USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 797 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 18 MET CE :methyl 159:sc= -1.68 (180deg=-0.516) USER MOD Set 1.2: A 82 MET CE :methyl 165:sc= -8.95! (180deg=-6.25!) USER MOD Set 1.3: A 86 MET CE :methyl -165:sc= -10.1! (180deg=-10.4!) USER MOD Set 2.1: A 39 THR OG1 : rot -170:sc= 0 USER MOD Set 2.2: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 46 MET CE :methyl -148:sc= -3.11 (180deg=-8.05!) USER MOD Set 3.2: A 51 GLN : amide:sc= -0.146 K(o=-3.3,f=-5.9!) USER MOD Set 4.1: A 4 THR OG1 : rot 95:sc= 0.0186 USER MOD Set 4.2: A 6 GLN : amide:sc= -3.71 K(o=-3.7,f=-4.4!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 38:sc= 0.476 USER MOD Single : A 3 MET CE :methyl -144:sc= -0.455 (180deg=-1.55!) USER MOD Single : A 7 GLN : amide:sc= -4.57! C(o=-4.6!,f=-2.8!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -145:sc= 0 (180deg=-0.996) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 164:sc= -9.49! (180deg=-10.2!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0.029) USER MOD Single : A 54 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 65:sc= -0.842 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 81 MET CE :methyl -144:sc= -2.08 (180deg=-4.98!) USER MOD Single : A 85 GLN : amide:sc= -0.234 K(o=-0.23,f=-2.8!) USER MOD Single : A 87 LYS NZ :NH3+ -149:sc= -0.573 (180deg=-1.7!) USER MOD Single : B 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 117 SER OG : rot -58:sc= 1.24 USER MOD Single : B 121 MET CE :methyl 149:sc= -4.44! (180deg=-6.3!) USER MOD Single : B 128 SER OG : rot 180:sc= 0 USER MOD Single : B 129 LYS NZ :NH3+ 165:sc=-0.00613 (180deg=-0.127) USER MOD Single : B 130 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.079) USER MOD Single : B 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -24.300 3.743 -8.657 1.00 0.00 N ATOM 2 CA ALA A 1 -23.665 2.402 -8.579 1.00 0.00 C ATOM 3 C ALA A 1 -23.067 2.161 -7.197 1.00 0.00 C ATOM 4 O ALA A 1 -22.098 2.811 -6.807 1.00 0.00 O ATOM 5 CB ALA A 1 -22.593 2.263 -9.648 1.00 0.00 C ATOM 0 H1 ALA A 1 -24.700 3.883 -9.607 1.00 0.00 H new ATOM 0 H2 ALA A 1 -25.059 3.809 -7.949 1.00 0.00 H new ATOM 0 H3 ALA A 1 -23.587 4.476 -8.470 1.00 0.00 H new ATOM 0 HA ALA A 1 -24.436 1.651 -8.752 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -22.136 1.276 -9.579 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -23.043 2.387 -10.633 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -21.830 3.027 -9.499 1.00 0.00 H new ATOM 13 N SER A 2 -23.651 1.220 -6.461 1.00 0.00 N ATOM 14 CA SER A 2 -23.175 0.892 -5.122 1.00 0.00 C ATOM 15 C SER A 2 -22.069 -0.157 -5.180 1.00 0.00 C ATOM 16 O SER A 2 -22.293 -1.286 -5.619 1.00 0.00 O ATOM 17 CB SER A 2 -24.330 0.386 -4.257 1.00 0.00 C ATOM 18 OG SER A 2 -24.932 -0.763 -4.831 1.00 0.00 O ATOM 0 H SER A 2 -24.454 0.672 -6.769 1.00 0.00 H new ATOM 0 HA SER A 2 -22.767 1.799 -4.676 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.964 0.148 -3.258 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.076 1.173 -4.144 1.00 0.00 H new ATOM 0 HG SER A 2 -24.240 -1.327 -5.236 1.00 0.00 H new ATOM 24 N MET A 3 -20.877 0.224 -4.735 1.00 0.00 N ATOM 25 CA MET A 3 -19.734 -0.683 -4.735 1.00 0.00 C ATOM 26 C MET A 3 -18.722 -0.281 -3.668 1.00 0.00 C ATOM 27 O MET A 3 -18.984 0.597 -2.848 1.00 0.00 O ATOM 28 CB MET A 3 -19.069 -0.696 -6.114 1.00 0.00 C ATOM 29 CG MET A 3 -19.354 -1.956 -6.914 1.00 0.00 C ATOM 30 SD MET A 3 -18.916 -1.788 -8.656 1.00 0.00 S ATOM 31 CE MET A 3 -19.902 -0.366 -9.116 1.00 0.00 C ATOM 0 H MET A 3 -20.676 1.155 -4.369 1.00 0.00 H new ATOM 0 HA MET A 3 -20.094 -1.686 -4.505 1.00 0.00 H new ATOM 0 HB2 MET A 3 -19.411 0.170 -6.681 1.00 0.00 H new ATOM 0 HB3 MET A 3 -17.991 -0.590 -5.990 1.00 0.00 H new ATOM 0 HG2 MET A 3 -18.799 -2.789 -6.483 1.00 0.00 H new ATOM 0 HG3 MET A 3 -20.413 -2.202 -6.832 1.00 0.00 H new ATOM 0 HE1 MET A 3 -20.266 -0.490 -10.136 1.00 0.00 H new ATOM 0 HE2 MET A 3 -20.750 -0.276 -8.437 1.00 0.00 H new ATOM 0 HE3 MET A 3 -19.291 0.535 -9.056 1.00 0.00 H new ATOM 41 N THR A 4 -17.563 -0.932 -3.684 1.00 0.00 N ATOM 42 CA THR A 4 -16.511 -0.642 -2.717 1.00 0.00 C ATOM 43 C THR A 4 -15.777 0.645 -3.082 1.00 0.00 C ATOM 44 O THR A 4 -14.999 0.679 -4.034 1.00 0.00 O ATOM 45 CB THR A 4 -15.522 -1.807 -2.640 1.00 0.00 C ATOM 46 OG1 THR A 4 -14.567 -1.587 -1.620 1.00 0.00 O ATOM 47 CG2 THR A 4 -14.769 -2.042 -3.932 1.00 0.00 C ATOM 0 H THR A 4 -17.329 -1.663 -4.356 1.00 0.00 H new ATOM 0 HA THR A 4 -16.976 -0.508 -1.740 1.00 0.00 H new ATOM 0 HB THR A 4 -16.130 -2.687 -2.429 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.861 -2.028 -0.796 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.085 -2.882 -3.807 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.477 -2.266 -4.730 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.202 -1.148 -4.190 1.00 0.00 H new ATOM 55 N ASP A 5 -16.031 1.702 -2.316 1.00 0.00 N ATOM 56 CA ASP A 5 -15.397 2.993 -2.557 1.00 0.00 C ATOM 57 C ASP A 5 -14.291 3.271 -1.539 1.00 0.00 C ATOM 58 O ASP A 5 -13.673 4.334 -1.559 1.00 0.00 O ATOM 59 CB ASP A 5 -16.440 4.111 -2.509 1.00 0.00 C ATOM 60 CG ASP A 5 -17.455 4.003 -3.629 1.00 0.00 C ATOM 61 OD1 ASP A 5 -17.107 3.450 -4.695 1.00 0.00 O ATOM 62 OD2 ASP A 5 -18.597 4.472 -3.442 1.00 0.00 O ATOM 0 H ASP A 5 -16.672 1.689 -1.523 1.00 0.00 H new ATOM 0 HA ASP A 5 -14.945 2.961 -3.548 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -16.957 4.081 -1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -15.937 5.076 -2.570 1.00 0.00 H new ATOM 67 N GLN A 6 -14.046 2.312 -0.646 1.00 0.00 N ATOM 68 CA GLN A 6 -13.016 2.462 0.380 1.00 0.00 C ATOM 69 C GLN A 6 -11.691 2.917 -0.228 1.00 0.00 C ATOM 70 O GLN A 6 -10.893 3.585 0.430 1.00 0.00 O ATOM 71 CB GLN A 6 -12.823 1.143 1.131 1.00 0.00 C ATOM 72 CG GLN A 6 -12.218 0.037 0.280 1.00 0.00 C ATOM 73 CD GLN A 6 -12.377 -1.334 0.906 1.00 0.00 C ATOM 74 OE1 GLN A 6 -13.492 -1.824 1.081 1.00 0.00 O ATOM 75 NE2 GLN A 6 -11.257 -1.961 1.249 1.00 0.00 N ATOM 0 H GLN A 6 -14.547 1.424 -0.613 1.00 0.00 H new ATOM 0 HA GLN A 6 -13.348 3.228 1.080 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -12.181 1.317 1.994 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -13.787 0.809 1.513 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -12.690 0.040 -0.703 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.158 0.241 0.126 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -10.353 -1.517 1.085 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -11.301 -2.886 1.676 1.00 0.00 H new ATOM 84 N GLN A 7 -11.462 2.551 -1.485 1.00 0.00 N ATOM 85 CA GLN A 7 -10.232 2.925 -2.178 1.00 0.00 C ATOM 86 C GLN A 7 -10.205 4.422 -2.468 1.00 0.00 C ATOM 87 O GLN A 7 -9.137 5.021 -2.598 1.00 0.00 O ATOM 88 CB GLN A 7 -10.097 2.143 -3.485 1.00 0.00 C ATOM 89 CG GLN A 7 -10.353 0.652 -3.334 1.00 0.00 C ATOM 90 CD GLN A 7 -11.157 0.080 -4.486 1.00 0.00 C ATOM 91 OE1 GLN A 7 -10.598 -0.455 -5.444 1.00 0.00 O ATOM 92 NE2 GLN A 7 -12.477 0.191 -4.398 1.00 0.00 N ATOM 0 H GLN A 7 -12.110 1.997 -2.045 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.392 2.681 -1.527 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.796 2.550 -4.216 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.094 2.292 -3.885 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.400 0.128 -3.266 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -10.884 0.471 -2.400 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -12.898 0.642 -3.586 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -13.070 -0.175 -5.143 1.00 0.00 H new ATOM 101 N ALA A 8 -11.386 5.020 -2.566 1.00 0.00 N ATOM 102 CA ALA A 8 -11.501 6.446 -2.841 1.00 0.00 C ATOM 103 C ALA A 8 -11.326 7.260 -1.566 1.00 0.00 C ATOM 104 O ALA A 8 -10.538 8.204 -1.525 1.00 0.00 O ATOM 105 CB ALA A 8 -12.841 6.754 -3.491 1.00 0.00 C ATOM 0 H ALA A 8 -12.279 4.538 -2.459 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.707 6.725 -3.533 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.912 7.823 -3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.926 6.204 -4.428 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.647 6.456 -2.821 1.00 0.00 H new ATOM 111 N GLU A 9 -12.058 6.883 -0.520 1.00 0.00 N ATOM 112 CA GLU A 9 -11.967 7.577 0.759 1.00 0.00 C ATOM 113 C GLU A 9 -10.521 7.589 1.236 1.00 0.00 C ATOM 114 O GLU A 9 -10.047 8.570 1.807 1.00 0.00 O ATOM 115 CB GLU A 9 -12.860 6.903 1.802 1.00 0.00 C ATOM 116 CG GLU A 9 -14.291 6.695 1.335 1.00 0.00 C ATOM 117 CD GLU A 9 -15.253 7.695 1.946 1.00 0.00 C ATOM 118 OE1 GLU A 9 -15.061 8.911 1.732 1.00 0.00 O ATOM 119 OE2 GLU A 9 -16.199 7.262 2.637 1.00 0.00 O ATOM 0 H GLU A 9 -12.717 6.105 -0.534 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.310 8.603 0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.429 5.937 2.067 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.867 7.509 2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.330 6.775 0.249 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.610 5.685 1.592 1.00 0.00 H new ATOM 126 N ALA A 10 -9.826 6.486 0.976 1.00 0.00 N ATOM 127 CA ALA A 10 -8.427 6.340 1.349 1.00 0.00 C ATOM 128 C ALA A 10 -7.626 7.585 0.982 1.00 0.00 C ATOM 129 O ALA A 10 -6.999 8.210 1.839 1.00 0.00 O ATOM 130 CB ALA A 10 -7.848 5.121 0.653 1.00 0.00 C ATOM 0 H ALA A 10 -10.217 5.672 0.502 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.365 6.211 2.430 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.800 5.008 0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.401 4.232 0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.927 5.247 -0.427 1.00 0.00 H new ATOM 136 N ARG A 11 -7.654 7.941 -0.299 1.00 0.00 N ATOM 137 CA ARG A 11 -6.936 9.113 -0.787 1.00 0.00 C ATOM 138 C ARG A 11 -7.290 10.352 0.031 1.00 0.00 C ATOM 139 O ARG A 11 -6.488 11.277 0.156 1.00 0.00 O ATOM 140 CB ARG A 11 -7.261 9.354 -2.264 1.00 0.00 C ATOM 141 CG ARG A 11 -6.057 9.783 -3.088 1.00 0.00 C ATOM 142 CD ARG A 11 -6.032 9.093 -4.442 1.00 0.00 C ATOM 143 NE ARG A 11 -6.804 9.826 -5.443 1.00 0.00 N ATOM 144 CZ ARG A 11 -6.467 11.026 -5.908 1.00 0.00 C ATOM 145 NH1 ARG A 11 -5.373 11.633 -5.466 1.00 0.00 N ATOM 146 NH2 ARG A 11 -7.226 11.622 -6.817 1.00 0.00 N ATOM 0 H ARG A 11 -8.168 7.433 -1.019 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.868 8.924 -0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.676 8.441 -2.690 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.033 10.120 -2.338 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.079 10.864 -3.230 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.141 9.551 -2.544 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.000 8.995 -4.780 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.432 8.084 -4.342 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.652 9.392 -5.807 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.786 11.180 -4.766 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.119 12.553 -5.826 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.069 11.160 -7.160 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.967 12.542 -7.173 1.00 0.00 H new ATOM 160 N ALA A 12 -8.496 10.358 0.590 1.00 0.00 N ATOM 161 CA ALA A 12 -8.958 11.477 1.400 1.00 0.00 C ATOM 162 C ALA A 12 -8.689 11.235 2.884 1.00 0.00 C ATOM 163 O ALA A 12 -8.666 12.174 3.679 1.00 0.00 O ATOM 164 CB ALA A 12 -10.442 11.718 1.165 1.00 0.00 C ATOM 0 H ALA A 12 -9.171 9.599 0.496 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.401 12.364 1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.776 12.557 1.776 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.611 11.946 0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -11.003 10.824 1.438 1.00 0.00 H new ATOM 170 N PHE A 13 -8.490 9.971 3.251 1.00 0.00 N ATOM 171 CA PHE A 13 -8.227 9.614 4.641 1.00 0.00 C ATOM 172 C PHE A 13 -6.803 9.987 5.048 1.00 0.00 C ATOM 173 O PHE A 13 -6.494 10.083 6.236 1.00 0.00 O ATOM 174 CB PHE A 13 -8.452 8.117 4.854 1.00 0.00 C ATOM 175 CG PHE A 13 -9.887 7.759 5.117 1.00 0.00 C ATOM 176 CD1 PHE A 13 -10.636 8.474 6.037 1.00 0.00 C ATOM 177 CD2 PHE A 13 -10.487 6.707 4.443 1.00 0.00 C ATOM 178 CE1 PHE A 13 -11.957 8.147 6.281 1.00 0.00 C ATOM 179 CE2 PHE A 13 -11.806 6.375 4.682 1.00 0.00 C ATOM 180 CZ PHE A 13 -12.542 7.096 5.602 1.00 0.00 C ATOM 0 H PHE A 13 -8.506 9.180 2.607 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.920 10.176 5.267 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.106 7.577 3.973 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.842 7.782 5.693 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -10.183 9.297 6.570 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -9.916 6.140 3.722 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -12.530 8.712 7.001 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -12.261 5.553 4.150 1.00 0.00 H new ATOM 0 HZ PHE A 13 -13.574 6.838 5.790 1.00 0.00 H new ATOM 190 N LEU A 14 -5.936 10.192 4.060 1.00 0.00 N ATOM 191 CA LEU A 14 -4.547 10.548 4.326 1.00 0.00 C ATOM 192 C LEU A 14 -4.194 11.887 3.688 1.00 0.00 C ATOM 193 O LEU A 14 -4.946 12.416 2.871 1.00 0.00 O ATOM 194 CB LEU A 14 -3.612 9.457 3.800 1.00 0.00 C ATOM 195 CG LEU A 14 -4.100 8.023 4.028 1.00 0.00 C ATOM 196 CD1 LEU A 14 -4.064 7.232 2.730 1.00 0.00 C ATOM 197 CD2 LEU A 14 -3.260 7.339 5.095 1.00 0.00 C ATOM 0 H LEU A 14 -6.171 10.118 3.070 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.422 10.638 5.405 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.465 9.609 2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.638 9.574 4.275 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.133 8.062 4.375 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.414 6.216 2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.709 7.711 1.994 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.042 7.201 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.620 6.321 5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.218 7.312 4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.339 7.893 6.031 1.00 0.00 H new ATOM 209 N SER A 15 -3.040 12.427 4.066 1.00 0.00 N ATOM 210 CA SER A 15 -2.578 13.702 3.532 1.00 0.00 C ATOM 211 C SER A 15 -1.792 13.494 2.244 1.00 0.00 C ATOM 212 O SER A 15 -1.325 12.390 1.964 1.00 0.00 O ATOM 213 CB SER A 15 -1.699 14.421 4.558 1.00 0.00 C ATOM 214 OG SER A 15 -2.011 14.005 5.876 1.00 0.00 O ATOM 0 H SER A 15 -2.407 12.000 4.742 1.00 0.00 H new ATOM 0 HA SER A 15 -3.453 14.315 3.316 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.649 14.218 4.348 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.839 15.498 4.470 1.00 0.00 H new ATOM 0 HG SER A 15 -1.435 14.477 6.513 1.00 0.00 H new ATOM 220 N GLU A 16 -1.633 14.563 1.467 1.00 0.00 N ATOM 221 CA GLU A 16 -0.884 14.486 0.217 1.00 0.00 C ATOM 222 C GLU A 16 0.471 13.825 0.454 1.00 0.00 C ATOM 223 O GLU A 16 1.038 13.199 -0.441 1.00 0.00 O ATOM 224 CB GLU A 16 -0.692 15.885 -0.377 1.00 0.00 C ATOM 225 CG GLU A 16 -0.971 15.954 -1.870 1.00 0.00 C ATOM 226 CD GLU A 16 0.237 16.404 -2.671 1.00 0.00 C ATOM 227 OE1 GLU A 16 1.291 15.741 -2.577 1.00 0.00 O ATOM 228 OE2 GLU A 16 0.128 17.418 -3.390 1.00 0.00 O ATOM 0 H GLU A 16 -2.010 15.487 1.680 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.451 13.882 -0.491 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.350 16.584 0.140 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.331 16.213 -0.191 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.290 14.973 -2.222 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.798 16.641 -2.050 1.00 0.00 H new ATOM 235 N GLU A 17 0.973 13.967 1.677 1.00 0.00 N ATOM 236 CA GLU A 17 2.251 13.383 2.059 1.00 0.00 C ATOM 237 C GLU A 17 2.218 11.866 1.903 1.00 0.00 C ATOM 238 O GLU A 17 3.030 11.288 1.181 1.00 0.00 O ATOM 239 CB GLU A 17 2.576 13.751 3.509 1.00 0.00 C ATOM 240 CG GLU A 17 3.460 14.981 3.641 1.00 0.00 C ATOM 241 CD GLU A 17 4.815 14.797 2.986 1.00 0.00 C ATOM 242 OE1 GLU A 17 4.933 15.078 1.775 1.00 0.00 O ATOM 243 OE2 GLU A 17 5.758 14.372 3.686 1.00 0.00 O ATOM 0 H GLU A 17 0.510 14.485 2.423 1.00 0.00 H new ATOM 0 HA GLU A 17 3.025 13.781 1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.645 13.923 4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.070 12.906 3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.956 15.836 3.191 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.599 15.212 4.697 1.00 0.00 H new ATOM 250 N MET A 18 1.269 11.230 2.584 1.00 0.00 N ATOM 251 CA MET A 18 1.121 9.779 2.524 1.00 0.00 C ATOM 252 C MET A 18 0.912 9.304 1.086 1.00 0.00 C ATOM 253 O MET A 18 1.147 8.138 0.769 1.00 0.00 O ATOM 254 CB MET A 18 -0.054 9.334 3.402 1.00 0.00 C ATOM 255 CG MET A 18 0.241 8.101 4.243 1.00 0.00 C ATOM 256 SD MET A 18 1.209 8.476 5.720 1.00 0.00 S ATOM 257 CE MET A 18 0.817 7.068 6.756 1.00 0.00 C ATOM 0 H MET A 18 0.590 11.697 3.185 1.00 0.00 H new ATOM 0 HA MET A 18 2.040 9.329 2.899 1.00 0.00 H new ATOM 0 HB2 MET A 18 -0.333 10.155 4.063 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.915 9.131 2.765 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.699 7.635 4.539 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.780 7.373 3.636 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.589 6.949 7.516 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.147 7.229 7.239 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.770 6.168 6.144 1.00 0.00 H new ATOM 267 N ILE A 19 0.474 10.214 0.218 1.00 0.00 N ATOM 268 CA ILE A 19 0.240 9.883 -1.184 1.00 0.00 C ATOM 269 C ILE A 19 1.547 9.900 -1.970 1.00 0.00 C ATOM 270 O ILE A 19 1.963 8.885 -2.528 1.00 0.00 O ATOM 271 CB ILE A 19 -0.757 10.870 -1.834 1.00 0.00 C ATOM 272 CG1 ILE A 19 -2.176 10.596 -1.332 1.00 0.00 C ATOM 273 CG2 ILE A 19 -0.699 10.778 -3.354 1.00 0.00 C ATOM 274 CD1 ILE A 19 -3.197 11.589 -1.842 1.00 0.00 C ATOM 0 H ILE A 19 0.275 11.184 0.461 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.186 8.880 -1.213 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.475 11.883 -1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.473 9.592 -1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.177 10.613 -0.242 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.409 11.482 -3.788 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.307 11.021 -3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.954 9.766 -3.667 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.181 11.335 -1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.923 12.592 -1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.224 11.556 -2.931 1.00 0.00 H new ATOM 286 N ALA A 20 2.187 11.064 -2.009 1.00 0.00 N ATOM 287 CA ALA A 20 3.446 11.225 -2.726 1.00 0.00 C ATOM 288 C ALA A 20 4.435 10.119 -2.364 1.00 0.00 C ATOM 289 O ALA A 20 5.299 9.758 -3.162 1.00 0.00 O ATOM 290 CB ALA A 20 4.038 12.592 -2.429 1.00 0.00 C ATOM 0 H ALA A 20 1.853 11.912 -1.551 1.00 0.00 H new ATOM 0 HA ALA A 20 3.245 11.150 -3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.979 12.706 -2.968 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.341 13.367 -2.747 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.220 12.685 -1.358 1.00 0.00 H new ATOM 296 N GLU A 21 4.288 9.576 -1.160 1.00 0.00 N ATOM 297 CA GLU A 21 5.148 8.501 -0.693 1.00 0.00 C ATOM 298 C GLU A 21 4.562 7.154 -1.101 1.00 0.00 C ATOM 299 O GLU A 21 5.291 6.197 -1.359 1.00 0.00 O ATOM 300 CB GLU A 21 5.310 8.569 0.828 1.00 0.00 C ATOM 301 CG GLU A 21 5.690 9.950 1.341 1.00 0.00 C ATOM 302 CD GLU A 21 5.391 10.126 2.817 1.00 0.00 C ATOM 303 OE1 GLU A 21 4.225 10.418 3.156 1.00 0.00 O ATOM 304 OE2 GLU A 21 6.324 9.973 3.634 1.00 0.00 O ATOM 0 H GLU A 21 3.577 9.866 -0.489 1.00 0.00 H new ATOM 0 HA GLU A 21 6.131 8.614 -1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.376 8.261 1.298 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.073 7.854 1.136 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.753 10.119 1.167 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.150 10.706 0.772 1.00 0.00 H new ATOM 311 N PHE A 22 3.235 7.099 -1.171 1.00 0.00 N ATOM 312 CA PHE A 22 2.535 5.882 -1.565 1.00 0.00 C ATOM 313 C PHE A 22 2.961 5.462 -2.966 1.00 0.00 C ATOM 314 O PHE A 22 3.052 4.273 -3.273 1.00 0.00 O ATOM 315 CB PHE A 22 1.021 6.112 -1.532 1.00 0.00 C ATOM 316 CG PHE A 22 0.331 5.446 -0.378 1.00 0.00 C ATOM 317 CD1 PHE A 22 0.657 4.150 -0.012 1.00 0.00 C ATOM 318 CD2 PHE A 22 -0.650 6.113 0.337 1.00 0.00 C ATOM 319 CE1 PHE A 22 0.019 3.534 1.046 1.00 0.00 C ATOM 320 CE2 PHE A 22 -1.290 5.503 1.396 1.00 0.00 C ATOM 321 CZ PHE A 22 -0.955 4.211 1.751 1.00 0.00 C ATOM 0 H PHE A 22 2.622 7.886 -0.959 1.00 0.00 H new ATOM 0 HA PHE A 22 2.791 5.089 -0.863 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.827 7.184 -1.490 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.587 5.746 -2.463 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.419 3.616 -0.561 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.917 7.123 0.062 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.282 2.523 1.322 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.052 6.035 1.947 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.455 3.731 2.579 1.00 0.00 H new ATOM 331 N LYS A 23 3.226 6.453 -3.809 1.00 0.00 N ATOM 332 CA LYS A 23 3.649 6.204 -5.180 1.00 0.00 C ATOM 333 C LYS A 23 5.109 5.759 -5.229 1.00 0.00 C ATOM 334 O LYS A 23 5.577 5.245 -6.245 1.00 0.00 O ATOM 335 CB LYS A 23 3.457 7.465 -6.025 1.00 0.00 C ATOM 336 CG LYS A 23 3.809 7.272 -7.491 1.00 0.00 C ATOM 337 CD LYS A 23 5.251 7.665 -7.775 1.00 0.00 C ATOM 338 CE LYS A 23 5.363 8.497 -9.043 1.00 0.00 C ATOM 339 NZ LYS A 23 5.514 9.947 -8.743 1.00 0.00 N ATOM 0 H LYS A 23 3.155 7.441 -3.565 1.00 0.00 H new ATOM 0 HA LYS A 23 3.033 5.402 -5.587 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.419 7.790 -5.948 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.072 8.265 -5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.653 6.230 -7.769 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.139 7.870 -8.109 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.648 8.230 -6.932 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.861 6.767 -7.873 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.218 8.156 -9.627 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.476 8.344 -9.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.587 10.480 -9.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.686 10.279 -8.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.374 10.097 -8.178 1.00 0.00 H new ATOM 353 N ALA A 24 5.827 5.966 -4.125 1.00 0.00 N ATOM 354 CA ALA A 24 7.237 5.592 -4.037 1.00 0.00 C ATOM 355 C ALA A 24 7.502 4.197 -4.599 1.00 0.00 C ATOM 356 O ALA A 24 8.052 4.048 -5.690 1.00 0.00 O ATOM 357 CB ALA A 24 7.704 5.662 -2.592 1.00 0.00 C ATOM 0 H ALA A 24 5.453 6.392 -3.277 1.00 0.00 H new ATOM 0 HA ALA A 24 7.799 6.302 -4.644 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.756 5.382 -2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.579 6.678 -2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.113 4.976 -1.985 1.00 0.00 H new ATOM 363 N ALA A 25 7.125 3.177 -3.833 1.00 0.00 N ATOM 364 CA ALA A 25 7.338 1.791 -4.235 1.00 0.00 C ATOM 365 C ALA A 25 6.411 1.365 -5.375 1.00 0.00 C ATOM 366 O ALA A 25 6.522 0.251 -5.885 1.00 0.00 O ATOM 367 CB ALA A 25 7.153 0.872 -3.037 1.00 0.00 C ATOM 0 H ALA A 25 6.669 3.286 -2.927 1.00 0.00 H new ATOM 0 HA ALA A 25 8.360 1.712 -4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.313 -0.162 -3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.872 1.136 -2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.141 0.982 -2.647 1.00 0.00 H new ATOM 373 N PHE A 26 5.495 2.246 -5.772 1.00 0.00 N ATOM 374 CA PHE A 26 4.554 1.941 -6.849 1.00 0.00 C ATOM 375 C PHE A 26 5.261 1.325 -8.056 1.00 0.00 C ATOM 376 O PHE A 26 4.663 0.556 -8.810 1.00 0.00 O ATOM 377 CB PHE A 26 3.810 3.205 -7.275 1.00 0.00 C ATOM 378 CG PHE A 26 2.383 2.956 -7.674 1.00 0.00 C ATOM 379 CD1 PHE A 26 1.384 2.892 -6.716 1.00 0.00 C ATOM 380 CD2 PHE A 26 2.042 2.785 -9.005 1.00 0.00 C ATOM 381 CE1 PHE A 26 0.071 2.663 -7.079 1.00 0.00 C ATOM 382 CE2 PHE A 26 0.730 2.555 -9.375 1.00 0.00 C ATOM 383 CZ PHE A 26 -0.256 2.494 -8.411 1.00 0.00 C ATOM 0 H PHE A 26 5.384 3.175 -5.365 1.00 0.00 H new ATOM 0 HA PHE A 26 3.841 1.211 -6.466 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.829 3.922 -6.454 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.338 3.663 -8.111 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.635 3.023 -5.674 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.810 2.832 -9.763 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.699 2.616 -6.323 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.477 2.423 -10.417 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.282 2.314 -8.697 1.00 0.00 H new ATOM 393 N ASP A 27 6.531 1.669 -8.238 1.00 0.00 N ATOM 394 CA ASP A 27 7.310 1.150 -9.358 1.00 0.00 C ATOM 395 C ASP A 27 7.948 -0.192 -9.012 1.00 0.00 C ATOM 396 O ASP A 27 7.734 -1.188 -9.703 1.00 0.00 O ATOM 397 CB ASP A 27 8.391 2.153 -9.763 1.00 0.00 C ATOM 398 CG ASP A 27 7.810 3.422 -10.355 1.00 0.00 C ATOM 399 OD1 ASP A 27 6.777 3.900 -9.839 1.00 0.00 O ATOM 400 OD2 ASP A 27 8.388 3.939 -11.334 1.00 0.00 O ATOM 0 H ASP A 27 7.043 2.304 -7.626 1.00 0.00 H new ATOM 0 HA ASP A 27 6.630 0.998 -10.196 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.994 2.405 -8.891 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.059 1.690 -10.489 1.00 0.00 H new ATOM 405 N MET A 28 8.734 -0.211 -7.940 1.00 0.00 N ATOM 406 CA MET A 28 9.407 -1.431 -7.506 1.00 0.00 C ATOM 407 C MET A 28 8.401 -2.543 -7.218 1.00 0.00 C ATOM 408 O MET A 28 8.673 -3.718 -7.464 1.00 0.00 O ATOM 409 CB MET A 28 10.252 -1.156 -6.260 1.00 0.00 C ATOM 410 CG MET A 28 11.506 -0.344 -6.545 1.00 0.00 C ATOM 411 SD MET A 28 13.019 -1.309 -6.355 1.00 0.00 S ATOM 412 CE MET A 28 14.260 -0.059 -6.682 1.00 0.00 C ATOM 0 H MET A 28 8.921 0.604 -7.356 1.00 0.00 H new ATOM 0 HA MET A 28 10.058 -1.761 -8.315 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.644 -0.625 -5.528 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.538 -2.106 -5.808 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.456 0.050 -7.560 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.540 0.513 -5.872 1.00 0.00 H new ATOM 0 HE1 MET A 28 15.104 -0.512 -7.202 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.830 0.727 -7.303 1.00 0.00 H new ATOM 0 HE3 MET A 28 14.602 0.370 -5.740 1.00 0.00 H new ATOM 422 N PHE A 29 7.239 -2.164 -6.695 1.00 0.00 N ATOM 423 CA PHE A 29 6.190 -3.129 -6.373 1.00 0.00 C ATOM 424 C PHE A 29 5.841 -3.982 -7.589 1.00 0.00 C ATOM 425 O PHE A 29 6.222 -5.150 -7.672 1.00 0.00 O ATOM 426 CB PHE A 29 4.940 -2.403 -5.874 1.00 0.00 C ATOM 427 CG PHE A 29 4.781 -2.433 -4.381 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.400 -3.596 -3.735 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.009 -1.295 -3.624 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.250 -3.624 -2.362 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.862 -1.317 -2.252 1.00 0.00 C ATOM 432 CZ PHE A 29 4.482 -2.483 -1.619 1.00 0.00 C ATOM 0 H PHE A 29 6.999 -1.195 -6.485 1.00 0.00 H new ATOM 0 HA PHE A 29 6.564 -3.785 -5.587 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.976 -1.365 -6.206 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.061 -2.854 -6.333 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.218 -4.492 -4.311 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.305 -0.379 -4.114 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.951 -4.538 -1.870 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.044 -0.423 -1.674 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.366 -2.503 -0.545 1.00 0.00 H new ATOM 442 N ASP A 30 5.112 -3.390 -8.531 1.00 0.00 N ATOM 443 CA ASP A 30 4.707 -4.093 -9.741 1.00 0.00 C ATOM 444 C ASP A 30 5.920 -4.606 -10.507 1.00 0.00 C ATOM 445 O ASP A 30 6.770 -3.830 -10.942 1.00 0.00 O ATOM 446 CB ASP A 30 3.878 -3.175 -10.639 1.00 0.00 C ATOM 447 CG ASP A 30 2.479 -2.948 -10.101 1.00 0.00 C ATOM 448 OD1 ASP A 30 1.715 -3.932 -10.001 1.00 0.00 O ATOM 449 OD2 ASP A 30 2.147 -1.788 -9.778 1.00 0.00 O ATOM 0 H ASP A 30 4.790 -2.424 -8.478 1.00 0.00 H new ATOM 0 HA ASP A 30 4.098 -4.947 -9.444 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.385 -2.216 -10.740 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.814 -3.609 -11.637 1.00 0.00 H new ATOM 454 N ALA A 31 5.991 -5.922 -10.668 1.00 0.00 N ATOM 455 CA ALA A 31 7.096 -6.548 -11.383 1.00 0.00 C ATOM 456 C ALA A 31 6.793 -6.641 -12.874 1.00 0.00 C ATOM 457 O ALA A 31 7.599 -6.230 -13.710 1.00 0.00 O ATOM 458 CB ALA A 31 7.375 -7.930 -10.813 1.00 0.00 C ATOM 0 H ALA A 31 5.295 -6.577 -10.312 1.00 0.00 H new ATOM 0 HA ALA A 31 7.983 -5.928 -11.254 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.202 -8.387 -11.356 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.637 -7.843 -9.759 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.486 -8.552 -10.916 1.00 0.00 H new ATOM 464 N ASP A 32 5.624 -7.181 -13.199 1.00 0.00 N ATOM 465 CA ASP A 32 5.207 -7.327 -14.588 1.00 0.00 C ATOM 466 C ASP A 32 4.466 -6.081 -15.063 1.00 0.00 C ATOM 467 O ASP A 32 4.497 -5.740 -16.245 1.00 0.00 O ATOM 468 CB ASP A 32 4.311 -8.558 -14.745 1.00 0.00 C ATOM 469 CG ASP A 32 3.088 -8.500 -13.852 1.00 0.00 C ATOM 470 OD1 ASP A 32 3.132 -7.784 -12.829 1.00 0.00 O ATOM 471 OD2 ASP A 32 2.084 -9.169 -14.177 1.00 0.00 O ATOM 0 H ASP A 32 4.947 -7.525 -12.518 1.00 0.00 H new ATOM 0 HA ASP A 32 6.099 -7.455 -15.201 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.995 -8.644 -15.785 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.886 -9.454 -14.512 1.00 0.00 H new ATOM 476 N GLY A 33 3.800 -5.405 -14.131 1.00 0.00 N ATOM 477 CA GLY A 33 3.061 -4.204 -14.471 1.00 0.00 C ATOM 478 C GLY A 33 1.753 -4.505 -15.174 1.00 0.00 C ATOM 479 O GLY A 33 1.491 -3.989 -16.260 1.00 0.00 O ATOM 0 H GLY A 33 3.760 -5.668 -13.146 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.859 -3.637 -13.563 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.676 -3.572 -15.111 1.00 0.00 H new ATOM 483 N GLY A 34 0.927 -5.341 -14.553 1.00 0.00 N ATOM 484 CA GLY A 34 -0.352 -5.693 -15.141 1.00 0.00 C ATOM 485 C GLY A 34 -1.102 -6.730 -14.328 1.00 0.00 C ATOM 486 O GLY A 34 -1.750 -7.615 -14.886 1.00 0.00 O ATOM 0 H GLY A 34 1.121 -5.781 -13.653 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.965 -4.796 -15.233 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.191 -6.074 -16.150 1.00 0.00 H new ATOM 490 N GLY A 35 -1.015 -6.621 -13.006 1.00 0.00 N ATOM 491 CA GLY A 35 -1.698 -7.565 -12.140 1.00 0.00 C ATOM 492 C GLY A 35 -1.751 -7.101 -10.697 1.00 0.00 C ATOM 493 O GLY A 35 -1.789 -7.919 -9.778 1.00 0.00 O ATOM 0 H GLY A 35 -0.485 -5.898 -12.520 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.713 -7.719 -12.506 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.192 -8.529 -12.189 1.00 0.00 H new ATOM 497 N ASP A 36 -1.754 -5.786 -10.496 1.00 0.00 N ATOM 498 CA ASP A 36 -1.804 -5.217 -9.152 1.00 0.00 C ATOM 499 C ASP A 36 -0.707 -5.801 -8.267 1.00 0.00 C ATOM 500 O ASP A 36 0.146 -6.555 -8.735 1.00 0.00 O ATOM 501 CB ASP A 36 -3.173 -5.472 -8.520 1.00 0.00 C ATOM 502 CG ASP A 36 -4.274 -4.662 -9.176 1.00 0.00 C ATOM 503 OD1 ASP A 36 -3.951 -3.712 -9.920 1.00 0.00 O ATOM 504 OD2 ASP A 36 -5.460 -4.979 -8.947 1.00 0.00 O ATOM 0 H ASP A 36 -1.722 -5.095 -11.246 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.642 -4.142 -9.236 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.413 -6.533 -8.595 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.131 -5.229 -7.458 1.00 0.00 H new ATOM 509 N ILE A 37 -0.739 -5.448 -6.988 1.00 0.00 N ATOM 510 CA ILE A 37 0.247 -5.935 -6.035 1.00 0.00 C ATOM 511 C ILE A 37 -0.280 -7.147 -5.270 1.00 0.00 C ATOM 512 O ILE A 37 -1.360 -7.102 -4.681 1.00 0.00 O ATOM 513 CB ILE A 37 0.641 -4.825 -5.038 1.00 0.00 C ATOM 514 CG1 ILE A 37 1.392 -3.709 -5.764 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.485 -5.383 -3.903 1.00 0.00 C ATOM 516 CD1 ILE A 37 1.722 -2.531 -4.877 1.00 0.00 C ATOM 0 H ILE A 37 -1.440 -4.824 -6.587 1.00 0.00 H new ATOM 0 HA ILE A 37 1.129 -6.234 -6.601 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.271 -4.414 -4.606 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.316 -4.113 -6.178 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.790 -3.364 -6.605 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.748 -4.579 -3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.918 -6.146 -3.369 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.395 -5.825 -4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.254 -1.777 -5.457 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.800 -2.102 -4.484 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.350 -2.863 -4.050 1.00 0.00 H new ATOM 528 N SER A 38 0.496 -8.226 -5.281 1.00 0.00 N ATOM 529 CA SER A 38 0.115 -9.450 -4.588 1.00 0.00 C ATOM 530 C SER A 38 0.955 -9.641 -3.326 1.00 0.00 C ATOM 531 O SER A 38 1.603 -8.706 -2.856 1.00 0.00 O ATOM 532 CB SER A 38 0.280 -10.657 -5.515 1.00 0.00 C ATOM 533 OG SER A 38 0.213 -10.266 -6.876 1.00 0.00 O ATOM 0 H SER A 38 1.393 -8.277 -5.763 1.00 0.00 H new ATOM 0 HA SER A 38 -0.932 -9.366 -4.297 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.236 -11.142 -5.319 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.499 -11.390 -5.305 1.00 0.00 H new ATOM 0 HG SER A 38 0.323 -11.054 -7.448 1.00 0.00 H new ATOM 539 N THR A 39 0.936 -10.853 -2.781 1.00 0.00 N ATOM 540 CA THR A 39 1.694 -11.160 -1.574 1.00 0.00 C ATOM 541 C THR A 39 3.196 -11.095 -1.837 1.00 0.00 C ATOM 542 O THR A 39 3.954 -10.551 -1.034 1.00 0.00 O ATOM 543 CB THR A 39 1.319 -12.548 -1.050 1.00 0.00 C ATOM 544 OG1 THR A 39 1.509 -13.530 -2.053 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.117 -12.643 -0.581 1.00 0.00 C ATOM 0 H THR A 39 0.404 -11.638 -3.156 1.00 0.00 H new ATOM 0 HA THR A 39 1.443 -10.412 -0.822 1.00 0.00 H new ATOM 0 HB THR A 39 1.975 -12.722 -0.197 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.119 -14.379 -1.757 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.317 -13.653 -0.222 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.284 -11.931 0.227 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.786 -12.414 -1.410 1.00 0.00 H new ATOM 553 N LYS A 40 3.619 -11.656 -2.965 1.00 0.00 N ATOM 554 CA LYS A 40 5.031 -11.666 -3.332 1.00 0.00 C ATOM 555 C LYS A 40 5.534 -10.255 -3.626 1.00 0.00 C ATOM 556 O LYS A 40 6.638 -9.883 -3.228 1.00 0.00 O ATOM 557 CB LYS A 40 5.256 -12.561 -4.552 1.00 0.00 C ATOM 558 CG LYS A 40 5.190 -14.046 -4.237 1.00 0.00 C ATOM 559 CD LYS A 40 5.657 -14.886 -5.415 1.00 0.00 C ATOM 560 CE LYS A 40 4.502 -15.252 -6.332 1.00 0.00 C ATOM 561 NZ LYS A 40 4.908 -15.256 -7.764 1.00 0.00 N ATOM 0 H LYS A 40 3.004 -12.110 -3.641 1.00 0.00 H new ATOM 0 HA LYS A 40 5.593 -12.062 -2.486 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.508 -12.325 -5.308 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.230 -12.333 -4.985 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.809 -14.262 -3.366 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.167 -14.319 -3.977 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.410 -14.336 -5.979 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.134 -15.795 -5.048 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.121 -16.236 -6.060 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.686 -14.544 -6.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.091 -15.510 -8.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.248 -14.310 -8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.669 -15.950 -7.907 1.00 0.00 H new ATOM 575 N GLU A 41 4.719 -9.476 -4.329 1.00 0.00 N ATOM 576 CA GLU A 41 5.082 -8.107 -4.681 1.00 0.00 C ATOM 577 C GLU A 41 5.388 -7.275 -3.438 1.00 0.00 C ATOM 578 O GLU A 41 6.089 -6.266 -3.516 1.00 0.00 O ATOM 579 CB GLU A 41 3.957 -7.450 -5.482 1.00 0.00 C ATOM 580 CG GLU A 41 3.801 -8.017 -6.885 1.00 0.00 C ATOM 581 CD GLU A 41 3.740 -6.939 -7.949 1.00 0.00 C ATOM 582 OE1 GLU A 41 3.035 -5.931 -7.735 1.00 0.00 O ATOM 583 OE2 GLU A 41 4.399 -7.104 -8.998 1.00 0.00 O ATOM 0 H GLU A 41 3.802 -9.769 -4.667 1.00 0.00 H new ATOM 0 HA GLU A 41 5.983 -8.149 -5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.018 -7.573 -4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.148 -6.379 -5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.636 -8.684 -7.097 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.893 -8.618 -6.930 1.00 0.00 H new ATOM 590 N LEU A 42 4.859 -7.699 -2.294 1.00 0.00 N ATOM 591 CA LEU A 42 5.081 -6.980 -1.043 1.00 0.00 C ATOM 592 C LEU A 42 6.430 -7.346 -0.433 1.00 0.00 C ATOM 593 O LEU A 42 7.289 -6.486 -0.244 1.00 0.00 O ATOM 594 CB LEU A 42 3.958 -7.279 -0.046 1.00 0.00 C ATOM 595 CG LEU A 42 2.963 -6.137 0.179 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.687 -4.856 0.577 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.120 -5.915 -1.066 1.00 0.00 C ATOM 0 H LEU A 42 4.277 -8.532 -2.207 1.00 0.00 H new ATOM 0 HA LEU A 42 5.082 -5.913 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.409 -8.154 -0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.406 -7.543 0.912 1.00 0.00 H new ATOM 0 HG LEU A 42 2.301 -6.417 0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.959 -4.060 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.242 -5.024 1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.378 -4.568 -0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.418 -5.100 -0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.769 -5.660 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.568 -6.826 -1.299 1.00 0.00 H new ATOM 609 N GLY A 43 6.607 -8.628 -0.125 1.00 0.00 N ATOM 610 CA GLY A 43 7.852 -9.090 0.466 1.00 0.00 C ATOM 611 C GLY A 43 9.080 -8.547 -0.241 1.00 0.00 C ATOM 612 O GLY A 43 10.141 -8.414 0.363 1.00 0.00 O ATOM 0 H GLY A 43 5.909 -9.357 -0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.882 -8.794 1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.877 -10.179 0.442 1.00 0.00 H new ATOM 616 N THR A 44 8.936 -8.235 -1.524 1.00 0.00 N ATOM 617 CA THR A 44 10.043 -7.707 -2.312 1.00 0.00 C ATOM 618 C THR A 44 10.483 -6.334 -1.796 1.00 0.00 C ATOM 619 O THR A 44 11.474 -6.215 -1.076 1.00 0.00 O ATOM 620 CB THR A 44 9.632 -7.614 -3.791 1.00 0.00 C ATOM 621 OG1 THR A 44 9.763 -8.874 -4.426 1.00 0.00 O ATOM 622 CG2 THR A 44 10.440 -6.613 -4.592 1.00 0.00 C ATOM 0 H THR A 44 8.063 -8.339 -2.041 1.00 0.00 H new ATOM 0 HA THR A 44 10.889 -8.388 -2.216 1.00 0.00 H new ATOM 0 HB THR A 44 8.595 -7.278 -3.774 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.496 -8.796 -5.366 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.090 -6.606 -5.624 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.319 -5.619 -4.161 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.493 -6.893 -4.568 1.00 0.00 H new ATOM 630 N VAL A 45 9.743 -5.307 -2.190 1.00 0.00 N ATOM 631 CA VAL A 45 10.041 -3.933 -1.803 1.00 0.00 C ATOM 632 C VAL A 45 10.083 -3.758 -0.285 1.00 0.00 C ATOM 633 O VAL A 45 10.876 -2.973 0.234 1.00 0.00 O ATOM 634 CB VAL A 45 8.989 -2.976 -2.391 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.589 -3.442 -2.020 1.00 0.00 C ATOM 636 CG2 VAL A 45 9.230 -1.543 -1.932 1.00 0.00 C ATOM 0 H VAL A 45 8.920 -5.401 -2.786 1.00 0.00 H new ATOM 0 HA VAL A 45 11.028 -3.697 -2.200 1.00 0.00 H new ATOM 0 HB VAL A 45 9.081 -2.990 -3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.854 -2.757 -2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.422 -4.443 -2.417 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.487 -3.460 -0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.471 -0.890 -2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.174 -1.495 -0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.217 -1.217 -2.259 1.00 0.00 H new ATOM 646 N MET A 46 9.214 -4.471 0.417 1.00 0.00 N ATOM 647 CA MET A 46 9.143 -4.371 1.871 1.00 0.00 C ATOM 648 C MET A 46 10.393 -4.932 2.546 1.00 0.00 C ATOM 649 O MET A 46 10.799 -4.451 3.604 1.00 0.00 O ATOM 650 CB MET A 46 7.897 -5.095 2.384 1.00 0.00 C ATOM 651 CG MET A 46 6.616 -4.297 2.202 1.00 0.00 C ATOM 652 SD MET A 46 5.761 -3.973 3.756 1.00 0.00 S ATOM 653 CE MET A 46 6.388 -2.343 4.159 1.00 0.00 C ATOM 0 H MET A 46 8.548 -5.125 0.006 1.00 0.00 H new ATOM 0 HA MET A 46 9.082 -3.313 2.126 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.800 -6.048 1.864 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.028 -5.322 3.442 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.851 -3.349 1.718 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.948 -4.840 1.533 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.447 -2.233 5.242 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.381 -2.218 3.727 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.718 -1.585 3.754 1.00 0.00 H new ATOM 663 N ARG A 47 10.998 -5.950 1.941 1.00 0.00 N ATOM 664 CA ARG A 47 12.197 -6.565 2.507 1.00 0.00 C ATOM 665 C ARG A 47 13.461 -5.810 2.106 1.00 0.00 C ATOM 666 O ARG A 47 14.460 -5.833 2.824 1.00 0.00 O ATOM 667 CB ARG A 47 12.307 -8.026 2.066 1.00 0.00 C ATOM 668 CG ARG A 47 11.307 -8.945 2.748 1.00 0.00 C ATOM 669 CD ARG A 47 11.236 -10.301 2.065 1.00 0.00 C ATOM 670 NE ARG A 47 12.198 -11.248 2.627 1.00 0.00 N ATOM 671 CZ ARG A 47 13.460 -11.359 2.218 1.00 0.00 C ATOM 672 NH1 ARG A 47 13.924 -10.585 1.244 1.00 0.00 N ATOM 673 NH2 ARG A 47 14.262 -12.249 2.787 1.00 0.00 N ATOM 0 H ARG A 47 10.681 -6.365 1.065 1.00 0.00 H new ATOM 0 HA ARG A 47 12.105 -6.520 3.592 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.163 -8.083 0.987 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.316 -8.384 2.272 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.588 -9.078 3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.321 -8.481 2.739 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.229 -10.705 2.165 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.427 -10.180 0.999 1.00 0.00 H new ATOM 0 HE ARG A 47 11.883 -11.861 3.379 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.312 -9.898 0.803 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.892 -10.677 0.937 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.911 -12.846 3.536 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.229 -12.336 2.476 1.00 0.00 H new ATOM 687 N MET A 48 13.418 -5.149 0.954 1.00 0.00 N ATOM 688 CA MET A 48 14.570 -4.400 0.465 1.00 0.00 C ATOM 689 C MET A 48 14.516 -2.936 0.900 1.00 0.00 C ATOM 690 O MET A 48 15.302 -2.114 0.428 1.00 0.00 O ATOM 691 CB MET A 48 14.651 -4.487 -1.059 1.00 0.00 C ATOM 692 CG MET A 48 13.424 -3.935 -1.766 1.00 0.00 C ATOM 693 SD MET A 48 13.843 -2.879 -3.166 1.00 0.00 S ATOM 694 CE MET A 48 12.499 -1.696 -3.108 1.00 0.00 C ATOM 0 H MET A 48 12.601 -5.117 0.344 1.00 0.00 H new ATOM 0 HA MET A 48 15.463 -4.848 0.901 1.00 0.00 H new ATOM 0 HB2 MET A 48 15.532 -3.943 -1.399 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.789 -5.529 -1.348 1.00 0.00 H new ATOM 0 HG2 MET A 48 12.807 -4.763 -2.113 1.00 0.00 H new ATOM 0 HG3 MET A 48 12.825 -3.367 -1.054 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.754 -0.825 -3.712 1.00 0.00 H new ATOM 0 HE2 MET A 48 11.592 -2.156 -3.500 1.00 0.00 H new ATOM 0 HE3 MET A 48 12.332 -1.386 -2.077 1.00 0.00 H new ATOM 704 N LEU A 49 13.591 -2.610 1.799 1.00 0.00 N ATOM 705 CA LEU A 49 13.453 -1.241 2.284 1.00 0.00 C ATOM 706 C LEU A 49 13.665 -1.168 3.794 1.00 0.00 C ATOM 707 O LEU A 49 14.290 -0.235 4.296 1.00 0.00 O ATOM 708 CB LEU A 49 12.074 -0.683 1.922 1.00 0.00 C ATOM 709 CG LEU A 49 11.933 -0.181 0.483 1.00 0.00 C ATOM 710 CD1 LEU A 49 10.591 0.507 0.289 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.075 0.762 0.128 1.00 0.00 C ATOM 0 H LEU A 49 12.929 -3.272 2.204 1.00 0.00 H new ATOM 0 HA LEU A 49 14.220 -0.636 1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.329 -1.460 2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 49 11.842 0.138 2.601 1.00 0.00 H new ATOM 0 HG LEU A 49 11.980 -1.040 -0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.507 0.858 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.787 -0.198 0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.515 1.356 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.956 1.107 -0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.063 1.618 0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.025 0.236 0.226 1.00 0.00 H new ATOM 723 N GLY A 50 13.141 -2.156 4.512 1.00 0.00 N ATOM 724 CA GLY A 50 13.287 -2.177 5.955 1.00 0.00 C ATOM 725 C GLY A 50 12.319 -3.132 6.626 1.00 0.00 C ATOM 726 O GLY A 50 12.674 -3.807 7.592 1.00 0.00 O ATOM 0 H GLY A 50 12.619 -2.940 4.121 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.308 -2.463 6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.130 -1.172 6.347 1.00 0.00 H new ATOM 730 N GLN A 51 11.095 -3.190 6.113 1.00 0.00 N ATOM 731 CA GLN A 51 10.075 -4.069 6.672 1.00 0.00 C ATOM 732 C GLN A 51 10.434 -5.532 6.431 1.00 0.00 C ATOM 733 O GLN A 51 11.253 -5.846 5.568 1.00 0.00 O ATOM 734 CB GLN A 51 8.709 -3.756 6.057 1.00 0.00 C ATOM 735 CG GLN A 51 7.584 -3.690 7.078 1.00 0.00 C ATOM 736 CD GLN A 51 7.593 -2.399 7.872 1.00 0.00 C ATOM 737 OE1 GLN A 51 8.599 -2.040 8.484 1.00 0.00 O ATOM 738 NE2 GLN A 51 6.469 -1.693 7.865 1.00 0.00 N ATOM 0 H GLN A 51 10.785 -2.639 5.312 1.00 0.00 H new ATOM 0 HA GLN A 51 10.027 -3.896 7.747 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.767 -2.804 5.530 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.471 -4.518 5.315 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.627 -3.791 6.566 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.669 -4.534 7.763 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.659 -2.029 7.344 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.415 -0.815 8.381 1.00 0.00 H new ATOM 747 N ASN A 52 9.818 -6.425 7.199 1.00 0.00 N ATOM 748 CA ASN A 52 10.079 -7.852 7.062 1.00 0.00 C ATOM 749 C ASN A 52 8.813 -8.675 7.296 1.00 0.00 C ATOM 750 O ASN A 52 8.827 -9.649 8.049 1.00 0.00 O ATOM 751 CB ASN A 52 11.169 -8.282 8.043 1.00 0.00 C ATOM 752 CG ASN A 52 12.081 -9.346 7.466 1.00 0.00 C ATOM 753 OD1 ASN A 52 11.728 -10.524 7.418 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.264 -8.934 7.023 1.00 0.00 N ATOM 0 H ASN A 52 9.137 -6.186 7.920 1.00 0.00 H new ATOM 0 HA ASN A 52 10.417 -8.035 6.042 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.763 -7.413 8.325 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.705 -8.660 8.954 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.921 -9.604 6.623 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.515 -7.947 7.082 1.00 0.00 H new ATOM 761 N PRO A 53 7.696 -8.300 6.649 1.00 0.00 N ATOM 762 CA PRO A 53 6.426 -9.016 6.794 1.00 0.00 C ATOM 763 C PRO A 53 6.417 -10.332 6.022 1.00 0.00 C ATOM 764 O PRO A 53 6.354 -10.340 4.793 1.00 0.00 O ATOM 765 CB PRO A 53 5.409 -8.043 6.206 1.00 0.00 C ATOM 766 CG PRO A 53 6.177 -7.275 5.187 1.00 0.00 C ATOM 767 CD PRO A 53 7.578 -7.153 5.726 1.00 0.00 C ATOM 0 HA PRO A 53 6.223 -9.292 7.829 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.569 -8.571 5.755 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.999 -7.386 6.973 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.172 -7.789 4.226 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.735 -6.292 5.025 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.320 -7.202 4.929 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.728 -6.205 6.243 1.00 0.00 H new ATOM 775 N THR A 54 6.480 -11.442 6.750 1.00 0.00 N ATOM 776 CA THR A 54 6.479 -12.762 6.132 1.00 0.00 C ATOM 777 C THR A 54 5.192 -12.995 5.347 1.00 0.00 C ATOM 778 O THR A 54 4.358 -12.097 5.223 1.00 0.00 O ATOM 779 CB THR A 54 6.647 -13.849 7.196 1.00 0.00 C ATOM 780 OG1 THR A 54 6.191 -13.389 8.457 1.00 0.00 O ATOM 781 CG2 THR A 54 8.078 -14.306 7.365 1.00 0.00 C ATOM 0 H THR A 54 6.532 -11.453 7.769 1.00 0.00 H new ATOM 0 HA THR A 54 7.319 -12.811 5.439 1.00 0.00 H new ATOM 0 HB THR A 54 6.054 -14.693 6.844 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.305 -14.098 9.124 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.125 -15.077 8.134 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.444 -14.712 6.422 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.698 -13.460 7.661 1.00 0.00 H new ATOM 789 N LYS A 55 5.037 -14.203 4.818 1.00 0.00 N ATOM 790 CA LYS A 55 3.851 -14.555 4.044 1.00 0.00 C ATOM 791 C LYS A 55 2.585 -14.380 4.878 1.00 0.00 C ATOM 792 O LYS A 55 1.561 -13.917 4.377 1.00 0.00 O ATOM 793 CB LYS A 55 3.951 -15.997 3.544 1.00 0.00 C ATOM 794 CG LYS A 55 2.768 -16.428 2.694 1.00 0.00 C ATOM 795 CD LYS A 55 2.738 -15.691 1.365 1.00 0.00 C ATOM 796 CE LYS A 55 1.367 -15.766 0.713 1.00 0.00 C ATOM 797 NZ LYS A 55 1.361 -16.670 -0.469 1.00 0.00 N ATOM 0 H LYS A 55 5.718 -14.957 4.911 1.00 0.00 H new ATOM 0 HA LYS A 55 3.796 -13.884 3.187 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.866 -16.109 2.962 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.035 -16.665 4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.820 -17.502 2.514 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.841 -16.240 3.236 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.010 -14.647 1.521 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.484 -16.118 0.695 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.637 -16.118 1.442 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.056 -14.767 0.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.408 -16.693 -0.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.038 -16.321 -1.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.633 -17.629 -0.174 1.00 0.00 H new ATOM 811 N CYS A 56 2.664 -14.753 6.151 1.00 0.00 N ATOM 812 CA CYS A 56 1.525 -14.637 7.053 1.00 0.00 C ATOM 813 C CYS A 56 1.233 -13.175 7.376 1.00 0.00 C ATOM 814 O CYS A 56 0.077 -12.778 7.512 1.00 0.00 O ATOM 815 CB CYS A 56 1.790 -15.413 8.345 1.00 0.00 C ATOM 816 SG CYS A 56 1.254 -17.139 8.289 1.00 0.00 S ATOM 0 H CYS A 56 3.505 -15.138 6.581 1.00 0.00 H new ATOM 0 HA CYS A 56 0.654 -15.061 6.554 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.857 -15.382 8.563 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.281 -14.912 9.169 1.00 0.00 H new ATOM 0 HG CYS A 56 1.521 -17.713 9.424 1.00 0.00 H new ATOM 822 N GLU A 57 2.291 -12.379 7.496 1.00 0.00 N ATOM 823 CA GLU A 57 2.151 -10.960 7.802 1.00 0.00 C ATOM 824 C GLU A 57 1.389 -10.239 6.696 1.00 0.00 C ATOM 825 O GLU A 57 0.400 -9.555 6.953 1.00 0.00 O ATOM 826 CB GLU A 57 3.526 -10.317 7.984 1.00 0.00 C ATOM 827 CG GLU A 57 4.366 -10.977 9.065 1.00 0.00 C ATOM 828 CD GLU A 57 3.751 -10.841 10.445 1.00 0.00 C ATOM 829 OE1 GLU A 57 2.641 -11.372 10.656 1.00 0.00 O ATOM 830 OE2 GLU A 57 4.381 -10.202 11.314 1.00 0.00 O ATOM 0 H GLU A 57 3.255 -12.693 7.386 1.00 0.00 H new ATOM 0 HA GLU A 57 1.587 -10.870 8.731 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.066 -10.360 7.038 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.396 -9.263 8.229 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.490 -12.034 8.829 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.361 -10.532 9.069 1.00 0.00 H new ATOM 837 N LEU A 58 1.861 -10.398 5.465 1.00 0.00 N ATOM 838 CA LEU A 58 1.232 -9.762 4.315 1.00 0.00 C ATOM 839 C LEU A 58 -0.115 -10.408 4.001 1.00 0.00 C ATOM 840 O LEU A 58 -1.016 -9.760 3.468 1.00 0.00 O ATOM 841 CB LEU A 58 2.154 -9.841 3.097 1.00 0.00 C ATOM 842 CG LEU A 58 3.616 -9.478 3.371 1.00 0.00 C ATOM 843 CD1 LEU A 58 4.536 -10.194 2.393 1.00 0.00 C ATOM 844 CD2 LEU A 58 3.816 -7.972 3.287 1.00 0.00 C ATOM 0 H LEU A 58 2.679 -10.963 5.238 1.00 0.00 H new ATOM 0 HA LEU A 58 1.057 -8.714 4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.115 -10.854 2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.768 -9.176 2.324 1.00 0.00 H new ATOM 0 HG LEU A 58 3.868 -9.803 4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.571 -9.924 2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.413 -11.272 2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.284 -9.900 1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.861 -7.732 3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.546 -7.624 2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.185 -7.479 4.026 1.00 0.00 H new ATOM 856 N ASP A 59 -0.249 -11.688 4.338 1.00 0.00 N ATOM 857 CA ASP A 59 -1.489 -12.417 4.094 1.00 0.00 C ATOM 858 C ASP A 59 -2.609 -11.892 4.981 1.00 0.00 C ATOM 859 O ASP A 59 -3.786 -11.995 4.635 1.00 0.00 O ATOM 860 CB ASP A 59 -1.286 -13.913 4.341 1.00 0.00 C ATOM 861 CG ASP A 59 -0.815 -14.644 3.100 1.00 0.00 C ATOM 862 OD1 ASP A 59 -0.063 -14.041 2.305 1.00 0.00 O ATOM 863 OD2 ASP A 59 -1.196 -15.819 2.922 1.00 0.00 O ATOM 0 H ASP A 59 0.485 -12.241 4.780 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.771 -12.265 3.052 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.557 -14.051 5.140 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.222 -14.352 4.685 1.00 0.00 H new ATOM 868 N ALA A 60 -2.241 -11.325 6.123 1.00 0.00 N ATOM 869 CA ALA A 60 -3.223 -10.784 7.048 1.00 0.00 C ATOM 870 C ALA A 60 -3.722 -9.424 6.576 1.00 0.00 C ATOM 871 O ALA A 60 -4.866 -9.048 6.831 1.00 0.00 O ATOM 872 CB ALA A 60 -2.635 -10.681 8.447 1.00 0.00 C ATOM 0 H ALA A 60 -1.273 -11.229 6.428 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.074 -11.465 7.079 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.383 -10.274 9.127 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.334 -11.671 8.789 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.766 -10.024 8.429 1.00 0.00 H new ATOM 878 N ILE A 61 -2.858 -8.693 5.879 1.00 0.00 N ATOM 879 CA ILE A 61 -3.210 -7.382 5.364 1.00 0.00 C ATOM 880 C ILE A 61 -3.963 -7.510 4.041 1.00 0.00 C ATOM 881 O ILE A 61 -5.115 -7.091 3.932 1.00 0.00 O ATOM 882 CB ILE A 61 -1.951 -6.508 5.172 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.426 -6.036 6.529 1.00 0.00 C ATOM 884 CG2 ILE A 61 -2.244 -5.317 4.273 1.00 0.00 C ATOM 885 CD1 ILE A 61 -0.359 -6.937 7.111 1.00 0.00 C ATOM 0 H ILE A 61 -1.907 -8.991 5.659 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.859 -6.898 6.094 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.185 -7.114 4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.022 -5.029 6.423 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.259 -5.973 7.230 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.340 -4.719 4.155 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.575 -5.671 3.297 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.027 -4.706 4.722 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.034 -6.541 8.073 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.765 -7.939 7.250 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.491 -6.981 6.430 1.00 0.00 H new ATOM 897 N ILE A 62 -3.305 -8.099 3.041 1.00 0.00 N ATOM 898 CA ILE A 62 -3.911 -8.292 1.725 1.00 0.00 C ATOM 899 C ILE A 62 -5.354 -8.778 1.849 1.00 0.00 C ATOM 900 O ILE A 62 -6.235 -8.334 1.113 1.00 0.00 O ATOM 901 CB ILE A 62 -3.104 -9.301 0.880 1.00 0.00 C ATOM 902 CG1 ILE A 62 -1.705 -8.746 0.603 1.00 0.00 C ATOM 903 CG2 ILE A 62 -3.830 -9.616 -0.424 1.00 0.00 C ATOM 904 CD1 ILE A 62 -0.868 -9.634 -0.288 1.00 0.00 C ATOM 0 H ILE A 62 -2.351 -8.451 3.119 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.903 -7.324 1.224 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.007 -10.231 1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.798 -7.764 0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.186 -8.603 1.551 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.244 -10.329 -1.004 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.807 -10.045 -0.202 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.959 -8.699 -0.999 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.110 -9.178 -0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.744 -10.609 0.183 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.366 -9.757 -1.250 1.00 0.00 H new ATOM 916 N CYS A 63 -5.586 -9.689 2.789 1.00 0.00 N ATOM 917 CA CYS A 63 -6.921 -10.226 3.016 1.00 0.00 C ATOM 918 C CYS A 63 -7.886 -9.109 3.393 1.00 0.00 C ATOM 919 O CYS A 63 -8.993 -9.024 2.861 1.00 0.00 O ATOM 920 CB CYS A 63 -6.885 -11.288 4.117 1.00 0.00 C ATOM 921 SG CYS A 63 -8.351 -12.345 4.171 1.00 0.00 S ATOM 0 H CYS A 63 -4.867 -10.070 3.404 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.270 -10.690 2.093 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -6.004 -11.914 3.975 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.772 -10.793 5.081 1.00 0.00 H new ATOM 0 HG CYS A 63 -8.226 -13.211 5.132 1.00 0.00 H new ATOM 927 N GLU A 64 -7.451 -8.245 4.304 1.00 0.00 N ATOM 928 CA GLU A 64 -8.269 -7.122 4.743 1.00 0.00 C ATOM 929 C GLU A 64 -8.302 -6.044 3.666 1.00 0.00 C ATOM 930 O GLU A 64 -9.306 -5.355 3.490 1.00 0.00 O ATOM 931 CB GLU A 64 -7.725 -6.543 6.051 1.00 0.00 C ATOM 932 CG GLU A 64 -8.810 -6.125 7.030 1.00 0.00 C ATOM 933 CD GLU A 64 -9.537 -7.311 7.634 1.00 0.00 C ATOM 934 OE1 GLU A 64 -10.538 -7.759 7.038 1.00 0.00 O ATOM 935 OE2 GLU A 64 -9.104 -7.790 8.702 1.00 0.00 O ATOM 0 H GLU A 64 -6.537 -8.302 4.752 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.284 -7.479 4.917 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.083 -7.284 6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.100 -5.679 5.824 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.365 -5.531 7.828 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.529 -5.485 6.519 1.00 0.00 H new ATOM 942 N VAL A 65 -7.194 -5.914 2.941 1.00 0.00 N ATOM 943 CA VAL A 65 -7.089 -4.933 1.870 1.00 0.00 C ATOM 944 C VAL A 65 -8.069 -5.258 0.748 1.00 0.00 C ATOM 945 O VAL A 65 -8.800 -4.389 0.274 1.00 0.00 O ATOM 946 CB VAL A 65 -5.657 -4.887 1.291 1.00 0.00 C ATOM 947 CG1 VAL A 65 -5.591 -3.965 0.082 1.00 0.00 C ATOM 948 CG2 VAL A 65 -4.659 -4.452 2.358 1.00 0.00 C ATOM 0 H VAL A 65 -6.355 -6.478 3.078 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.330 -3.959 2.296 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.390 -5.892 0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.573 -3.949 -0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.270 -4.328 -0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.883 -2.957 0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.657 -4.426 1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.924 -3.459 2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.681 -5.159 3.187 1.00 0.00 H new ATOM 958 N ASP A 66 -8.074 -6.519 0.330 1.00 0.00 N ATOM 959 CA ASP A 66 -8.958 -6.970 -0.737 1.00 0.00 C ATOM 960 C ASP A 66 -10.379 -7.169 -0.223 1.00 0.00 C ATOM 961 O ASP A 66 -10.620 -7.987 0.666 1.00 0.00 O ATOM 962 CB ASP A 66 -8.432 -8.274 -1.339 1.00 0.00 C ATOM 963 CG ASP A 66 -7.300 -8.039 -2.321 1.00 0.00 C ATOM 964 OD1 ASP A 66 -6.159 -7.814 -1.867 1.00 0.00 O ATOM 965 OD2 ASP A 66 -7.557 -8.078 -3.542 1.00 0.00 O ATOM 0 H ASP A 66 -7.474 -7.248 0.715 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.979 -6.201 -1.509 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.086 -8.928 -0.538 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.247 -8.793 -1.844 1.00 0.00 H new ATOM 970 N GLU A 67 -11.316 -6.419 -0.790 1.00 0.00 N ATOM 971 CA GLU A 67 -12.716 -6.512 -0.393 1.00 0.00 C ATOM 972 C GLU A 67 -13.447 -7.569 -1.216 1.00 0.00 C ATOM 973 O GLU A 67 -14.437 -8.145 -0.766 1.00 0.00 O ATOM 974 CB GLU A 67 -13.405 -5.156 -0.556 1.00 0.00 C ATOM 975 CG GLU A 67 -13.351 -4.613 -1.975 1.00 0.00 C ATOM 976 CD GLU A 67 -12.194 -3.654 -2.186 1.00 0.00 C ATOM 977 OE1 GLU A 67 -11.795 -2.981 -1.213 1.00 0.00 O ATOM 978 OE2 GLU A 67 -11.689 -3.577 -3.326 1.00 0.00 O ATOM 0 H GLU A 67 -11.132 -5.739 -1.527 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.751 -6.806 0.656 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.447 -5.248 -0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.938 -4.437 0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.263 -5.444 -2.675 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.287 -4.103 -2.201 1.00 0.00 H new ATOM 985 N ASP A 68 -12.952 -7.817 -2.426 1.00 0.00 N ATOM 986 CA ASP A 68 -13.561 -8.804 -3.312 1.00 0.00 C ATOM 987 C ASP A 68 -12.806 -10.130 -3.265 1.00 0.00 C ATOM 988 O ASP A 68 -12.917 -10.948 -4.178 1.00 0.00 O ATOM 989 CB ASP A 68 -13.591 -8.275 -4.747 1.00 0.00 C ATOM 990 CG ASP A 68 -12.202 -8.008 -5.296 1.00 0.00 C ATOM 991 OD1 ASP A 68 -11.416 -7.317 -4.614 1.00 0.00 O ATOM 992 OD2 ASP A 68 -11.900 -8.494 -6.406 1.00 0.00 O ATOM 0 H ASP A 68 -12.133 -7.349 -2.814 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.581 -8.979 -2.969 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.099 -8.997 -5.387 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.174 -7.355 -4.780 1.00 0.00 H new ATOM 997 N GLY A 69 -12.038 -10.341 -2.197 1.00 0.00 N ATOM 998 CA GLY A 69 -11.280 -11.574 -2.059 1.00 0.00 C ATOM 999 C GLY A 69 -10.481 -11.911 -3.303 1.00 0.00 C ATOM 1000 O GLY A 69 -10.595 -13.010 -3.845 1.00 0.00 O ATOM 0 H GLY A 69 -11.928 -9.681 -1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.603 -11.486 -1.210 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.964 -12.394 -1.838 1.00 0.00 H new ATOM 1004 N SER A 70 -9.672 -10.960 -3.759 1.00 0.00 N ATOM 1005 CA SER A 70 -8.853 -11.157 -4.950 1.00 0.00 C ATOM 1006 C SER A 70 -7.373 -11.267 -4.594 1.00 0.00 C ATOM 1007 O SER A 70 -6.570 -11.753 -5.392 1.00 0.00 O ATOM 1008 CB SER A 70 -9.064 -10.000 -5.930 1.00 0.00 C ATOM 1009 OG SER A 70 -9.569 -8.854 -5.266 1.00 0.00 O ATOM 0 H SER A 70 -9.566 -10.045 -3.322 1.00 0.00 H new ATOM 0 HA SER A 70 -9.162 -12.092 -5.418 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.120 -9.755 -6.417 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.757 -10.305 -6.714 1.00 0.00 H new ATOM 0 HG SER A 70 -8.900 -8.522 -4.631 1.00 0.00 H new ATOM 1015 N GLY A 71 -7.013 -10.807 -3.400 1.00 0.00 N ATOM 1016 CA GLY A 71 -5.626 -10.859 -2.977 1.00 0.00 C ATOM 1017 C GLY A 71 -4.743 -9.916 -3.775 1.00 0.00 C ATOM 1018 O GLY A 71 -3.517 -9.987 -3.692 1.00 0.00 O ATOM 0 H GLY A 71 -7.655 -10.400 -2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.562 -10.605 -1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.254 -11.878 -3.083 1.00 0.00 H new ATOM 1022 N THR A 72 -5.366 -9.031 -4.551 1.00 0.00 N ATOM 1023 CA THR A 72 -4.628 -8.074 -5.364 1.00 0.00 C ATOM 1024 C THR A 72 -4.932 -6.644 -4.931 1.00 0.00 C ATOM 1025 O THR A 72 -6.035 -6.344 -4.472 1.00 0.00 O ATOM 1026 CB THR A 72 -4.976 -8.256 -6.841 1.00 0.00 C ATOM 1027 OG1 THR A 72 -6.372 -8.140 -7.045 1.00 0.00 O ATOM 1028 CG2 THR A 72 -4.539 -9.594 -7.398 1.00 0.00 C ATOM 0 H THR A 72 -6.380 -8.959 -4.632 1.00 0.00 H new ATOM 0 HA THR A 72 -3.563 -8.258 -5.222 1.00 0.00 H new ATOM 0 HB THR A 72 -4.434 -7.469 -7.365 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.574 -8.258 -7.997 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.816 -9.658 -8.450 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.458 -9.693 -7.301 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.028 -10.396 -6.844 1.00 0.00 H new ATOM 1036 N ILE A 73 -3.945 -5.767 -5.074 1.00 0.00 N ATOM 1037 CA ILE A 73 -4.101 -4.369 -4.691 1.00 0.00 C ATOM 1038 C ILE A 73 -4.002 -3.444 -5.900 1.00 0.00 C ATOM 1039 O ILE A 73 -2.926 -3.274 -6.474 1.00 0.00 O ATOM 1040 CB ILE A 73 -3.028 -3.956 -3.670 1.00 0.00 C ATOM 1041 CG1 ILE A 73 -2.939 -4.983 -2.537 1.00 0.00 C ATOM 1042 CG2 ILE A 73 -3.322 -2.570 -3.118 1.00 0.00 C ATOM 1043 CD1 ILE A 73 -1.694 -4.840 -1.689 1.00 0.00 C ATOM 0 H ILE A 73 -3.027 -6.000 -5.453 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.091 -4.273 -4.246 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.064 -3.924 -4.178 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.817 -4.885 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.965 -5.986 -2.963 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.552 -2.295 -2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.330 -1.847 -3.934 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.295 -2.573 -2.627 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.697 -5.599 -0.907 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.811 -4.968 -2.315 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.676 -3.850 -1.234 1.00 0.00 H new ATOM 1055 N ASP A 74 -5.125 -2.841 -6.281 1.00 0.00 N ATOM 1056 CA ASP A 74 -5.145 -1.930 -7.420 1.00 0.00 C ATOM 1057 C ASP A 74 -4.471 -0.606 -7.066 1.00 0.00 C ATOM 1058 O ASP A 74 -3.791 -0.499 -6.046 1.00 0.00 O ATOM 1059 CB ASP A 74 -6.582 -1.694 -7.899 1.00 0.00 C ATOM 1060 CG ASP A 74 -7.425 -0.934 -6.893 1.00 0.00 C ATOM 1061 OD1 ASP A 74 -6.987 0.146 -6.444 1.00 0.00 O ATOM 1062 OD2 ASP A 74 -8.527 -1.418 -6.557 1.00 0.00 O ATOM 0 H ASP A 74 -6.027 -2.966 -5.821 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.585 -2.390 -8.234 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.560 -1.141 -8.838 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.052 -2.655 -8.106 1.00 0.00 H new ATOM 1067 N PHE A 75 -4.654 0.396 -7.920 1.00 0.00 N ATOM 1068 CA PHE A 75 -4.053 1.709 -7.703 1.00 0.00 C ATOM 1069 C PHE A 75 -4.443 2.292 -6.346 1.00 0.00 C ATOM 1070 O PHE A 75 -3.664 2.247 -5.394 1.00 0.00 O ATOM 1071 CB PHE A 75 -4.465 2.668 -8.822 1.00 0.00 C ATOM 1072 CG PHE A 75 -3.637 2.527 -10.067 1.00 0.00 C ATOM 1073 CD1 PHE A 75 -3.785 1.424 -10.892 1.00 0.00 C ATOM 1074 CD2 PHE A 75 -2.710 3.498 -10.412 1.00 0.00 C ATOM 1075 CE1 PHE A 75 -3.024 1.291 -12.038 1.00 0.00 C ATOM 1076 CE2 PHE A 75 -1.946 3.371 -11.557 1.00 0.00 C ATOM 1077 CZ PHE A 75 -2.103 2.266 -12.371 1.00 0.00 C ATOM 0 H PHE A 75 -5.214 0.325 -8.770 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.970 1.583 -7.713 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.512 2.496 -9.070 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.388 3.693 -8.458 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.503 0.659 -10.637 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.583 4.364 -9.779 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.149 0.426 -12.673 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.227 4.135 -11.815 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.507 2.164 -13.266 1.00 0.00 H new ATOM 1087 N GLU A 76 -5.647 2.853 -6.268 1.00 0.00 N ATOM 1088 CA GLU A 76 -6.134 3.459 -5.031 1.00 0.00 C ATOM 1089 C GLU A 76 -6.108 2.471 -3.870 1.00 0.00 C ATOM 1090 O GLU A 76 -5.948 2.864 -2.714 1.00 0.00 O ATOM 1091 CB GLU A 76 -7.555 3.989 -5.223 1.00 0.00 C ATOM 1092 CG GLU A 76 -7.689 4.984 -6.364 1.00 0.00 C ATOM 1093 CD GLU A 76 -7.135 6.351 -6.013 1.00 0.00 C ATOM 1094 OE1 GLU A 76 -5.896 6.492 -5.954 1.00 0.00 O ATOM 1095 OE2 GLU A 76 -7.941 7.281 -5.798 1.00 0.00 O ATOM 0 H GLU A 76 -6.304 2.901 -7.047 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.466 4.285 -4.788 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.225 3.149 -5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.884 4.464 -4.299 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.168 4.599 -7.240 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.740 5.081 -6.635 1.00 0.00 H new ATOM 1102 N GLU A 77 -6.275 1.189 -4.176 1.00 0.00 N ATOM 1103 CA GLU A 77 -6.281 0.155 -3.147 1.00 0.00 C ATOM 1104 C GLU A 77 -5.019 0.216 -2.290 1.00 0.00 C ATOM 1105 O GLU A 77 -5.041 -0.160 -1.120 1.00 0.00 O ATOM 1106 CB GLU A 77 -6.414 -1.232 -3.781 1.00 0.00 C ATOM 1107 CG GLU A 77 -7.823 -1.798 -3.705 1.00 0.00 C ATOM 1108 CD GLU A 77 -7.891 -3.255 -4.122 1.00 0.00 C ATOM 1109 OE1 GLU A 77 -7.536 -4.126 -3.301 1.00 0.00 O ATOM 1110 OE2 GLU A 77 -8.300 -3.526 -5.272 1.00 0.00 O ATOM 0 H GLU A 77 -6.408 0.841 -5.126 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.141 0.337 -2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.109 -1.177 -4.826 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.728 -1.918 -3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.196 -1.698 -2.686 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.481 -1.210 -4.344 1.00 0.00 H new ATOM 1117 N PHE A 78 -3.923 0.690 -2.877 1.00 0.00 N ATOM 1118 CA PHE A 78 -2.656 0.797 -2.157 1.00 0.00 C ATOM 1119 C PHE A 78 -2.754 1.793 -1.002 1.00 0.00 C ATOM 1120 O PHE A 78 -1.908 1.801 -0.109 1.00 0.00 O ATOM 1121 CB PHE A 78 -1.532 1.208 -3.109 1.00 0.00 C ATOM 1122 CG PHE A 78 -0.161 0.945 -2.556 1.00 0.00 C ATOM 1123 CD1 PHE A 78 0.185 -0.316 -2.102 1.00 0.00 C ATOM 1124 CD2 PHE A 78 0.778 1.961 -2.485 1.00 0.00 C ATOM 1125 CE1 PHE A 78 1.442 -0.561 -1.586 1.00 0.00 C ATOM 1126 CE2 PHE A 78 2.038 1.721 -1.971 1.00 0.00 C ATOM 1127 CZ PHE A 78 2.370 0.459 -1.519 1.00 0.00 C ATOM 0 H PHE A 78 -3.886 1.005 -3.846 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.429 -0.184 -1.741 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.647 0.669 -4.050 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.627 2.270 -3.336 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.537 -1.118 -2.152 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.523 2.950 -2.835 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.699 -1.550 -1.235 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.763 2.520 -1.923 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.353 0.270 -1.114 1.00 0.00 H new ATOM 1137 N LEU A 79 -3.792 2.623 -1.014 1.00 0.00 N ATOM 1138 CA LEU A 79 -3.991 3.602 0.047 1.00 0.00 C ATOM 1139 C LEU A 79 -4.944 3.055 1.103 1.00 0.00 C ATOM 1140 O LEU A 79 -4.690 3.173 2.301 1.00 0.00 O ATOM 1141 CB LEU A 79 -4.533 4.913 -0.526 1.00 0.00 C ATOM 1142 CG LEU A 79 -3.637 5.582 -1.573 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -4.219 5.408 -2.967 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -3.451 7.059 -1.253 1.00 0.00 C ATOM 0 H LEU A 79 -4.505 2.637 -1.743 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.027 3.801 0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.508 4.721 -0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.692 5.613 0.295 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.661 5.098 -1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.568 5.890 -3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.298 4.346 -3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.209 5.863 -3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.812 7.517 -2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.421 7.556 -1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.987 7.163 -0.272 1.00 0.00 H new ATOM 1156 N VAL A 80 -6.036 2.447 0.651 1.00 0.00 N ATOM 1157 CA VAL A 80 -7.019 1.877 1.563 1.00 0.00 C ATOM 1158 C VAL A 80 -6.410 0.731 2.362 1.00 0.00 C ATOM 1159 O VAL A 80 -6.768 0.505 3.518 1.00 0.00 O ATOM 1160 CB VAL A 80 -8.270 1.374 0.812 1.00 0.00 C ATOM 1161 CG1 VAL A 80 -7.976 0.090 0.051 1.00 0.00 C ATOM 1162 CG2 VAL A 80 -9.425 1.174 1.782 1.00 0.00 C ATOM 0 H VAL A 80 -6.261 2.337 -0.338 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.324 2.672 2.244 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.556 2.133 0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.876 -0.240 -0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.184 0.271 -0.676 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.657 -0.683 0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.300 0.819 1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.144 0.439 2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.660 2.121 2.268 1.00 0.00 H new ATOM 1172 N MET A 81 -5.480 0.013 1.737 1.00 0.00 N ATOM 1173 CA MET A 81 -4.809 -1.107 2.389 1.00 0.00 C ATOM 1174 C MET A 81 -4.267 -0.688 3.748 1.00 0.00 C ATOM 1175 O MET A 81 -4.382 -1.418 4.733 1.00 0.00 O ATOM 1176 CB MET A 81 -3.661 -1.626 1.519 1.00 0.00 C ATOM 1177 CG MET A 81 -2.884 -0.538 0.807 1.00 0.00 C ATOM 1178 SD MET A 81 -1.119 -0.881 0.728 1.00 0.00 S ATOM 1179 CE MET A 81 -0.735 -0.985 2.470 1.00 0.00 C ATOM 0 H MET A 81 -5.174 0.187 0.780 1.00 0.00 H new ATOM 0 HA MET A 81 -5.540 -1.903 2.527 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.975 -2.198 2.144 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.065 -2.315 0.777 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.273 -0.423 -0.205 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.043 0.411 1.320 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.255 -0.566 2.650 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.476 -0.424 3.040 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.749 -2.029 2.784 1.00 0.00 H new ATOM 1189 N MET A 82 -3.677 0.497 3.785 1.00 0.00 N ATOM 1190 CA MET A 82 -3.110 1.037 5.009 1.00 0.00 C ATOM 1191 C MET A 82 -4.167 1.782 5.822 1.00 0.00 C ATOM 1192 O MET A 82 -4.051 1.905 7.041 1.00 0.00 O ATOM 1193 CB MET A 82 -1.938 1.955 4.678 1.00 0.00 C ATOM 1194 CG MET A 82 -0.591 1.337 5.015 1.00 0.00 C ATOM 1195 SD MET A 82 0.591 2.550 5.621 1.00 0.00 S ATOM 1196 CE MET A 82 0.382 3.825 4.390 1.00 0.00 C ATOM 0 H MET A 82 -3.579 1.107 2.973 1.00 0.00 H new ATOM 0 HA MET A 82 -2.748 0.208 5.617 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.964 2.201 3.616 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.050 2.891 5.225 1.00 0.00 H new ATOM 0 HG2 MET A 82 -0.729 0.561 5.768 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.186 0.851 4.128 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.831 4.752 4.746 1.00 0.00 H new ATOM 0 HE2 MET A 82 0.868 3.519 3.463 1.00 0.00 H new ATOM 0 HE3 MET A 82 -0.681 3.984 4.207 1.00 0.00 H new ATOM 1206 N VAL A 83 -5.203 2.266 5.142 1.00 0.00 N ATOM 1207 CA VAL A 83 -6.283 2.984 5.810 1.00 0.00 C ATOM 1208 C VAL A 83 -7.044 2.050 6.746 1.00 0.00 C ATOM 1209 O VAL A 83 -7.432 2.436 7.848 1.00 0.00 O ATOM 1210 CB VAL A 83 -7.268 3.602 4.793 1.00 0.00 C ATOM 1211 CG1 VAL A 83 -8.451 4.254 5.500 1.00 0.00 C ATOM 1212 CG2 VAL A 83 -6.555 4.609 3.901 1.00 0.00 C ATOM 0 H VAL A 83 -5.317 2.174 4.133 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.829 3.791 6.386 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.653 2.797 4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.128 4.680 4.759 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.982 3.505 6.087 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.091 5.044 6.159 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.265 5.033 3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.135 5.406 4.515 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.753 4.110 3.357 1.00 0.00 H new ATOM 1222 N ARG A 84 -7.247 0.815 6.298 1.00 0.00 N ATOM 1223 CA ARG A 84 -7.957 -0.182 7.094 1.00 0.00 C ATOM 1224 C ARG A 84 -7.127 -0.612 8.301 1.00 0.00 C ATOM 1225 O ARG A 84 -7.650 -1.205 9.245 1.00 0.00 O ATOM 1226 CB ARG A 84 -8.297 -1.401 6.235 1.00 0.00 C ATOM 1227 CG ARG A 84 -9.111 -1.064 4.996 1.00 0.00 C ATOM 1228 CD ARG A 84 -10.124 -2.155 4.680 1.00 0.00 C ATOM 1229 NE ARG A 84 -11.412 -1.602 4.271 1.00 0.00 N ATOM 1230 CZ ARG A 84 -12.496 -2.341 4.040 1.00 0.00 C ATOM 1231 NH1 ARG A 84 -12.449 -3.661 4.176 1.00 0.00 N ATOM 1232 NH2 ARG A 84 -13.629 -1.758 3.672 1.00 0.00 N ATOM 0 H ARG A 84 -6.930 0.480 5.388 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.880 0.270 7.455 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.372 -1.890 5.930 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.852 -2.118 6.840 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.630 -0.117 5.147 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.442 -0.930 4.146 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.735 -2.793 3.886 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -10.263 -2.787 5.557 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.486 -0.591 4.155 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.580 -4.114 4.459 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -13.282 -4.222 3.998 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.670 -0.744 3.566 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.459 -2.323 3.495 1.00 0.00 H new ATOM 1246 N GLN A 85 -5.832 -0.305 8.271 1.00 0.00 N ATOM 1247 CA GLN A 85 -4.937 -0.656 9.367 1.00 0.00 C ATOM 1248 C GLN A 85 -4.631 0.572 10.216 1.00 0.00 C ATOM 1249 O GLN A 85 -4.410 0.469 11.422 1.00 0.00 O ATOM 1250 CB GLN A 85 -3.638 -1.253 8.824 1.00 0.00 C ATOM 1251 CG GLN A 85 -3.854 -2.313 7.755 1.00 0.00 C ATOM 1252 CD GLN A 85 -4.459 -3.586 8.313 1.00 0.00 C ATOM 1253 OE1 GLN A 85 -4.770 -3.672 9.501 1.00 0.00 O ATOM 1254 NE2 GLN A 85 -4.628 -4.586 7.455 1.00 0.00 N ATOM 0 H GLN A 85 -5.381 0.186 7.499 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.432 -1.400 9.991 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -3.025 -0.452 8.411 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -3.076 -1.691 9.649 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.507 -1.914 6.979 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -2.901 -2.545 7.281 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.356 -4.472 6.479 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.030 -5.468 7.773 1.00 0.00 H new ATOM 1263 N MET A 86 -4.625 1.734 9.573 1.00 0.00 N ATOM 1264 CA MET A 86 -4.354 2.990 10.257 1.00 0.00 C ATOM 1265 C MET A 86 -5.485 3.334 11.220 1.00 0.00 C ATOM 1266 O MET A 86 -5.260 3.532 12.413 1.00 0.00 O ATOM 1267 CB MET A 86 -4.176 4.113 9.235 1.00 0.00 C ATOM 1268 CG MET A 86 -2.732 4.317 8.803 1.00 0.00 C ATOM 1269 SD MET A 86 -2.513 5.788 7.783 1.00 0.00 S ATOM 1270 CE MET A 86 -1.796 5.069 6.309 1.00 0.00 C ATOM 0 H MET A 86 -4.806 1.831 8.574 1.00 0.00 H new ATOM 0 HA MET A 86 -3.434 2.880 10.831 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.782 3.893 8.356 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.555 5.043 9.659 1.00 0.00 H new ATOM 0 HG2 MET A 86 -2.100 4.396 9.688 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.396 3.441 8.248 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.360 5.857 5.695 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.020 4.358 6.592 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.571 4.554 5.741 1.00 0.00 H new ATOM 1280 N LYS A 87 -6.702 3.402 10.691 1.00 0.00 N ATOM 1281 CA LYS A 87 -7.872 3.719 11.499 1.00 0.00 C ATOM 1282 C LYS A 87 -8.273 2.526 12.363 1.00 0.00 C ATOM 1283 O LYS A 87 -8.538 2.673 13.556 1.00 0.00 O ATOM 1284 CB LYS A 87 -9.038 4.129 10.599 1.00 0.00 C ATOM 1285 CG LYS A 87 -8.880 5.515 9.998 1.00 0.00 C ATOM 1286 CD LYS A 87 -7.817 5.535 8.913 1.00 0.00 C ATOM 1287 CE LYS A 87 -8.217 6.442 7.762 1.00 0.00 C ATOM 1288 NZ LYS A 87 -7.969 7.876 8.073 1.00 0.00 N ATOM 0 H LYS A 87 -6.903 3.241 9.704 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.619 4.551 12.156 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.138 3.401 9.794 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.962 4.095 11.176 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.832 5.842 9.581 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.614 6.224 10.782 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.871 5.875 9.334 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.655 4.523 8.542 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.659 6.162 6.869 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.273 6.297 7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.671 8.464 7.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.048 8.027 9.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.014 8.140 7.757 1.00 0.00 H new ATOM 1302 N GLU A 88 -8.314 1.347 11.751 1.00 0.00 N ATOM 1303 CA GLU A 88 -8.681 0.125 12.463 1.00 0.00 C ATOM 1304 C GLU A 88 -10.121 0.199 12.966 1.00 0.00 C ATOM 1305 O GLU A 88 -11.031 -0.361 12.353 1.00 0.00 O ATOM 1306 CB GLU A 88 -7.725 -0.116 13.636 1.00 0.00 C ATOM 1307 CG GLU A 88 -6.746 -1.255 13.397 1.00 0.00 C ATOM 1308 CD GLU A 88 -6.490 -2.073 14.648 1.00 0.00 C ATOM 1309 OE1 GLU A 88 -6.424 -1.478 15.744 1.00 0.00 O ATOM 1310 OE2 GLU A 88 -6.356 -3.309 14.532 1.00 0.00 O ATOM 0 H GLU A 88 -8.098 1.210 10.764 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.603 -0.709 11.766 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.165 0.799 13.832 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.308 -0.331 14.531 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.135 -1.906 12.614 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.802 -0.848 13.033 1.00 0.00 H new ATOM 1317 N ASP A 89 -10.321 0.891 14.083 1.00 0.00 N ATOM 1318 CA ASP A 89 -11.651 1.036 14.665 1.00 0.00 C ATOM 1319 C ASP A 89 -12.216 2.425 14.391 1.00 0.00 C ATOM 1320 O ASP A 89 -12.055 3.343 15.195 1.00 0.00 O ATOM 1321 CB ASP A 89 -11.601 0.781 16.172 1.00 0.00 C ATOM 1322 CG ASP A 89 -10.850 -0.490 16.519 1.00 0.00 C ATOM 1323 OD1 ASP A 89 -9.611 -0.508 16.363 1.00 0.00 O ATOM 1324 OD2 ASP A 89 -11.500 -1.466 16.947 1.00 0.00 O ATOM 0 H ASP A 89 -9.580 1.360 14.603 1.00 0.00 H new ATOM 0 HA ASP A 89 -12.306 0.299 14.200 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -11.124 1.628 16.665 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -12.617 0.717 16.561 1.00 0.00 H new ATOM 1329 N ALA A 90 -12.880 2.573 13.248 1.00 0.00 N ATOM 1330 CA ALA A 90 -13.469 3.850 12.867 1.00 0.00 C ATOM 1331 C ALA A 90 -14.879 3.995 13.432 1.00 0.00 C ATOM 1332 O ALA A 90 -15.440 2.976 13.887 1.00 0.00 O ATOM 1333 CB ALA A 90 -13.489 3.991 11.353 1.00 0.00 C ATOM 1334 OXT ALA A 90 -15.409 5.126 13.415 1.00 0.00 O ATOM 0 H ALA A 90 -13.023 1.824 12.571 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.853 4.645 13.287 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -13.932 4.950 11.083 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.470 3.941 10.969 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.080 3.184 10.920 1.00 0.00 H new TER 1340 ALA A 90 ATOM 1341 N ARG B 115 -0.179 -2.888 8.843 1.00 0.00 N ATOM 1342 CA ARG B 115 0.695 -2.094 7.941 1.00 0.00 C ATOM 1343 C ARG B 115 0.591 -0.602 8.241 1.00 0.00 C ATOM 1344 O ARG B 115 0.813 0.234 7.366 1.00 0.00 O ATOM 1345 CB ARG B 115 0.284 -2.372 6.493 1.00 0.00 C ATOM 1346 CG ARG B 115 1.441 -2.803 5.607 1.00 0.00 C ATOM 1347 CD ARG B 115 1.645 -4.311 5.642 1.00 0.00 C ATOM 1348 NE ARG B 115 3.016 -4.669 6.002 1.00 0.00 N ATOM 1349 CZ ARG B 115 3.446 -4.809 7.254 1.00 0.00 C ATOM 1350 NH1 ARG B 115 2.618 -4.628 8.275 1.00 0.00 N ATOM 1351 NH2 ARG B 115 4.711 -5.132 7.486 1.00 0.00 N ATOM 0 HA ARG B 115 1.732 -2.388 8.101 1.00 0.00 H new ATOM 0 HB2 ARG B 115 -0.480 -3.149 6.483 1.00 0.00 H new ATOM 0 HB3 ARG B 115 -0.170 -1.474 6.074 1.00 0.00 H new ATOM 0 HG2 ARG B 115 1.252 -2.485 4.582 1.00 0.00 H new ATOM 0 HG3 ARG B 115 2.354 -2.305 5.933 1.00 0.00 H new ATOM 0 HD2 ARG B 115 0.954 -4.754 6.359 1.00 0.00 H new ATOM 0 HD3 ARG B 115 1.404 -4.732 4.666 1.00 0.00 H new ATOM 0 HE ARG B 115 3.685 -4.821 5.247 1.00 0.00 H new ATOM 0 HH11 ARG B 115 1.644 -4.380 8.104 1.00 0.00 H new ATOM 0 HH12 ARG B 115 2.956 -4.737 9.231 1.00 0.00 H new ATOM 0 HH21 ARG B 115 5.353 -5.273 6.706 1.00 0.00 H new ATOM 0 HH22 ARG B 115 5.042 -5.240 8.445 1.00 0.00 H new ATOM 1367 N MET B 116 0.253 -0.272 9.485 1.00 0.00 N ATOM 1368 CA MET B 116 0.122 1.121 9.894 1.00 0.00 C ATOM 1369 C MET B 116 1.488 1.787 10.001 1.00 0.00 C ATOM 1370 O MET B 116 2.490 1.130 10.282 1.00 0.00 O ATOM 1371 CB MET B 116 -0.611 1.217 11.234 1.00 0.00 C ATOM 1372 CG MET B 116 -0.796 2.644 11.722 1.00 0.00 C ATOM 1373 SD MET B 116 -1.436 2.725 13.406 1.00 0.00 S ATOM 1374 CE MET B 116 -0.164 3.700 14.205 1.00 0.00 C ATOM 0 H MET B 116 0.066 -0.949 10.224 1.00 0.00 H new ATOM 0 HA MET B 116 -0.459 1.642 9.133 1.00 0.00 H new ATOM 0 HB2 MET B 116 -1.588 0.744 11.139 1.00 0.00 H new ATOM 0 HB3 MET B 116 -0.056 0.654 11.984 1.00 0.00 H new ATOM 0 HG2 MET B 116 0.159 3.167 11.675 1.00 0.00 H new ATOM 0 HG3 MET B 116 -1.479 3.167 11.052 1.00 0.00 H new ATOM 0 HE1 MET B 116 -0.417 3.837 15.256 1.00 0.00 H new ATOM 0 HE2 MET B 116 0.793 3.184 14.127 1.00 0.00 H new ATOM 0 HE3 MET B 116 -0.092 4.673 13.719 1.00 0.00 H new ATOM 1384 N SER B 117 1.521 3.097 9.776 1.00 0.00 N ATOM 1385 CA SER B 117 2.765 3.853 9.847 1.00 0.00 C ATOM 1386 C SER B 117 3.809 3.278 8.900 1.00 0.00 C ATOM 1387 O SER B 117 4.997 3.226 9.219 1.00 0.00 O ATOM 1388 CB SER B 117 3.297 3.869 11.280 1.00 0.00 C ATOM 1389 OG SER B 117 4.609 4.404 11.335 1.00 0.00 O ATOM 0 H SER B 117 0.700 3.656 9.543 1.00 0.00 H new ATOM 0 HA SER B 117 2.557 4.877 9.539 1.00 0.00 H new ATOM 0 HB2 SER B 117 2.633 4.461 11.910 1.00 0.00 H new ATOM 0 HB3 SER B 117 3.298 2.856 11.682 1.00 0.00 H new ATOM 0 HG SER B 117 5.202 3.877 10.760 1.00 0.00 H new ATOM 1395 N ALA B 118 3.357 2.865 7.721 1.00 0.00 N ATOM 1396 CA ALA B 118 4.252 2.315 6.714 1.00 0.00 C ATOM 1397 C ALA B 118 4.928 3.434 5.926 1.00 0.00 C ATOM 1398 O ALA B 118 5.661 3.175 4.971 1.00 0.00 O ATOM 1399 CB ALA B 118 3.497 1.384 5.778 1.00 0.00 C ATOM 0 H ALA B 118 2.377 2.901 7.441 1.00 0.00 H new ATOM 0 HA ALA B 118 5.025 1.738 7.222 1.00 0.00 H new ATOM 0 HB1 ALA B 118 4.183 0.983 5.032 1.00 0.00 H new ATOM 0 HB2 ALA B 118 3.064 0.564 6.351 1.00 0.00 H new ATOM 0 HB3 ALA B 118 2.701 1.937 5.279 1.00 0.00 H new ATOM 1405 N ASP B 119 4.681 4.683 6.337 1.00 0.00 N ATOM 1406 CA ASP B 119 5.267 5.845 5.678 1.00 0.00 C ATOM 1407 C ASP B 119 6.750 5.625 5.406 1.00 0.00 C ATOM 1408 O ASP B 119 7.303 6.168 4.452 1.00 0.00 O ATOM 1409 CB ASP B 119 5.075 7.093 6.543 1.00 0.00 C ATOM 1410 CG ASP B 119 5.319 8.375 5.771 1.00 0.00 C ATOM 1411 OD1 ASP B 119 4.407 8.808 5.036 1.00 0.00 O ATOM 1412 OD2 ASP B 119 6.422 8.945 5.901 1.00 0.00 O ATOM 0 H ASP B 119 4.076 4.910 7.126 1.00 0.00 H new ATOM 0 HA ASP B 119 4.759 5.988 4.724 1.00 0.00 H new ATOM 0 HB2 ASP B 119 4.062 7.101 6.944 1.00 0.00 H new ATOM 0 HB3 ASP B 119 5.755 7.050 7.394 1.00 0.00 H new ATOM 1417 N ALA B 120 7.389 4.818 6.249 1.00 0.00 N ATOM 1418 CA ALA B 120 8.807 4.522 6.088 1.00 0.00 C ATOM 1419 C ALA B 120 9.083 3.945 4.705 1.00 0.00 C ATOM 1420 O ALA B 120 9.790 4.551 3.900 1.00 0.00 O ATOM 1421 CB ALA B 120 9.276 3.562 7.171 1.00 0.00 C ATOM 0 H ALA B 120 6.948 4.360 7.047 1.00 0.00 H new ATOM 0 HA ALA B 120 9.365 5.453 6.186 1.00 0.00 H new ATOM 0 HB1 ALA B 120 10.337 3.351 7.036 1.00 0.00 H new ATOM 0 HB2 ALA B 120 9.117 4.013 8.151 1.00 0.00 H new ATOM 0 HB3 ALA B 120 8.710 2.633 7.103 1.00 0.00 H new ATOM 1427 N MET B 121 8.506 2.779 4.424 1.00 0.00 N ATOM 1428 CA MET B 121 8.680 2.141 3.124 1.00 0.00 C ATOM 1429 C MET B 121 8.208 3.078 2.022 1.00 0.00 C ATOM 1430 O MET B 121 8.808 3.152 0.949 1.00 0.00 O ATOM 1431 CB MET B 121 7.899 0.824 3.063 1.00 0.00 C ATOM 1432 CG MET B 121 7.883 0.179 1.683 1.00 0.00 C ATOM 1433 SD MET B 121 6.375 -0.759 1.372 1.00 0.00 S ATOM 1434 CE MET B 121 5.147 0.544 1.417 1.00 0.00 C ATOM 0 H MET B 121 7.917 2.260 5.076 1.00 0.00 H new ATOM 0 HA MET B 121 9.738 1.923 2.981 1.00 0.00 H new ATOM 0 HB2 MET B 121 8.332 0.123 3.776 1.00 0.00 H new ATOM 0 HB3 MET B 121 6.872 1.007 3.380 1.00 0.00 H new ATOM 0 HG2 MET B 121 7.988 0.953 0.923 1.00 0.00 H new ATOM 0 HG3 MET B 121 8.744 -0.482 1.585 1.00 0.00 H new ATOM 0 HE1 MET B 121 4.325 0.293 0.747 1.00 0.00 H new ATOM 0 HE2 MET B 121 4.767 0.651 2.433 1.00 0.00 H new ATOM 0 HE3 MET B 121 5.601 1.483 1.099 1.00 0.00 H new ATOM 1444 N LEU B 122 7.128 3.796 2.303 1.00 0.00 N ATOM 1445 CA LEU B 122 6.567 4.737 1.349 1.00 0.00 C ATOM 1446 C LEU B 122 7.550 5.875 1.091 1.00 0.00 C ATOM 1447 O LEU B 122 7.665 6.367 -0.029 1.00 0.00 O ATOM 1448 CB LEU B 122 5.235 5.285 1.871 1.00 0.00 C ATOM 1449 CG LEU B 122 4.028 4.357 1.694 1.00 0.00 C ATOM 1450 CD1 LEU B 122 4.121 3.154 2.625 1.00 0.00 C ATOM 1451 CD2 LEU B 122 2.734 5.118 1.942 1.00 0.00 C ATOM 0 H LEU B 122 6.623 3.742 3.188 1.00 0.00 H new ATOM 0 HA LEU B 122 6.384 4.219 0.408 1.00 0.00 H new ATOM 0 HB2 LEU B 122 5.345 5.512 2.931 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.025 6.227 1.364 1.00 0.00 H new ATOM 0 HG LEU B 122 4.030 3.992 0.667 1.00 0.00 H new ATOM 0 HD11 LEU B 122 3.252 2.512 2.478 1.00 0.00 H new ATOM 0 HD12 LEU B 122 5.028 2.592 2.404 1.00 0.00 H new ATOM 0 HD13 LEU B 122 4.149 3.496 3.660 1.00 0.00 H new ATOM 0 HD21 LEU B 122 1.886 4.446 1.813 1.00 0.00 H new ATOM 0 HD22 LEU B 122 2.733 5.512 2.958 1.00 0.00 H new ATOM 0 HD23 LEU B 122 2.655 5.942 1.233 1.00 0.00 H new ATOM 1463 N ARG B 123 8.268 6.279 2.134 1.00 0.00 N ATOM 1464 CA ARG B 123 9.256 7.346 2.014 1.00 0.00 C ATOM 1465 C ARG B 123 10.634 6.779 1.670 1.00 0.00 C ATOM 1466 O ARG B 123 11.643 7.478 1.766 1.00 0.00 O ATOM 1467 CB ARG B 123 9.332 8.147 3.315 1.00 0.00 C ATOM 1468 CG ARG B 123 10.161 9.417 3.201 1.00 0.00 C ATOM 1469 CD ARG B 123 9.397 10.632 3.703 1.00 0.00 C ATOM 1470 NE ARG B 123 8.735 11.349 2.615 1.00 0.00 N ATOM 1471 CZ ARG B 123 8.199 12.561 2.745 1.00 0.00 C ATOM 1472 NH1 ARG B 123 8.246 13.193 3.910 1.00 0.00 N ATOM 1473 NH2 ARG B 123 7.615 13.142 1.705 1.00 0.00 N ATOM 0 H ARG B 123 8.185 5.884 3.071 1.00 0.00 H new ATOM 0 HA ARG B 123 8.943 8.007 1.205 1.00 0.00 H new ATOM 0 HB2 ARG B 123 8.322 8.410 3.630 1.00 0.00 H new ATOM 0 HB3 ARG B 123 9.755 7.516 4.096 1.00 0.00 H new ATOM 0 HG2 ARG B 123 11.082 9.304 3.773 1.00 0.00 H new ATOM 0 HG3 ARG B 123 10.449 9.572 2.161 1.00 0.00 H new ATOM 0 HD2 ARG B 123 8.653 10.316 4.435 1.00 0.00 H new ATOM 0 HD3 ARG B 123 10.083 11.305 4.217 1.00 0.00 H new ATOM 0 HE ARG B 123 8.680 10.895 1.703 1.00 0.00 H new ATOM 0 HH11 ARG B 123 8.694 12.751 4.712 1.00 0.00 H new ATOM 0 HH12 ARG B 123 7.834 14.121 4.004 1.00 0.00 H new ATOM 0 HH21 ARG B 123 7.577 12.660 0.807 1.00 0.00 H new ATOM 0 HH22 ARG B 123 7.204 14.070 1.804 1.00 0.00 H new ATOM 1487 N ALA B 124 10.672 5.505 1.281 1.00 0.00 N ATOM 1488 CA ALA B 124 11.925 4.843 0.939 1.00 0.00 C ATOM 1489 C ALA B 124 12.327 5.101 -0.510 1.00 0.00 C ATOM 1490 O ALA B 124 13.300 5.804 -0.780 1.00 0.00 O ATOM 1491 CB ALA B 124 11.810 3.345 1.187 1.00 0.00 C ATOM 0 H ALA B 124 9.846 4.912 1.196 1.00 0.00 H new ATOM 0 HA ALA B 124 12.703 5.261 1.579 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.751 2.860 0.928 1.00 0.00 H new ATOM 0 HB2 ALA B 124 11.587 3.166 2.239 1.00 0.00 H new ATOM 0 HB3 ALA B 124 11.009 2.935 0.572 1.00 0.00 H new ATOM 1497 N LEU B 125 11.579 4.513 -1.437 1.00 0.00 N ATOM 1498 CA LEU B 125 11.863 4.660 -2.858 1.00 0.00 C ATOM 1499 C LEU B 125 11.347 5.990 -3.407 1.00 0.00 C ATOM 1500 O LEU B 125 11.634 6.347 -4.550 1.00 0.00 O ATOM 1501 CB LEU B 125 11.249 3.494 -3.632 1.00 0.00 C ATOM 1502 CG LEU B 125 11.576 2.113 -3.063 1.00 0.00 C ATOM 1503 CD1 LEU B 125 10.496 1.114 -3.438 1.00 0.00 C ATOM 1504 CD2 LEU B 125 12.937 1.644 -3.554 1.00 0.00 C ATOM 0 H LEU B 125 10.769 3.929 -1.228 1.00 0.00 H new ATOM 0 HA LEU B 125 12.946 4.653 -2.985 1.00 0.00 H new ATOM 0 HB2 LEU B 125 10.166 3.618 -3.652 1.00 0.00 H new ATOM 0 HB3 LEU B 125 11.594 3.538 -4.665 1.00 0.00 H new ATOM 0 HG LEU B 125 11.611 2.186 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU B 125 10.745 0.137 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU B 125 9.539 1.445 -3.035 1.00 0.00 H new ATOM 0 HD13 LEU B 125 10.428 1.042 -4.523 1.00 0.00 H new ATOM 0 HD21 LEU B 125 13.154 0.660 -3.139 1.00 0.00 H new ATOM 0 HD22 LEU B 125 12.931 1.586 -4.642 1.00 0.00 H new ATOM 0 HD23 LEU B 125 13.703 2.350 -3.232 1.00 0.00 H new ATOM 1516 N LEU B 126 10.590 6.723 -2.595 1.00 0.00 N ATOM 1517 CA LEU B 126 10.049 8.012 -3.018 1.00 0.00 C ATOM 1518 C LEU B 126 11.154 8.919 -3.553 1.00 0.00 C ATOM 1519 O LEU B 126 11.900 9.524 -2.783 1.00 0.00 O ATOM 1520 CB LEU B 126 9.335 8.701 -1.851 1.00 0.00 C ATOM 1521 CG LEU B 126 8.230 9.685 -2.250 1.00 0.00 C ATOM 1522 CD1 LEU B 126 7.784 10.500 -1.045 1.00 0.00 C ATOM 1523 CD2 LEU B 126 8.703 10.603 -3.369 1.00 0.00 C ATOM 0 H LEU B 126 10.338 6.449 -1.645 1.00 0.00 H new ATOM 0 HA LEU B 126 9.332 7.828 -3.818 1.00 0.00 H new ATOM 0 HB2 LEU B 126 8.902 7.935 -1.208 1.00 0.00 H new ATOM 0 HB3 LEU B 126 10.077 9.234 -1.256 1.00 0.00 H new ATOM 0 HG LEU B 126 7.378 9.112 -2.616 1.00 0.00 H new ATOM 0 HD11 LEU B 126 6.999 11.194 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU B 126 7.401 9.831 -0.275 1.00 0.00 H new ATOM 0 HD13 LEU B 126 8.632 11.060 -0.651 1.00 0.00 H new ATOM 0 HD21 LEU B 126 7.903 11.293 -3.636 1.00 0.00 H new ATOM 0 HD22 LEU B 126 9.572 11.168 -3.033 1.00 0.00 H new ATOM 0 HD23 LEU B 126 8.973 10.006 -4.240 1.00 0.00 H new ATOM 1535 N GLY B 127 11.252 9.009 -4.875 1.00 0.00 N ATOM 1536 CA GLY B 127 12.269 9.844 -5.488 1.00 0.00 C ATOM 1537 C GLY B 127 13.347 9.032 -6.179 1.00 0.00 C ATOM 1538 O GLY B 127 13.523 7.849 -5.891 1.00 0.00 O ATOM 0 H GLY B 127 10.646 8.519 -5.533 1.00 0.00 H new ATOM 0 HA2 GLY B 127 11.800 10.510 -6.212 1.00 0.00 H new ATOM 0 HA3 GLY B 127 12.726 10.474 -4.725 1.00 0.00 H new ATOM 1542 N SER B 128 14.070 9.670 -7.094 1.00 0.00 N ATOM 1543 CA SER B 128 15.137 9.000 -7.828 1.00 0.00 C ATOM 1544 C SER B 128 16.132 10.014 -8.385 1.00 0.00 C ATOM 1545 O SER B 128 15.792 11.175 -8.608 1.00 0.00 O ATOM 1546 CB SER B 128 14.552 8.163 -8.967 1.00 0.00 C ATOM 1547 OG SER B 128 15.236 6.928 -9.095 1.00 0.00 O ATOM 0 H SER B 128 13.936 10.650 -7.345 1.00 0.00 H new ATOM 0 HA SER B 128 15.664 8.342 -7.137 1.00 0.00 H new ATOM 0 HB2 SER B 128 13.494 7.979 -8.781 1.00 0.00 H new ATOM 0 HB3 SER B 128 14.619 8.718 -9.902 1.00 0.00 H new ATOM 0 HG SER B 128 14.842 6.411 -9.828 1.00 0.00 H new ATOM 1553 N LYS B 129 17.365 9.566 -8.606 1.00 0.00 N ATOM 1554 CA LYS B 129 18.409 10.435 -9.137 1.00 0.00 C ATOM 1555 C LYS B 129 19.203 9.729 -10.233 1.00 0.00 C ATOM 1556 O LYS B 129 19.682 8.612 -10.044 1.00 0.00 O ATOM 1557 CB LYS B 129 19.349 10.881 -8.012 1.00 0.00 C ATOM 1558 CG LYS B 129 19.223 12.357 -7.665 1.00 0.00 C ATOM 1559 CD LYS B 129 20.520 13.106 -7.929 1.00 0.00 C ATOM 1560 CE LYS B 129 20.602 14.384 -7.111 1.00 0.00 C ATOM 1561 NZ LYS B 129 20.852 14.105 -5.669 1.00 0.00 N ATOM 0 H LYS B 129 17.664 8.608 -8.426 1.00 0.00 H new ATOM 0 HA LYS B 129 17.931 11.313 -9.572 1.00 0.00 H new ATOM 0 HB2 LYS B 129 19.144 10.288 -7.121 1.00 0.00 H new ATOM 0 HB3 LYS B 129 20.378 10.671 -8.304 1.00 0.00 H new ATOM 0 HG2 LYS B 129 18.419 12.802 -8.251 1.00 0.00 H new ATOM 0 HG3 LYS B 129 18.948 12.463 -6.616 1.00 0.00 H new ATOM 0 HD2 LYS B 129 21.367 12.464 -7.689 1.00 0.00 H new ATOM 0 HD3 LYS B 129 20.593 13.346 -8.990 1.00 0.00 H new ATOM 0 HE2 LYS B 129 21.400 15.015 -7.502 1.00 0.00 H new ATOM 0 HE3 LYS B 129 19.672 14.943 -7.217 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 21.152 14.980 -5.193 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 19.979 13.752 -5.227 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 21.600 13.388 -5.579 1.00 0.00 H new ATOM 1575 N HIS B 130 19.336 10.391 -11.378 1.00 0.00 N ATOM 1576 CA HIS B 130 20.071 9.828 -12.505 1.00 0.00 C ATOM 1577 C HIS B 130 21.158 10.790 -12.977 1.00 0.00 C ATOM 1578 O HIS B 130 21.133 11.978 -12.654 1.00 0.00 O ATOM 1579 CB HIS B 130 19.115 9.510 -13.657 1.00 0.00 C ATOM 1580 CG HIS B 130 18.950 8.043 -13.907 1.00 0.00 C ATOM 1581 ND1 HIS B 130 17.767 7.482 -14.343 1.00 0.00 N ATOM 1582 CD2 HIS B 130 19.826 7.018 -13.784 1.00 0.00 C ATOM 1583 CE1 HIS B 130 17.923 6.177 -14.475 1.00 0.00 C ATOM 1584 NE2 HIS B 130 19.163 5.871 -14.142 1.00 0.00 N ATOM 0 H HIS B 130 18.945 11.317 -11.550 1.00 0.00 H new ATOM 0 HA HIS B 130 20.547 8.905 -12.175 1.00 0.00 H new ATOM 0 HB2 HIS B 130 18.140 9.946 -13.440 1.00 0.00 H new ATOM 0 HB3 HIS B 130 19.482 9.987 -14.566 1.00 0.00 H new ATOM 0 HD2 HIS B 130 20.855 7.090 -13.464 1.00 0.00 H new ATOM 0 HE1 HIS B 130 17.165 5.479 -14.800 1.00 0.00 H new ATOM 0 HE2 HIS B 130 19.564 4.933 -14.150 1.00 0.00 H new ATOM 1593 N LYS B 131 22.110 10.269 -13.744 1.00 0.00 N ATOM 1594 CA LYS B 131 23.206 11.082 -14.260 1.00 0.00 C ATOM 1595 C LYS B 131 23.675 10.564 -15.616 1.00 0.00 C ATOM 1596 O LYS B 131 23.623 9.336 -15.830 1.00 0.00 O ATOM 1597 CB LYS B 131 24.373 11.090 -13.270 1.00 0.00 C ATOM 1598 CG LYS B 131 25.035 12.450 -13.121 1.00 0.00 C ATOM 1599 CD LYS B 131 25.091 12.890 -11.667 1.00 0.00 C ATOM 1600 CE LYS B 131 26.400 12.481 -11.010 1.00 0.00 C ATOM 1601 NZ LYS B 131 27.391 13.592 -11.006 1.00 0.00 N ATOM 1602 OXT LYS B 131 24.090 11.394 -16.453 1.00 0.00 O ATOM 0 H LYS B 131 22.145 9.288 -14.022 1.00 0.00 H new ATOM 0 HA LYS B 131 22.842 12.101 -14.388 1.00 0.00 H new ATOM 0 HB2 LYS B 131 24.014 10.761 -12.295 1.00 0.00 H new ATOM 0 HB3 LYS B 131 25.120 10.365 -13.595 1.00 0.00 H new ATOM 0 HG2 LYS B 131 26.045 12.410 -13.529 1.00 0.00 H new ATOM 0 HG3 LYS B 131 24.485 13.189 -13.704 1.00 0.00 H new ATOM 0 HD2 LYS B 131 24.976 13.972 -11.609 1.00 0.00 H new ATOM 0 HD3 LYS B 131 24.256 12.451 -11.121 1.00 0.00 H new ATOM 0 HE2 LYS B 131 26.208 12.163 -9.985 1.00 0.00 H new ATOM 0 HE3 LYS B 131 26.818 11.624 -11.537 1.00 0.00 H new ATOM 0 HZ1 LYS B 131 28.269 13.272 -10.550 1.00 0.00 H new ATOM 0 HZ2 LYS B 131 27.594 13.879 -11.985 1.00 0.00 H new ATOM 0 HZ3 LYS B 131 27.003 14.402 -10.481 1.00 0.00 H new TER 1616 LYS B 131 HETATM 1617 CA CA A 132 -8.833 -6.213 -4.657 1.00 0.00 CA HETATM 1618 CA CA A 133 2.415 -6.616 -10.381 1.00 0.00 CA