USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 750 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 21 THR OG1 : rot 146:sc= 0.007 USER MOD Set 1.2: A 24 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -145:sc= 0.398 USER MOD Single : A 3 SER OG : rot 43:sc= 0.0236 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -0.667 X(o=-0.67,f=-1.1) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.0408 X(o=-0.041,f=-0.23) USER MOD Single : A 32 SER OG : rot -120:sc= -3.31! USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -5.21! C(o=-5.2!,f=-8.4!) USER MOD Single : A 38 TYR OH : rot 30:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc=-0.000544 USER MOD Single : A 43 SER OG : rot 180:sc=-0.00337 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 74 TYR OH : rot 150:sc= 0 USER MOD Single : A 77 SER OG : rot -120:sc= -0.0124 USER MOD Single : A 79 GLN : amide:sc= -2.23! K(o=-2.2!,f=-1.5) USER MOD Single : A 80 SER OG : rot 170:sc= 0 USER MOD Single : A 87 SER OG : rot 110:sc= -1.63 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0612 USER MOD Single : A 98 THR OG1 : rot 44:sc= 0.105 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.157 -28.148 -12.337 1.00 0.00 N ATOM 2 CA GLY A 1 0.639 -27.178 -13.065 1.00 0.00 C ATOM 3 C GLY A 1 1.815 -26.668 -12.256 1.00 0.00 C ATOM 4 O GLY A 1 2.791 -27.388 -12.045 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.948 -28.466 -12.933 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.436 -28.964 -12.085 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.530 -27.710 -11.471 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.005 -27.631 -13.986 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.008 -26.337 -13.352 1.00 0.00 H new ATOM 8 N SER A 2 1.723 -25.422 -11.802 1.00 0.00 N ATOM 9 CA SER A 2 2.789 -24.814 -11.016 1.00 0.00 C ATOM 10 C SER A 2 3.264 -25.762 -9.919 1.00 0.00 C ATOM 11 O SER A 2 2.590 -25.943 -8.905 1.00 0.00 O ATOM 12 CB SER A 2 2.310 -23.499 -10.397 1.00 0.00 C ATOM 13 OG SER A 2 3.405 -22.701 -9.983 1.00 0.00 O ATOM 0 H SER A 2 0.920 -24.814 -11.965 1.00 0.00 H new ATOM 0 HA SER A 2 3.626 -24.609 -11.683 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.709 -22.950 -11.122 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.666 -23.709 -9.543 1.00 0.00 H new ATOM 0 HG SER A 2 3.166 -22.217 -9.165 1.00 0.00 H new ATOM 19 N SER A 3 4.429 -26.365 -10.130 1.00 0.00 N ATOM 20 CA SER A 3 4.994 -27.299 -9.162 1.00 0.00 C ATOM 21 C SER A 3 5.809 -26.559 -8.106 1.00 0.00 C ATOM 22 O SER A 3 6.121 -25.379 -8.261 1.00 0.00 O ATOM 23 CB SER A 3 5.873 -28.331 -9.870 1.00 0.00 C ATOM 24 OG SER A 3 5.086 -29.254 -10.603 1.00 0.00 O ATOM 0 H SER A 3 5.001 -26.224 -10.963 1.00 0.00 H new ATOM 0 HA SER A 3 4.170 -27.813 -8.667 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.565 -27.824 -10.542 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.476 -28.865 -9.136 1.00 0.00 H new ATOM 0 HG SER A 3 4.378 -28.773 -11.081 1.00 0.00 H new ATOM 30 N GLY A 4 6.151 -27.262 -7.031 1.00 0.00 N ATOM 31 CA GLY A 4 6.927 -26.657 -5.964 1.00 0.00 C ATOM 32 C GLY A 4 6.147 -26.550 -4.669 1.00 0.00 C ATOM 33 O GLY A 4 5.440 -25.569 -4.441 1.00 0.00 O ATOM 0 H GLY A 4 5.905 -28.240 -6.880 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.828 -27.247 -5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.251 -25.663 -6.273 1.00 0.00 H new ATOM 37 N SER A 5 6.273 -27.564 -3.818 1.00 0.00 N ATOM 38 CA SER A 5 5.570 -27.582 -2.541 1.00 0.00 C ATOM 39 C SER A 5 6.283 -26.707 -1.515 1.00 0.00 C ATOM 40 O SER A 5 5.645 -26.027 -0.711 1.00 0.00 O ATOM 41 CB SER A 5 5.459 -29.015 -2.016 1.00 0.00 C ATOM 42 OG SER A 5 6.739 -29.606 -1.874 1.00 0.00 O ATOM 0 H SER A 5 6.855 -28.383 -3.990 1.00 0.00 H new ATOM 0 HA SER A 5 4.569 -27.182 -2.701 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.946 -29.015 -1.054 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.854 -29.610 -2.700 1.00 0.00 H new ATOM 0 HG SER A 5 6.641 -30.521 -1.536 1.00 0.00 H new ATOM 48 N SER A 6 7.612 -26.728 -1.550 1.00 0.00 N ATOM 49 CA SER A 6 8.414 -25.940 -0.621 1.00 0.00 C ATOM 50 C SER A 6 8.707 -24.557 -1.196 1.00 0.00 C ATOM 51 O SER A 6 8.712 -24.366 -2.411 1.00 0.00 O ATOM 52 CB SER A 6 9.725 -26.663 -0.306 1.00 0.00 C ATOM 53 OG SER A 6 9.499 -27.791 0.522 1.00 0.00 O ATOM 0 H SER A 6 8.156 -27.282 -2.212 1.00 0.00 H new ATOM 0 HA SER A 6 7.845 -25.818 0.301 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.202 -26.979 -1.234 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.413 -25.977 0.188 1.00 0.00 H new ATOM 0 HG SER A 6 10.352 -28.237 0.707 1.00 0.00 H new ATOM 59 N GLY A 7 8.952 -23.595 -0.311 1.00 0.00 N ATOM 60 CA GLY A 7 9.243 -22.242 -0.747 1.00 0.00 C ATOM 61 C GLY A 7 8.013 -21.356 -0.747 1.00 0.00 C ATOM 62 O GLY A 7 7.533 -20.924 -1.795 1.00 0.00 O ATOM 0 H GLY A 7 8.954 -23.729 0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.000 -21.808 -0.094 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.667 -22.270 -1.751 1.00 0.00 H new ATOM 66 N PRO A 8 7.483 -21.073 0.452 1.00 0.00 N ATOM 67 CA PRO A 8 6.294 -20.231 0.613 1.00 0.00 C ATOM 68 C PRO A 8 6.571 -18.768 0.282 1.00 0.00 C ATOM 69 O PRO A 8 7.724 -18.361 0.137 1.00 0.00 O ATOM 70 CB PRO A 8 5.948 -20.387 2.096 1.00 0.00 C ATOM 71 CG PRO A 8 7.237 -20.743 2.751 1.00 0.00 C ATOM 72 CD PRO A 8 8.004 -21.554 1.743 1.00 0.00 C ATOM 0 HA PRO A 8 5.490 -20.528 -0.060 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.538 -19.464 2.506 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.199 -21.164 2.248 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.791 -19.848 3.035 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.066 -21.315 3.663 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.078 -21.391 1.829 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.833 -22.623 1.873 1.00 0.00 H new ATOM 80 N LEU A 9 5.507 -17.982 0.163 1.00 0.00 N ATOM 81 CA LEU A 9 5.635 -16.564 -0.152 1.00 0.00 C ATOM 82 C LEU A 9 5.090 -15.703 0.984 1.00 0.00 C ATOM 83 O LEU A 9 3.900 -15.395 1.047 1.00 0.00 O ATOM 84 CB LEU A 9 4.895 -16.240 -1.451 1.00 0.00 C ATOM 85 CG LEU A 9 5.468 -15.090 -2.280 1.00 0.00 C ATOM 86 CD1 LEU A 9 6.920 -15.363 -2.640 1.00 0.00 C ATOM 87 CD2 LEU A 9 4.637 -14.873 -3.537 1.00 0.00 C ATOM 0 H LEU A 9 4.546 -18.303 0.280 1.00 0.00 H new ATOM 0 HA LEU A 9 6.694 -16.340 -0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.881 -17.136 -2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.859 -16.005 -1.207 1.00 0.00 H new ATOM 0 HG LEU A 9 5.429 -14.181 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.311 -14.534 -3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.507 -15.468 -1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.984 -16.283 -3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.059 -14.051 -4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.644 -15.781 -4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.611 -14.631 -3.258 1.00 0.00 H new ATOM 99 N PRO A 10 5.982 -15.303 1.903 1.00 0.00 N ATOM 100 CA PRO A 10 5.614 -14.470 3.052 1.00 0.00 C ATOM 101 C PRO A 10 5.250 -13.046 2.643 1.00 0.00 C ATOM 102 O PRO A 10 6.086 -12.278 2.167 1.00 0.00 O ATOM 103 CB PRO A 10 6.881 -14.471 3.911 1.00 0.00 C ATOM 104 CG PRO A 10 7.990 -14.732 2.950 1.00 0.00 C ATOM 105 CD PRO A 10 7.417 -15.632 1.891 1.00 0.00 C ATOM 0 HA PRO A 10 4.733 -14.852 3.567 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.015 -13.517 4.420 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.836 -15.240 4.682 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.357 -13.802 2.515 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.835 -15.206 3.449 1.00 0.00 H new ATOM 0 HD2 PRO A 10 7.865 -15.441 0.916 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.590 -16.683 2.121 1.00 0.00 H new ATOM 113 N PRO A 11 3.973 -12.684 2.833 1.00 0.00 N ATOM 114 CA PRO A 11 3.469 -11.351 2.491 1.00 0.00 C ATOM 115 C PRO A 11 4.016 -10.270 3.417 1.00 0.00 C ATOM 116 O PRO A 11 4.636 -10.552 4.442 1.00 0.00 O ATOM 117 CB PRO A 11 1.954 -11.488 2.665 1.00 0.00 C ATOM 118 CG PRO A 11 1.785 -12.596 3.646 1.00 0.00 C ATOM 119 CD PRO A 11 2.922 -13.548 3.396 1.00 0.00 C ATOM 0 HA PRO A 11 3.770 -11.046 1.489 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.512 -10.562 3.033 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.466 -11.719 1.718 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.809 -12.219 4.668 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.824 -13.092 3.512 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.250 -14.032 4.316 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.638 -14.340 2.702 1.00 0.00 H new ATOM 127 N PRO A 12 3.781 -9.001 3.050 1.00 0.00 N ATOM 128 CA PRO A 12 4.241 -7.852 3.836 1.00 0.00 C ATOM 129 C PRO A 12 3.488 -7.713 5.154 1.00 0.00 C ATOM 130 O PRO A 12 2.302 -7.385 5.171 1.00 0.00 O ATOM 131 CB PRO A 12 3.947 -6.658 2.923 1.00 0.00 C ATOM 132 CG PRO A 12 2.833 -7.117 2.047 1.00 0.00 C ATOM 133 CD PRO A 12 3.049 -8.590 1.840 1.00 0.00 C ATOM 0 HA PRO A 12 5.290 -7.943 4.117 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.660 -5.779 3.500 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.824 -6.382 2.337 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.866 -6.926 2.513 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.839 -6.584 1.096 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.104 -9.125 1.741 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.624 -8.789 0.936 1.00 0.00 H new ATOM 141 N ARG A 13 4.186 -7.963 6.258 1.00 0.00 N ATOM 142 CA ARG A 13 3.583 -7.866 7.581 1.00 0.00 C ATOM 143 C ARG A 13 3.911 -6.526 8.232 1.00 0.00 C ATOM 144 O ARG A 13 3.085 -5.948 8.938 1.00 0.00 O ATOM 145 CB ARG A 13 4.070 -9.010 8.472 1.00 0.00 C ATOM 146 CG ARG A 13 3.825 -8.776 9.954 1.00 0.00 C ATOM 147 CD ARG A 13 3.773 -10.086 10.724 1.00 0.00 C ATOM 148 NE ARG A 13 3.945 -9.883 12.160 1.00 0.00 N ATOM 149 CZ ARG A 13 5.098 -9.535 12.720 1.00 0.00 C ATOM 150 NH1 ARG A 13 6.175 -9.352 11.969 1.00 0.00 N ATOM 151 NH2 ARG A 13 5.176 -9.370 14.035 1.00 0.00 N ATOM 0 H ARG A 13 5.169 -8.234 6.261 1.00 0.00 H new ATOM 0 HA ARG A 13 2.502 -7.939 7.465 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.571 -9.931 8.171 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.137 -9.158 8.308 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.616 -8.146 10.360 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.887 -8.236 10.088 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.818 -10.578 10.539 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.552 -10.754 10.356 1.00 0.00 H new ATOM 0 HE ARG A 13 3.135 -10.016 12.766 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.120 -9.478 10.958 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.059 -9.085 12.402 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.350 -9.511 14.617 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.062 -9.103 14.464 1.00 0.00 H new ATOM 165 N ALA A 14 5.122 -6.037 7.988 1.00 0.00 N ATOM 166 CA ALA A 14 5.559 -4.764 8.548 1.00 0.00 C ATOM 167 C ALA A 14 4.974 -3.591 7.769 1.00 0.00 C ATOM 168 O ALA A 14 5.697 -2.684 7.356 1.00 0.00 O ATOM 169 CB ALA A 14 7.079 -4.686 8.560 1.00 0.00 C ATOM 0 H ALA A 14 5.818 -6.503 7.406 1.00 0.00 H new ATOM 0 HA ALA A 14 5.195 -4.703 9.573 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.391 -3.730 8.981 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.480 -5.498 9.167 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.456 -4.774 7.541 1.00 0.00 H new ATOM 175 N LEU A 15 3.660 -3.615 7.572 1.00 0.00 N ATOM 176 CA LEU A 15 2.977 -2.554 6.841 1.00 0.00 C ATOM 177 C LEU A 15 2.773 -1.328 7.726 1.00 0.00 C ATOM 178 O LEU A 15 1.767 -1.214 8.428 1.00 0.00 O ATOM 179 CB LEU A 15 1.627 -3.052 6.323 1.00 0.00 C ATOM 180 CG LEU A 15 1.650 -3.771 4.973 1.00 0.00 C ATOM 181 CD1 LEU A 15 0.452 -4.697 4.841 1.00 0.00 C ATOM 182 CD2 LEU A 15 1.677 -2.764 3.833 1.00 0.00 C ATOM 0 H LEU A 15 3.047 -4.358 7.908 1.00 0.00 H new ATOM 0 HA LEU A 15 3.602 -2.269 5.994 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.203 -3.728 7.065 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.953 -2.199 6.246 1.00 0.00 H new ATOM 0 HG LEU A 15 2.556 -4.374 4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.485 -5.200 3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.477 -5.440 5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.467 -4.116 4.916 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.693 -3.293 2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.789 -2.134 3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.568 -2.142 3.918 1.00 0.00 H new ATOM 194 N THR A 16 3.734 -0.410 7.687 1.00 0.00 N ATOM 195 CA THR A 16 3.661 0.809 8.484 1.00 0.00 C ATOM 196 C THR A 16 3.600 2.045 7.594 1.00 0.00 C ATOM 197 O THR A 16 4.047 2.018 6.446 1.00 0.00 O ATOM 198 CB THR A 16 4.866 0.932 9.434 1.00 0.00 C ATOM 199 OG1 THR A 16 4.994 -0.257 10.221 1.00 0.00 O ATOM 200 CG2 THR A 16 4.713 2.138 10.348 1.00 0.00 C ATOM 0 H THR A 16 4.573 -0.488 7.112 1.00 0.00 H new ATOM 0 HA THR A 16 2.748 0.746 9.075 1.00 0.00 H new ATOM 0 HB THR A 16 5.764 1.065 8.831 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.764 -0.171 10.821 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.576 2.204 11.010 1.00 0.00 H new ATOM 0 HG22 THR A 16 4.647 3.044 9.746 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.806 2.031 10.943 1.00 0.00 H new ATOM 208 N LEU A 17 3.047 3.127 8.129 1.00 0.00 N ATOM 209 CA LEU A 17 2.930 4.375 7.383 1.00 0.00 C ATOM 210 C LEU A 17 4.172 5.240 7.570 1.00 0.00 C ATOM 211 O LEU A 17 4.377 5.829 8.630 1.00 0.00 O ATOM 212 CB LEU A 17 1.686 5.145 7.832 1.00 0.00 C ATOM 213 CG LEU A 17 1.065 6.081 6.794 1.00 0.00 C ATOM 214 CD1 LEU A 17 0.041 5.337 5.951 1.00 0.00 C ATOM 215 CD2 LEU A 17 0.428 7.284 7.473 1.00 0.00 C ATOM 0 H LEU A 17 2.672 3.166 9.077 1.00 0.00 H new ATOM 0 HA LEU A 17 2.837 4.130 6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.929 4.424 8.141 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.945 5.733 8.713 1.00 0.00 H new ATOM 0 HG LEU A 17 1.856 6.439 6.136 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.391 6.018 5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.527 4.509 5.435 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.748 4.950 6.595 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.009 7.939 6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.352 6.946 8.155 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.187 7.831 8.032 1.00 0.00 H new ATOM 227 N ALA A 18 4.997 5.313 6.530 1.00 0.00 N ATOM 228 CA ALA A 18 6.217 6.110 6.578 1.00 0.00 C ATOM 229 C ALA A 18 5.902 7.582 6.819 1.00 0.00 C ATOM 230 O ALA A 18 6.569 8.247 7.612 1.00 0.00 O ATOM 231 CB ALA A 18 7.008 5.942 5.289 1.00 0.00 C ATOM 0 H ALA A 18 4.843 4.830 5.645 1.00 0.00 H new ATOM 0 HA ALA A 18 6.822 5.754 7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.916 6.543 5.339 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.273 4.893 5.159 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.402 6.270 4.445 1.00 0.00 H new ATOM 237 N ALA A 19 4.883 8.085 6.131 1.00 0.00 N ATOM 238 CA ALA A 19 4.479 9.479 6.272 1.00 0.00 C ATOM 239 C ALA A 19 3.025 9.674 5.856 1.00 0.00 C ATOM 240 O ALA A 19 2.552 9.051 4.906 1.00 0.00 O ATOM 241 CB ALA A 19 5.391 10.378 5.450 1.00 0.00 C ATOM 0 H ALA A 19 4.322 7.548 5.470 1.00 0.00 H new ATOM 0 HA ALA A 19 4.568 9.753 7.323 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.078 11.416 5.564 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.419 10.268 5.797 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.330 10.095 4.399 1.00 0.00 H new ATOM 247 N VAL A 20 2.321 10.543 6.574 1.00 0.00 N ATOM 248 CA VAL A 20 0.920 10.821 6.279 1.00 0.00 C ATOM 249 C VAL A 20 0.744 12.230 5.725 1.00 0.00 C ATOM 250 O VAL A 20 0.905 13.217 6.443 1.00 0.00 O ATOM 251 CB VAL A 20 0.040 10.661 7.533 1.00 0.00 C ATOM 252 CG1 VAL A 20 0.465 11.644 8.613 1.00 0.00 C ATOM 253 CG2 VAL A 20 -1.428 10.845 7.181 1.00 0.00 C ATOM 0 H VAL A 20 2.698 11.067 7.364 1.00 0.00 H new ATOM 0 HA VAL A 20 0.605 10.096 5.528 1.00 0.00 H new ATOM 0 HB VAL A 20 0.173 9.651 7.922 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.168 11.516 9.491 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.504 11.459 8.885 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.364 12.663 8.238 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.035 10.729 8.079 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.581 11.842 6.767 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.722 10.097 6.445 1.00 0.00 H new ATOM 263 N THR A 21 0.412 12.317 4.441 1.00 0.00 N ATOM 264 CA THR A 21 0.214 13.606 3.789 1.00 0.00 C ATOM 265 C THR A 21 -1.189 13.716 3.203 1.00 0.00 C ATOM 266 O THR A 21 -1.710 12.780 2.596 1.00 0.00 O ATOM 267 CB THR A 21 1.245 13.831 2.667 1.00 0.00 C ATOM 268 OG1 THR A 21 2.471 13.165 2.987 1.00 0.00 O ATOM 269 CG2 THR A 21 1.508 15.316 2.464 1.00 0.00 C ATOM 0 H THR A 21 0.275 11.510 3.832 1.00 0.00 H new ATOM 0 HA THR A 21 0.346 14.371 4.554 1.00 0.00 H new ATOM 0 HB THR A 21 0.839 13.420 1.743 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.890 12.838 2.164 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.239 15.450 1.667 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.579 15.816 2.192 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.895 15.747 3.388 1.00 0.00 H new ATOM 277 N PRO A 22 -1.818 14.886 3.388 1.00 0.00 N ATOM 278 CA PRO A 22 -3.169 15.147 2.884 1.00 0.00 C ATOM 279 C PRO A 22 -3.211 15.253 1.364 1.00 0.00 C ATOM 280 O PRO A 22 -4.283 15.369 0.769 1.00 0.00 O ATOM 281 CB PRO A 22 -3.534 16.489 3.524 1.00 0.00 C ATOM 282 CG PRO A 22 -2.225 17.152 3.786 1.00 0.00 C ATOM 283 CD PRO A 22 -1.257 16.045 4.103 1.00 0.00 C ATOM 0 HA PRO A 22 -3.858 14.340 3.131 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.156 17.089 2.859 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.098 16.348 4.446 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.895 17.722 2.917 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.302 17.853 4.617 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.250 16.281 3.759 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.192 15.863 5.176 1.00 0.00 H new ATOM 291 N ARG A 23 -2.038 15.213 0.740 1.00 0.00 N ATOM 292 CA ARG A 23 -1.941 15.305 -0.712 1.00 0.00 C ATOM 293 C ARG A 23 -1.253 14.072 -1.290 1.00 0.00 C ATOM 294 O ARG A 23 -1.301 13.829 -2.496 1.00 0.00 O ATOM 295 CB ARG A 23 -1.174 16.567 -1.113 1.00 0.00 C ATOM 296 CG ARG A 23 -0.111 16.979 -0.108 1.00 0.00 C ATOM 297 CD ARG A 23 0.455 18.354 -0.428 1.00 0.00 C ATOM 298 NE ARG A 23 -0.562 19.399 -0.334 1.00 0.00 N ATOM 299 CZ ARG A 23 -0.285 20.698 -0.361 1.00 0.00 C ATOM 300 NH1 ARG A 23 0.970 21.109 -0.479 1.00 0.00 N ATOM 301 NH2 ARG A 23 -1.264 21.588 -0.271 1.00 0.00 N ATOM 0 H ARG A 23 -1.142 15.117 1.217 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.952 15.358 -1.117 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.702 16.403 -2.082 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.881 17.387 -1.238 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.539 16.985 0.894 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.694 16.244 -0.106 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.271 18.579 0.259 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.877 18.348 -1.433 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.538 19.116 -0.243 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.725 20.427 -0.549 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.180 22.107 -0.500 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.231 21.275 -0.181 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.050 22.585 -0.292 1.00 0.00 H new ATOM 315 N THR A 24 -0.611 13.297 -0.422 1.00 0.00 N ATOM 316 CA THR A 24 0.088 12.090 -0.845 1.00 0.00 C ATOM 317 C THR A 24 0.094 11.041 0.260 1.00 0.00 C ATOM 318 O THR A 24 -0.109 11.358 1.432 1.00 0.00 O ATOM 319 CB THR A 24 1.541 12.398 -1.254 1.00 0.00 C ATOM 320 OG1 THR A 24 2.292 12.820 -0.110 1.00 0.00 O ATOM 321 CG2 THR A 24 1.586 13.478 -2.323 1.00 0.00 C ATOM 0 H THR A 24 -0.561 13.484 0.579 1.00 0.00 H new ATOM 0 HA THR A 24 -0.450 11.699 -1.708 1.00 0.00 H new ATOM 0 HB THR A 24 1.981 11.488 -1.662 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.215 13.012 -0.377 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.622 13.678 -2.595 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.038 13.142 -3.203 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.130 14.390 -1.938 1.00 0.00 H new ATOM 329 N VAL A 25 0.328 9.789 -0.120 1.00 0.00 N ATOM 330 CA VAL A 25 0.363 8.692 0.840 1.00 0.00 C ATOM 331 C VAL A 25 1.554 7.776 0.586 1.00 0.00 C ATOM 332 O VAL A 25 1.684 7.192 -0.491 1.00 0.00 O ATOM 333 CB VAL A 25 -0.932 7.859 0.787 1.00 0.00 C ATOM 334 CG1 VAL A 25 -0.725 6.507 1.452 1.00 0.00 C ATOM 335 CG2 VAL A 25 -2.078 8.615 1.442 1.00 0.00 C ATOM 0 H VAL A 25 0.496 9.509 -1.086 1.00 0.00 H new ATOM 0 HA VAL A 25 0.458 9.140 1.829 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.191 7.687 -0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.650 5.933 1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.066 5.964 0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.442 6.654 2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.985 8.012 1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.831 8.819 2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.241 9.556 0.916 1.00 0.00 H new ATOM 345 N HIS A 26 2.423 7.653 1.584 1.00 0.00 N ATOM 346 CA HIS A 26 3.605 6.806 1.469 1.00 0.00 C ATOM 347 C HIS A 26 3.511 5.612 2.413 1.00 0.00 C ATOM 348 O HIS A 26 3.295 5.773 3.615 1.00 0.00 O ATOM 349 CB HIS A 26 4.868 7.613 1.772 1.00 0.00 C ATOM 350 CG HIS A 26 6.121 6.985 1.244 1.00 0.00 C ATOM 351 ND1 HIS A 26 7.309 7.673 1.112 1.00 0.00 N ATOM 352 CD2 HIS A 26 6.367 5.725 0.815 1.00 0.00 C ATOM 353 CE1 HIS A 26 8.232 6.863 0.623 1.00 0.00 C ATOM 354 NE2 HIS A 26 7.686 5.675 0.434 1.00 0.00 N ATOM 0 H HIS A 26 2.331 8.129 2.481 1.00 0.00 H new ATOM 0 HA HIS A 26 3.658 6.434 0.446 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.763 8.610 1.345 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.960 7.737 2.851 1.00 0.00 H new ATOM 0 HD1 HIS A 26 7.453 8.653 1.354 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.658 4.911 0.779 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.258 7.127 0.414 1.00 0.00 H new ATOM 363 N LEU A 27 3.675 4.414 1.862 1.00 0.00 N ATOM 364 CA LEU A 27 3.609 3.192 2.656 1.00 0.00 C ATOM 365 C LEU A 27 4.865 2.348 2.462 1.00 0.00 C ATOM 366 O LEU A 27 5.412 2.272 1.362 1.00 0.00 O ATOM 367 CB LEU A 27 2.371 2.379 2.273 1.00 0.00 C ATOM 368 CG LEU A 27 1.811 1.457 3.356 1.00 0.00 C ATOM 369 CD1 LEU A 27 0.902 2.231 4.299 1.00 0.00 C ATOM 370 CD2 LEU A 27 1.063 0.289 2.730 1.00 0.00 C ATOM 0 H LEU A 27 3.854 4.263 0.869 1.00 0.00 H new ATOM 0 HA LEU A 27 3.541 3.474 3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.585 3.072 1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.614 1.774 1.400 1.00 0.00 H new ATOM 0 HG LEU A 27 2.646 1.059 3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.513 1.558 5.063 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.468 3.032 4.775 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.073 2.659 3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.672 -0.356 3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.238 0.667 2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.743 -0.282 2.098 1.00 0.00 H new ATOM 382 N THR A 28 5.316 1.713 3.539 1.00 0.00 N ATOM 383 CA THR A 28 6.507 0.873 3.488 1.00 0.00 C ATOM 384 C THR A 28 6.279 -0.448 4.214 1.00 0.00 C ATOM 385 O THR A 28 5.729 -0.475 5.315 1.00 0.00 O ATOM 386 CB THR A 28 7.723 1.585 4.111 1.00 0.00 C ATOM 387 OG1 THR A 28 7.429 1.970 5.458 1.00 0.00 O ATOM 388 CG2 THR A 28 8.105 2.814 3.299 1.00 0.00 C ATOM 0 H THR A 28 4.875 1.764 4.457 1.00 0.00 H new ATOM 0 HA THR A 28 6.710 0.676 2.435 1.00 0.00 H new ATOM 0 HB THR A 28 8.563 0.891 4.108 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.208 2.420 5.847 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.966 3.300 3.758 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.357 2.514 2.282 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.266 3.509 3.275 1.00 0.00 H new ATOM 396 N TRP A 29 6.706 -1.540 3.591 1.00 0.00 N ATOM 397 CA TRP A 29 6.549 -2.866 4.180 1.00 0.00 C ATOM 398 C TRP A 29 7.821 -3.689 4.013 1.00 0.00 C ATOM 399 O TRP A 29 8.774 -3.251 3.369 1.00 0.00 O ATOM 400 CB TRP A 29 5.368 -3.594 3.537 1.00 0.00 C ATOM 401 CG TRP A 29 5.466 -3.685 2.044 1.00 0.00 C ATOM 402 CD1 TRP A 29 6.137 -4.630 1.323 1.00 0.00 C ATOM 403 CD2 TRP A 29 4.875 -2.795 1.091 1.00 0.00 C ATOM 404 NE1 TRP A 29 6.000 -4.381 -0.021 1.00 0.00 N ATOM 405 CE2 TRP A 29 5.229 -3.261 -0.190 1.00 0.00 C ATOM 406 CE3 TRP A 29 4.080 -1.650 1.195 1.00 0.00 C ATOM 407 CZ2 TRP A 29 4.816 -2.622 -1.355 1.00 0.00 C ATOM 408 CZ3 TRP A 29 3.671 -1.016 0.037 1.00 0.00 C ATOM 409 CH2 TRP A 29 4.039 -1.503 -1.224 1.00 0.00 C ATOM 0 H TRP A 29 7.163 -1.534 2.679 1.00 0.00 H new ATOM 0 HA TRP A 29 6.355 -2.743 5.246 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.302 -4.600 3.951 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.445 -3.079 3.802 1.00 0.00 H new ATOM 0 HD1 TRP A 29 6.694 -5.453 1.747 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.406 -4.939 -0.772 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.791 -1.268 2.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.099 -2.996 -2.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 3.057 -0.130 0.105 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.703 -0.985 -2.110 1.00 0.00 H new ATOM 420 N GLN A 30 7.829 -4.883 4.598 1.00 0.00 N ATOM 421 CA GLN A 30 8.986 -5.766 4.514 1.00 0.00 C ATOM 422 C GLN A 30 8.965 -6.569 3.218 1.00 0.00 C ATOM 423 O GLN A 30 7.914 -6.996 2.740 1.00 0.00 O ATOM 424 CB GLN A 30 9.019 -6.714 5.714 1.00 0.00 C ATOM 425 CG GLN A 30 9.760 -6.149 6.916 1.00 0.00 C ATOM 426 CD GLN A 30 10.357 -7.230 7.794 1.00 0.00 C ATOM 427 OE1 GLN A 30 11.027 -8.142 7.308 1.00 0.00 O ATOM 428 NE2 GLN A 30 10.118 -7.135 9.097 1.00 0.00 N ATOM 0 H GLN A 30 7.048 -5.260 5.135 1.00 0.00 H new ATOM 0 HA GLN A 30 9.884 -5.148 4.523 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.996 -6.952 6.007 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.490 -7.650 5.414 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.554 -5.487 6.570 1.00 0.00 H new ATOM 0 HG3 GLN A 30 9.075 -5.542 7.508 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.558 -6.363 9.458 1.00 0.00 H new ATOM 0 HE22 GLN A 30 10.495 -7.834 9.737 1.00 0.00 H new ATOM 437 N PRO A 31 10.153 -6.780 2.632 1.00 0.00 N ATOM 438 CA PRO A 31 10.298 -7.533 1.383 1.00 0.00 C ATOM 439 C PRO A 31 10.013 -9.020 1.566 1.00 0.00 C ATOM 440 O PRO A 31 9.877 -9.502 2.691 1.00 0.00 O ATOM 441 CB PRO A 31 11.764 -7.312 1.002 1.00 0.00 C ATOM 442 CG PRO A 31 12.451 -7.027 2.293 1.00 0.00 C ATOM 443 CD PRO A 31 11.448 -6.300 3.145 1.00 0.00 C ATOM 0 HA PRO A 31 9.592 -7.200 0.623 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.184 -8.193 0.516 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.871 -6.481 0.305 1.00 0.00 H new ATOM 0 HG2 PRO A 31 12.776 -7.950 2.774 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.342 -6.419 2.135 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.573 -6.535 4.202 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.544 -5.219 3.045 1.00 0.00 H new ATOM 451 N SER A 32 9.926 -9.743 0.454 1.00 0.00 N ATOM 452 CA SER A 32 9.655 -11.175 0.492 1.00 0.00 C ATOM 453 C SER A 32 10.850 -11.968 -0.028 1.00 0.00 C ATOM 454 O SER A 32 11.553 -11.527 -0.937 1.00 0.00 O ATOM 455 CB SER A 32 8.411 -11.502 -0.336 1.00 0.00 C ATOM 456 OG SER A 32 8.590 -11.133 -1.693 1.00 0.00 O ATOM 0 H SER A 32 10.039 -9.360 -0.485 1.00 0.00 H new ATOM 0 HA SER A 32 9.477 -11.459 1.529 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.197 -12.569 -0.271 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.548 -10.978 0.076 1.00 0.00 H new ATOM 0 HG SER A 32 7.909 -10.475 -1.946 1.00 0.00 H new ATOM 462 N ALA A 33 11.073 -13.141 0.555 1.00 0.00 N ATOM 463 CA ALA A 33 12.180 -13.998 0.150 1.00 0.00 C ATOM 464 C ALA A 33 11.841 -14.771 -1.120 1.00 0.00 C ATOM 465 O ALA A 33 11.405 -15.920 -1.062 1.00 0.00 O ATOM 466 CB ALA A 33 12.543 -14.958 1.273 1.00 0.00 C ATOM 0 H ALA A 33 10.501 -13.520 1.310 1.00 0.00 H new ATOM 0 HA ALA A 33 13.040 -13.362 -0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.371 -15.592 0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 33 12.837 -14.391 2.156 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.681 -15.580 1.513 1.00 0.00 H new ATOM 472 N GLY A 34 12.043 -14.131 -2.269 1.00 0.00 N ATOM 473 CA GLY A 34 11.751 -14.774 -3.537 1.00 0.00 C ATOM 474 C GLY A 34 11.166 -13.814 -4.553 1.00 0.00 C ATOM 475 O GLY A 34 11.765 -13.565 -5.598 1.00 0.00 O ATOM 0 H GLY A 34 12.403 -13.180 -2.344 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.666 -15.210 -3.939 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.052 -15.594 -3.372 1.00 0.00 H new ATOM 479 N ALA A 35 9.990 -13.275 -4.246 1.00 0.00 N ATOM 480 CA ALA A 35 9.324 -12.337 -5.140 1.00 0.00 C ATOM 481 C ALA A 35 10.230 -11.156 -5.471 1.00 0.00 C ATOM 482 O ALA A 35 11.013 -10.706 -4.634 1.00 0.00 O ATOM 483 CB ALA A 35 8.023 -11.849 -4.519 1.00 0.00 C ATOM 0 H ALA A 35 9.480 -13.472 -3.385 1.00 0.00 H new ATOM 0 HA ALA A 35 9.097 -12.859 -6.070 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.536 -11.149 -5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.364 -12.699 -4.340 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.236 -11.349 -3.574 1.00 0.00 H new ATOM 489 N THR A 36 10.120 -10.657 -6.699 1.00 0.00 N ATOM 490 CA THR A 36 10.930 -9.529 -7.141 1.00 0.00 C ATOM 491 C THR A 36 10.082 -8.273 -7.305 1.00 0.00 C ATOM 492 O THR A 36 10.592 -7.154 -7.233 1.00 0.00 O ATOM 493 CB THR A 36 11.638 -9.835 -8.475 1.00 0.00 C ATOM 494 OG1 THR A 36 12.355 -8.680 -8.925 1.00 0.00 O ATOM 495 CG2 THR A 36 10.634 -10.260 -9.535 1.00 0.00 C ATOM 0 H THR A 36 9.477 -11.017 -7.405 1.00 0.00 H new ATOM 0 HA THR A 36 11.681 -9.358 -6.370 1.00 0.00 H new ATOM 0 HB THR A 36 12.337 -10.655 -8.310 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.803 -8.883 -9.772 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.157 -10.471 -10.468 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.111 -11.156 -9.202 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.914 -9.458 -9.696 1.00 0.00 H new ATOM 503 N HIS A 37 8.786 -8.465 -7.526 1.00 0.00 N ATOM 504 CA HIS A 37 7.866 -7.346 -7.699 1.00 0.00 C ATOM 505 C HIS A 37 6.583 -7.569 -6.904 1.00 0.00 C ATOM 506 O HIS A 37 6.145 -8.705 -6.719 1.00 0.00 O ATOM 507 CB HIS A 37 7.536 -7.154 -9.180 1.00 0.00 C ATOM 508 CG HIS A 37 6.919 -8.361 -9.817 1.00 0.00 C ATOM 509 ND1 HIS A 37 7.662 -9.377 -10.381 1.00 0.00 N ATOM 510 CD2 HIS A 37 5.622 -8.713 -9.976 1.00 0.00 C ATOM 511 CE1 HIS A 37 6.848 -10.300 -10.861 1.00 0.00 C ATOM 512 NE2 HIS A 37 5.604 -9.922 -10.628 1.00 0.00 N ATOM 0 H HIS A 37 8.349 -9.384 -7.590 1.00 0.00 H new ATOM 0 HA HIS A 37 8.353 -6.446 -7.323 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.855 -6.309 -9.286 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.449 -6.897 -9.717 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.761 -8.148 -9.651 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.149 -11.210 -11.360 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.767 -10.443 -10.889 1.00 0.00 H new ATOM 521 N TYR A 38 5.986 -6.479 -6.436 1.00 0.00 N ATOM 522 CA TYR A 38 4.755 -6.556 -5.658 1.00 0.00 C ATOM 523 C TYR A 38 3.623 -5.808 -6.355 1.00 0.00 C ATOM 524 O TYR A 38 3.861 -4.944 -7.200 1.00 0.00 O ATOM 525 CB TYR A 38 4.975 -5.982 -4.258 1.00 0.00 C ATOM 526 CG TYR A 38 6.300 -6.375 -3.644 1.00 0.00 C ATOM 527 CD1 TYR A 38 7.472 -5.715 -3.990 1.00 0.00 C ATOM 528 CD2 TYR A 38 6.379 -7.407 -2.716 1.00 0.00 C ATOM 529 CE1 TYR A 38 8.684 -6.071 -3.431 1.00 0.00 C ATOM 530 CE2 TYR A 38 7.586 -7.770 -2.152 1.00 0.00 C ATOM 531 CZ TYR A 38 8.736 -7.099 -2.513 1.00 0.00 C ATOM 532 OH TYR A 38 9.942 -7.456 -1.954 1.00 0.00 O ATOM 0 H TYR A 38 6.334 -5.531 -6.582 1.00 0.00 H new ATOM 0 HA TYR A 38 4.474 -7.606 -5.573 1.00 0.00 H new ATOM 0 HB2 TYR A 38 4.915 -4.895 -4.307 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.168 -6.317 -3.606 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.435 -4.910 -4.709 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.480 -7.934 -2.431 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.586 -5.547 -3.711 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.629 -8.574 -1.433 1.00 0.00 H new ATOM 0 HH TYR A 38 10.526 -6.671 -1.907 1.00 0.00 H new ATOM 542 N LEU A 39 2.390 -6.144 -5.993 1.00 0.00 N ATOM 543 CA LEU A 39 1.218 -5.504 -6.581 1.00 0.00 C ATOM 544 C LEU A 39 0.596 -4.507 -5.609 1.00 0.00 C ATOM 545 O LEU A 39 0.153 -4.878 -4.521 1.00 0.00 O ATOM 546 CB LEU A 39 0.183 -6.558 -6.981 1.00 0.00 C ATOM 547 CG LEU A 39 -0.702 -6.209 -8.177 1.00 0.00 C ATOM 548 CD1 LEU A 39 -1.744 -5.172 -7.787 1.00 0.00 C ATOM 549 CD2 LEU A 39 0.144 -5.707 -9.338 1.00 0.00 C ATOM 0 H LEU A 39 2.176 -6.856 -5.295 1.00 0.00 H new ATOM 0 HA LEU A 39 1.539 -4.963 -7.471 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.707 -7.488 -7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.460 -6.751 -6.122 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.221 -7.113 -8.496 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.364 -4.937 -8.652 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.371 -5.568 -6.988 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.245 -4.267 -7.441 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.503 -5.463 -10.181 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.691 -4.816 -9.031 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.851 -6.482 -9.635 1.00 0.00 H new ATOM 561 N VAL A 40 0.564 -3.240 -6.008 1.00 0.00 N ATOM 562 CA VAL A 40 -0.007 -2.189 -5.174 1.00 0.00 C ATOM 563 C VAL A 40 -1.432 -1.860 -5.604 1.00 0.00 C ATOM 564 O VAL A 40 -1.652 -1.270 -6.662 1.00 0.00 O ATOM 565 CB VAL A 40 0.843 -0.906 -5.226 1.00 0.00 C ATOM 566 CG1 VAL A 40 0.165 0.216 -4.456 1.00 0.00 C ATOM 567 CG2 VAL A 40 2.239 -1.170 -4.682 1.00 0.00 C ATOM 0 H VAL A 40 0.927 -2.916 -6.904 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.017 -2.567 -4.152 1.00 0.00 H new ATOM 0 HB VAL A 40 0.936 -0.595 -6.266 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.781 1.114 -4.504 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.811 0.421 -4.896 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.039 -0.082 -3.415 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.826 -0.253 -4.726 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.169 -1.506 -3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.724 -1.940 -5.282 1.00 0.00 H new ATOM 577 N ARG A 41 -2.398 -2.244 -4.776 1.00 0.00 N ATOM 578 CA ARG A 41 -3.803 -1.990 -5.070 1.00 0.00 C ATOM 579 C ARG A 41 -4.321 -0.800 -4.267 1.00 0.00 C ATOM 580 O ARG A 41 -4.437 -0.869 -3.043 1.00 0.00 O ATOM 581 CB ARG A 41 -4.644 -3.230 -4.763 1.00 0.00 C ATOM 582 CG ARG A 41 -5.872 -3.368 -5.647 1.00 0.00 C ATOM 583 CD ARG A 41 -6.313 -4.819 -5.767 1.00 0.00 C ATOM 584 NE ARG A 41 -7.680 -4.936 -6.266 1.00 0.00 N ATOM 585 CZ ARG A 41 -8.382 -6.064 -6.229 1.00 0.00 C ATOM 586 NH1 ARG A 41 -7.847 -7.164 -5.719 1.00 0.00 N ATOM 587 NH2 ARG A 41 -9.621 -6.091 -6.702 1.00 0.00 N ATOM 0 H ARG A 41 -2.233 -2.732 -3.896 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.888 -1.755 -6.131 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.022 -4.118 -4.878 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.960 -3.195 -3.720 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.687 -2.772 -5.235 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.655 -2.970 -6.638 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.636 -5.349 -6.437 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.240 -5.302 -4.792 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.120 -4.107 -6.665 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.895 -7.146 -5.354 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.387 -8.029 -5.692 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.036 -5.246 -7.094 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.159 -6.957 -6.673 1.00 0.00 H new ATOM 601 N CYS A 42 -4.629 0.288 -4.963 1.00 0.00 N ATOM 602 CA CYS A 42 -5.133 1.494 -4.315 1.00 0.00 C ATOM 603 C CYS A 42 -6.641 1.621 -4.501 1.00 0.00 C ATOM 604 O CYS A 42 -7.114 2.039 -5.558 1.00 0.00 O ATOM 605 CB CYS A 42 -4.431 2.731 -4.876 1.00 0.00 C ATOM 606 SG CYS A 42 -5.211 4.296 -4.413 1.00 0.00 S ATOM 0 H CYS A 42 -4.539 0.360 -5.976 1.00 0.00 H new ATOM 0 HA CYS A 42 -4.922 1.419 -3.248 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.397 2.737 -4.531 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.404 2.658 -5.963 1.00 0.00 H new ATOM 0 HG CYS A 42 -4.544 5.284 -4.933 1.00 0.00 H new ATOM 612 N SER A 43 -7.393 1.257 -3.466 1.00 0.00 N ATOM 613 CA SER A 43 -8.848 1.325 -3.518 1.00 0.00 C ATOM 614 C SER A 43 -9.407 1.966 -2.251 1.00 0.00 C ATOM 615 O SER A 43 -9.014 1.635 -1.132 1.00 0.00 O ATOM 616 CB SER A 43 -9.440 -0.074 -3.698 1.00 0.00 C ATOM 617 OG SER A 43 -10.737 -0.011 -4.264 1.00 0.00 O ATOM 0 H SER A 43 -7.018 0.912 -2.582 1.00 0.00 H new ATOM 0 HA SER A 43 -9.127 1.942 -4.372 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.789 -0.668 -4.339 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.485 -0.580 -2.734 1.00 0.00 H new ATOM 0 HG SER A 43 -11.092 -0.918 -4.370 1.00 0.00 H new ATOM 623 N PRO A 44 -10.347 2.906 -2.429 1.00 0.00 N ATOM 624 CA PRO A 44 -10.981 3.614 -1.313 1.00 0.00 C ATOM 625 C PRO A 44 -11.901 2.709 -0.501 1.00 0.00 C ATOM 626 O PRO A 44 -12.581 1.844 -1.053 1.00 0.00 O ATOM 627 CB PRO A 44 -11.787 4.716 -2.003 1.00 0.00 C ATOM 628 CG PRO A 44 -12.058 4.188 -3.370 1.00 0.00 C ATOM 629 CD PRO A 44 -10.863 3.351 -3.735 1.00 0.00 C ATOM 0 HA PRO A 44 -10.248 3.988 -0.599 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.714 4.923 -1.468 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.227 5.650 -2.043 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.971 3.592 -3.384 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.197 5.001 -4.082 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.141 2.507 -4.366 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.120 3.929 -4.285 1.00 0.00 H new ATOM 637 N ALA A 45 -11.918 2.914 0.812 1.00 0.00 N ATOM 638 CA ALA A 45 -12.757 2.118 1.699 1.00 0.00 C ATOM 639 C ALA A 45 -14.226 2.503 1.557 1.00 0.00 C ATOM 640 O ALA A 45 -15.113 1.656 1.660 1.00 0.00 O ATOM 641 CB ALA A 45 -12.304 2.282 3.142 1.00 0.00 C ATOM 0 H ALA A 45 -11.360 3.625 1.285 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.653 1.071 1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.940 1.682 3.793 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.270 1.951 3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.377 3.331 3.429 1.00 0.00 H new ATOM 647 N SER A 46 -14.476 3.787 1.321 1.00 0.00 N ATOM 648 CA SER A 46 -15.838 4.285 1.169 1.00 0.00 C ATOM 649 C SER A 46 -16.357 4.028 -0.242 1.00 0.00 C ATOM 650 O SER A 46 -15.718 4.369 -1.238 1.00 0.00 O ATOM 651 CB SER A 46 -15.894 5.782 1.480 1.00 0.00 C ATOM 652 OG SER A 46 -17.229 6.211 1.687 1.00 0.00 O ATOM 0 H SER A 46 -13.753 4.501 1.231 1.00 0.00 H new ATOM 0 HA SER A 46 -16.474 3.750 1.874 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.299 5.995 2.368 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.452 6.344 0.658 1.00 0.00 H new ATOM 0 HG SER A 46 -17.237 7.171 1.886 1.00 0.00 H new ATOM 658 N PRO A 47 -17.544 3.410 -0.332 1.00 0.00 N ATOM 659 CA PRO A 47 -18.177 3.093 -1.616 1.00 0.00 C ATOM 660 C PRO A 47 -18.659 4.340 -2.348 1.00 0.00 C ATOM 661 O PRO A 47 -19.163 4.259 -3.469 1.00 0.00 O ATOM 662 CB PRO A 47 -19.364 2.213 -1.218 1.00 0.00 C ATOM 663 CG PRO A 47 -19.677 2.609 0.183 1.00 0.00 C ATOM 664 CD PRO A 47 -18.362 2.975 0.813 1.00 0.00 C ATOM 0 HA PRO A 47 -17.483 2.611 -2.305 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -20.217 2.378 -1.876 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -19.111 1.155 -1.283 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -20.368 3.451 0.205 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -20.154 1.791 0.723 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -18.477 3.770 1.550 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -17.913 2.126 1.328 1.00 0.00 H new ATOM 672 N LYS A 48 -18.502 5.494 -1.709 1.00 0.00 N ATOM 673 CA LYS A 48 -18.920 6.760 -2.300 1.00 0.00 C ATOM 674 C LYS A 48 -18.268 6.966 -3.663 1.00 0.00 C ATOM 675 O LYS A 48 -17.236 7.626 -3.775 1.00 0.00 O ATOM 676 CB LYS A 48 -18.563 7.923 -1.371 1.00 0.00 C ATOM 677 CG LYS A 48 -19.525 8.090 -0.207 1.00 0.00 C ATOM 678 CD LYS A 48 -20.811 8.774 -0.640 1.00 0.00 C ATOM 679 CE LYS A 48 -21.437 9.557 0.503 1.00 0.00 C ATOM 680 NZ LYS A 48 -22.577 10.397 0.041 1.00 0.00 N ATOM 0 H LYS A 48 -18.088 5.579 -0.781 1.00 0.00 H new ATOM 0 HA LYS A 48 -20.001 6.729 -2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -17.557 7.769 -0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.543 8.846 -1.950 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -19.757 7.113 0.218 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -19.048 8.675 0.580 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -20.604 9.446 -1.473 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -21.518 8.027 -1.001 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -21.784 8.865 1.270 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -20.681 10.193 0.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -22.977 10.915 0.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -22.242 11.075 -0.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -23.310 9.788 -0.377 1.00 0.00 H new ATOM 694 N GLY A 49 -18.879 6.397 -4.698 1.00 0.00 N ATOM 695 CA GLY A 49 -18.343 6.531 -6.041 1.00 0.00 C ATOM 696 C GLY A 49 -18.403 5.233 -6.821 1.00 0.00 C ATOM 697 O GLY A 49 -19.413 4.531 -6.793 1.00 0.00 O ATOM 0 H GLY A 49 -19.735 5.846 -4.631 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -18.901 7.299 -6.577 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -17.308 6.870 -5.984 1.00 0.00 H new ATOM 701 N GLU A 50 -17.319 4.914 -7.520 1.00 0.00 N ATOM 702 CA GLU A 50 -17.254 3.692 -8.314 1.00 0.00 C ATOM 703 C GLU A 50 -16.085 2.817 -7.871 1.00 0.00 C ATOM 704 O GLU A 50 -15.354 2.276 -8.700 1.00 0.00 O ATOM 705 CB GLU A 50 -17.119 4.030 -9.800 1.00 0.00 C ATOM 706 CG GLU A 50 -17.353 2.842 -10.718 1.00 0.00 C ATOM 707 CD GLU A 50 -18.760 2.288 -10.608 1.00 0.00 C ATOM 708 OE1 GLU A 50 -19.702 2.961 -11.077 1.00 0.00 O ATOM 709 OE2 GLU A 50 -18.920 1.181 -10.052 1.00 0.00 O ATOM 0 H GLU A 50 -16.474 5.484 -7.553 1.00 0.00 H new ATOM 0 HA GLU A 50 -18.179 3.138 -8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -17.829 4.818 -10.051 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -16.122 4.430 -9.984 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -17.164 3.141 -11.749 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -16.637 2.056 -10.478 1.00 0.00 H new ATOM 716 N GLU A 51 -15.915 2.685 -6.560 1.00 0.00 N ATOM 717 CA GLU A 51 -14.834 1.878 -6.007 1.00 0.00 C ATOM 718 C GLU A 51 -13.583 1.977 -6.875 1.00 0.00 C ATOM 719 O GLU A 51 -12.906 0.979 -7.121 1.00 0.00 O ATOM 720 CB GLU A 51 -15.270 0.416 -5.887 1.00 0.00 C ATOM 721 CG GLU A 51 -15.667 -0.212 -7.212 1.00 0.00 C ATOM 722 CD GLU A 51 -16.080 -1.664 -7.070 1.00 0.00 C ATOM 723 OE1 GLU A 51 -16.703 -2.005 -6.042 1.00 0.00 O ATOM 724 OE2 GLU A 51 -15.782 -2.459 -7.985 1.00 0.00 O ATOM 0 H GLU A 51 -16.512 3.126 -5.861 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.598 2.262 -5.015 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.456 -0.162 -5.450 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -16.112 0.352 -5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -16.490 0.355 -7.646 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.831 -0.143 -7.908 1.00 0.00 H new ATOM 731 N GLU A 52 -13.283 3.187 -7.335 1.00 0.00 N ATOM 732 CA GLU A 52 -12.114 3.417 -8.176 1.00 0.00 C ATOM 733 C GLU A 52 -10.886 2.716 -7.603 1.00 0.00 C ATOM 734 O GLU A 52 -10.358 3.118 -6.566 1.00 0.00 O ATOM 735 CB GLU A 52 -11.843 4.916 -8.313 1.00 0.00 C ATOM 736 CG GLU A 52 -12.762 5.613 -9.302 1.00 0.00 C ATOM 737 CD GLU A 52 -12.631 5.061 -10.709 1.00 0.00 C ATOM 738 OE1 GLU A 52 -11.648 5.411 -11.394 1.00 0.00 O ATOM 739 OE2 GLU A 52 -13.513 4.280 -11.123 1.00 0.00 O ATOM 0 H GLU A 52 -13.833 4.023 -7.140 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.320 3.002 -9.163 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.951 5.387 -7.336 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.809 5.063 -8.625 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.795 5.508 -8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.537 6.680 -9.312 1.00 0.00 H new ATOM 746 N GLU A 53 -10.437 1.667 -8.285 1.00 0.00 N ATOM 747 CA GLU A 53 -9.272 0.910 -7.842 1.00 0.00 C ATOM 748 C GLU A 53 -8.107 1.090 -8.811 1.00 0.00 C ATOM 749 O GLU A 53 -8.305 1.235 -10.017 1.00 0.00 O ATOM 750 CB GLU A 53 -9.619 -0.574 -7.714 1.00 0.00 C ATOM 751 CG GLU A 53 -8.413 -1.461 -7.453 1.00 0.00 C ATOM 752 CD GLU A 53 -7.612 -1.741 -8.709 1.00 0.00 C ATOM 753 OE1 GLU A 53 -8.213 -1.762 -9.803 1.00 0.00 O ATOM 754 OE2 GLU A 53 -6.384 -1.940 -8.599 1.00 0.00 O ATOM 0 H GLU A 53 -10.862 1.322 -9.146 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.972 1.291 -6.866 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -10.336 -0.702 -6.903 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -10.111 -0.904 -8.629 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.769 -0.984 -6.715 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.747 -2.405 -7.022 1.00 0.00 H new ATOM 761 N ARG A 54 -6.891 1.079 -8.274 1.00 0.00 N ATOM 762 CA ARG A 54 -5.694 1.243 -9.089 1.00 0.00 C ATOM 763 C ARG A 54 -4.632 0.215 -8.708 1.00 0.00 C ATOM 764 O ARG A 54 -4.004 0.320 -7.656 1.00 0.00 O ATOM 765 CB ARG A 54 -5.131 2.656 -8.930 1.00 0.00 C ATOM 766 CG ARG A 54 -3.876 2.908 -9.749 1.00 0.00 C ATOM 767 CD ARG A 54 -4.176 2.920 -11.239 1.00 0.00 C ATOM 768 NE ARG A 54 -4.629 4.231 -11.696 1.00 0.00 N ATOM 769 CZ ARG A 54 -4.847 4.530 -12.972 1.00 0.00 C ATOM 770 NH1 ARG A 54 -4.655 3.616 -13.913 1.00 0.00 N ATOM 771 NH2 ARG A 54 -5.259 5.746 -13.309 1.00 0.00 N ATOM 0 H ARG A 54 -6.709 0.958 -7.278 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.971 1.086 -10.131 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.895 3.377 -9.221 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.909 2.833 -7.878 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.436 3.862 -9.458 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.137 2.136 -9.532 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.281 2.633 -11.791 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.940 2.175 -11.461 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.787 4.957 -10.997 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.339 2.680 -13.658 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.823 3.849 -14.892 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.408 6.452 -12.588 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.426 5.975 -14.289 1.00 0.00 H new ATOM 785 N GLU A 55 -4.439 -0.777 -9.572 1.00 0.00 N ATOM 786 CA GLU A 55 -3.455 -1.824 -9.325 1.00 0.00 C ATOM 787 C GLU A 55 -2.170 -1.558 -10.105 1.00 0.00 C ATOM 788 O GLU A 55 -2.112 -1.768 -11.317 1.00 0.00 O ATOM 789 CB GLU A 55 -4.024 -3.191 -9.708 1.00 0.00 C ATOM 790 CG GLU A 55 -4.945 -3.150 -10.916 1.00 0.00 C ATOM 791 CD GLU A 55 -5.146 -4.516 -11.543 1.00 0.00 C ATOM 792 OE1 GLU A 55 -4.235 -4.979 -12.261 1.00 0.00 O ATOM 793 OE2 GLU A 55 -6.215 -5.122 -11.315 1.00 0.00 O ATOM 0 H GLU A 55 -4.951 -0.877 -10.449 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.220 -1.822 -8.261 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.200 -3.874 -9.913 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.571 -3.599 -8.858 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.912 -2.746 -10.617 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.531 -2.470 -11.661 1.00 0.00 H new ATOM 800 N VAL A 56 -1.142 -1.095 -9.401 1.00 0.00 N ATOM 801 CA VAL A 56 0.142 -0.800 -10.026 1.00 0.00 C ATOM 802 C VAL A 56 1.210 -1.791 -9.579 1.00 0.00 C ATOM 803 O VAL A 56 1.012 -2.544 -8.625 1.00 0.00 O ATOM 804 CB VAL A 56 0.612 0.629 -9.697 1.00 0.00 C ATOM 805 CG1 VAL A 56 -0.352 1.655 -10.273 1.00 0.00 C ATOM 806 CG2 VAL A 56 0.758 0.808 -8.193 1.00 0.00 C ATOM 0 H VAL A 56 -1.173 -0.916 -8.397 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.002 -0.887 -11.103 1.00 0.00 H new ATOM 0 HB VAL A 56 1.588 0.786 -10.156 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.003 2.659 -10.030 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.401 1.540 -11.356 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.343 1.502 -9.846 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.091 1.823 -7.978 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.203 0.632 -7.711 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.491 0.097 -7.812 1.00 0.00 H new ATOM 816 N GLN A 57 2.343 -1.785 -10.274 1.00 0.00 N ATOM 817 CA GLN A 57 3.444 -2.684 -9.948 1.00 0.00 C ATOM 818 C GLN A 57 4.708 -1.898 -9.613 1.00 0.00 C ATOM 819 O GLN A 57 5.220 -1.145 -10.440 1.00 0.00 O ATOM 820 CB GLN A 57 3.715 -3.636 -11.114 1.00 0.00 C ATOM 821 CG GLN A 57 2.916 -4.927 -11.045 1.00 0.00 C ATOM 822 CD GLN A 57 2.774 -5.599 -12.396 1.00 0.00 C ATOM 823 OE1 GLN A 57 3.729 -5.670 -13.170 1.00 0.00 O ATOM 824 NE2 GLN A 57 1.578 -6.097 -12.687 1.00 0.00 N ATOM 0 H GLN A 57 2.523 -1.168 -11.066 1.00 0.00 H new ATOM 0 HA GLN A 57 3.157 -3.266 -9.072 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.485 -3.126 -12.049 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.778 -3.877 -11.136 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.402 -5.614 -10.351 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.925 -4.715 -10.643 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.815 -6.016 -12.015 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.423 -6.561 -13.582 1.00 0.00 H new ATOM 833 N VAL A 58 5.205 -2.079 -8.393 1.00 0.00 N ATOM 834 CA VAL A 58 6.409 -1.388 -7.948 1.00 0.00 C ATOM 835 C VAL A 58 7.533 -2.376 -7.654 1.00 0.00 C ATOM 836 O VAL A 58 7.298 -3.456 -7.115 1.00 0.00 O ATOM 837 CB VAL A 58 6.139 -0.544 -6.688 1.00 0.00 C ATOM 838 CG1 VAL A 58 5.023 0.457 -6.945 1.00 0.00 C ATOM 839 CG2 VAL A 58 5.799 -1.443 -5.509 1.00 0.00 C ATOM 0 H VAL A 58 4.792 -2.698 -7.696 1.00 0.00 H new ATOM 0 HA VAL A 58 6.713 -0.727 -8.760 1.00 0.00 H new ATOM 0 HB VAL A 58 7.044 0.012 -6.443 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.846 1.044 -6.044 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.310 1.121 -7.760 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.111 -0.076 -7.215 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.611 -0.831 -4.627 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.909 -2.027 -5.742 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.633 -2.116 -5.312 1.00 0.00 H new ATOM 849 N GLY A 59 8.756 -1.997 -8.013 1.00 0.00 N ATOM 850 CA GLY A 59 9.898 -2.860 -7.779 1.00 0.00 C ATOM 851 C GLY A 59 10.334 -2.865 -6.327 1.00 0.00 C ATOM 852 O GLY A 59 10.982 -3.806 -5.869 1.00 0.00 O ATOM 0 H GLY A 59 8.976 -1.108 -8.462 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.650 -3.877 -8.084 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.730 -2.534 -8.404 1.00 0.00 H new ATOM 856 N ARG A 60 9.978 -1.811 -5.600 1.00 0.00 N ATOM 857 CA ARG A 60 10.338 -1.696 -4.192 1.00 0.00 C ATOM 858 C ARG A 60 9.111 -1.864 -3.301 1.00 0.00 C ATOM 859 O ARG A 60 7.980 -1.588 -3.702 1.00 0.00 O ATOM 860 CB ARG A 60 10.997 -0.343 -3.921 1.00 0.00 C ATOM 861 CG ARG A 60 10.119 0.845 -4.280 1.00 0.00 C ATOM 862 CD ARG A 60 10.919 2.138 -4.319 1.00 0.00 C ATOM 863 NE ARG A 60 11.744 2.234 -5.521 1.00 0.00 N ATOM 864 CZ ARG A 60 11.283 2.648 -6.697 1.00 0.00 C ATOM 865 NH1 ARG A 60 10.012 3.003 -6.827 1.00 0.00 N ATOM 866 NH2 ARG A 60 12.096 2.709 -7.744 1.00 0.00 N ATOM 0 H ARG A 60 9.440 -1.024 -5.963 1.00 0.00 H new ATOM 0 HA ARG A 60 11.046 -2.491 -3.958 1.00 0.00 H new ATOM 0 HB2 ARG A 60 11.262 -0.282 -2.865 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.926 -0.281 -4.487 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.654 0.675 -5.251 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.313 0.936 -3.552 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.237 2.988 -4.278 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.556 2.197 -3.436 1.00 0.00 H new ATOM 0 HE ARG A 60 12.727 1.969 -5.454 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.385 2.959 -6.023 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.661 3.320 -7.731 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.075 2.438 -7.646 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.742 3.027 -8.646 1.00 0.00 H new ATOM 880 N PRO A 61 9.337 -2.329 -2.063 1.00 0.00 N ATOM 881 CA PRO A 61 8.262 -2.544 -1.090 1.00 0.00 C ATOM 882 C PRO A 61 7.658 -1.234 -0.594 1.00 0.00 C ATOM 883 O PRO A 61 6.784 -1.233 0.272 1.00 0.00 O ATOM 884 CB PRO A 61 8.963 -3.277 0.056 1.00 0.00 C ATOM 885 CG PRO A 61 10.392 -2.869 -0.051 1.00 0.00 C ATOM 886 CD PRO A 61 10.659 -2.679 -1.518 1.00 0.00 C ATOM 0 HA PRO A 61 7.427 -3.097 -1.521 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.542 -2.996 1.022 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.852 -4.357 -0.038 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.577 -1.948 0.502 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.048 -3.631 0.370 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.388 -1.889 -1.695 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.055 -3.586 -1.975 1.00 0.00 H new ATOM 894 N GLU A 62 8.130 -0.122 -1.150 1.00 0.00 N ATOM 895 CA GLU A 62 7.635 1.193 -0.763 1.00 0.00 C ATOM 896 C GLU A 62 6.902 1.862 -1.922 1.00 0.00 C ATOM 897 O GLU A 62 7.375 1.853 -3.059 1.00 0.00 O ATOM 898 CB GLU A 62 8.792 2.081 -0.297 1.00 0.00 C ATOM 899 CG GLU A 62 9.809 2.376 -1.386 1.00 0.00 C ATOM 900 CD GLU A 62 10.908 3.311 -0.920 1.00 0.00 C ATOM 901 OE1 GLU A 62 11.417 3.115 0.203 1.00 0.00 O ATOM 902 OE2 GLU A 62 11.259 4.239 -1.679 1.00 0.00 O ATOM 0 H GLU A 62 8.854 -0.106 -1.869 1.00 0.00 H new ATOM 0 HA GLU A 62 6.933 1.060 0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.389 3.022 0.077 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.297 1.597 0.539 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.253 1.441 -1.726 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.300 2.818 -2.243 1.00 0.00 H new ATOM 909 N VAL A 63 5.742 2.441 -1.626 1.00 0.00 N ATOM 910 CA VAL A 63 4.943 3.115 -2.642 1.00 0.00 C ATOM 911 C VAL A 63 4.455 4.471 -2.147 1.00 0.00 C ATOM 912 O VAL A 63 4.110 4.630 -0.975 1.00 0.00 O ATOM 913 CB VAL A 63 3.728 2.264 -3.056 1.00 0.00 C ATOM 914 CG1 VAL A 63 2.825 2.006 -1.859 1.00 0.00 C ATOM 915 CG2 VAL A 63 2.958 2.944 -4.178 1.00 0.00 C ATOM 0 H VAL A 63 5.335 2.456 -0.691 1.00 0.00 H new ATOM 0 HA VAL A 63 5.589 3.259 -3.508 1.00 0.00 H new ATOM 0 HB VAL A 63 4.088 1.303 -3.424 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.972 1.403 -2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.384 1.474 -1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.471 2.956 -1.459 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.103 2.328 -4.458 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.608 3.919 -3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.611 3.072 -5.042 1.00 0.00 H new ATOM 925 N LEU A 64 4.427 5.448 -3.047 1.00 0.00 N ATOM 926 CA LEU A 64 3.980 6.793 -2.702 1.00 0.00 C ATOM 927 C LEU A 64 2.929 7.288 -3.691 1.00 0.00 C ATOM 928 O LEU A 64 3.245 7.629 -4.831 1.00 0.00 O ATOM 929 CB LEU A 64 5.168 7.757 -2.680 1.00 0.00 C ATOM 930 CG LEU A 64 4.824 9.247 -2.670 1.00 0.00 C ATOM 931 CD1 LEU A 64 4.107 9.621 -1.382 1.00 0.00 C ATOM 932 CD2 LEU A 64 6.081 10.086 -2.846 1.00 0.00 C ATOM 0 H LEU A 64 4.708 5.334 -4.021 1.00 0.00 H new ATOM 0 HA LEU A 64 3.531 6.756 -1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.771 7.538 -1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.791 7.554 -3.551 1.00 0.00 H new ATOM 0 HG LEU A 64 4.155 9.451 -3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.870 10.685 -1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.185 9.045 -1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.751 9.401 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.817 11.143 -2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.774 9.878 -2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.553 9.839 -3.797 1.00 0.00 H new ATOM 944 N LEU A 65 1.678 7.326 -3.246 1.00 0.00 N ATOM 945 CA LEU A 65 0.579 7.781 -4.090 1.00 0.00 C ATOM 946 C LEU A 65 0.524 9.305 -4.138 1.00 0.00 C ATOM 947 O LEU A 65 0.634 9.973 -3.110 1.00 0.00 O ATOM 948 CB LEU A 65 -0.751 7.228 -3.573 1.00 0.00 C ATOM 949 CG LEU A 65 -0.854 5.705 -3.482 1.00 0.00 C ATOM 950 CD1 LEU A 65 -1.995 5.301 -2.562 1.00 0.00 C ATOM 951 CD2 LEU A 65 -1.042 5.100 -4.866 1.00 0.00 C ATOM 0 H LEU A 65 1.399 7.047 -2.305 1.00 0.00 H new ATOM 0 HA LEU A 65 0.752 7.410 -5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.934 7.644 -2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.549 7.588 -4.223 1.00 0.00 H new ATOM 0 HG LEU A 65 0.076 5.321 -3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.053 4.214 -2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.818 5.703 -1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.933 5.696 -2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.113 4.016 -4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.956 5.490 -5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.191 5.360 -5.495 1.00 0.00 H new ATOM 963 N ASP A 66 0.352 9.848 -5.338 1.00 0.00 N ATOM 964 CA ASP A 66 0.279 11.293 -5.521 1.00 0.00 C ATOM 965 C ASP A 66 -1.097 11.707 -6.035 1.00 0.00 C ATOM 966 O ASP A 66 -1.727 10.983 -6.805 1.00 0.00 O ATOM 967 CB ASP A 66 1.363 11.761 -6.493 1.00 0.00 C ATOM 968 CG ASP A 66 1.217 11.137 -7.867 1.00 0.00 C ATOM 969 OD1 ASP A 66 0.596 10.058 -7.966 1.00 0.00 O ATOM 970 OD2 ASP A 66 1.723 11.728 -8.843 1.00 0.00 O ATOM 0 H ASP A 66 0.260 9.309 -6.199 1.00 0.00 H new ATOM 0 HA ASP A 66 0.442 11.766 -4.553 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.321 12.846 -6.584 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.343 11.512 -6.087 1.00 0.00 H new ATOM 975 N GLY A 67 -1.557 12.877 -5.602 1.00 0.00 N ATOM 976 CA GLY A 67 -2.855 13.366 -6.028 1.00 0.00 C ATOM 977 C GLY A 67 -3.997 12.713 -5.274 1.00 0.00 C ATOM 978 O GLY A 67 -4.759 11.930 -5.843 1.00 0.00 O ATOM 0 H GLY A 67 -1.054 13.494 -4.964 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.898 14.445 -5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.977 13.182 -7.096 1.00 0.00 H new ATOM 982 N LEU A 68 -4.116 13.033 -3.990 1.00 0.00 N ATOM 983 CA LEU A 68 -5.172 12.470 -3.157 1.00 0.00 C ATOM 984 C LEU A 68 -5.977 13.574 -2.479 1.00 0.00 C ATOM 985 O LEU A 68 -5.653 14.755 -2.601 1.00 0.00 O ATOM 986 CB LEU A 68 -4.574 11.538 -2.101 1.00 0.00 C ATOM 987 CG LEU A 68 -3.696 10.403 -2.629 1.00 0.00 C ATOM 988 CD1 LEU A 68 -2.923 9.753 -1.492 1.00 0.00 C ATOM 989 CD2 LEU A 68 -4.541 9.370 -3.360 1.00 0.00 C ATOM 0 H LEU A 68 -3.494 13.679 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.842 11.899 -3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.982 12.137 -1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.391 11.102 -1.526 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.980 10.823 -3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.304 8.948 -1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.288 10.497 -1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.623 9.348 -0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.899 8.570 -3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.281 8.955 -2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.049 9.844 -4.200 1.00 0.00 H new ATOM 1001 N GLU A 69 -7.026 13.180 -1.763 1.00 0.00 N ATOM 1002 CA GLU A 69 -7.876 14.138 -1.064 1.00 0.00 C ATOM 1003 C GLU A 69 -7.667 14.051 0.445 1.00 0.00 C ATOM 1004 O GLU A 69 -7.524 12.969 1.016 1.00 0.00 O ATOM 1005 CB GLU A 69 -9.347 13.888 -1.402 1.00 0.00 C ATOM 1006 CG GLU A 69 -9.668 14.044 -2.879 1.00 0.00 C ATOM 1007 CD GLU A 69 -11.079 13.607 -3.219 1.00 0.00 C ATOM 1008 OE1 GLU A 69 -11.274 12.412 -3.524 1.00 0.00 O ATOM 1009 OE2 GLU A 69 -11.990 14.461 -3.180 1.00 0.00 O ATOM 0 H GLU A 69 -7.307 12.206 -1.652 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.600 15.139 -1.394 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.618 12.881 -1.085 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.965 14.580 -0.830 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.535 15.087 -3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.959 13.458 -3.465 1.00 0.00 H new ATOM 1016 N PRO A 70 -7.649 15.217 1.107 1.00 0.00 N ATOM 1017 CA PRO A 70 -7.459 15.300 2.558 1.00 0.00 C ATOM 1018 C PRO A 70 -8.660 14.766 3.332 1.00 0.00 C ATOM 1019 O PRO A 70 -9.802 15.127 3.051 1.00 0.00 O ATOM 1020 CB PRO A 70 -7.285 16.800 2.808 1.00 0.00 C ATOM 1021 CG PRO A 70 -7.991 17.457 1.673 1.00 0.00 C ATOM 1022 CD PRO A 70 -7.814 16.544 0.491 1.00 0.00 C ATOM 0 HA PRO A 70 -6.615 14.698 2.893 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.715 17.094 3.765 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.231 17.078 2.833 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.047 17.600 1.901 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.572 18.443 1.471 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.678 16.574 -0.173 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.944 16.822 -0.105 1.00 0.00 H new ATOM 1030 N GLY A 71 -8.393 13.904 4.309 1.00 0.00 N ATOM 1031 CA GLY A 71 -9.463 13.336 5.109 1.00 0.00 C ATOM 1032 C GLY A 71 -10.213 12.240 4.378 1.00 0.00 C ATOM 1033 O GLY A 71 -11.440 12.277 4.281 1.00 0.00 O ATOM 0 H GLY A 71 -7.456 13.589 4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.048 12.934 6.033 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.161 14.125 5.390 1.00 0.00 H new ATOM 1037 N ARG A 72 -9.475 11.263 3.861 1.00 0.00 N ATOM 1038 CA ARG A 72 -10.078 10.154 3.132 1.00 0.00 C ATOM 1039 C ARG A 72 -9.406 8.834 3.498 1.00 0.00 C ATOM 1040 O ARG A 72 -8.184 8.763 3.629 1.00 0.00 O ATOM 1041 CB ARG A 72 -9.976 10.390 1.624 1.00 0.00 C ATOM 1042 CG ARG A 72 -11.028 9.647 0.818 1.00 0.00 C ATOM 1043 CD ARG A 72 -12.301 10.466 0.674 1.00 0.00 C ATOM 1044 NE ARG A 72 -13.306 9.779 -0.134 1.00 0.00 N ATOM 1045 CZ ARG A 72 -14.595 10.100 -0.131 1.00 0.00 C ATOM 1046 NH1 ARG A 72 -15.034 11.092 0.632 1.00 0.00 N ATOM 1047 NH2 ARG A 72 -15.448 9.428 -0.894 1.00 0.00 N ATOM 0 H ARG A 72 -8.459 11.217 3.934 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.130 10.097 3.413 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.066 11.458 1.425 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.987 10.084 1.283 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.632 9.412 -0.170 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.257 8.699 1.304 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.711 10.675 1.662 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.064 11.427 0.218 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.001 9.011 -0.733 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.381 11.611 1.219 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -16.024 11.336 0.632 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.114 8.665 -1.483 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.438 9.674 -0.892 1.00 0.00 H new ATOM 1061 N ASP A 73 -10.212 7.791 3.662 1.00 0.00 N ATOM 1062 CA ASP A 73 -9.695 6.472 4.012 1.00 0.00 C ATOM 1063 C ASP A 73 -9.355 5.672 2.758 1.00 0.00 C ATOM 1064 O ASP A 73 -10.137 5.624 1.808 1.00 0.00 O ATOM 1065 CB ASP A 73 -10.716 5.710 4.858 1.00 0.00 C ATOM 1066 CG ASP A 73 -11.061 6.436 6.143 1.00 0.00 C ATOM 1067 OD1 ASP A 73 -10.218 6.445 7.064 1.00 0.00 O ATOM 1068 OD2 ASP A 73 -12.174 6.995 6.227 1.00 0.00 O ATOM 0 H ASP A 73 -11.226 7.833 3.558 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.783 6.608 4.593 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.624 5.557 4.275 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.321 4.723 5.097 1.00 0.00 H new ATOM 1073 N TYR A 74 -8.184 5.046 2.763 1.00 0.00 N ATOM 1074 CA TYR A 74 -7.738 4.250 1.625 1.00 0.00 C ATOM 1075 C TYR A 74 -7.334 2.847 2.067 1.00 0.00 C ATOM 1076 O TYR A 74 -6.964 2.630 3.220 1.00 0.00 O ATOM 1077 CB TYR A 74 -6.563 4.935 0.926 1.00 0.00 C ATOM 1078 CG TYR A 74 -6.948 6.200 0.193 1.00 0.00 C ATOM 1079 CD1 TYR A 74 -7.558 6.146 -1.054 1.00 0.00 C ATOM 1080 CD2 TYR A 74 -6.703 7.450 0.748 1.00 0.00 C ATOM 1081 CE1 TYR A 74 -7.912 7.299 -1.728 1.00 0.00 C ATOM 1082 CE2 TYR A 74 -7.054 8.609 0.082 1.00 0.00 C ATOM 1083 CZ TYR A 74 -7.657 8.528 -1.155 1.00 0.00 C ATOM 1084 OH TYR A 74 -8.009 9.679 -1.823 1.00 0.00 O ATOM 0 H TYR A 74 -7.526 5.074 3.542 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.569 4.166 0.925 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.799 5.172 1.666 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.115 4.237 0.218 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.759 5.185 -1.505 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.230 7.517 1.717 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.385 7.239 -2.697 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.857 9.573 0.528 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.221 10.382 -1.174 1.00 0.00 H new ATOM 1094 N GLU A 75 -7.407 1.897 1.139 1.00 0.00 N ATOM 1095 CA GLU A 75 -7.049 0.515 1.432 1.00 0.00 C ATOM 1096 C GLU A 75 -5.929 0.036 0.512 1.00 0.00 C ATOM 1097 O GLU A 75 -6.175 -0.666 -0.469 1.00 0.00 O ATOM 1098 CB GLU A 75 -8.270 -0.394 1.283 1.00 0.00 C ATOM 1099 CG GLU A 75 -9.375 -0.098 2.284 1.00 0.00 C ATOM 1100 CD GLU A 75 -10.440 -1.177 2.313 1.00 0.00 C ATOM 1101 OE1 GLU A 75 -11.047 -1.439 1.254 1.00 0.00 O ATOM 1102 OE2 GLU A 75 -10.667 -1.759 3.394 1.00 0.00 O ATOM 0 H GLU A 75 -7.711 2.060 0.179 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.694 0.469 2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.668 -0.291 0.274 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.956 -1.432 1.397 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.941 0.006 3.278 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.838 0.857 2.037 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.699 0.421 0.835 1.00 0.00 N ATOM 1110 CA VAL A 76 -3.542 0.032 0.039 1.00 0.00 C ATOM 1111 C VAL A 76 -3.117 -1.399 0.350 1.00 0.00 C ATOM 1112 O VAL A 76 -2.552 -1.674 1.409 1.00 0.00 O ATOM 1113 CB VAL A 76 -2.348 0.974 0.285 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -1.167 0.579 -0.588 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -2.750 2.419 0.030 1.00 0.00 C ATOM 0 H VAL A 76 -4.478 1.003 1.643 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.841 0.101 -1.007 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.044 0.883 1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.333 1.256 -0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.866 -0.442 -0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.454 0.640 -1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.895 3.071 0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.080 2.528 -1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.563 2.694 0.702 1.00 0.00 H new ATOM 1125 N SER A 77 -3.393 -2.308 -0.579 1.00 0.00 N ATOM 1126 CA SER A 77 -3.043 -3.712 -0.404 1.00 0.00 C ATOM 1127 C SER A 77 -1.808 -4.071 -1.225 1.00 0.00 C ATOM 1128 O SER A 77 -1.626 -3.582 -2.339 1.00 0.00 O ATOM 1129 CB SER A 77 -4.216 -4.607 -0.808 1.00 0.00 C ATOM 1130 OG SER A 77 -3.951 -5.965 -0.503 1.00 0.00 O ATOM 0 H SER A 77 -3.859 -2.097 -1.462 1.00 0.00 H new ATOM 0 HA SER A 77 -2.817 -3.875 0.650 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.119 -4.284 -0.290 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.407 -4.502 -1.876 1.00 0.00 H new ATOM 0 HG SER A 77 -3.980 -6.497 -1.326 1.00 0.00 H new ATOM 1136 N VAL A 78 -0.962 -4.931 -0.665 1.00 0.00 N ATOM 1137 CA VAL A 78 0.255 -5.357 -1.345 1.00 0.00 C ATOM 1138 C VAL A 78 0.296 -6.874 -1.499 1.00 0.00 C ATOM 1139 O VAL A 78 0.028 -7.610 -0.550 1.00 0.00 O ATOM 1140 CB VAL A 78 1.513 -4.895 -0.585 1.00 0.00 C ATOM 1141 CG1 VAL A 78 2.771 -5.377 -1.292 1.00 0.00 C ATOM 1142 CG2 VAL A 78 1.520 -3.381 -0.439 1.00 0.00 C ATOM 0 H VAL A 78 -1.098 -5.346 0.257 1.00 0.00 H new ATOM 0 HA VAL A 78 0.245 -4.895 -2.332 1.00 0.00 H new ATOM 0 HB VAL A 78 1.496 -5.333 0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.649 -5.041 -0.741 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.767 -6.466 -1.340 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.799 -4.970 -2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.415 -3.072 0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.514 -2.920 -1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.636 -3.065 0.114 1.00 0.00 H new ATOM 1152 N GLN A 79 0.633 -7.332 -2.700 1.00 0.00 N ATOM 1153 CA GLN A 79 0.709 -8.761 -2.978 1.00 0.00 C ATOM 1154 C GLN A 79 2.057 -9.126 -3.590 1.00 0.00 C ATOM 1155 O GLN A 79 2.401 -8.663 -4.678 1.00 0.00 O ATOM 1156 CB GLN A 79 -0.423 -9.180 -3.919 1.00 0.00 C ATOM 1157 CG GLN A 79 -0.182 -10.516 -4.602 1.00 0.00 C ATOM 1158 CD GLN A 79 -1.195 -10.804 -5.693 1.00 0.00 C ATOM 1159 OE1 GLN A 79 -1.641 -9.898 -6.397 1.00 0.00 O ATOM 1160 NE2 GLN A 79 -1.564 -12.072 -5.839 1.00 0.00 N ATOM 0 H GLN A 79 0.858 -6.735 -3.496 1.00 0.00 H new ATOM 0 HA GLN A 79 0.603 -9.295 -2.034 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.354 -9.233 -3.354 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.555 -8.411 -4.680 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.820 -10.525 -5.030 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.218 -11.312 -3.858 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -1.169 -12.791 -5.233 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.243 -12.326 -6.557 1.00 0.00 H new ATOM 1169 N SER A 80 2.816 -9.959 -2.885 1.00 0.00 N ATOM 1170 CA SER A 80 4.129 -10.382 -3.358 1.00 0.00 C ATOM 1171 C SER A 80 4.003 -11.240 -4.614 1.00 0.00 C ATOM 1172 O SER A 80 3.430 -12.329 -4.581 1.00 0.00 O ATOM 1173 CB SER A 80 4.860 -11.163 -2.264 1.00 0.00 C ATOM 1174 OG SER A 80 5.042 -10.369 -1.105 1.00 0.00 O ATOM 0 H SER A 80 2.544 -10.354 -1.985 1.00 0.00 H new ATOM 0 HA SER A 80 4.705 -9.490 -3.605 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.291 -12.058 -2.010 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.829 -11.496 -2.636 1.00 0.00 H new ATOM 0 HG SER A 80 5.363 -10.932 -0.370 1.00 0.00 H new ATOM 1180 N LEU A 81 4.543 -10.740 -5.720 1.00 0.00 N ATOM 1181 CA LEU A 81 4.493 -11.459 -6.988 1.00 0.00 C ATOM 1182 C LEU A 81 5.866 -12.013 -7.355 1.00 0.00 C ATOM 1183 O LEU A 81 6.851 -11.276 -7.404 1.00 0.00 O ATOM 1184 CB LEU A 81 3.989 -10.537 -8.100 1.00 0.00 C ATOM 1185 CG LEU A 81 2.515 -10.137 -8.024 1.00 0.00 C ATOM 1186 CD1 LEU A 81 2.121 -9.319 -9.244 1.00 0.00 C ATOM 1187 CD2 LEU A 81 1.634 -11.371 -7.899 1.00 0.00 C ATOM 0 H LEU A 81 5.020 -9.840 -5.764 1.00 0.00 H new ATOM 0 HA LEU A 81 3.803 -12.295 -6.876 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.592 -9.629 -8.093 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.163 -11.027 -9.058 1.00 0.00 H new ATOM 0 HG LEU A 81 2.370 -9.521 -7.137 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.069 -9.043 -9.173 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.730 -8.416 -9.289 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.281 -9.910 -10.146 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.588 -11.068 -7.846 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.782 -12.013 -8.767 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.899 -11.917 -6.994 1.00 0.00 H new ATOM 1199 N ARG A 82 5.923 -13.316 -7.613 1.00 0.00 N ATOM 1200 CA ARG A 82 7.175 -13.969 -7.976 1.00 0.00 C ATOM 1201 C ARG A 82 7.006 -14.800 -9.245 1.00 0.00 C ATOM 1202 O ARG A 82 7.810 -14.707 -10.171 1.00 0.00 O ATOM 1203 CB ARG A 82 7.661 -14.859 -6.831 1.00 0.00 C ATOM 1204 CG ARG A 82 9.050 -15.434 -7.055 1.00 0.00 C ATOM 1205 CD ARG A 82 9.299 -16.648 -6.174 1.00 0.00 C ATOM 1206 NE ARG A 82 8.330 -17.712 -6.421 1.00 0.00 N ATOM 1207 CZ ARG A 82 8.435 -18.935 -5.912 1.00 0.00 C ATOM 1208 NH1 ARG A 82 9.461 -19.246 -5.132 1.00 0.00 N ATOM 1209 NH2 ARG A 82 7.512 -19.849 -6.183 1.00 0.00 N ATOM 0 H ARG A 82 5.117 -13.940 -7.577 1.00 0.00 H new ATOM 0 HA ARG A 82 7.919 -13.195 -8.166 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.661 -14.281 -5.907 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.955 -15.678 -6.694 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.165 -15.713 -8.102 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.799 -14.671 -6.845 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.306 -17.026 -6.354 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.252 -16.351 -5.126 1.00 0.00 H new ATOM 0 HE ARG A 82 7.528 -17.505 -7.017 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.172 -18.546 -4.921 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.539 -20.185 -4.743 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.721 -19.613 -6.782 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.593 -20.788 -5.792 1.00 0.00 H new ATOM 1223 N GLY A 83 5.954 -15.612 -9.278 1.00 0.00 N ATOM 1224 CA GLY A 83 5.699 -16.448 -10.437 1.00 0.00 C ATOM 1225 C GLY A 83 4.260 -16.369 -10.904 1.00 0.00 C ATOM 1226 O GLY A 83 3.623 -15.317 -10.845 1.00 0.00 O ATOM 0 H GLY A 83 5.274 -15.706 -8.524 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.359 -16.147 -11.251 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.943 -17.483 -10.196 1.00 0.00 H new ATOM 1230 N PRO A 84 3.725 -17.502 -11.384 1.00 0.00 N ATOM 1231 CA PRO A 84 2.346 -17.581 -11.874 1.00 0.00 C ATOM 1232 C PRO A 84 1.323 -17.459 -10.750 1.00 0.00 C ATOM 1233 O PRO A 84 0.121 -17.387 -10.998 1.00 0.00 O ATOM 1234 CB PRO A 84 2.276 -18.970 -12.513 1.00 0.00 C ATOM 1235 CG PRO A 84 3.325 -19.763 -11.812 1.00 0.00 C ATOM 1236 CD PRO A 84 4.427 -18.793 -11.484 1.00 0.00 C ATOM 0 HA PRO A 84 2.110 -16.768 -12.561 1.00 0.00 H new ATOM 0 HB2 PRO A 84 1.290 -19.416 -12.384 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.466 -18.923 -13.585 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.927 -20.223 -10.907 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.692 -20.571 -12.445 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.926 -19.052 -10.551 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.192 -18.776 -12.260 1.00 0.00 H new ATOM 1244 N GLU A 85 1.810 -17.436 -9.513 1.00 0.00 N ATOM 1245 CA GLU A 85 0.937 -17.323 -8.351 1.00 0.00 C ATOM 1246 C GLU A 85 1.380 -16.177 -7.446 1.00 0.00 C ATOM 1247 O GLU A 85 2.574 -15.945 -7.259 1.00 0.00 O ATOM 1248 CB GLU A 85 0.928 -18.635 -7.563 1.00 0.00 C ATOM 1249 CG GLU A 85 2.295 -19.039 -7.038 1.00 0.00 C ATOM 1250 CD GLU A 85 2.364 -20.506 -6.660 1.00 0.00 C ATOM 1251 OE1 GLU A 85 2.218 -21.358 -7.562 1.00 0.00 O ATOM 1252 OE2 GLU A 85 2.564 -20.802 -5.464 1.00 0.00 O ATOM 0 H GLU A 85 2.804 -17.494 -9.290 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.072 -17.113 -8.706 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.239 -18.540 -6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.544 -19.430 -8.202 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.049 -18.827 -7.796 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.540 -18.431 -6.167 1.00 0.00 H new ATOM 1259 N GLY A 86 0.408 -15.461 -6.888 1.00 0.00 N ATOM 1260 CA GLY A 86 0.717 -14.347 -6.011 1.00 0.00 C ATOM 1261 C GLY A 86 0.332 -14.619 -4.571 1.00 0.00 C ATOM 1262 O GLY A 86 -0.525 -15.460 -4.298 1.00 0.00 O ATOM 0 H GLY A 86 -0.588 -15.633 -7.028 1.00 0.00 H new ATOM 0 HA2 GLY A 86 1.784 -14.132 -6.064 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.195 -13.457 -6.362 1.00 0.00 H new ATOM 1266 N SER A 87 0.967 -13.907 -3.645 1.00 0.00 N ATOM 1267 CA SER A 87 0.689 -14.080 -2.224 1.00 0.00 C ATOM 1268 C SER A 87 -0.670 -13.489 -1.860 1.00 0.00 C ATOM 1269 O SER A 87 -1.312 -12.832 -2.679 1.00 0.00 O ATOM 1270 CB SER A 87 1.785 -13.421 -1.385 1.00 0.00 C ATOM 1271 OG SER A 87 1.276 -12.975 -0.140 1.00 0.00 O ATOM 0 H SER A 87 1.677 -13.205 -3.853 1.00 0.00 H new ATOM 0 HA SER A 87 0.670 -15.149 -2.010 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.595 -14.131 -1.217 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.208 -12.578 -1.931 1.00 0.00 H new ATOM 0 HG SER A 87 1.635 -13.535 0.580 1.00 0.00 H new ATOM 1277 N GLU A 88 -1.101 -13.728 -0.625 1.00 0.00 N ATOM 1278 CA GLU A 88 -2.384 -13.221 -0.153 1.00 0.00 C ATOM 1279 C GLU A 88 -2.394 -11.695 -0.141 1.00 0.00 C ATOM 1280 O GLU A 88 -1.343 -11.056 -0.177 1.00 0.00 O ATOM 1281 CB GLU A 88 -2.683 -13.755 1.249 1.00 0.00 C ATOM 1282 CG GLU A 88 -3.287 -15.149 1.254 1.00 0.00 C ATOM 1283 CD GLU A 88 -4.714 -15.169 0.742 1.00 0.00 C ATOM 1284 OE1 GLU A 88 -5.604 -14.646 1.445 1.00 0.00 O ATOM 1285 OE2 GLU A 88 -4.941 -15.707 -0.362 1.00 0.00 O ATOM 0 H GLU A 88 -0.581 -14.269 0.066 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.158 -13.567 -0.838 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.760 -13.766 1.829 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.367 -13.070 1.751 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.675 -15.808 0.638 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.263 -15.547 2.268 1.00 0.00 H new ATOM 1292 N ALA A 89 -3.590 -11.118 -0.091 1.00 0.00 N ATOM 1293 CA ALA A 89 -3.739 -9.668 -0.073 1.00 0.00 C ATOM 1294 C ALA A 89 -3.624 -9.122 1.346 1.00 0.00 C ATOM 1295 O ALA A 89 -4.329 -9.567 2.251 1.00 0.00 O ATOM 1296 CB ALA A 89 -5.070 -9.266 -0.690 1.00 0.00 C ATOM 0 H ALA A 89 -4.470 -11.633 -0.062 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.932 -9.237 -0.666 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.167 -8.181 -0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.113 -9.615 -1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.885 -9.714 -0.121 1.00 0.00 H new ATOM 1302 N ARG A 90 -2.730 -8.156 1.533 1.00 0.00 N ATOM 1303 CA ARG A 90 -2.522 -7.551 2.843 1.00 0.00 C ATOM 1304 C ARG A 90 -2.630 -6.031 2.763 1.00 0.00 C ATOM 1305 O ARG A 90 -1.698 -5.354 2.329 1.00 0.00 O ATOM 1306 CB ARG A 90 -1.154 -7.947 3.400 1.00 0.00 C ATOM 1307 CG ARG A 90 -1.062 -9.409 3.807 1.00 0.00 C ATOM 1308 CD ARG A 90 -1.924 -9.703 5.025 1.00 0.00 C ATOM 1309 NE ARG A 90 -1.451 -8.997 6.213 1.00 0.00 N ATOM 1310 CZ ARG A 90 -1.797 -9.329 7.451 1.00 0.00 C ATOM 1311 NH1 ARG A 90 -2.615 -10.352 7.663 1.00 0.00 N ATOM 1312 NH2 ARG A 90 -1.325 -8.639 8.481 1.00 0.00 N ATOM 0 H ARG A 90 -2.139 -7.776 0.794 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.299 -7.919 3.513 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.391 -7.739 2.649 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.929 -7.323 4.265 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.377 -10.040 2.976 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.024 -9.663 4.024 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.955 -9.414 4.818 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.926 -10.776 5.217 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.820 -8.206 6.084 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.980 -10.886 6.874 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.879 -10.605 8.615 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.695 -7.852 8.322 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.592 -8.895 9.432 1.00 0.00 H new ATOM 1326 N GLY A 91 -3.774 -5.500 3.184 1.00 0.00 N ATOM 1327 CA GLY A 91 -3.983 -4.064 3.151 1.00 0.00 C ATOM 1328 C GLY A 91 -4.063 -3.458 4.538 1.00 0.00 C ATOM 1329 O GLY A 91 -4.518 -4.107 5.481 1.00 0.00 O ATOM 0 H GLY A 91 -4.560 -6.039 3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.169 -3.594 2.599 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.903 -3.846 2.609 1.00 0.00 H new ATOM 1333 N ILE A 92 -3.619 -2.212 4.664 1.00 0.00 N ATOM 1334 CA ILE A 92 -3.643 -1.520 5.946 1.00 0.00 C ATOM 1335 C ILE A 92 -4.532 -0.283 5.887 1.00 0.00 C ATOM 1336 O ILE A 92 -4.390 0.554 4.995 1.00 0.00 O ATOM 1337 CB ILE A 92 -2.227 -1.100 6.385 1.00 0.00 C ATOM 1338 CG1 ILE A 92 -2.300 -0.191 7.614 1.00 0.00 C ATOM 1339 CG2 ILE A 92 -1.504 -0.400 5.244 1.00 0.00 C ATOM 1340 CD1 ILE A 92 -0.950 0.091 8.237 1.00 0.00 C ATOM 0 H ILE A 92 -3.239 -1.662 3.894 1.00 0.00 H new ATOM 0 HA ILE A 92 -4.049 -2.221 6.675 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.664 -1.995 6.650 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.765 0.753 7.331 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.946 -0.653 8.360 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.505 -0.110 5.570 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.426 -1.077 4.393 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.063 0.489 4.950 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.077 0.741 9.103 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.491 -0.846 8.552 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.307 0.582 7.506 1.00 0.00 H new ATOM 1352 N ARG A 93 -5.449 -0.173 6.843 1.00 0.00 N ATOM 1353 CA ARG A 93 -6.362 0.962 6.900 1.00 0.00 C ATOM 1354 C ARG A 93 -5.592 2.280 6.893 1.00 0.00 C ATOM 1355 O ARG A 93 -5.034 2.690 7.911 1.00 0.00 O ATOM 1356 CB ARG A 93 -7.237 0.878 8.151 1.00 0.00 C ATOM 1357 CG ARG A 93 -8.547 1.640 8.031 1.00 0.00 C ATOM 1358 CD ARG A 93 -9.463 1.014 6.991 1.00 0.00 C ATOM 1359 NE ARG A 93 -10.872 1.266 7.281 1.00 0.00 N ATOM 1360 CZ ARG A 93 -11.863 0.509 6.823 1.00 0.00 C ATOM 1361 NH1 ARG A 93 -11.600 -0.543 6.059 1.00 0.00 N ATOM 1362 NH2 ARG A 93 -13.120 0.802 7.131 1.00 0.00 N ATOM 0 H ARG A 93 -5.579 -0.857 7.589 1.00 0.00 H new ATOM 0 HA ARG A 93 -6.999 0.928 6.016 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.454 -0.169 8.363 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.677 1.266 9.002 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.050 1.656 8.998 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.343 2.676 7.761 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -9.219 1.412 6.006 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.287 -0.061 6.953 1.00 0.00 H new ATOM 0 HE ARG A 93 -11.108 2.067 7.867 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -10.635 -0.773 5.822 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -12.363 -1.122 5.709 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -13.326 1.609 7.720 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -13.880 0.220 6.779 1.00 0.00 H new ATOM 1376 N ALA A 94 -5.565 2.938 5.738 1.00 0.00 N ATOM 1377 CA ALA A 94 -4.865 4.209 5.599 1.00 0.00 C ATOM 1378 C ALA A 94 -5.735 5.369 6.071 1.00 0.00 C ATOM 1379 O ALA A 94 -6.963 5.302 6.008 1.00 0.00 O ATOM 1380 CB ALA A 94 -4.438 4.421 4.154 1.00 0.00 C ATOM 0 H ALA A 94 -6.020 2.612 4.885 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.976 4.177 6.228 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.916 5.374 4.065 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.773 3.613 3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.319 4.428 3.512 1.00 0.00 H new ATOM 1386 N ARG A 95 -5.091 6.431 6.544 1.00 0.00 N ATOM 1387 CA ARG A 95 -5.807 7.605 7.029 1.00 0.00 C ATOM 1388 C ARG A 95 -5.010 8.878 6.757 1.00 0.00 C ATOM 1389 O ARG A 95 -3.779 8.864 6.754 1.00 0.00 O ATOM 1390 CB ARG A 95 -6.087 7.476 8.527 1.00 0.00 C ATOM 1391 CG ARG A 95 -4.847 7.630 9.394 1.00 0.00 C ATOM 1392 CD ARG A 95 -5.051 7.018 10.771 1.00 0.00 C ATOM 1393 NE ARG A 95 -3.796 6.549 11.352 1.00 0.00 N ATOM 1394 CZ ARG A 95 -3.603 6.395 12.657 1.00 0.00 C ATOM 1395 NH1 ARG A 95 -4.578 6.670 13.512 1.00 0.00 N ATOM 1396 NH2 ARG A 95 -2.432 5.963 13.110 1.00 0.00 N ATOM 0 H ARG A 95 -4.075 6.503 6.602 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.755 7.668 6.494 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.819 8.230 8.817 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.537 6.503 8.721 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -3.998 7.153 8.905 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -4.603 8.687 9.497 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -5.503 7.757 11.433 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -5.750 6.185 10.698 1.00 0.00 H new ATOM 0 HE ARG A 95 -3.026 6.328 10.721 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.480 7.001 13.168 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -4.427 6.551 14.514 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.679 5.749 12.456 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -2.285 5.845 14.112 1.00 0.00 H new ATOM 1410 N THR A 96 -5.721 9.978 6.529 1.00 0.00 N ATOM 1411 CA THR A 96 -5.082 11.258 6.255 1.00 0.00 C ATOM 1412 C THR A 96 -5.851 12.406 6.898 1.00 0.00 C ATOM 1413 O THR A 96 -7.082 12.443 6.888 1.00 0.00 O ATOM 1414 CB THR A 96 -4.968 11.516 4.740 1.00 0.00 C ATOM 1415 OG1 THR A 96 -6.196 11.168 4.091 1.00 0.00 O ATOM 1416 CG2 THR A 96 -3.825 10.713 4.139 1.00 0.00 C ATOM 0 H THR A 96 -6.741 10.007 6.529 1.00 0.00 H new ATOM 0 HA THR A 96 -4.081 11.210 6.684 1.00 0.00 H new ATOM 0 HB THR A 96 -4.765 12.576 4.588 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.117 11.336 3.129 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.764 10.911 3.069 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.888 11.001 4.615 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.002 9.650 4.301 1.00 0.00 H new ATOM 1424 N PRO A 97 -5.112 13.367 7.471 1.00 0.00 N ATOM 1425 CA PRO A 97 -5.704 14.536 8.129 1.00 0.00 C ATOM 1426 C PRO A 97 -6.355 15.492 7.136 1.00 0.00 C ATOM 1427 O PRO A 97 -6.459 15.193 5.945 1.00 0.00 O ATOM 1428 CB PRO A 97 -4.507 15.205 8.809 1.00 0.00 C ATOM 1429 CG PRO A 97 -3.327 14.776 8.008 1.00 0.00 C ATOM 1430 CD PRO A 97 -3.640 13.388 7.520 1.00 0.00 C ATOM 0 HA PRO A 97 -6.501 14.256 8.818 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -4.610 16.290 8.813 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.415 14.890 9.848 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -3.155 15.454 7.172 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.421 14.782 8.614 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.203 13.199 6.540 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.250 12.627 8.196 1.00 0.00 H new ATOM 1438 N THR A 98 -6.794 16.645 7.632 1.00 0.00 N ATOM 1439 CA THR A 98 -7.435 17.645 6.788 1.00 0.00 C ATOM 1440 C THR A 98 -6.710 18.983 6.873 1.00 0.00 C ATOM 1441 O THR A 98 -6.689 19.623 7.924 1.00 0.00 O ATOM 1442 CB THR A 98 -8.911 17.848 7.181 1.00 0.00 C ATOM 1443 OG1 THR A 98 -9.031 17.940 8.605 1.00 0.00 O ATOM 1444 CG2 THR A 98 -9.770 16.703 6.667 1.00 0.00 C ATOM 0 H THR A 98 -6.717 16.909 8.614 1.00 0.00 H new ATOM 0 HA THR A 98 -7.386 17.273 5.765 1.00 0.00 H new ATOM 0 HB THR A 98 -9.261 18.775 6.727 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.322 18.519 8.956 1.00 0.00 H new ATOM 0 HG21 THR A 98 -10.808 16.868 6.957 1.00 0.00 H new ATOM 0 HG22 THR A 98 -9.700 16.655 5.580 1.00 0.00 H new ATOM 0 HG23 THR A 98 -9.419 15.764 7.095 1.00 0.00 H new ATOM 1452 N SER A 99 -6.117 19.401 5.759 1.00 0.00 N ATOM 1453 CA SER A 99 -5.387 20.663 5.708 1.00 0.00 C ATOM 1454 C SER A 99 -6.349 21.843 5.613 1.00 0.00 C ATOM 1455 O SER A 99 -6.660 22.319 4.522 1.00 0.00 O ATOM 1456 CB SER A 99 -4.429 20.675 4.517 1.00 0.00 C ATOM 1457 OG SER A 99 -3.353 21.571 4.736 1.00 0.00 O ATOM 0 H SER A 99 -6.128 18.884 4.880 1.00 0.00 H new ATOM 0 HA SER A 99 -4.811 20.759 6.629 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.041 19.670 4.348 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.969 20.964 3.615 1.00 0.00 H new ATOM 0 HG SER A 99 -2.754 21.559 3.960 1.00 0.00 H new ATOM 1463 N GLY A 100 -6.818 22.311 6.766 1.00 0.00 N ATOM 1464 CA GLY A 100 -7.740 23.432 6.792 1.00 0.00 C ATOM 1465 C GLY A 100 -7.769 24.128 8.139 1.00 0.00 C ATOM 1466 O GLY A 100 -6.989 23.817 9.039 1.00 0.00 O ATOM 0 H GLY A 100 -6.576 21.934 7.682 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.457 24.149 6.022 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.742 23.080 6.547 1.00 0.00 H new ATOM 1470 N PRO A 101 -8.685 25.096 8.289 1.00 0.00 N ATOM 1471 CA PRO A 101 -8.833 25.859 9.532 1.00 0.00 C ATOM 1472 C PRO A 101 -9.398 25.012 10.668 1.00 0.00 C ATOM 1473 O PRO A 101 -10.385 24.298 10.492 1.00 0.00 O ATOM 1474 CB PRO A 101 -9.818 26.968 9.152 1.00 0.00 C ATOM 1475 CG PRO A 101 -10.597 26.408 8.012 1.00 0.00 C ATOM 1476 CD PRO A 101 -9.647 25.519 7.258 1.00 0.00 C ATOM 0 HA PRO A 101 -7.876 26.228 9.901 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.468 27.224 9.988 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.295 27.880 8.864 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -11.459 25.844 8.368 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.978 27.204 7.372 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.161 24.666 6.814 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -9.156 26.054 6.445 1.00 0.00 H new ATOM 1484 N SER A 102 -8.765 25.097 11.834 1.00 0.00 N ATOM 1485 CA SER A 102 -9.202 24.336 12.998 1.00 0.00 C ATOM 1486 C SER A 102 -10.080 25.190 13.907 1.00 0.00 C ATOM 1487 O SER A 102 -9.587 25.861 14.814 1.00 0.00 O ATOM 1488 CB SER A 102 -7.993 23.818 13.779 1.00 0.00 C ATOM 1489 OG SER A 102 -7.244 22.896 13.006 1.00 0.00 O ATOM 0 H SER A 102 -7.948 25.685 11.997 1.00 0.00 H new ATOM 0 HA SER A 102 -9.789 23.488 12.646 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.358 24.655 14.069 1.00 0.00 H new ATOM 0 HB3 SER A 102 -8.328 23.339 14.699 1.00 0.00 H new ATOM 0 HG SER A 102 -6.476 22.581 13.527 1.00 0.00 H new ATOM 1495 N SER A 103 -11.385 25.161 13.657 1.00 0.00 N ATOM 1496 CA SER A 103 -12.334 25.935 14.450 1.00 0.00 C ATOM 1497 C SER A 103 -12.664 25.218 15.755 1.00 0.00 C ATOM 1498 O SER A 103 -12.278 24.067 15.959 1.00 0.00 O ATOM 1499 CB SER A 103 -13.615 26.182 13.652 1.00 0.00 C ATOM 1500 OG SER A 103 -13.434 27.219 12.704 1.00 0.00 O ATOM 0 H SER A 103 -11.810 24.610 12.911 1.00 0.00 H new ATOM 0 HA SER A 103 -11.873 26.893 14.689 1.00 0.00 H new ATOM 0 HB2 SER A 103 -13.911 25.266 13.141 1.00 0.00 H new ATOM 0 HB3 SER A 103 -14.426 26.444 14.332 1.00 0.00 H new ATOM 0 HG SER A 103 -14.267 27.356 12.206 1.00 0.00 H new ATOM 1506 N GLY A 104 -13.381 25.907 16.637 1.00 0.00 N ATOM 1507 CA GLY A 104 -13.752 25.321 17.912 1.00 0.00 C ATOM 1508 C GLY A 104 -12.630 24.505 18.523 1.00 0.00 C ATOM 1509 O GLY A 104 -11.503 24.983 18.648 1.00 0.00 O ATOM 0 H GLY A 104 -13.712 26.861 16.492 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.039 26.114 18.603 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -14.627 24.685 17.775 1.00 0.00 H new TER 1513 GLY A 104