14.830 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.433 -2.528 16.258 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.782 -3.334 15.998 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.816 -2.992 14.280 1.00 0.00 H new ATOM 685 N PRO A 49 -2.811 -2.730 12.464 1.00 0.00 N ATOM 686 CA PRO A 49 -2.966 -2.295 11.048 1.00 0.00 C ATOM 687 C PRO A 49 -2.261 -0.970 10.777 1.00 0.00 C ATOM 688 O PRO A 49 -2.207 -0.096 11.641 1.00 0.00 O ATOM 689 CB PRO A 49 -4.477 -2.151 10.878 1.00 0.00 C ATOM 690 CG PRO A 49 -4.998 -1.861 12.245 1.00 0.00 C ATOM 691 CD PRO A 49 -4.062 -2.567 13.224 1.00 0.00 C ATOM 0 HA PRO A 49 -2.520 -3.003 10.350 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.720 -1.346 10.185 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.917 -3.063 10.474 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.018 -0.788 12.433 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.020 -2.223 12.356 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.907 -1.975 14.126 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.466 -3.529 13.540 1.00 0.00 H new ATOM 699 N GLN A 50 -1.735 -0.821 9.567 1.00 0.00 N ATOM 700 CA GLN A 50 -1.054 0.408 9.189 1.00 0.00 C ATOM 701 C GLN A 50 -1.864 1.108 8.116 1.00 0.00 C ATOM 702 O GLN A 50 -2.523 0.454 7.318 1.00 0.00 O ATOM 703 CB GLN A 50 0.343 0.103 8.651 1.00 0.00 C ATOM 704 CG GLN A 50 1.215 -0.485 9.761 1.00 0.00 C ATOM 705 CD GLN A 50 0.441 -1.541 10.539 1.00 0.00 C ATOM 706 OE1 GLN A 50 0.004 -1.290 11.663 1.00 0.00 O ATOM 707 NE2 GLN A 50 0.247 -2.716 10.006 1.00 0.00 N ATOM 0 H GLN A 50 -1.767 -1.532 8.836 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.957 1.047 10.067 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.276 -0.599 7.820 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.799 1.014 8.263 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.114 -0.927 9.331 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.540 0.307 10.435 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.610 -2.920 9.075 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.268 -3.431 10.520 1.00 0.00 H new ATOM 716 N TYR A 51 -1.829 2.432 8.095 1.00 0.00 N ATOM 717 CA TYR A 51 -2.593 3.163 7.096 1.00 0.00 C ATOM 718 C TYR A 51 -1.692 4.064 6.268 1.00 0.00 C ATOM 719 O TYR A 51 -0.835 4.769 6.802 1.00 0.00 O ATOM 720 CB TYR A 51 -3.664 4.015 7.776 1.00 0.00 C ATOM 721 CG TYR A 51 -4.398 3.188 8.803 1.00 0.00 C ATOM 722 CD1 TYR A 51 -5.357 2.254 8.397 1.00 0.00 C ATOM 723 CD2 TYR A 51 -4.123 3.362 10.165 1.00 0.00 C ATOM 724 CE1 TYR A 51 -6.040 1.493 9.352 1.00 0.00 C ATOM 725 CE2 TYR A 51 -4.807 2.601 11.121 1.00 0.00 C ATOM 726 CZ TYR A 51 -5.766 1.667 10.714 1.00 0.00 C ATOM 727 OH TYR A 51 -6.443 0.918 11.655 1.00 0.00 O ATOM 0 H TYR A 51 -1.293 3.011 8.742 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.063 2.434 6.436 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.205 4.881 8.253 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.365 4.395 7.033 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.570 2.120 7.347 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.383 4.084 10.478 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.779 0.771 9.038 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.595 2.735 12.171 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.036 1.054 12.536 1.00 0.00 H new ATOM 737 N LEU A 52 -1.916 4.056 4.961 1.00 0.00 N ATOM 738 CA LEU A 52 -1.149 4.896 4.055 1.00 0.00 C ATOM 739 C LEU A 52 -2.104 5.822 3.321 1.00 0.00 C ATOM 740 O LEU A 52 -3.102 5.375 2.756 1.00 0.00 O ATOM 741 CB LEU A 52 -0.379 4.035 3.055 1.00 0.00 C ATOM 742 CG LEU A 52 0.525 3.065 3.816 1.00 0.00 C ATOM 743 CD1 LEU A 52 1.184 2.100 2.833 1.00 0.00 C ATOM 744 CD2 LEU A 52 1.611 3.853 4.555 1.00 0.00 C ATOM 0 H LEU A 52 -2.622 3.477 4.506 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.428 5.484 4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.074 3.483 2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.218 4.667 2.397 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.073 2.502 4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.828 1.409 3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.415 1.538 2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.781 2.663 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.256 3.162 5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.206 4.415 3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.145 4.543 5.258 1.00 0.00 H new ATOM 756 N ASP A 53 -1.809 7.111 3.347 1.00 0.00 N ATOM 757 CA ASP A 53 -2.677 8.078 2.692 1.00 0.00 C ATOM 758 C ASP A 53 -2.115 8.495 1.339 1.00 0.00 C ATOM 759 O ASP A 53 -0.942 8.847 1.220 1.00 0.00 O ATOM 760 CB ASP A 53 -2.850 9.306 3.578 1.00 0.00 C ATOM 761 CG ASP A 53 -3.403 8.896 4.938 1.00 0.00 C ATOM 762 OD1 ASP A 53 -4.009 7.839 5.015 1.00 0.00 O ATOM 763 OD2 ASP A 53 -3.211 9.642 5.883 1.00 0.00 O ATOM 0 H ASP A 53 -0.990 7.509 3.806 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.646 7.606 2.529 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.893 9.812 3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.525 10.016 3.101 1.00 0.00 H new ATOM 768 N LEU A 54 -2.970 8.446 0.323 1.00 0.00 N ATOM 769 CA LEU A 54 -2.571 8.813 -1.029 1.00 0.00 C ATOM 770 C LEU A 54 -3.551 9.844 -1.587 1.00 0.00 C ATOM 771 O LEU A 54 -4.697 9.918 -1.142 1.00 0.00 O ATOM 772 CB LEU A 54 -2.583 7.565 -1.919 1.00 0.00 C ATOM 773 CG LEU A 54 -2.068 6.357 -1.132 1.00 0.00 C ATOM 774 CD1 LEU A 54 -2.373 5.079 -1.913 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.558 6.481 -0.933 1.00 0.00 C ATOM 0 H LEU A 54 -3.944 8.156 0.411 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.568 9.238 -1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.595 7.373 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.960 7.729 -2.798 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.559 6.320 -0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.008 4.216 -1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.450 4.989 -2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.879 5.119 -2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.193 5.620 -0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.065 6.517 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.338 7.394 -0.380 1.00 0.00 H new ATOM 787 N PRO A 55 -3.136 10.637 -2.540 1.00 0.00 N ATOM 788 CA PRO A 55 -4.013 11.675 -3.149 1.00 0.00 C ATOM 789 C PRO A 55 -5.150 11.065 -3.967 1.00 0.00 C ATOM 790 O PRO A 55 -5.055 9.933 -4.437 1.00 0.00 O ATOM 791 CB PRO A 55 -3.074 12.498 -4.034 1.00 0.00 C ATOM 792 CG PRO A 55 -1.874 11.643 -4.278 1.00 0.00 C ATOM 793 CD PRO A 55 -1.792 10.629 -3.137 1.00 0.00 C ATOM 0 HA PRO A 55 -4.508 12.278 -2.388 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.559 12.765 -4.973 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.794 13.430 -3.543 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.955 11.134 -5.238 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.971 12.252 -4.315 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.527 9.638 -3.505 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.032 10.912 -2.408 1.00 0.00 H new ATOM 801 N SER A 56 -6.225 11.827 -4.129 1.00 0.00 N ATOM 802 CA SER A 56 -7.377 11.353 -4.889 1.00 0.00 C ATOM 803 C SER A 56 -6.975 11.002 -6.314 1.00 0.00 C ATOM 804 O SER A 56 -7.725 10.349 -7.039 1.00 0.00 O ATOM 805 CB SER A 56 -8.473 12.414 -4.917 1.00 0.00 C ATOM 806 OG SER A 56 -7.940 13.631 -5.419 1.00 0.00 O ATOM 0 H SER A 56 -6.324 12.768 -3.748 1.00 0.00 H new ATOM 0 HA SER A 56 -7.757 10.458 -4.397 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.301 12.081 -5.543 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.873 12.566 -3.914 1.00 0.00 H new ATOM 0 HG SER A 56 -8.670 14.262 -5.589 1.00 0.00 H new ATOM 812 N THR A 57 -5.788 11.438 -6.714 1.00 0.00 N ATOM 813 CA THR A 57 -5.306 11.156 -8.059 1.00 0.00 C ATOM 814 C THR A 57 -4.528 9.843 -8.076 1.00 0.00 C ATOM 815 O THR A 57 -4.178 9.332 -9.139 1.00 0.00 O ATOM 816 CB THR A 57 -4.409 12.298 -8.538 1.00 0.00 C ATOM 817 OG1 THR A 57 -3.245 12.352 -7.726 1.00 0.00 O ATOM 818 CG2 THR A 57 -5.166 13.622 -8.434 1.00 0.00 C ATOM 0 H THR A 57 -5.148 11.982 -6.135 1.00 0.00 H new ATOM 0 HA THR A 57 -6.161 11.066 -8.729 1.00 0.00 H new ATOM 0 HB THR A 57 -4.123 12.127 -9.576 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.667 13.082 -8.031 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.526 14.435 -8.776 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.061 13.579 -9.055 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.452 13.797 -7.397 1.00 0.00 H new ATOM 826 N ALA A 58 -4.267 9.296 -6.888 1.00 0.00 N ATOM 827 CA ALA A 58 -3.537 8.036 -6.776 1.00 0.00 C ATOM 828 C ALA A 58 -4.485 6.848 -6.926 1.00 0.00 C ATOM 829 O ALA A 58 -5.547 6.809 -6.305 1.00 0.00 O ATOM 830 CB ALA A 58 -2.833 7.953 -5.419 1.00 0.00 C ATOM 0 H ALA A 58 -4.549 9.704 -5.996 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.796 8.002 -7.574 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.292 7.009 -5.347 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.132 8.782 -5.322 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.573 8.009 -4.621 1.00 0.00 H new ATOM 836 N THR A 59 -4.095 5.879 -7.748 1.00 0.00 N ATOM 837 CA THR A 59 -4.926 4.697 -7.956 1.00 0.00 C ATOM 838 C THR A 59 -4.117 3.417 -7.760 1.00 0.00 C ATOM 839 O THR A 59 -4.573 2.327 -8.105 1.00 0.00 O ATOM 840 CB THR A 59 -5.531 4.721 -9.360 1.00 0.00 C ATOM 841 OG1 THR A 59 -4.542 5.124 -10.298 1.00 0.00 O ATOM 842 CG2 THR A 59 -6.704 5.702 -9.392 1.00 0.00 C ATOM 0 H THR A 59 -3.221 5.887 -8.275 1.00 0.00 H new ATOM 0 HA THR A 59 -5.728 4.712 -7.218 1.00 0.00 H new ATOM 0 HB THR A 59 -5.887 3.724 -9.620 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.930 5.137 -11.198 1.00 0.00 H new ATOM 0 HG21 THR A 59 -7.136 5.720 -10.393 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.462 5.386 -8.675 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.351 6.700 -9.131 1.00 0.00 H new ATOM 850 N SER A 60 -2.922 3.553 -7.195 1.00 0.00 N ATOM 851 CA SER A 60 -2.066 2.399 -6.946 1.00 0.00 C ATOM 852 C SER A 60 -0.962 2.779 -5.972 1.00 0.00 C ATOM 853 O SER A 60 -0.520 3.929 -5.943 1.00 0.00 O ATOM 854 CB SER A 60 -1.447 1.901 -8.251 1.00 0.00 C ATOM 855 OG SER A 60 -0.543 2.882 -8.748 1.00 0.00 O ATOM 0 H SER A 60 -2.526 4.446 -6.902 1.00 0.00 H new ATOM 0 HA SER A 60 -2.673 1.601 -6.517 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.924 0.960 -8.083 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.228 1.704 -8.985 1.00 0.00 H new ATOM 0 HG SER A 60 -0.143 2.564 -9.584 1.00 0.00 H new ATOM 861 N VAL A 61 -0.524 1.821 -5.168 1.00 0.00 N ATOM 862 CA VAL A 61 0.526 2.098 -4.196 1.00 0.00 C ATOM 863 C VAL A 61 1.330 0.847 -3.871 1.00 0.00 C ATOM 864 O VAL A 61 0.795 -0.263 -3.850 1.00 0.00 O ATOM 865 CB VAL A 61 -0.092 2.644 -2.912 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.737 1.498 -2.131 1.00 0.00 C ATOM 867 CG2 VAL A 61 0.996 3.300 -2.058 1.00 0.00 C ATOM 0 H VAL A 61 -0.871 0.862 -5.167 1.00 0.00 H new ATOM 0 HA VAL A 61 1.199 2.835 -4.633 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.851 3.386 -3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.179 1.886 -1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.513 1.034 -2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.021 0.755 -1.882 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.553 3.690 -1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.757 2.561 -1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.453 4.117 -2.616 1.00 0.00 H new ATOM 877 N ASN A 62 2.612 1.041 -3.595 1.00 0.00 N ATOM 878 CA ASN A 62 3.480 -0.070 -3.242 1.00 0.00 C ATOM 879 C ASN A 62 3.710 -0.073 -1.733 1.00 0.00 C ATOM 880 O ASN A 62 4.086 0.948 -1.162 1.00 0.00 O ATOM 881 CB ASN A 62 4.821 0.050 -3.969 1.00 0.00 C ATOM 882 CG ASN A 62 5.737 -1.095 -3.556 1.00 0.00 C ATOM 883 OD1 ASN A 62 6.821 -0.862 -3.022 1.00 0.00 O ATOM 884 ND2 ASN A 62 5.360 -2.327 -3.761 1.00 0.00 N ATOM 0 H ASN A 62 3.071 1.952 -3.609 1.00 0.00 H new ATOM 0 HA ASN A 62 3.003 -1.003 -3.542 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.663 0.031 -5.047 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.289 1.006 -3.732 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.964 -3.099 -3.479 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.461 -2.518 -4.204 1.00 0.00 H new ATOM 891 N ILE A 63 3.474 -1.217 -1.093 1.00 0.00 N ATOM 892 CA ILE A 63 3.655 -1.329 0.351 1.00 0.00 C ATOM 893 C ILE A 63 5.003 -1.979 0.667 1.00 0.00 C ATOM 894 O ILE A 63 5.164 -3.188 0.504 1.00 0.00 O ATOM 895 CB ILE A 63 2.524 -2.168 0.948 1.00 0.00 C ATOM 896 CG1 ILE A 63 1.198 -1.784 0.282 1.00 0.00 C ATOM 897 CG2 ILE A 63 2.438 -1.906 2.452 1.00 0.00 C ATOM 898 CD1 ILE A 63 0.024 -2.209 1.170 1.00 0.00 C ATOM 0 H ILE A 63 3.159 -2.073 -1.549 1.00 0.00 H new ATOM 0 HA ILE A 63 3.635 -0.331 0.788 1.00 0.00 H new ATOM 0 HB ILE A 63 2.722 -3.226 0.775 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.165 -0.708 0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.119 -2.264 -0.694 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.633 -2.503 2.880 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.382 -2.179 2.923 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.238 -0.849 2.626 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.914 -1.932 0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.052 -3.289 1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.098 -1.709 2.136 1.00 0.00 H new ATOM 910 N PRO A 64 5.975 -1.210 1.098 1.00 0.00 N ATOM 911 CA PRO A 64 7.324 -1.728 1.421 1.00 0.00 C ATOM 912 C PRO A 64 7.460 -2.180 2.871 1.00 0.00 C ATOM 913 O PRO A 64 6.554 -2.008 3.687 1.00 0.00 O ATOM 914 CB PRO A 64 8.217 -0.524 1.140 1.00 0.00 C ATOM 915 CG PRO A 64 7.377 0.669 1.470 1.00 0.00 C ATOM 916 CD PRO A 64 5.910 0.240 1.334 1.00 0.00 C ATOM 0 HA PRO A 64 7.573 -2.617 0.842 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.120 -0.552 1.750 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.537 -0.505 0.098 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.584 1.018 2.482 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.601 1.496 0.796 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.343 0.471 2.236 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.420 0.756 0.508 1.00 0.00 H new ATOM 924 N ASP A 65 8.618 -2.751 3.165 1.00 0.00 N ATOM 925 CA ASP A 65 8.933 -3.237 4.503 1.00 0.00 C ATOM 926 C ASP A 65 7.970 -4.335 4.946 1.00 0.00 C ATOM 927 O ASP A 65 7.595 -4.408 6.116 1.00 0.00 O ATOM 928 CB ASP A 65 8.886 -2.076 5.498 1.00 0.00 C ATOM 929 CG ASP A 65 9.975 -1.062 5.161 1.00 0.00 C ATOM 930 OD1 ASP A 65 10.875 -1.417 4.416 1.00 0.00 O ATOM 931 OD2 ASP A 65 9.895 0.052 5.650 1.00 0.00 O ATOM 0 H ASP A 65 9.366 -2.891 2.486 1.00 0.00 H new ATOM 0 HA ASP A 65 9.936 -3.663 4.477 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.908 -1.597 5.466 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.025 -2.449 6.513 1.00 0.00 H new ATOM 936 N LEU A 66 7.591 -5.204 4.014 1.00 0.00 N ATOM 937 CA LEU A 66 6.693 -6.308 4.338 1.00 0.00 C ATOM 938 C LEU A 66 7.501 -7.538 4.755 1.00 0.00 C ATOM 939 O LEU A 66 8.568 -7.798 4.204 1.00 0.00 O ATOM 940 CB LEU A 66 5.809 -6.637 3.134 1.00 0.00 C ATOM 941 CG LEU A 66 5.035 -5.385 2.711 1.00 0.00 C ATOM 942 CD1 LEU A 66 3.952 -5.771 1.702 1.00 0.00 C ATOM 943 CD2 LEU A 66 4.382 -4.743 3.939 1.00 0.00 C ATOM 0 H LEU A 66 7.887 -5.167 3.039 1.00 0.00 H new ATOM 0 HA LEU A 66 6.054 -6.011 5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.422 -6.995 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.115 -7.438 3.387 1.00 0.00 H new ATOM 0 HG LEU A 66 5.723 -4.674 2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.401 -4.880 1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.416 -6.224 0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.266 -6.484 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.832 -3.852 3.635 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.696 -5.454 4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.153 -4.465 4.658 1.00 0.00 H new ATOM 955 N LEU A 67 6.997 -8.283 5.738 1.00 0.00 N ATOM 956 CA LEU A 67 7.695 -9.469 6.219 1.00 0.00 C ATOM 957 C LEU A 67 7.487 -10.656 5.277 1.00 0.00 C ATOM 958 O LEU A 67 6.355 -10.974 4.915 1.00 0.00 O ATOM 959 CB LEU A 67 7.172 -9.845 7.605 1.00 0.00 C ATOM 960 CG LEU A 67 7.530 -8.745 8.604 1.00 0.00 C ATOM 961 CD1 LEU A 67 6.595 -8.823 9.814 1.00 0.00 C ATOM 962 CD2 LEU A 67 8.976 -8.939 9.065 1.00 0.00 C ATOM 0 H LEU A 67 6.115 -8.087 6.212 1.00 0.00 H new ATOM 0 HA LEU A 67 8.759 -9.237 6.262 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.091 -9.982 7.572 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.604 -10.794 7.923 1.00 0.00 H new ATOM 0 HG LEU A 67 7.421 -7.770 8.128 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.853 -8.037 10.524 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.564 -8.691 9.486 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.702 -9.796 10.294 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.238 -8.158 9.778 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.078 -9.914 9.541 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.643 -8.884 8.204 1.00 0.00 H new ATOM 974 N PRO A 68 8.542 -11.331 4.893 1.00 0.00 N ATOM 975 CA PRO A 68 8.442 -12.523 4.006 1.00 0.00 C ATOM 976 C PRO A 68 7.428 -13.539 4.532 1.00 0.00 C ATOM 977 O PRO A 68 6.754 -13.296 5.528 1.00 0.00 O ATOM 978 CB PRO A 68 9.849 -13.129 4.018 1.00 0.00 C ATOM 979 CG PRO A 68 10.770 -12.048 4.476 1.00 0.00 C ATOM 980 CD PRO A 68 9.937 -11.029 5.253 1.00 0.00 C ATOM 0 HA PRO A 68 8.102 -12.249 3.007 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.896 -13.988 4.687 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.128 -13.482 3.025 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.558 -12.459 5.107 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.258 -11.574 3.624 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.098 -11.123 6.327 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.204 -10.008 4.979 1.00 0.00 H new ATOM 988 N GLY A 69 7.353 -14.681 3.856 1.00 0.00 N ATOM 989 CA GLY A 69 6.448 -15.769 4.238 1.00 0.00 C ATOM 990 C GLY A 69 5.336 -15.327 5.195 1.00 0.00 C ATOM 991 O GLY A 69 4.987 -16.061 6.120 1.00 0.00 O ATOM 0 H GLY A 69 7.915 -14.882 3.029 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.998 -16.190 3.339 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.026 -16.565 4.707 1.00 0.00 H new ATOM 995 N ARG A 70 4.769 -14.149 4.968 1.00 0.00 N ATOM 996 CA ARG A 70 3.686 -13.663 5.821 1.00 0.00 C ATOM 997 C ARG A 70 2.484 -13.263 4.977 1.00 0.00 C ATOM 998 O ARG A 70 2.639 -12.709 3.889 1.00 0.00 O ATOM 999 CB ARG A 70 4.155 -12.466 6.646 1.00 0.00 C ATOM 1000 CG ARG A 70 5.144 -12.936 7.710 1.00 0.00 C ATOM 1001 CD ARG A 70 4.377 -13.334 8.966 1.00 0.00 C ATOM 1002 NE ARG A 70 4.225 -12.183 9.848 1.00 0.00 N ATOM 1003 CZ ARG A 70 5.174 -11.854 10.717 1.00 0.00 C ATOM 1004 NH1 ARG A 70 6.256 -12.578 10.808 1.00 0.00 N ATOM 1005 NH2 ARG A 70 5.026 -10.806 11.482 1.00 0.00 N ATOM 0 H ARG A 70 5.034 -13.518 4.212 1.00 0.00 H new ATOM 0 HA ARG A 70 3.395 -14.468 6.495 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.626 -11.727 5.998 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.301 -11.979 7.118 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.721 -13.783 7.338 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.854 -12.142 7.940 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.397 -13.725 8.694 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.906 -14.133 9.486 1.00 0.00 H new ATOM 0 HE ARG A 70 3.375 -11.621 9.797 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.373 -13.397 10.212 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.984 -12.325 11.476 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.181 -10.239 11.413 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.756 -10.554 12.149 1.00 0.00 H new ATOM 1019 N LYS A 71 1.285 -13.533 5.485 1.00 0.00 N ATOM 1020 CA LYS A 71 0.074 -13.179 4.761 1.00 0.00 C ATOM 1021 C LYS A 71 -0.530 -11.908 5.337 1.00 0.00 C ATOM 1022 O LYS A 71 -0.680 -11.771 6.553 1.00 0.00 O ATOM 1023 CB LYS A 71 -0.947 -14.315 4.830 1.00 0.00 C ATOM 1024 CG LYS A 71 -2.069 -14.042 3.824 1.00 0.00 C ATOM 1025 CD LYS A 71 -3.142 -15.128 3.936 1.00 0.00 C ATOM 1026 CE LYS A 71 -4.062 -15.058 2.714 1.00 0.00 C ATOM 1027 NZ LYS A 71 -5.029 -16.190 2.750 1.00 0.00 N ATOM 0 H LYS A 71 1.129 -13.990 6.384 1.00 0.00 H new ATOM 0 HA LYS A 71 0.337 -13.009 3.717 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.466 -15.267 4.607 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.356 -14.392 5.837 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.509 -13.063 4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.665 -14.020 2.812 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.676 -16.111 3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.721 -14.991 4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.598 -14.109 2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.471 -15.100 1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.653 -16.140 1.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.509 -17.091 2.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.601 -16.130 3.616 1.00 0.00 H new ATOM 1041 N TYR A 72 -0.878 -10.984 4.459 1.00 0.00 N ATOM 1042 CA TYR A 72 -1.470 -9.726 4.888 1.00 0.00 C ATOM 1043 C TYR A 72 -2.846 -9.525 4.267 1.00 0.00 C ATOM 1044 O TYR A 72 -3.138 -10.035 3.186 1.00 0.00 O ATOM 1045 CB TYR A 72 -0.607 -8.539 4.459 1.00 0.00 C ATOM 1046 CG TYR A 72 0.756 -8.591 5.100 1.00 0.00 C ATOM 1047 CD1 TYR A 72 1.744 -9.439 4.587 1.00 0.00 C ATOM 1048 CD2 TYR A 72 1.038 -7.767 6.195 1.00 0.00 C ATOM 1049 CE1 TYR A 72 3.014 -9.465 5.175 1.00 0.00 C ATOM 1050 CE2 TYR A 72 2.307 -7.789 6.779 1.00 0.00 C ATOM 1051 CZ TYR A 72 3.295 -8.639 6.269 1.00 0.00 C ATOM 1052 OH TYR A 72 4.546 -8.654 6.843 1.00 0.00 O ATOM 0 H TYR A 72 -0.763 -11.078 3.450 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.545 -9.774 5.974 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.501 -8.537 3.374 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -1.104 -7.608 4.732 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.527 -10.072 3.739 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.274 -7.113 6.589 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.777 -10.122 4.784 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.525 -7.151 7.623 1.00 0.00 H new ATOM 0 HH TYR A 72 4.571 -8.020 7.590 1.00 0.00 H new ATOM 1062 N ILE A 73 -3.656 -8.722 4.940 1.00 0.00 N ATOM 1063 CA ILE A 73 -4.979 -8.372 4.448 1.00 0.00 C ATOM 1064 C ILE A 73 -4.939 -6.904 4.065 1.00 0.00 C ATOM 1065 O ILE A 73 -4.577 -6.061 4.880 1.00 0.00 O ATOM 1066 CB ILE A 73 -6.027 -8.610 5.532 1.00 0.00 C ATOM 1067 CG1 ILE A 73 -5.958 -10.071 5.974 1.00 0.00 C ATOM 1068 CG2 ILE A 73 -7.422 -8.308 4.978 1.00 0.00 C ATOM 1069 CD1 ILE A 73 -6.813 -10.265 7.225 1.00 0.00 C ATOM 0 H ILE A 73 -3.417 -8.297 5.836 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.248 -8.987 3.590 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.832 -7.955 6.382 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.312 -10.721 5.174 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.925 -10.352 6.179 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.167 -8.479 5.755 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.468 -7.268 4.654 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.626 -8.961 4.130 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.764 -11.307 7.541 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.439 -9.626 8.024 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.847 -10.001 7.003 1.00 0.00 H new ATOM 1081 N VAL A 74 -5.279 -6.601 2.825 1.00 0.00 N ATOM 1082 CA VAL A 74 -5.231 -5.221 2.367 1.00 0.00 C ATOM 1083 C VAL A 74 -6.620 -4.690 2.045 1.00 0.00 C ATOM 1084 O VAL A 74 -7.417 -5.348 1.378 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.334 -5.117 1.129 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -4.286 -3.664 0.650 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.915 -5.578 1.486 1.00 0.00 C ATOM 0 H VAL A 74 -5.587 -7.278 2.126 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.819 -4.613 3.173 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.737 -5.749 0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.648 -3.592 -0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.292 -3.331 0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.884 -3.033 1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.276 -5.504 0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.515 -4.945 2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.944 -6.613 1.828 1.00 0.00 H new ATOM 1097 N ASN A 75 -6.891 -3.481 2.523 1.00 0.00 N ATOM 1098 CA ASN A 75 -8.174 -2.840 2.284 1.00 0.00 C ATOM 1099 C ASN A 75 -7.949 -1.403 1.836 1.00 0.00 C ATOM 1100 O ASN A 75 -7.257 -0.638 2.508 1.00 0.00 O ATOM 1101 CB ASN A 75 -9.007 -2.852 3.567 1.00 0.00 C ATOM 1102 CG ASN A 75 -9.020 -4.251 4.168 1.00 0.00 C ATOM 1103 OD1 ASN A 75 -9.786 -5.110 3.730 1.00 0.00 O ATOM 1104 ND2 ASN A 75 -8.206 -4.536 5.147 1.00 0.00 N ATOM 0 H ASN A 75 -6.238 -2.927 3.078 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.708 -3.385 1.505 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.594 -2.143 4.285 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.026 -2.531 3.352 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.203 -5.472 5.552 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.573 -3.822 5.508 1.00 0.00 H new ATOM 1111 N VAL A 76 -8.527 -1.038 0.699 1.00 0.00 N ATOM 1112 CA VAL A 76 -8.362 0.317 0.192 1.00 0.00 C ATOM 1113 C VAL A 76 -9.653 1.109 0.354 1.00 0.00 C ATOM 1114 O VAL A 76 -10.730 0.642 -0.015 1.00 0.00 O ATOM 1115 CB VAL A 76 -7.971 0.286 -1.285 1.00 0.00 C ATOM 1116 CG1 VAL A 76 -7.477 1.671 -1.707 1.00 0.00 C ATOM 1117 CG2 VAL A 76 -6.859 -0.744 -1.502 1.00 0.00 C ATOM 0 H VAL A 76 -9.104 -1.648 0.120 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.571 0.800 0.766 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.838 0.010 -1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.197 1.652 -2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.271 2.402 -1.555 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.610 1.947 -1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.582 -0.764 -2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.989 -0.472 -0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.213 -1.730 -1.201 1.00 0.00 H new ATOM 1127 N TYR A 77 -9.532 2.312 0.902 1.00 0.00 N ATOM 1128 CA TYR A 77 -10.692 3.168 1.103 1.00 0.00 C ATOM 1129 C TYR A 77 -10.496 4.492 0.382 1.00 0.00 C ATOM 1130 O TYR A 77 -9.398 5.047 0.381 1.00 0.00 O ATOM 1131 CB TYR A 77 -10.883 3.467 2.591 1.00 0.00 C ATOM 1132 CG TYR A 77 -10.869 2.185 3.390 1.00 0.00 C ATOM 1133 CD1 TYR A 77 -12.044 1.440 3.549 1.00 0.00 C ATOM 1134 CD2 TYR A 77 -9.680 1.751 3.985 1.00 0.00 C ATOM 1135 CE1 TYR A 77 -12.026 0.259 4.301 1.00 0.00 C ATOM 1136 CE2 TYR A 77 -9.661 0.571 4.737 1.00 0.00 C ATOM 1137 CZ TYR A 77 -10.833 -0.175 4.895 1.00 0.00 C ATOM 1138 OH TYR A 77 -10.814 -1.338 5.638 1.00 0.00 O ATOM 0 H TYR A 77 -8.648 2.714 1.213 1.00 0.00 H new ATOM 0 HA TYR A 77 -11.565 2.647 0.710 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.091 4.130 2.940 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.827 3.989 2.746 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -12.963 1.776 3.092 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.775 2.328 3.864 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.931 -0.317 4.423 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.742 0.237 5.195 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.908 -1.494 5.978 1.00 0.00 H new ATOM 1148 N GLN A 78 -11.563 5.019 -0.192 1.00 0.00 N ATOM 1149 CA GLN A 78 -11.469 6.306 -0.860 1.00 0.00 C ATOM 1150 C GLN A 78 -12.080 7.353 0.057 1.00 0.00 C ATOM 1151 O GLN A 78 -13.111 7.112 0.682 1.00 0.00 O ATOM 1152 CB GLN A 78 -12.207 6.290 -2.200 1.00 0.00 C ATOM 1153 CG GLN A 78 -13.683 6.638 -1.984 1.00 0.00 C ATOM 1154 CD GLN A 78 -14.476 6.375 -3.260 1.00 0.00 C ATOM 1155 OE1 GLN A 78 -13.844 6.096 -4.365 1.00 0.00 O flip ATOM 1156 NE2 GLN A 78 -15.706 6.426 -3.247 1.00 0.00 N flip ATOM 0 H GLN A 78 -12.487 4.587 -0.210 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.423 6.534 -1.066 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.752 7.005 -2.885 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.120 5.307 -2.662 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.089 6.043 -1.165 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.779 7.685 -1.696 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -16.198 6.645 -2.381 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -16.233 6.250 -4.102 1.00 0.00 H new ATOM 1165 N ILE A 79 -11.432 8.501 0.161 1.00 0.00 N ATOM 1166 CA ILE A 79 -11.923 9.550 1.037 1.00 0.00 C ATOM 1167 C ILE A 79 -12.652 10.612 0.235 1.00 0.00 C ATOM 1168 O ILE A 79 -12.090 11.217 -0.674 1.00 0.00 O ATOM 1169 CB ILE A 79 -10.747 10.169 1.785 1.00 0.00 C ATOM 1170 CG1 ILE A 79 -9.937 9.043 2.423 1.00 0.00 C ATOM 1171 CG2 ILE A 79 -11.270 11.107 2.873 1.00 0.00 C ATOM 1172 CD1 ILE A 79 -8.665 9.605 3.051 1.00 0.00 C ATOM 0 H ILE A 79 -10.575 8.729 -0.344 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.625 9.122 1.753 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.121 10.738 1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.535 8.539 3.182 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.682 8.296 1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.429 11.549 3.407 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.866 11.897 2.416 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.889 10.544 3.572 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.094 8.794 3.504 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.062 10.088 2.282 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.929 10.334 3.817 1.00 0.00 H new ATOM 1184 N SER A 80 -13.915 10.823 0.578 1.00 0.00 N ATOM 1185 CA SER A 80 -14.731 11.799 -0.117 1.00 0.00 C ATOM 1186 C SER A 80 -14.474 13.200 0.415 1.00 0.00 C ATOM 1187 O SER A 80 -13.830 13.379 1.448 1.00 0.00 O ATOM 1188 CB SER A 80 -16.205 11.442 0.046 1.00 0.00 C ATOM 1189 OG SER A 80 -16.601 11.683 1.386 1.00 0.00 O ATOM 0 H SER A 80 -14.393 10.331 1.333 1.00 0.00 H new ATOM 0 HA SER A 80 -14.466 11.783 -1.174 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.812 12.036 -0.637 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.368 10.395 -0.211 1.00 0.00 H new ATOM 0 HG SER A 80 -17.570 11.564 1.467 1.00 0.00 H new ATOM 1195 N GLU A 81 -14.980 14.188 -0.309 1.00 0.00 N ATOM 1196 CA GLU A 81 -14.803 15.580 0.074 1.00 0.00 C ATOM 1197 C GLU A 81 -15.353 15.837 1.475 1.00 0.00 C ATOM 1198 O GLU A 81 -14.957 16.795 2.138 1.00 0.00 O ATOM 1199 CB GLU A 81 -15.510 16.487 -0.936 1.00 0.00 C ATOM 1200 CG GLU A 81 -14.800 16.391 -2.289 1.00 0.00 C ATOM 1201 CD GLU A 81 -15.455 17.334 -3.292 1.00 0.00 C ATOM 1202 OE1 GLU A 81 -16.500 17.875 -2.972 1.00 0.00 O ATOM 1203 OE2 GLU A 81 -14.901 17.502 -4.366 1.00 0.00 O ATOM 0 H GLU A 81 -15.517 14.051 -1.165 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.736 15.802 0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.554 16.191 -1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.504 17.518 -0.582 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -13.746 16.644 -2.174 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.843 15.367 -2.659 1.00 0.00 H new ATOM 1210 N ASP A 82 -16.265 14.981 1.924 1.00 0.00 N ATOM 1211 CA ASP A 82 -16.847 15.145 3.252 1.00 0.00 C ATOM 1212 C ASP A 82 -16.067 14.336 4.288 1.00 0.00 C ATOM 1213 O ASP A 82 -16.389 14.361 5.476 1.00 0.00 O ATOM 1214 CB ASP A 82 -18.310 14.698 3.246 1.00 0.00 C ATOM 1215 CG ASP A 82 -18.390 13.188 3.067 1.00 0.00 C ATOM 1216 OD1 ASP A 82 -17.367 12.543 3.225 1.00 0.00 O ATOM 1217 OD2 ASP A 82 -19.470 12.699 2.780 1.00 0.00 O ATOM 0 H ASP A 82 -16.613 14.179 1.398 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.794 16.200 3.519 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.792 14.988 4.180 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.849 15.197 2.441 1.00 0.00 H new ATOM 1222 N GLY A 83 -15.032 13.632 3.835 1.00 0.00 N ATOM 1223 CA GLY A 83 -14.204 12.837 4.739 1.00 0.00 C ATOM 1224 C GLY A 83 -14.749 11.423 4.940 1.00 0.00 C ATOM 1225 O GLY A 83 -14.297 10.703 5.829 1.00 0.00 O ATOM 0 H GLY A 83 -14.748 13.595 2.856 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.190 12.779 4.342 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.140 13.339 5.704 1.00 0.00 H new ATOM 1229 N GLU A 84 -15.713 11.021 4.118 1.00 0.00 N ATOM 1230 CA GLU A 84 -16.286 9.681 4.240 1.00 0.00 C ATOM 1231 C GLU A 84 -15.423 8.647 3.516 1.00 0.00 C ATOM 1232 O GLU A 84 -14.928 8.897 2.416 1.00 0.00 O ATOM 1233 CB GLU A 84 -17.708 9.659 3.677 1.00 0.00 C ATOM 1234 CG GLU A 84 -18.654 10.379 4.643 1.00 0.00 C ATOM 1235 CD GLU A 84 -18.687 9.651 5.983 1.00 0.00 C ATOM 1236 OE1 GLU A 84 -18.265 8.508 6.023 1.00 0.00 O ATOM 1237 OE2 GLU A 84 -19.132 10.249 6.948 1.00 0.00 O ATOM 0 H GLU A 84 -16.110 11.591 3.371 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.316 9.423 5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.731 10.143 2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -18.036 8.630 3.530 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.325 11.408 4.787 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -19.657 10.421 4.218 1.00 0.00 H new ATOM 1244 N GLN A 85 -15.249 7.485 4.143 1.00 0.00 N ATOM 1245 CA GLN A 85 -14.447 6.414 3.558 1.00 0.00 C ATOM 1246 C GLN A 85 -15.328 5.275 3.058 1.00 0.00 C ATOM 1247 O GLN A 85 -16.327 4.923 3.686 1.00 0.00 O ATOM 1248 CB GLN A 85 -13.466 5.869 4.597 1.00 0.00 C ATOM 1249 CG GLN A 85 -12.333 6.870 4.802 1.00 0.00 C ATOM 1250 CD GLN A 85 -11.409 6.396 5.920 1.00 0.00 C ATOM 1251 OE1 GLN A 85 -10.136 6.682 5.866 1.00 0.00 O flip ATOM 1252 NE2 GLN A 85 -11.857 5.745 6.863 1.00 0.00 N flip ATOM 0 H GLN A 85 -15.652 7.262 5.053 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.900 6.831 2.712 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -13.982 5.689 5.540 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.064 4.911 4.266 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.768 6.985 3.877 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.743 7.849 5.049 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.852 5.523 6.903 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.234 5.427 7.605 1.00 0.00 H new ATOM 1261 N SER A 86 -14.940 4.696 1.927 1.00 0.00 N ATOM 1262 CA SER A 86 -15.685 3.588 1.346 1.00 0.00 C ATOM 1263 C SER A 86 -14.726 2.526 0.829 1.00 0.00 C ATOM 1264 O SER A 86 -13.733 2.844 0.175 1.00 0.00 O ATOM 1265 CB SER A 86 -16.553 4.091 0.195 1.00 0.00 C ATOM 1266 OG SER A 86 -17.353 3.022 -0.294 1.00 0.00 O ATOM 0 H SER A 86 -14.115 4.976 1.396 1.00 0.00 H new ATOM 0 HA SER A 86 -16.321 3.153 2.117 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.188 4.910 0.534 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.925 4.485 -0.604 1.00 0.00 H new ATOM 0 HG SER A 86 -17.912 3.343 -1.032 1.00 0.00 H new ATOM 1272 N LEU A 87 -15.024 1.264 1.117 1.00 0.00 N ATOM 1273 CA LEU A 87 -14.168 0.179 0.658 1.00 0.00 C ATOM 1274 C LEU A 87 -14.344 -0.033 -0.841 1.00 0.00 C ATOM 1275 O LEU A 87 -15.437 -0.349 -1.308 1.00 0.00 O ATOM 1276 CB LEU A 87 -14.507 -1.113 1.402 1.00 0.00 C ATOM 1277 CG LEU A 87 -13.531 -2.215 0.983 1.00 0.00 C ATOM 1278 CD1 LEU A 87 -12.138 -1.899 1.530 1.00 0.00 C ATOM 1279 CD2 LEU A 87 -14.007 -3.560 1.542 1.00 0.00 C ATOM 0 H LEU A 87 -15.838 0.971 1.657 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.131 0.447 0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.449 -0.951 2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.530 -1.415 1.180 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.490 -2.268 -0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.443 -2.684 1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.799 -0.943 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.178 -1.844 2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.312 -4.345 1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.049 -3.507 2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -14.999 -3.786 1.151 1.00 0.00 H new ATOM 1291 N ILE A 88 -13.263 0.147 -1.587 1.00 0.00 N ATOM 1292 CA ILE A 88 -13.310 -0.024 -3.032 1.00 0.00 C ATOM 1293 C ILE A 88 -12.518 -1.257 -3.451 1.00 0.00 C ATOM 1294 O ILE A 88 -12.752 -1.819 -4.522 1.00 0.00 O ATOM 1295 CB ILE A 88 -12.742 1.220 -3.719 1.00 0.00 C ATOM 1296 CG1 ILE A 88 -11.293 1.428 -3.276 1.00 0.00 C ATOM 1297 CG2 ILE A 88 -13.572 2.449 -3.340 1.00 0.00 C ATOM 1298 CD1 ILE A 88 -10.713 2.649 -3.991 1.00 0.00 C ATOM 0 H ILE A 88 -12.349 0.410 -1.219 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.348 -0.161 -3.334 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.779 1.082 -4.800 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.248 1.570 -2.196 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.700 0.543 -3.506 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.162 3.331 -3.832 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.604 2.303 -3.658 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.541 2.590 -2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.680 2.798 -3.676 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.744 2.488 -5.069 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.301 3.532 -3.739 1.00 0.00 H new ATOM 1310 N LEU A 89 -11.584 -1.679 -2.605 1.00 0.00 N ATOM 1311 CA LEU A 89 -10.776 -2.855 -2.917 1.00 0.00 C ATOM 1312 C LEU A 89 -10.237 -3.516 -1.653 1.00 0.00 C ATOM 1313 O LEU A 89 -9.562 -2.881 -0.843 1.00 0.00 O ATOM 1314 CB LEU A 89 -9.604 -2.475 -3.823 1.00 0.00 C ATOM 1315 CG LEU A 89 -8.843 -3.744 -4.213 1.00 0.00 C ATOM 1316 CD1 LEU A 89 -9.676 -4.554 -5.210 1.00 0.00 C ATOM 1317 CD2 LEU A 89 -7.507 -3.368 -4.858 1.00 0.00 C ATOM 0 H LEU A 89 -11.369 -1.234 -1.713 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.424 -3.564 -3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.968 -1.965 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.940 -1.781 -3.308 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.659 -4.340 -3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.134 -5.458 -5.488 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.627 -4.827 -4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.862 -3.954 -6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.968 -4.275 -5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.689 -2.768 -5.750 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.910 -2.793 -4.150 1.00 0.00 H new ATOM 1329 N SER A 90 -10.525 -4.805 -1.510 1.00 0.00 N ATOM 1330 CA SER A 90 -10.051 -5.569 -0.363 1.00 0.00 C ATOM 1331 C SER A 90 -9.519 -6.918 -0.839 1.00 0.00 C ATOM 1332 O SER A 90 -10.256 -7.708 -1.428 1.00 0.00 O ATOM 1333 CB SER A 90 -11.189 -5.788 0.633 1.00 0.00 C ATOM 1334 OG SER A 90 -10.645 -6.177 1.888 1.00 0.00 O ATOM 0 H SER A 90 -11.084 -5.342 -2.173 1.00 0.00 H new ATOM 0 HA SER A 90 -9.254 -5.013 0.131 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.772 -4.874 0.744 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.868 -6.556 0.264 1.00 0.00 H new ATOM 0 HG SER A 90 -10.373 -5.379 2.388 1.00 0.00 H new ATOM 1340 N THR A 91 -8.238 -7.177 -0.594 1.00 0.00 N ATOM 1341 CA THR A 91 -7.639 -8.434 -1.025 1.00 0.00 C ATOM 1342 C THR A 91 -6.517 -8.852 -0.084 1.00 0.00 C ATOM 1343 O THR A 91 -5.945 -8.022 0.618 1.00 0.00 O ATOM 1344 CB THR A 91 -7.089 -8.283 -2.446 1.00 0.00 C ATOM 1345 OG1 THR A 91 -6.898 -9.571 -3.015 1.00 0.00 O ATOM 1346 CG2 THR A 91 -5.753 -7.541 -2.404 1.00 0.00 C ATOM 0 H THR A 91 -7.604 -6.544 -0.107 1.00 0.00 H new ATOM 0 HA THR A 91 -8.409 -9.205 -1.009 1.00 0.00 H new ATOM 0 HB THR A 91 -7.797 -7.716 -3.051 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.548 -9.478 -3.925 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.364 -7.435 -3.417 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.899 -6.554 -1.966 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.043 -8.105 -1.799 1.00 0.00 H new ATOM 1354 N SER A 92 -6.196 -10.141 -0.083 1.00 0.00 N ATOM 1355 CA SER A 92 -5.128 -10.650 0.769 1.00 0.00 C ATOM 1356 C SER A 92 -3.989 -11.195 -0.086 1.00 0.00 C ATOM 1357 O SER A 92 -4.199 -11.596 -1.230 1.00 0.00 O ATOM 1358 CB SER A 92 -5.658 -11.756 1.680 1.00 0.00 C ATOM 1359 OG SER A 92 -5.929 -12.915 0.903 1.00 0.00 O ATOM 0 H SER A 92 -6.656 -10.847 -0.658 1.00 0.00 H new ATOM 0 HA SER A 92 -4.756 -9.830 1.383 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.927 -11.986 2.455 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.564 -11.423 2.186 1.00 0.00 H new ATOM 0 HG SER A 92 -6.413 -13.569 1.449 1.00 0.00 H new ATOM 1365 N GLN A 93 -2.784 -11.204 0.476 1.00 0.00 N ATOM 1366 CA GLN A 93 -1.620 -11.704 -0.249 1.00 0.00 C ATOM 1367 C GLN A 93 -0.684 -12.469 0.673 1.00 0.00 C ATOM 1368 O GLN A 93 -0.706 -12.292 1.890 1.00 0.00 O ATOM 1369 CB GLN A 93 -0.838 -10.548 -0.871 1.00 0.00 C ATOM 1370 CG GLN A 93 -1.646 -9.896 -1.991 1.00 0.00 C ATOM 1371 CD GLN A 93 -0.766 -8.877 -2.706 1.00 0.00 C ATOM 1372 OE1 GLN A 93 0.454 -8.675 -2.279 1.00 0.00 O flip ATOM 1373 NE2 GLN A 93 -1.197 -8.249 -3.673 1.00 0.00 N flip ATOM 0 H GLN A 93 -2.588 -10.874 1.421 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.989 -12.371 -1.028 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.602 -9.808 -0.106 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.111 -10.913 -1.264 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -1.994 -10.653 -2.694 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.531 -9.409 -1.583 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.149 -8.410 -4.002 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.602 -7.568 -4.145 1.00 0.00 H new ATOM 1382 N THR A 94 0.159 -13.301 0.073 1.00 0.00 N ATOM 1383 CA THR A 94 1.129 -14.072 0.833 1.00 0.00 C ATOM 1384 C THR A 94 2.537 -13.699 0.386 1.00 0.00 C ATOM 1385 O THR A 94 2.917 -13.934 -0.761 1.00 0.00 O ATOM 1386 CB THR A 94 0.890 -15.569 0.626 1.00 0.00 C ATOM 1387 OG1 THR A 94 -0.481 -15.790 0.324 1.00 0.00 O ATOM 1388 CG2 THR A 94 1.258 -16.328 1.902 1.00 0.00 C ATOM 0 H THR A 94 0.189 -13.457 -0.935 1.00 0.00 H new ATOM 0 HA THR A 94 1.017 -13.846 1.893 1.00 0.00 H new ATOM 0 HB THR A 94 1.508 -15.925 -0.198 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.636 -16.748 0.189 1.00 0.00 H new ATOM 0 HG21 THR A 94 1.087 -17.394 1.753 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.309 -16.158 2.136 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.640 -15.973 2.727 1.00 0.00 H new ATOM 1396 N THR A 95 3.304 -13.101 1.292 1.00 0.00 N ATOM 1397 CA THR A 95 4.662 -12.685 0.967 1.00 0.00 C ATOM 1398 C THR A 95 5.542 -13.899 0.682 1.00 0.00 C ATOM 1399 O THR A 95 6.257 -14.310 1.580 1.00 0.00 O ATOM 1400 CB THR A 95 5.257 -11.885 2.129 1.00 0.00 C ATOM 1401 OG1 THR A 95 5.100 -12.620 3.335 1.00 0.00 O ATOM 1402 CG2 THR A 95 4.536 -10.540 2.249 1.00 0.00 C ATOM 1403 OXT THR A 95 5.487 -14.397 -0.430 1.00 0.00 O ATOM 0 H THR A 95 3.012 -12.896 2.247 1.00 0.00 H new ATOM 0 HA THR A 95 4.625 -12.059 0.075 1.00 0.00 H new ATOM 0 HB THR A 95 6.317 -11.709 1.945 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.307 -12.043 4.099 1.00 0.00 H new ATOM 0 HG21 THR A 95 4.961 -9.972 3.077 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.658 -9.978 1.323 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.475 -10.711 2.433 1.00 0.00 H new TER 1411 THR A 95