USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 849 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 46 SER OG : rot -82:sc= 0.773 USER MOD Set 1.2: A 64 HIS : no HE2:sc= -0.991! C(o=-0.22!,f=-5.7!) USER MOD Set 2.1: A 14 SER OG : rot 115:sc= 0.251 USER MOD Set 2.2: A 17 GLN : amide:sc= 0.242 X(o=0.49,f=0.0028) USER MOD Set 3.1: A 10 HIS : no HE2:sc= -8.9! C(o=-11!,f=-11!) USER MOD Set 3.2: A 13 MET CE :methyl 156:sc= -2.12! (180deg=-2.15) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 67:sc= 0.0142 USER MOD Single : A 6 SER OG : rot 30:sc= 0.83 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.248 K(o=-0.25,f=-0.85) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.78! X(o=-1.8!,f=-2.2) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 85:sc= 0.715 USER MOD Single : A 36 SER OG : rot 180:sc= -3.5! USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0305 X(o=-0.031,f=-0.013) USER MOD Single : A 49 SER OG : rot -140:sc= 0.535 USER MOD Single : A 51 GLN : amide:sc= -0.28 K(o=-0.28,f=-1.7!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 52:sc= -0.0209! USER MOD Single : A 63 THR OG1 : rot 169:sc= 0.00169 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -168:sc= -4.37 (180deg=-5.19!) USER MOD Single : A 69 CYS SG : rot 112:sc= 0.00152 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 148:sc= 1.37 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -34:sc= 0.809! USER MOD Single : A 91 HIS :FLIP no HE2:sc= -0.913 F(o=-3.5,f=-0.91) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00311) USER MOD Single : A 95 THR OG1 : rot 180:sc= -1.38 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 TYR OH : rot 40:sc= -0.963 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.806 13.597 -25.186 1.00 0.00 N ATOM 2 CA GLY A 1 -4.039 12.374 -25.016 1.00 0.00 C ATOM 3 C GLY A 1 -3.188 12.433 -23.746 1.00 0.00 C ATOM 4 O GLY A 1 -2.050 12.901 -23.778 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.375 13.532 -26.054 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.436 13.728 -24.369 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.157 14.407 -25.257 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.715 11.520 -24.966 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.396 12.220 -25.882 1.00 0.00 H new ATOM 8 N SER A 2 -3.771 11.953 -22.658 1.00 0.00 N ATOM 9 CA SER A 2 -3.080 11.945 -21.380 1.00 0.00 C ATOM 10 C SER A 2 -2.604 10.529 -21.051 1.00 0.00 C ATOM 11 O SER A 2 -3.413 9.653 -20.749 1.00 0.00 O ATOM 12 CB SER A 2 -3.982 12.475 -20.263 1.00 0.00 C ATOM 13 OG SER A 2 -3.734 13.850 -19.983 1.00 0.00 O ATOM 0 H SER A 2 -4.715 11.567 -22.635 1.00 0.00 H new ATOM 0 HA SER A 2 -2.215 12.604 -21.455 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.026 12.346 -20.548 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.823 11.887 -19.359 1.00 0.00 H new ATOM 0 HG SER A 2 -4.331 14.151 -19.266 1.00 0.00 H new ATOM 19 N SER A 3 -1.294 10.349 -21.120 1.00 0.00 N ATOM 20 CA SER A 3 -0.700 9.054 -20.833 1.00 0.00 C ATOM 21 C SER A 3 -0.327 8.966 -19.352 1.00 0.00 C ATOM 22 O SER A 3 0.588 9.651 -18.897 1.00 0.00 O ATOM 23 CB SER A 3 0.531 8.807 -21.706 1.00 0.00 C ATOM 24 OG SER A 3 0.434 7.585 -22.434 1.00 0.00 O ATOM 0 H SER A 3 -0.626 11.078 -21.371 1.00 0.00 H new ATOM 0 HA SER A 3 -1.435 8.282 -21.062 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.653 9.636 -22.404 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.422 8.785 -21.078 1.00 0.00 H new ATOM 0 HG SER A 3 1.239 7.465 -22.980 1.00 0.00 H new ATOM 30 N GLY A 4 -1.053 8.117 -18.640 1.00 0.00 N ATOM 31 CA GLY A 4 -0.810 7.930 -17.220 1.00 0.00 C ATOM 32 C GLY A 4 0.670 7.652 -16.950 1.00 0.00 C ATOM 33 O GLY A 4 1.289 6.842 -17.639 1.00 0.00 O ATOM 0 H GLY A 4 -1.811 7.550 -19.021 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.122 8.820 -16.674 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.413 7.101 -16.850 1.00 0.00 H new ATOM 37 N SER A 5 1.194 8.337 -15.944 1.00 0.00 N ATOM 38 CA SER A 5 2.590 8.173 -15.574 1.00 0.00 C ATOM 39 C SER A 5 2.729 8.155 -14.051 1.00 0.00 C ATOM 40 O SER A 5 2.966 9.192 -13.433 1.00 0.00 O ATOM 41 CB SER A 5 3.453 9.286 -16.173 1.00 0.00 C ATOM 42 OG SER A 5 3.593 9.152 -17.585 1.00 0.00 O ATOM 0 H SER A 5 0.677 9.007 -15.374 1.00 0.00 H new ATOM 0 HA SER A 5 2.941 7.222 -15.976 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.007 10.254 -15.943 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.439 9.271 -15.708 1.00 0.00 H new ATOM 0 HG SER A 5 2.726 9.307 -18.016 1.00 0.00 H new ATOM 48 N SER A 6 2.574 6.966 -13.488 1.00 0.00 N ATOM 49 CA SER A 6 2.679 6.799 -12.049 1.00 0.00 C ATOM 50 C SER A 6 1.740 7.776 -11.339 1.00 0.00 C ATOM 51 O SER A 6 2.161 8.853 -10.919 1.00 0.00 O ATOM 52 CB SER A 6 4.119 7.007 -11.574 1.00 0.00 C ATOM 53 OG SER A 6 4.629 8.281 -11.958 1.00 0.00 O ATOM 0 H SER A 6 2.376 6.108 -14.003 1.00 0.00 H new ATOM 0 HA SER A 6 2.387 5.779 -11.801 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.160 6.912 -10.489 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.754 6.223 -11.987 1.00 0.00 H new ATOM 0 HG SER A 6 3.892 8.925 -12.014 1.00 0.00 H new ATOM 59 N GLY A 7 0.485 7.366 -11.227 1.00 0.00 N ATOM 60 CA GLY A 7 -0.517 8.192 -10.576 1.00 0.00 C ATOM 61 C GLY A 7 -1.279 7.394 -9.515 1.00 0.00 C ATOM 62 O GLY A 7 -2.490 7.208 -9.624 1.00 0.00 O ATOM 0 H GLY A 7 0.139 6.472 -11.576 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.038 9.055 -10.113 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.216 8.576 -11.319 1.00 0.00 H new ATOM 66 N TRP A 8 -0.538 6.945 -8.513 1.00 0.00 N ATOM 67 CA TRP A 8 -1.128 6.173 -7.433 1.00 0.00 C ATOM 68 C TRP A 8 -1.236 7.080 -6.206 1.00 0.00 C ATOM 69 O TRP A 8 -2.115 6.892 -5.366 1.00 0.00 O ATOM 70 CB TRP A 8 -0.323 4.900 -7.166 1.00 0.00 C ATOM 71 CG TRP A 8 1.101 4.936 -7.724 1.00 0.00 C ATOM 72 CD1 TRP A 8 1.586 4.286 -8.791 1.00 0.00 C ATOM 73 CD2 TRP A 8 2.213 5.690 -7.196 1.00 0.00 C ATOM 74 NE1 TRP A 8 2.923 4.566 -8.990 1.00 0.00 N ATOM 75 CE2 TRP A 8 3.316 5.446 -7.989 1.00 0.00 C ATOM 76 CE3 TRP A 8 2.284 6.549 -6.086 1.00 0.00 C ATOM 77 CZ2 TRP A 8 4.570 6.024 -7.756 1.00 0.00 C ATOM 78 CZ3 TRP A 8 3.544 7.119 -5.867 1.00 0.00 C ATOM 79 CH2 TRP A 8 4.664 6.884 -6.655 1.00 0.00 C ATOM 0 H TRP A 8 0.466 7.101 -8.426 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.128 5.834 -7.704 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.277 4.731 -6.090 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.851 4.051 -7.600 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.004 3.626 -9.417 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.514 4.195 -9.735 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.434 6.753 -5.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 5.419 5.818 -8.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.653 7.788 -5.026 1.00 0.00 H new ATOM 0 HH2 TRP A 8 5.603 7.363 -6.419 1.00 0.00 H new ATOM 90 N TYR A 9 -0.331 8.045 -6.142 1.00 0.00 N ATOM 91 CA TYR A 9 -0.313 8.983 -5.032 1.00 0.00 C ATOM 92 C TYR A 9 -1.655 9.707 -4.905 1.00 0.00 C ATOM 93 O TYR A 9 -1.943 10.627 -5.669 1.00 0.00 O ATOM 94 CB TYR A 9 0.776 10.006 -5.361 1.00 0.00 C ATOM 95 CG TYR A 9 1.126 10.937 -4.198 1.00 0.00 C ATOM 96 CD1 TYR A 9 1.951 10.494 -3.184 1.00 0.00 C ATOM 97 CD2 TYR A 9 0.618 12.219 -4.164 1.00 0.00 C ATOM 98 CE1 TYR A 9 2.281 11.370 -2.090 1.00 0.00 C ATOM 99 CE2 TYR A 9 0.948 13.096 -3.070 1.00 0.00 C ATOM 100 CZ TYR A 9 1.763 12.628 -2.087 1.00 0.00 C ATOM 101 OH TYR A 9 2.075 13.456 -1.054 1.00 0.00 O ATOM 0 H TYR A 9 0.396 8.198 -6.841 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.127 8.462 -4.093 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.676 9.476 -5.672 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.451 10.608 -6.210 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.349 9.490 -3.211 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -0.027 12.565 -4.958 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.925 11.036 -1.290 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.557 14.102 -3.031 1.00 0.00 H new ATOM 0 HH TYR A 9 1.636 14.322 -1.185 1.00 0.00 H new ATOM 111 N HIS A 10 -2.441 9.264 -3.934 1.00 0.00 N ATOM 112 CA HIS A 10 -3.745 9.859 -3.697 1.00 0.00 C ATOM 113 C HIS A 10 -3.580 11.163 -2.915 1.00 0.00 C ATOM 114 O HIS A 10 -4.441 12.040 -2.974 1.00 0.00 O ATOM 115 CB HIS A 10 -4.677 8.864 -3.002 1.00 0.00 C ATOM 116 CG HIS A 10 -5.050 7.674 -3.853 1.00 0.00 C ATOM 117 ND1 HIS A 10 -5.930 7.760 -4.918 1.00 0.00 N ATOM 118 CD2 HIS A 10 -4.654 6.371 -3.785 1.00 0.00 C ATOM 119 CE1 HIS A 10 -6.050 6.557 -5.459 1.00 0.00 C ATOM 120 NE2 HIS A 10 -5.259 5.697 -4.755 1.00 0.00 N ATOM 0 H HIS A 10 -2.200 8.500 -3.303 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.215 10.105 -4.649 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.198 8.509 -2.090 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.587 9.383 -2.702 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -6.405 8.606 -5.233 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.965 5.957 -3.064 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.666 6.302 -6.309 1.00 0.00 H new ATOM 128 N GLY A 11 -2.468 11.251 -2.200 1.00 0.00 N ATOM 129 CA GLY A 11 -2.179 12.433 -1.407 1.00 0.00 C ATOM 130 C GLY A 11 -2.470 12.185 0.074 1.00 0.00 C ATOM 131 O GLY A 11 -1.793 11.383 0.717 1.00 0.00 O ATOM 0 H GLY A 11 -1.756 10.522 -2.154 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -1.133 12.713 -1.534 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.779 13.270 -1.764 1.00 0.00 H new ATOM 135 N HIS A 12 -3.477 12.886 0.573 1.00 0.00 N ATOM 136 CA HIS A 12 -3.865 12.752 1.967 1.00 0.00 C ATOM 137 C HIS A 12 -5.123 11.888 2.068 1.00 0.00 C ATOM 138 O HIS A 12 -6.230 12.410 2.192 1.00 0.00 O ATOM 139 CB HIS A 12 -4.034 14.125 2.619 1.00 0.00 C ATOM 140 CG HIS A 12 -2.968 15.123 2.235 1.00 0.00 C ATOM 141 ND1 HIS A 12 -2.921 15.730 0.992 1.00 0.00 N ATOM 142 CD2 HIS A 12 -1.910 15.614 2.943 1.00 0.00 C ATOM 143 CE1 HIS A 12 -1.878 16.546 0.964 1.00 0.00 C ATOM 144 NE2 HIS A 12 -1.253 16.473 2.174 1.00 0.00 N ATOM 0 H HIS A 12 -4.037 13.549 0.037 1.00 0.00 H new ATOM 0 HA HIS A 12 -3.074 12.247 2.522 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -5.009 14.528 2.346 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -4.031 14.004 3.702 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.651 15.349 3.957 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -1.576 17.161 0.129 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -0.418 16.993 2.443 1.00 0.00 H new ATOM 152 N MET A 13 -4.912 10.581 2.012 1.00 0.00 N ATOM 153 CA MET A 13 -6.016 9.640 2.095 1.00 0.00 C ATOM 154 C MET A 13 -6.039 8.942 3.456 1.00 0.00 C ATOM 155 O MET A 13 -4.989 8.669 4.036 1.00 0.00 O ATOM 156 CB MET A 13 -5.881 8.594 0.987 1.00 0.00 C ATOM 157 CG MET A 13 -7.165 7.774 0.847 1.00 0.00 C ATOM 158 SD MET A 13 -8.352 8.664 -0.145 1.00 0.00 S ATOM 159 CE MET A 13 -8.014 7.953 -1.746 1.00 0.00 C ATOM 0 H MET A 13 -3.992 10.152 1.910 1.00 0.00 H new ATOM 0 HA MET A 13 -6.948 10.191 1.974 1.00 0.00 H new ATOM 0 HB2 MET A 13 -5.656 9.088 0.042 1.00 0.00 H new ATOM 0 HB3 MET A 13 -5.044 7.931 1.208 1.00 0.00 H new ATOM 0 HG2 MET A 13 -6.943 6.811 0.387 1.00 0.00 H new ATOM 0 HG3 MET A 13 -7.584 7.568 1.832 1.00 0.00 H new ATOM 0 HE1 MET A 13 -8.894 8.051 -2.381 1.00 0.00 H new ATOM 0 HE2 MET A 13 -7.175 8.475 -2.206 1.00 0.00 H new ATOM 0 HE3 MET A 13 -7.766 6.898 -1.631 1.00 0.00 H new ATOM 169 N SER A 14 -7.248 8.672 3.927 1.00 0.00 N ATOM 170 CA SER A 14 -7.421 8.010 5.209 1.00 0.00 C ATOM 171 C SER A 14 -7.296 6.495 5.037 1.00 0.00 C ATOM 172 O SER A 14 -7.906 5.916 4.140 1.00 0.00 O ATOM 173 CB SER A 14 -8.773 8.363 5.832 1.00 0.00 C ATOM 174 OG SER A 14 -9.251 9.630 5.387 1.00 0.00 O ATOM 0 H SER A 14 -8.117 8.900 3.444 1.00 0.00 H new ATOM 0 HA SER A 14 -6.638 8.359 5.882 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.501 7.592 5.580 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.681 8.371 6.918 1.00 0.00 H new ATOM 0 HG SER A 14 -10.067 9.505 4.860 1.00 0.00 H new ATOM 180 N GLY A 15 -6.500 5.896 5.911 1.00 0.00 N ATOM 181 CA GLY A 15 -6.287 4.460 5.867 1.00 0.00 C ATOM 182 C GLY A 15 -7.605 3.716 5.641 1.00 0.00 C ATOM 183 O GLY A 15 -7.763 3.016 4.642 1.00 0.00 O ATOM 0 H GLY A 15 -5.995 6.380 6.654 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.587 4.217 5.068 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.833 4.127 6.801 1.00 0.00 H new ATOM 187 N GLY A 16 -8.517 3.894 6.585 1.00 0.00 N ATOM 188 CA GLY A 16 -9.816 3.249 6.501 1.00 0.00 C ATOM 189 C GLY A 16 -10.428 3.426 5.109 1.00 0.00 C ATOM 190 O GLY A 16 -11.072 2.516 4.590 1.00 0.00 O ATOM 0 H GLY A 16 -8.382 4.476 7.412 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.714 2.187 6.725 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.484 3.670 7.252 1.00 0.00 H new ATOM 194 N GLN A 17 -10.204 4.604 4.545 1.00 0.00 N ATOM 195 CA GLN A 17 -10.724 4.911 3.224 1.00 0.00 C ATOM 196 C GLN A 17 -10.133 3.956 2.185 1.00 0.00 C ATOM 197 O GLN A 17 -10.858 3.177 1.569 1.00 0.00 O ATOM 198 CB GLN A 17 -10.445 6.369 2.850 1.00 0.00 C ATOM 199 CG GLN A 17 -11.730 7.080 2.420 1.00 0.00 C ATOM 200 CD GLN A 17 -11.625 8.589 2.651 1.00 0.00 C ATOM 201 OE1 GLN A 17 -11.828 9.091 3.744 1.00 0.00 O ATOM 202 NE2 GLN A 17 -11.298 9.281 1.564 1.00 0.00 N ATOM 0 H GLN A 17 -9.670 5.357 4.979 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.805 4.775 3.240 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.005 6.889 3.701 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.716 6.408 2.041 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.924 6.882 1.366 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.576 6.681 2.980 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.142 8.798 0.680 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.203 10.295 1.615 1.00 0.00 H new ATOM 211 N ALA A 18 -8.821 4.049 2.021 1.00 0.00 N ATOM 212 CA ALA A 18 -8.125 3.203 1.067 1.00 0.00 C ATOM 213 C ALA A 18 -8.753 1.808 1.075 1.00 0.00 C ATOM 214 O ALA A 18 -9.081 1.265 0.022 1.00 0.00 O ATOM 215 CB ALA A 18 -6.633 3.173 1.406 1.00 0.00 C ATOM 0 H ALA A 18 -8.222 4.697 2.533 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.223 3.602 0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.110 2.538 0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.229 4.184 1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.496 2.775 2.412 1.00 0.00 H new ATOM 221 N GLU A 19 -8.901 1.268 2.276 1.00 0.00 N ATOM 222 CA GLU A 19 -9.484 -0.053 2.435 1.00 0.00 C ATOM 223 C GLU A 19 -10.798 -0.152 1.657 1.00 0.00 C ATOM 224 O GLU A 19 -10.979 -1.063 0.851 1.00 0.00 O ATOM 225 CB GLU A 19 -9.697 -0.384 3.914 1.00 0.00 C ATOM 226 CG GLU A 19 -8.556 -1.249 4.452 1.00 0.00 C ATOM 227 CD GLU A 19 -9.083 -2.322 5.407 1.00 0.00 C ATOM 228 OE1 GLU A 19 -10.207 -2.806 5.151 1.00 0.00 O ATOM 229 OE2 GLU A 19 -8.352 -2.633 6.372 1.00 0.00 O ATOM 0 H GLU A 19 -8.627 1.721 3.148 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.788 -0.786 2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.762 0.538 4.491 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.645 -0.907 4.040 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.031 -1.722 3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.832 -0.620 4.970 1.00 0.00 H new ATOM 236 N THR A 20 -11.680 0.800 1.924 1.00 0.00 N ATOM 237 CA THR A 20 -12.971 0.832 1.259 1.00 0.00 C ATOM 238 C THR A 20 -12.795 1.128 -0.232 1.00 0.00 C ATOM 239 O THR A 20 -13.495 0.558 -1.068 1.00 0.00 O ATOM 240 CB THR A 20 -13.850 1.855 1.982 1.00 0.00 C ATOM 241 OG1 THR A 20 -14.426 1.120 3.058 1.00 0.00 O ATOM 242 CG2 THR A 20 -15.053 2.291 1.142 1.00 0.00 C ATOM 0 H THR A 20 -11.526 1.555 2.592 1.00 0.00 H new ATOM 0 HA THR A 20 -13.467 -0.137 1.310 1.00 0.00 H new ATOM 0 HB THR A 20 -13.252 2.729 2.240 1.00 0.00 H new ATOM 0 HG1 THR A 20 -15.010 1.708 3.580 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.643 3.017 1.701 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.704 2.745 0.214 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.670 1.422 0.911 1.00 0.00 H new ATOM 250 N LEU A 21 -11.857 2.018 -0.520 1.00 0.00 N ATOM 251 CA LEU A 21 -11.581 2.396 -1.895 1.00 0.00 C ATOM 252 C LEU A 21 -11.109 1.165 -2.673 1.00 0.00 C ATOM 253 O LEU A 21 -11.717 0.788 -3.673 1.00 0.00 O ATOM 254 CB LEU A 21 -10.597 3.567 -1.942 1.00 0.00 C ATOM 255 CG LEU A 21 -11.173 4.940 -1.591 1.00 0.00 C ATOM 256 CD1 LEU A 21 -10.736 5.377 -0.191 1.00 0.00 C ATOM 257 CD2 LEU A 21 -10.806 5.977 -2.655 1.00 0.00 C ATOM 0 H LEU A 21 -11.278 2.488 0.176 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.489 2.753 -2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.776 3.354 -1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.172 3.619 -2.944 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.260 4.861 -1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.159 6.356 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.089 4.652 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.648 5.434 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.228 6.944 -2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.721 6.060 -2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.207 5.666 -3.620 1.00 0.00 H new ATOM 269 N LEU A 22 -10.029 0.574 -2.183 1.00 0.00 N ATOM 270 CA LEU A 22 -9.468 -0.606 -2.820 1.00 0.00 C ATOM 271 C LEU A 22 -10.558 -1.670 -2.961 1.00 0.00 C ATOM 272 O LEU A 22 -10.713 -2.269 -4.025 1.00 0.00 O ATOM 273 CB LEU A 22 -8.232 -1.089 -2.059 1.00 0.00 C ATOM 274 CG LEU A 22 -6.959 -0.263 -2.255 1.00 0.00 C ATOM 275 CD1 LEU A 22 -6.035 -0.385 -1.041 1.00 0.00 C ATOM 276 CD2 LEU A 22 -6.250 -0.648 -3.555 1.00 0.00 C ATOM 0 H LEU A 22 -9.528 0.890 -1.353 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.122 -0.368 -3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.469 -1.108 -0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.024 -2.117 -2.358 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.242 0.786 -2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.138 0.211 -1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.553 -0.024 -0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.756 -1.429 -0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.349 -0.046 -3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.980 -1.704 -3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.916 -0.469 -4.399 1.00 0.00 H new ATOM 288 N GLN A 23 -11.287 -1.874 -1.873 1.00 0.00 N ATOM 289 CA GLN A 23 -12.358 -2.855 -1.862 1.00 0.00 C ATOM 290 C GLN A 23 -13.443 -2.468 -2.869 1.00 0.00 C ATOM 291 O GLN A 23 -13.860 -3.289 -3.684 1.00 0.00 O ATOM 292 CB GLN A 23 -12.944 -3.012 -0.458 1.00 0.00 C ATOM 293 CG GLN A 23 -12.074 -3.934 0.399 1.00 0.00 C ATOM 294 CD GLN A 23 -12.590 -3.993 1.839 1.00 0.00 C ATOM 295 OE1 GLN A 23 -13.294 -3.115 2.309 1.00 0.00 O ATOM 296 NE2 GLN A 23 -12.201 -5.073 2.509 1.00 0.00 N ATOM 0 H GLN A 23 -11.156 -1.376 -0.993 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.944 -3.819 -2.157 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.023 -2.035 0.018 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -13.954 -3.417 -0.525 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -12.067 -4.936 -0.030 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -11.044 -3.578 0.392 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.611 -5.770 2.055 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.492 -5.205 3.478 1.00 0.00 H new ATOM 305 N ALA A 24 -13.870 -1.217 -2.778 1.00 0.00 N ATOM 306 CA ALA A 24 -14.898 -0.710 -3.671 1.00 0.00 C ATOM 307 C ALA A 24 -14.570 -1.124 -5.107 1.00 0.00 C ATOM 308 O ALA A 24 -15.468 -1.440 -5.886 1.00 0.00 O ATOM 309 CB ALA A 24 -15.010 0.807 -3.513 1.00 0.00 C ATOM 0 H ALA A 24 -13.523 -0.539 -2.099 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.869 -1.136 -3.419 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.781 1.187 -4.183 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.274 1.047 -2.483 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.055 1.270 -3.760 1.00 0.00 H new ATOM 315 N LYS A 25 -13.281 -1.109 -5.413 1.00 0.00 N ATOM 316 CA LYS A 25 -12.823 -1.479 -6.742 1.00 0.00 C ATOM 317 C LYS A 25 -12.861 -3.002 -6.884 1.00 0.00 C ATOM 318 O LYS A 25 -13.537 -3.530 -7.766 1.00 0.00 O ATOM 319 CB LYS A 25 -11.449 -0.868 -7.024 1.00 0.00 C ATOM 320 CG LYS A 25 -11.475 -0.026 -8.301 1.00 0.00 C ATOM 321 CD LYS A 25 -12.512 1.095 -8.198 1.00 0.00 C ATOM 322 CE LYS A 25 -13.604 0.930 -9.257 1.00 0.00 C ATOM 323 NZ LYS A 25 -13.797 2.194 -10.002 1.00 0.00 N ATOM 0 H LYS A 25 -12.539 -0.847 -4.764 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.489 -1.071 -7.502 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.143 -0.248 -6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.708 -1.661 -7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.488 0.402 -8.479 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.706 -0.662 -9.156 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.960 1.091 -7.204 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.022 2.061 -8.323 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.332 0.132 -9.947 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.539 0.635 -8.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.541 2.065 -10.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.078 2.947 -9.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.908 2.459 -10.472 1.00 0.00 H new ATOM 337 N GLY A 26 -12.126 -3.664 -6.003 1.00 0.00 N ATOM 338 CA GLY A 26 -12.067 -5.116 -6.020 1.00 0.00 C ATOM 339 C GLY A 26 -10.801 -5.605 -6.728 1.00 0.00 C ATOM 340 O GLY A 26 -10.265 -6.659 -6.390 1.00 0.00 O ATOM 0 H GLY A 26 -11.567 -3.222 -5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.087 -5.496 -4.999 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.947 -5.513 -6.525 1.00 0.00 H new ATOM 344 N GLU A 27 -10.362 -4.816 -7.697 1.00 0.00 N ATOM 345 CA GLU A 27 -9.170 -5.156 -8.456 1.00 0.00 C ATOM 346 C GLU A 27 -8.115 -5.777 -7.537 1.00 0.00 C ATOM 347 O GLU A 27 -7.586 -5.107 -6.652 1.00 0.00 O ATOM 348 CB GLU A 27 -8.612 -3.929 -9.179 1.00 0.00 C ATOM 349 CG GLU A 27 -9.549 -3.483 -10.304 1.00 0.00 C ATOM 350 CD GLU A 27 -9.309 -2.016 -10.668 1.00 0.00 C ATOM 351 OE1 GLU A 27 -8.168 -1.556 -10.447 1.00 0.00 O ATOM 352 OE2 GLU A 27 -10.273 -1.388 -11.158 1.00 0.00 O ATOM 0 H GLU A 27 -10.810 -3.943 -7.974 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.443 -5.891 -9.214 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.477 -3.114 -8.468 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.629 -4.160 -9.589 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.393 -4.110 -11.182 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.585 -3.620 -9.995 1.00 0.00 H new ATOM 359 N PRO A 28 -7.835 -7.084 -7.786 1.00 0.00 N ATOM 360 CA PRO A 28 -6.853 -7.803 -6.992 1.00 0.00 C ATOM 361 C PRO A 28 -5.430 -7.390 -7.373 1.00 0.00 C ATOM 362 O PRO A 28 -5.114 -7.257 -8.554 1.00 0.00 O ATOM 363 CB PRO A 28 -7.135 -9.274 -7.255 1.00 0.00 C ATOM 364 CG PRO A 28 -7.952 -9.319 -8.535 1.00 0.00 C ATOM 365 CD PRO A 28 -8.443 -7.910 -8.825 1.00 0.00 C ATOM 0 HA PRO A 28 -6.929 -7.580 -5.928 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.207 -9.836 -7.364 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.683 -9.721 -6.426 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.346 -9.690 -9.362 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.795 -10.002 -8.426 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.140 -7.582 -9.819 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.531 -7.855 -8.789 1.00 0.00 H new ATOM 373 N TRP A 29 -4.610 -7.198 -6.350 1.00 0.00 N ATOM 374 CA TRP A 29 -3.228 -6.802 -6.564 1.00 0.00 C ATOM 375 C TRP A 29 -3.217 -5.328 -6.976 1.00 0.00 C ATOM 376 O TRP A 29 -2.616 -4.968 -7.987 1.00 0.00 O ATOM 377 CB TRP A 29 -2.548 -7.714 -7.586 1.00 0.00 C ATOM 378 CG TRP A 29 -2.664 -9.205 -7.264 1.00 0.00 C ATOM 379 CD1 TRP A 29 -3.082 -10.193 -8.067 1.00 0.00 C ATOM 380 CD2 TRP A 29 -2.337 -9.842 -6.010 1.00 0.00 C ATOM 381 NE1 TRP A 29 -3.050 -11.415 -7.426 1.00 0.00 N ATOM 382 CE2 TRP A 29 -2.582 -11.194 -6.135 1.00 0.00 C ATOM 383 CE3 TRP A 29 -1.851 -9.293 -4.811 1.00 0.00 C ATOM 384 CZ2 TRP A 29 -2.371 -12.110 -5.098 1.00 0.00 C ATOM 385 CZ3 TRP A 29 -1.645 -10.222 -3.784 1.00 0.00 C ATOM 386 CH2 TRP A 29 -1.887 -11.586 -3.894 1.00 0.00 C ATOM 0 H TRP A 29 -4.876 -7.309 -5.371 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.649 -6.911 -5.647 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.983 -7.530 -8.568 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.493 -7.448 -7.650 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.404 -10.051 -9.088 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.320 -12.314 -7.825 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.652 -8.238 -4.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.571 -13.164 -5.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.272 -9.853 -2.840 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.702 -12.239 -3.054 1.00 0.00 H new ATOM 397 N THR A 30 -3.887 -4.517 -6.172 1.00 0.00 N ATOM 398 CA THR A 30 -3.962 -3.091 -6.440 1.00 0.00 C ATOM 399 C THR A 30 -3.373 -2.297 -5.272 1.00 0.00 C ATOM 400 O THR A 30 -3.877 -2.368 -4.152 1.00 0.00 O ATOM 401 CB THR A 30 -5.421 -2.741 -6.739 1.00 0.00 C ATOM 402 OG1 THR A 30 -5.843 -3.757 -7.644 1.00 0.00 O ATOM 403 CG2 THR A 30 -5.561 -1.446 -7.541 1.00 0.00 C ATOM 0 H THR A 30 -4.383 -4.820 -5.334 1.00 0.00 H new ATOM 0 HA THR A 30 -3.364 -2.821 -7.310 1.00 0.00 H new ATOM 0 HB THR A 30 -5.971 -2.648 -5.802 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.131 -4.546 -7.139 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.616 -1.245 -7.726 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.127 -0.620 -6.977 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.040 -1.549 -8.493 1.00 0.00 H new ATOM 411 N PHE A 31 -2.316 -1.558 -5.574 1.00 0.00 N ATOM 412 CA PHE A 31 -1.654 -0.751 -4.563 1.00 0.00 C ATOM 413 C PHE A 31 -1.932 0.738 -4.781 1.00 0.00 C ATOM 414 O PHE A 31 -2.461 1.129 -5.820 1.00 0.00 O ATOM 415 CB PHE A 31 -0.151 -1.002 -4.704 1.00 0.00 C ATOM 416 CG PHE A 31 0.526 -0.146 -5.776 1.00 0.00 C ATOM 417 CD1 PHE A 31 0.398 -0.474 -7.089 1.00 0.00 C ATOM 418 CD2 PHE A 31 1.254 0.944 -5.415 1.00 0.00 C ATOM 419 CE1 PHE A 31 1.026 0.321 -8.085 1.00 0.00 C ATOM 420 CE2 PHE A 31 1.882 1.739 -6.410 1.00 0.00 C ATOM 421 CZ PHE A 31 1.755 1.411 -7.724 1.00 0.00 C ATOM 0 H PHE A 31 -1.901 -1.501 -6.504 1.00 0.00 H new ATOM 0 HA PHE A 31 -2.021 -1.021 -3.573 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.330 -0.812 -3.745 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.011 -2.054 -4.938 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.181 -1.339 -7.375 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.355 1.205 -4.372 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.925 0.060 -9.128 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.461 2.605 -6.123 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.233 2.016 -8.480 1.00 0.00 H new ATOM 431 N LEU A 32 -1.563 1.528 -3.783 1.00 0.00 N ATOM 432 CA LEU A 32 -1.767 2.965 -3.852 1.00 0.00 C ATOM 433 C LEU A 32 -0.974 3.643 -2.733 1.00 0.00 C ATOM 434 O LEU A 32 -0.916 3.136 -1.614 1.00 0.00 O ATOM 435 CB LEU A 32 -3.260 3.296 -3.835 1.00 0.00 C ATOM 436 CG LEU A 32 -3.996 3.007 -2.525 1.00 0.00 C ATOM 437 CD1 LEU A 32 -3.645 4.046 -1.458 1.00 0.00 C ATOM 438 CD2 LEU A 32 -5.506 2.909 -2.755 1.00 0.00 C ATOM 0 H LEU A 32 -1.124 1.200 -2.923 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.388 3.358 -4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.380 4.353 -4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.746 2.734 -4.633 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.663 2.038 -2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.181 3.817 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.572 4.024 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.931 5.038 -1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.006 2.703 -1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.874 3.851 -3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.715 2.103 -3.459 1.00 0.00 H new ATOM 450 N VAL A 33 -0.382 4.778 -3.074 1.00 0.00 N ATOM 451 CA VAL A 33 0.405 5.530 -2.112 1.00 0.00 C ATOM 452 C VAL A 33 -0.430 6.695 -1.575 1.00 0.00 C ATOM 453 O VAL A 33 -0.994 7.467 -2.349 1.00 0.00 O ATOM 454 CB VAL A 33 1.720 5.981 -2.750 1.00 0.00 C ATOM 455 CG1 VAL A 33 2.724 6.425 -1.683 1.00 0.00 C ATOM 456 CG2 VAL A 33 2.309 4.878 -3.631 1.00 0.00 C ATOM 0 H VAL A 33 -0.432 5.195 -4.003 1.00 0.00 H new ATOM 0 HA VAL A 33 0.671 4.902 -1.262 1.00 0.00 H new ATOM 0 HB VAL A 33 1.506 6.840 -3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.650 6.741 -2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.308 7.257 -1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.930 5.594 -1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.243 5.225 -4.072 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.501 3.992 -3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.603 4.630 -4.424 1.00 0.00 H new ATOM 466 N ARG A 34 -0.482 6.784 -0.255 1.00 0.00 N ATOM 467 CA ARG A 34 -1.239 7.842 0.394 1.00 0.00 C ATOM 468 C ARG A 34 -0.549 8.269 1.691 1.00 0.00 C ATOM 469 O ARG A 34 0.013 7.438 2.403 1.00 0.00 O ATOM 470 CB ARG A 34 -2.665 7.385 0.709 1.00 0.00 C ATOM 471 CG ARG A 34 -2.690 5.912 1.124 1.00 0.00 C ATOM 472 CD ARG A 34 -4.048 5.533 1.718 1.00 0.00 C ATOM 473 NE ARG A 34 -4.202 6.142 3.058 1.00 0.00 N ATOM 474 CZ ARG A 34 -3.796 5.564 4.196 1.00 0.00 C ATOM 475 NH1 ARG A 34 -3.209 4.360 4.165 1.00 0.00 N ATOM 476 NH2 ARG A 34 -3.977 6.190 5.367 1.00 0.00 N ATOM 0 H ARG A 34 -0.013 6.142 0.383 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.284 8.687 -0.293 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.079 7.999 1.509 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.299 7.531 -0.166 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.479 5.283 0.259 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.904 5.723 1.855 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.849 5.872 1.061 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.133 4.449 1.790 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.645 7.059 3.119 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.071 3.883 3.274 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.900 3.921 5.032 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.424 7.107 5.392 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.668 5.750 6.234 1.00 0.00 H new ATOM 490 N GLU A 35 -0.614 9.565 1.960 1.00 0.00 N ATOM 491 CA GLU A 35 -0.003 10.112 3.159 1.00 0.00 C ATOM 492 C GLU A 35 -0.715 9.585 4.406 1.00 0.00 C ATOM 493 O GLU A 35 -1.941 9.487 4.430 1.00 0.00 O ATOM 494 CB GLU A 35 -0.010 11.642 3.129 1.00 0.00 C ATOM 495 CG GLU A 35 1.304 12.208 3.671 1.00 0.00 C ATOM 496 CD GLU A 35 1.126 13.652 4.143 1.00 0.00 C ATOM 497 OE1 GLU A 35 0.250 13.862 5.010 1.00 0.00 O ATOM 498 OE2 GLU A 35 1.869 14.514 3.625 1.00 0.00 O ATOM 0 H GLU A 35 -1.081 10.252 1.368 1.00 0.00 H new ATOM 0 HA GLU A 35 1.037 9.787 3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.165 11.988 2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.844 12.017 3.723 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.655 11.592 4.499 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.069 12.167 2.896 1.00 0.00 H new ATOM 505 N SER A 36 0.083 9.260 5.412 1.00 0.00 N ATOM 506 CA SER A 36 -0.455 8.746 6.659 1.00 0.00 C ATOM 507 C SER A 36 -0.963 9.900 7.526 1.00 0.00 C ATOM 508 O SER A 36 -0.187 10.764 7.932 1.00 0.00 O ATOM 509 CB SER A 36 0.595 7.933 7.419 1.00 0.00 C ATOM 510 OG SER A 36 0.158 6.601 7.674 1.00 0.00 O ATOM 0 H SER A 36 1.099 9.343 5.388 1.00 0.00 H new ATOM 0 HA SER A 36 -1.288 8.083 6.424 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.520 7.907 6.843 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.822 8.427 8.364 1.00 0.00 H new ATOM 0 HG SER A 36 0.857 6.115 8.159 1.00 0.00 H new ATOM 516 N LEU A 37 -2.262 9.878 7.784 1.00 0.00 N ATOM 517 CA LEU A 37 -2.882 10.912 8.594 1.00 0.00 C ATOM 518 C LEU A 37 -2.441 10.745 10.050 1.00 0.00 C ATOM 519 O LEU A 37 -1.998 11.703 10.681 1.00 0.00 O ATOM 520 CB LEU A 37 -4.400 10.901 8.407 1.00 0.00 C ATOM 521 CG LEU A 37 -4.913 11.403 7.055 1.00 0.00 C ATOM 522 CD1 LEU A 37 -6.381 11.023 6.850 1.00 0.00 C ATOM 523 CD2 LEU A 37 -4.684 12.908 6.907 1.00 0.00 C ATOM 0 H LEU A 37 -2.903 9.160 7.446 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.551 11.899 8.271 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.757 9.881 8.553 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.847 11.511 9.192 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.341 10.911 6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.720 11.392 5.882 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.484 9.938 6.882 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.986 11.468 7.640 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.057 13.239 5.938 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.214 13.436 7.700 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.618 13.122 6.978 1.00 0.00 H new ATOM 535 N SER A 38 -2.578 9.522 10.540 1.00 0.00 N ATOM 536 CA SER A 38 -2.199 9.218 11.910 1.00 0.00 C ATOM 537 C SER A 38 -0.694 9.420 12.093 1.00 0.00 C ATOM 538 O SER A 38 -0.238 9.761 13.184 1.00 0.00 O ATOM 539 CB SER A 38 -2.593 7.788 12.285 1.00 0.00 C ATOM 540 OG SER A 38 -3.936 7.709 12.754 1.00 0.00 O ATOM 0 H SER A 38 -2.946 8.730 10.013 1.00 0.00 H new ATOM 0 HA SER A 38 -2.733 9.899 12.573 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.474 7.140 11.417 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.918 7.416 13.056 1.00 0.00 H new ATOM 0 HG SER A 38 -4.149 6.780 12.981 1.00 0.00 H new ATOM 546 N GLN A 39 0.037 9.200 11.010 1.00 0.00 N ATOM 547 CA GLN A 39 1.482 9.353 11.038 1.00 0.00 C ATOM 548 C GLN A 39 1.924 10.399 10.013 1.00 0.00 C ATOM 549 O GLN A 39 2.212 10.066 8.865 1.00 0.00 O ATOM 550 CB GLN A 39 2.180 8.015 10.792 1.00 0.00 C ATOM 551 CG GLN A 39 2.695 7.415 12.102 1.00 0.00 C ATOM 552 CD GLN A 39 1.537 7.079 13.044 1.00 0.00 C ATOM 553 OE1 GLN A 39 0.607 6.371 12.697 1.00 0.00 O ATOM 554 NE2 GLN A 39 1.646 7.626 14.251 1.00 0.00 N ATOM 0 H GLN A 39 -0.344 8.917 10.107 1.00 0.00 H new ATOM 0 HA GLN A 39 1.772 9.699 12.030 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.486 7.321 10.318 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.011 8.156 10.101 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.271 6.514 11.892 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.371 8.119 12.588 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.452 8.209 14.476 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.924 7.462 14.952 1.00 0.00 H new ATOM 563 N PRO A 40 1.965 11.677 10.477 1.00 0.00 N ATOM 564 CA PRO A 40 2.368 12.774 9.613 1.00 0.00 C ATOM 565 C PRO A 40 3.881 12.770 9.391 1.00 0.00 C ATOM 566 O PRO A 40 4.649 13.037 10.314 1.00 0.00 O ATOM 567 CB PRO A 40 1.874 14.029 10.315 1.00 0.00 C ATOM 568 CG PRO A 40 1.628 13.628 11.761 1.00 0.00 C ATOM 569 CD PRO A 40 1.630 12.110 11.831 1.00 0.00 C ATOM 0 HA PRO A 40 1.943 12.699 8.612 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.612 14.828 10.252 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.960 14.402 9.852 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.402 14.041 12.408 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.675 14.025 12.110 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.360 11.748 12.555 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.658 11.727 12.140 1.00 0.00 H new ATOM 577 N GLY A 41 4.266 12.463 8.161 1.00 0.00 N ATOM 578 CA GLY A 41 5.674 12.421 7.805 1.00 0.00 C ATOM 579 C GLY A 41 6.027 11.097 7.124 1.00 0.00 C ATOM 580 O GLY A 41 7.103 10.962 6.544 1.00 0.00 O ATOM 0 H GLY A 41 3.627 12.241 7.398 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.909 13.251 7.139 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.283 12.548 8.700 1.00 0.00 H new ATOM 584 N ASP A 42 5.101 10.154 7.218 1.00 0.00 N ATOM 585 CA ASP A 42 5.302 8.846 6.618 1.00 0.00 C ATOM 586 C ASP A 42 4.200 8.587 5.589 1.00 0.00 C ATOM 587 O ASP A 42 3.341 9.439 5.367 1.00 0.00 O ATOM 588 CB ASP A 42 5.233 7.740 7.673 1.00 0.00 C ATOM 589 CG ASP A 42 6.397 7.719 8.665 1.00 0.00 C ATOM 590 OD1 ASP A 42 6.647 8.784 9.270 1.00 0.00 O ATOM 591 OD2 ASP A 42 7.011 6.638 8.796 1.00 0.00 O ATOM 0 H ASP A 42 4.210 10.270 7.701 1.00 0.00 H new ATOM 0 HA ASP A 42 6.286 8.837 6.150 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.302 7.848 8.230 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.191 6.776 7.165 1.00 0.00 H new ATOM 596 N PHE A 43 4.260 7.408 4.988 1.00 0.00 N ATOM 597 CA PHE A 43 3.278 7.026 3.988 1.00 0.00 C ATOM 598 C PHE A 43 2.830 5.576 4.184 1.00 0.00 C ATOM 599 O PHE A 43 3.550 4.776 4.779 1.00 0.00 O ATOM 600 CB PHE A 43 3.955 7.158 2.623 1.00 0.00 C ATOM 601 CG PHE A 43 4.120 8.602 2.146 1.00 0.00 C ATOM 602 CD1 PHE A 43 3.049 9.282 1.654 1.00 0.00 C ATOM 603 CD2 PHE A 43 5.336 9.206 2.214 1.00 0.00 C ATOM 604 CE1 PHE A 43 3.202 10.623 1.212 1.00 0.00 C ATOM 605 CE2 PHE A 43 5.489 10.547 1.772 1.00 0.00 C ATOM 606 CZ PHE A 43 4.419 11.227 1.280 1.00 0.00 C ATOM 0 H PHE A 43 4.974 6.704 5.175 1.00 0.00 H new ATOM 0 HA PHE A 43 2.398 7.664 4.069 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.937 6.687 2.669 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.372 6.607 1.885 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.083 8.802 1.600 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.186 8.666 2.604 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.352 11.163 0.822 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.455 11.027 1.827 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.535 12.247 0.943 1.00 0.00 H new ATOM 616 N VAL A 44 1.643 5.283 3.673 1.00 0.00 N ATOM 617 CA VAL A 44 1.091 3.944 3.785 1.00 0.00 C ATOM 618 C VAL A 44 0.901 3.356 2.385 1.00 0.00 C ATOM 619 O VAL A 44 0.579 4.079 1.443 1.00 0.00 O ATOM 620 CB VAL A 44 -0.204 3.978 4.599 1.00 0.00 C ATOM 621 CG1 VAL A 44 -0.796 2.575 4.748 1.00 0.00 C ATOM 622 CG2 VAL A 44 0.025 4.624 5.967 1.00 0.00 C ATOM 0 H VAL A 44 1.049 5.950 3.181 1.00 0.00 H new ATOM 0 HA VAL A 44 1.780 3.291 4.321 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.924 4.589 4.056 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.716 2.628 5.331 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.014 2.166 3.762 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.080 1.930 5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.911 4.636 6.525 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.770 4.051 6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.380 5.646 5.832 1.00 0.00 H new ATOM 632 N LEU A 45 1.109 2.051 2.293 1.00 0.00 N ATOM 633 CA LEU A 45 0.965 1.358 1.023 1.00 0.00 C ATOM 634 C LEU A 45 -0.115 0.283 1.154 1.00 0.00 C ATOM 635 O LEU A 45 0.156 -0.820 1.627 1.00 0.00 O ATOM 636 CB LEU A 45 2.317 0.819 0.551 1.00 0.00 C ATOM 637 CG LEU A 45 2.281 -0.109 -0.665 1.00 0.00 C ATOM 638 CD1 LEU A 45 1.418 0.483 -1.781 1.00 0.00 C ATOM 639 CD2 LEU A 45 3.695 -0.437 -1.147 1.00 0.00 C ATOM 0 H LEU A 45 1.376 1.455 3.076 1.00 0.00 H new ATOM 0 HA LEU A 45 0.635 2.048 0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.962 1.666 0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.781 0.283 1.379 1.00 0.00 H new ATOM 0 HG LEU A 45 1.818 -1.049 -0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.409 -0.196 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.400 0.623 -1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.829 1.445 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.640 -1.098 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.207 0.484 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.247 -0.931 -0.347 1.00 0.00 H new ATOM 651 N SER A 46 -1.317 0.641 0.726 1.00 0.00 N ATOM 652 CA SER A 46 -2.439 -0.280 0.790 1.00 0.00 C ATOM 653 C SER A 46 -2.547 -1.064 -0.520 1.00 0.00 C ATOM 654 O SER A 46 -2.878 -0.498 -1.561 1.00 0.00 O ATOM 655 CB SER A 46 -3.746 0.464 1.072 1.00 0.00 C ATOM 656 OG SER A 46 -3.579 1.482 2.055 1.00 0.00 O ATOM 0 H SER A 46 -1.538 1.556 0.334 1.00 0.00 H new ATOM 0 HA SER A 46 -2.264 -0.976 1.610 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.116 0.909 0.148 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.502 -0.245 1.409 1.00 0.00 H new ATOM 0 HG SER A 46 -3.612 1.082 2.949 1.00 0.00 H new ATOM 662 N VAL A 47 -2.261 -2.354 -0.425 1.00 0.00 N ATOM 663 CA VAL A 47 -2.322 -3.221 -1.589 1.00 0.00 C ATOM 664 C VAL A 47 -3.463 -4.225 -1.413 1.00 0.00 C ATOM 665 O VAL A 47 -3.576 -4.864 -0.368 1.00 0.00 O ATOM 666 CB VAL A 47 -0.965 -3.892 -1.813 1.00 0.00 C ATOM 667 CG1 VAL A 47 -1.028 -4.880 -2.980 1.00 0.00 C ATOM 668 CG2 VAL A 47 0.132 -2.849 -2.037 1.00 0.00 C ATOM 0 H VAL A 47 -1.986 -2.820 0.440 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.535 -2.641 -2.487 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.716 -4.453 -0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.051 -5.343 -3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.768 -5.651 -2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.310 -4.351 -3.890 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.086 -3.352 -2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.110 -2.249 -2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.203 -2.202 -1.163 1.00 0.00 H new ATOM 678 N LEU A 48 -4.280 -4.332 -2.451 1.00 0.00 N ATOM 679 CA LEU A 48 -5.408 -5.247 -2.424 1.00 0.00 C ATOM 680 C LEU A 48 -4.928 -6.653 -2.787 1.00 0.00 C ATOM 681 O LEU A 48 -4.311 -6.852 -3.832 1.00 0.00 O ATOM 682 CB LEU A 48 -6.537 -4.732 -3.320 1.00 0.00 C ATOM 683 CG LEU A 48 -7.926 -5.313 -3.048 1.00 0.00 C ATOM 684 CD1 LEU A 48 -8.424 -4.916 -1.657 1.00 0.00 C ATOM 685 CD2 LEU A 48 -8.913 -4.910 -4.146 1.00 0.00 C ATOM 0 H LEU A 48 -4.183 -3.800 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.829 -5.303 -1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.591 -3.648 -3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.275 -4.940 -4.357 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.851 -6.400 -3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.413 -5.342 -1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.734 -5.293 -0.902 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.480 -3.830 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.893 -5.336 -3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.990 -3.823 -4.185 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.560 -5.283 -5.107 1.00 0.00 H new ATOM 697 N SER A 49 -5.228 -7.593 -1.902 1.00 0.00 N ATOM 698 CA SER A 49 -4.834 -8.975 -2.116 1.00 0.00 C ATOM 699 C SER A 49 -5.963 -9.740 -2.811 1.00 0.00 C ATOM 700 O SER A 49 -7.110 -9.296 -2.809 1.00 0.00 O ATOM 701 CB SER A 49 -4.467 -9.655 -0.795 1.00 0.00 C ATOM 702 OG SER A 49 -5.426 -10.639 -0.417 1.00 0.00 O ATOM 0 H SER A 49 -5.739 -7.424 -1.036 1.00 0.00 H new ATOM 0 HA SER A 49 -3.951 -8.983 -2.755 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.486 -10.121 -0.887 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.390 -8.903 -0.009 1.00 0.00 H new ATOM 0 HG SER A 49 -5.576 -10.595 0.550 1.00 0.00 H new ATOM 708 N ASP A 50 -5.599 -10.876 -3.387 1.00 0.00 N ATOM 709 CA ASP A 50 -6.567 -11.706 -4.083 1.00 0.00 C ATOM 710 C ASP A 50 -7.143 -12.736 -3.110 1.00 0.00 C ATOM 711 O ASP A 50 -7.645 -13.778 -3.528 1.00 0.00 O ATOM 712 CB ASP A 50 -5.912 -12.463 -5.240 1.00 0.00 C ATOM 713 CG ASP A 50 -5.210 -13.764 -4.847 1.00 0.00 C ATOM 714 OD1 ASP A 50 -4.861 -13.882 -3.652 1.00 0.00 O ATOM 715 OD2 ASP A 50 -5.038 -14.612 -5.749 1.00 0.00 O ATOM 0 H ASP A 50 -4.647 -11.241 -3.386 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.349 -11.056 -4.474 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.676 -12.690 -5.984 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.186 -11.806 -5.719 1.00 0.00 H new ATOM 720 N GLN A 51 -7.051 -12.409 -1.829 1.00 0.00 N ATOM 721 CA GLN A 51 -7.557 -13.293 -0.793 1.00 0.00 C ATOM 722 C GLN A 51 -8.780 -12.672 -0.116 1.00 0.00 C ATOM 723 O GLN A 51 -8.662 -11.675 0.595 1.00 0.00 O ATOM 724 CB GLN A 51 -6.468 -13.615 0.232 1.00 0.00 C ATOM 725 CG GLN A 51 -5.352 -14.452 -0.397 1.00 0.00 C ATOM 726 CD GLN A 51 -5.412 -15.901 0.090 1.00 0.00 C ATOM 727 OE1 GLN A 51 -5.894 -16.200 1.170 1.00 0.00 O ATOM 728 NE2 GLN A 51 -4.897 -16.781 -0.764 1.00 0.00 N ATOM 0 H GLN A 51 -6.634 -11.544 -1.485 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.861 -14.230 -1.259 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.053 -12.689 0.630 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -6.903 -14.156 1.072 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.441 -14.426 -1.483 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.383 -14.020 -0.146 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.509 -16.463 -1.652 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.890 -17.774 -0.531 1.00 0.00 H new ATOM 737 N PRO A 52 -9.958 -13.303 -0.368 1.00 0.00 N ATOM 738 CA PRO A 52 -11.203 -12.823 0.209 1.00 0.00 C ATOM 739 C PRO A 52 -11.290 -13.176 1.695 1.00 0.00 C ATOM 740 O PRO A 52 -10.430 -13.880 2.221 1.00 0.00 O ATOM 741 CB PRO A 52 -12.298 -13.472 -0.622 1.00 0.00 C ATOM 742 CG PRO A 52 -11.643 -14.647 -1.329 1.00 0.00 C ATOM 743 CD PRO A 52 -10.136 -14.486 -1.205 1.00 0.00 C ATOM 0 HA PRO A 52 -11.290 -11.737 0.178 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -13.122 -13.806 0.009 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.713 -12.766 -1.341 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.964 -15.588 -0.883 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.939 -14.674 -2.378 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.680 -15.365 -0.750 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.670 -14.354 -2.182 1.00 0.00 H new ATOM 751 N LYS A 53 -12.339 -12.672 2.330 1.00 0.00 N ATOM 752 CA LYS A 53 -12.550 -12.926 3.745 1.00 0.00 C ATOM 753 C LYS A 53 -13.488 -14.123 3.909 1.00 0.00 C ATOM 754 O LYS A 53 -13.244 -14.999 4.738 1.00 0.00 O ATOM 755 CB LYS A 53 -13.040 -11.659 4.449 1.00 0.00 C ATOM 756 CG LYS A 53 -12.038 -10.516 4.281 1.00 0.00 C ATOM 757 CD LYS A 53 -12.742 -9.158 4.329 1.00 0.00 C ATOM 758 CE LYS A 53 -13.170 -8.812 5.757 1.00 0.00 C ATOM 759 NZ LYS A 53 -12.214 -7.862 6.368 1.00 0.00 N ATOM 0 H LYS A 53 -13.051 -12.089 1.890 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.610 -13.189 4.230 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -14.007 -11.363 4.041 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.190 -11.863 5.509 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.286 -10.568 5.069 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.513 -10.624 3.332 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.075 -8.385 3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.616 -9.174 3.678 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.169 -8.377 5.748 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.223 -9.720 6.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.519 -7.638 7.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.267 -8.291 6.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.183 -6.989 5.804 1.00 0.00 H new ATOM 773 N ALA A 54 -14.542 -14.123 3.105 1.00 0.00 N ATOM 774 CA ALA A 54 -15.518 -15.199 3.151 1.00 0.00 C ATOM 775 C ALA A 54 -15.466 -15.985 1.840 1.00 0.00 C ATOM 776 O ALA A 54 -15.797 -17.169 1.808 1.00 0.00 O ATOM 777 CB ALA A 54 -16.906 -14.618 3.428 1.00 0.00 C ATOM 0 H ALA A 54 -14.741 -13.395 2.419 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.287 -15.892 3.960 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.638 -15.425 3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.897 -14.095 4.384 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -17.173 -13.920 2.635 1.00 0.00 H new ATOM 783 N GLY A 55 -15.048 -15.294 0.789 1.00 0.00 N ATOM 784 CA GLY A 55 -14.949 -15.913 -0.522 1.00 0.00 C ATOM 785 C GLY A 55 -15.631 -15.053 -1.587 1.00 0.00 C ATOM 786 O GLY A 55 -15.386 -13.850 -1.670 1.00 0.00 O ATOM 0 H GLY A 55 -14.774 -14.312 0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.900 -16.056 -0.782 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.409 -16.901 -0.497 1.00 0.00 H new ATOM 790 N PRO A 56 -16.496 -15.720 -2.398 1.00 0.00 N ATOM 791 CA PRO A 56 -17.215 -15.030 -3.454 1.00 0.00 C ATOM 792 C PRO A 56 -18.353 -14.182 -2.880 1.00 0.00 C ATOM 793 O PRO A 56 -19.275 -14.712 -2.263 1.00 0.00 O ATOM 794 CB PRO A 56 -17.704 -16.131 -4.382 1.00 0.00 C ATOM 795 CG PRO A 56 -17.643 -17.415 -3.571 1.00 0.00 C ATOM 796 CD PRO A 56 -16.810 -17.144 -2.329 1.00 0.00 C ATOM 0 HA PRO A 56 -16.589 -14.321 -3.995 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -18.720 -15.932 -4.723 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -17.077 -16.200 -5.271 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -18.646 -17.739 -3.294 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.200 -18.218 -4.160 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.363 -17.384 -1.421 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.904 -17.750 -2.320 1.00 0.00 H new ATOM 804 N GLY A 57 -18.249 -12.881 -3.105 1.00 0.00 N ATOM 805 CA GLY A 57 -19.258 -11.955 -2.618 1.00 0.00 C ATOM 806 C GLY A 57 -18.731 -11.144 -1.432 1.00 0.00 C ATOM 807 O GLY A 57 -19.419 -10.259 -0.926 1.00 0.00 O ATOM 0 H GLY A 57 -17.482 -12.446 -3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -19.556 -11.281 -3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -20.149 -12.507 -2.319 1.00 0.00 H new ATOM 811 N SER A 58 -17.514 -11.474 -1.025 1.00 0.00 N ATOM 812 CA SER A 58 -16.887 -10.788 0.092 1.00 0.00 C ATOM 813 C SER A 58 -15.727 -9.926 -0.410 1.00 0.00 C ATOM 814 O SER A 58 -15.135 -10.217 -1.448 1.00 0.00 O ATOM 815 CB SER A 58 -16.392 -11.783 1.143 1.00 0.00 C ATOM 816 OG SER A 58 -16.139 -13.069 0.584 1.00 0.00 O ATOM 0 H SER A 58 -16.946 -12.207 -1.449 1.00 0.00 H new ATOM 0 HA SER A 58 -17.633 -10.147 0.562 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.480 -11.402 1.602 1.00 0.00 H new ATOM 0 HB3 SER A 58 -17.135 -11.872 1.936 1.00 0.00 H new ATOM 0 HG SER A 58 -15.554 -12.977 -0.197 1.00 0.00 H new ATOM 822 N PRO A 59 -15.428 -8.853 0.372 1.00 0.00 N ATOM 823 CA PRO A 59 -14.349 -7.947 0.018 1.00 0.00 C ATOM 824 C PRO A 59 -12.986 -8.579 0.304 1.00 0.00 C ATOM 825 O PRO A 59 -12.817 -9.271 1.306 1.00 0.00 O ATOM 826 CB PRO A 59 -14.606 -6.691 0.836 1.00 0.00 C ATOM 827 CG PRO A 59 -15.543 -7.109 1.957 1.00 0.00 C ATOM 828 CD PRO A 59 -16.107 -8.477 1.608 1.00 0.00 C ATOM 0 HA PRO A 59 -14.326 -7.715 -1.047 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.675 -6.287 1.235 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.055 -5.910 0.222 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -15.009 -7.147 2.906 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.347 -6.383 2.073 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -15.914 -9.199 2.401 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -17.187 -8.436 1.470 1.00 0.00 H new ATOM 836 N LEU A 60 -12.047 -8.317 -0.595 1.00 0.00 N ATOM 837 CA LEU A 60 -10.704 -8.852 -0.451 1.00 0.00 C ATOM 838 C LEU A 60 -9.953 -8.052 0.615 1.00 0.00 C ATOM 839 O LEU A 60 -9.920 -6.824 0.567 1.00 0.00 O ATOM 840 CB LEU A 60 -9.994 -8.888 -1.806 1.00 0.00 C ATOM 841 CG LEU A 60 -10.658 -9.743 -2.888 1.00 0.00 C ATOM 842 CD1 LEU A 60 -10.027 -9.480 -4.257 1.00 0.00 C ATOM 843 CD2 LEU A 60 -10.621 -11.226 -2.515 1.00 0.00 C ATOM 0 H LEU A 60 -12.190 -7.742 -1.425 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.740 -9.886 -0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.911 -7.867 -2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.979 -9.255 -1.653 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.707 -9.455 -2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.516 -10.100 -5.008 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.149 -8.429 -4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.965 -9.724 -4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.099 -11.811 -3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.585 -11.547 -2.403 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.152 -11.378 -1.575 1.00 0.00 H new ATOM 855 N ARG A 61 -9.368 -8.782 1.554 1.00 0.00 N ATOM 856 CA ARG A 61 -8.619 -8.156 2.630 1.00 0.00 C ATOM 857 C ARG A 61 -7.668 -7.097 2.069 1.00 0.00 C ATOM 858 O ARG A 61 -7.300 -7.146 0.897 1.00 0.00 O ATOM 859 CB ARG A 61 -7.811 -9.192 3.414 1.00 0.00 C ATOM 860 CG ARG A 61 -8.524 -9.575 4.713 1.00 0.00 C ATOM 861 CD ARG A 61 -8.142 -10.990 5.152 1.00 0.00 C ATOM 862 NE ARG A 61 -8.025 -11.048 6.627 1.00 0.00 N ATOM 863 CZ ARG A 61 -7.174 -10.301 7.343 1.00 0.00 C ATOM 864 NH1 ARG A 61 -6.361 -9.434 6.725 1.00 0.00 N ATOM 865 NH2 ARG A 61 -7.137 -10.420 8.677 1.00 0.00 N ATOM 0 H ARG A 61 -9.398 -9.801 1.592 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.336 -7.686 3.303 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.661 -10.081 2.801 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.823 -8.792 3.642 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.264 -8.864 5.498 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.603 -9.513 4.572 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.894 -11.701 4.810 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.197 -11.280 4.692 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.630 -11.697 7.129 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.390 -9.343 5.710 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.713 -8.865 7.270 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.757 -11.079 9.148 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.489 -9.851 9.222 1.00 0.00 H new ATOM 879 N VAL A 62 -7.297 -6.164 2.934 1.00 0.00 N ATOM 880 CA VAL A 62 -6.396 -5.094 2.539 1.00 0.00 C ATOM 881 C VAL A 62 -5.114 -5.181 3.369 1.00 0.00 C ATOM 882 O VAL A 62 -5.154 -5.540 4.545 1.00 0.00 O ATOM 883 CB VAL A 62 -7.101 -3.742 2.668 1.00 0.00 C ATOM 884 CG1 VAL A 62 -6.159 -2.595 2.294 1.00 0.00 C ATOM 885 CG2 VAL A 62 -8.374 -3.705 1.820 1.00 0.00 C ATOM 0 H VAL A 62 -7.604 -6.127 3.906 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.113 -5.200 1.492 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.389 -3.612 3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.684 -1.645 2.394 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.294 -2.603 2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.826 -2.719 1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.856 -2.733 1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.119 -3.867 0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -9.056 -4.488 2.153 1.00 0.00 H new ATOM 895 N THR A 63 -4.006 -4.846 2.725 1.00 0.00 N ATOM 896 CA THR A 63 -2.714 -4.882 3.389 1.00 0.00 C ATOM 897 C THR A 63 -2.040 -3.510 3.320 1.00 0.00 C ATOM 898 O THR A 63 -1.734 -3.019 2.234 1.00 0.00 O ATOM 899 CB THR A 63 -1.885 -5.999 2.751 1.00 0.00 C ATOM 900 OG1 THR A 63 -2.306 -7.177 3.433 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.396 -5.886 3.084 1.00 0.00 C ATOM 0 H THR A 63 -3.976 -4.548 1.750 1.00 0.00 H new ATOM 0 HA THR A 63 -2.822 -5.103 4.451 1.00 0.00 H new ATOM 0 HB THR A 63 -2.017 -5.977 1.669 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.953 -7.966 2.971 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.146 -6.702 2.607 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.013 -4.933 2.719 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.259 -5.942 4.164 1.00 0.00 H new ATOM 909 N HIS A 64 -1.830 -2.930 4.492 1.00 0.00 N ATOM 910 CA HIS A 64 -1.198 -1.624 4.579 1.00 0.00 C ATOM 911 C HIS A 64 0.290 -1.794 4.891 1.00 0.00 C ATOM 912 O HIS A 64 0.654 -2.190 5.998 1.00 0.00 O ATOM 913 CB HIS A 64 -1.921 -0.738 5.595 1.00 0.00 C ATOM 914 CG HIS A 64 -3.399 -0.581 5.332 1.00 0.00 C ATOM 915 ND1 HIS A 64 -3.958 0.597 4.868 1.00 0.00 N ATOM 916 CD2 HIS A 64 -4.428 -1.466 5.472 1.00 0.00 C ATOM 917 CE1 HIS A 64 -5.264 0.418 4.739 1.00 0.00 C ATOM 918 NE2 HIS A 64 -5.554 -0.861 5.114 1.00 0.00 N ATOM 0 H HIS A 64 -2.086 -3.340 5.390 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.275 -1.113 3.619 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.782 -1.158 6.591 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.456 0.248 5.597 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -3.450 1.457 4.661 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.341 -2.486 5.816 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.975 1.156 4.397 1.00 0.00 H new ATOM 926 N ILE A 65 1.110 -1.485 3.897 1.00 0.00 N ATOM 927 CA ILE A 65 2.550 -1.598 4.052 1.00 0.00 C ATOM 928 C ILE A 65 3.126 -0.233 4.432 1.00 0.00 C ATOM 929 O ILE A 65 3.416 0.586 3.561 1.00 0.00 O ATOM 930 CB ILE A 65 3.178 -2.203 2.795 1.00 0.00 C ATOM 931 CG1 ILE A 65 2.717 -3.648 2.593 1.00 0.00 C ATOM 932 CG2 ILE A 65 4.703 -2.089 2.835 1.00 0.00 C ATOM 933 CD1 ILE A 65 1.838 -3.773 1.347 1.00 0.00 C ATOM 0 H ILE A 65 0.804 -1.156 2.981 1.00 0.00 H new ATOM 0 HA ILE A 65 2.794 -2.284 4.863 1.00 0.00 H new ATOM 0 HB ILE A 65 2.835 -1.632 1.933 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.585 -4.301 2.497 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.162 -3.982 3.469 1.00 0.00 H new ATOM 0 HG21 ILE A 65 5.124 -2.527 1.930 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.988 -1.039 2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.085 -2.620 3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.524 -4.810 1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.959 -3.138 1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.404 -3.461 0.469 1.00 0.00 H new ATOM 945 N LYS A 66 3.276 -0.030 5.733 1.00 0.00 N ATOM 946 CA LYS A 66 3.812 1.222 6.238 1.00 0.00 C ATOM 947 C LYS A 66 5.191 1.467 5.621 1.00 0.00 C ATOM 948 O LYS A 66 5.990 0.541 5.489 1.00 0.00 O ATOM 949 CB LYS A 66 3.814 1.225 7.768 1.00 0.00 C ATOM 950 CG LYS A 66 2.496 1.775 8.317 1.00 0.00 C ATOM 951 CD LYS A 66 2.007 0.942 9.504 1.00 0.00 C ATOM 952 CE LYS A 66 0.598 0.401 9.249 1.00 0.00 C ATOM 953 NZ LYS A 66 -0.014 -0.065 10.514 1.00 0.00 N ATOM 0 H LYS A 66 3.035 -0.712 6.452 1.00 0.00 H new ATOM 0 HA LYS A 66 3.176 2.056 5.941 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.971 0.211 8.137 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.644 1.829 8.133 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.631 2.811 8.626 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.741 1.773 7.531 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.693 0.113 9.679 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.008 1.553 10.407 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.022 1.179 8.803 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.641 -0.421 8.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.970 -0.429 10.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.570 -0.822 10.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.073 0.728 11.184 1.00 0.00 H new ATOM 967 N VAL A 67 5.427 2.720 5.258 1.00 0.00 N ATOM 968 CA VAL A 67 6.695 3.098 4.658 1.00 0.00 C ATOM 969 C VAL A 67 7.520 3.889 5.675 1.00 0.00 C ATOM 970 O VAL A 67 7.147 4.998 6.056 1.00 0.00 O ATOM 971 CB VAL A 67 6.449 3.869 3.359 1.00 0.00 C ATOM 972 CG1 VAL A 67 7.744 4.501 2.844 1.00 0.00 C ATOM 973 CG2 VAL A 67 5.818 2.967 2.297 1.00 0.00 C ATOM 0 H VAL A 67 4.762 3.485 5.368 1.00 0.00 H new ATOM 0 HA VAL A 67 7.271 2.212 4.391 1.00 0.00 H new ATOM 0 HB VAL A 67 5.746 4.674 3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.542 5.043 1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.134 5.191 3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.479 3.719 2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.654 3.540 1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.485 2.131 2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.864 2.586 2.663 1.00 0.00 H new ATOM 983 N MET A 68 8.626 3.288 6.087 1.00 0.00 N ATOM 984 CA MET A 68 9.507 3.921 7.053 1.00 0.00 C ATOM 985 C MET A 68 10.419 4.945 6.374 1.00 0.00 C ATOM 986 O MET A 68 11.239 4.588 5.529 1.00 0.00 O ATOM 987 CB MET A 68 10.361 2.855 7.742 1.00 0.00 C ATOM 988 CG MET A 68 9.674 2.336 9.007 1.00 0.00 C ATOM 989 SD MET A 68 10.471 0.840 9.565 1.00 0.00 S ATOM 990 CE MET A 68 9.708 -0.345 8.470 1.00 0.00 C ATOM 0 H MET A 68 8.932 2.369 5.769 1.00 0.00 H new ATOM 0 HA MET A 68 8.894 4.440 7.790 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.540 2.028 7.055 1.00 0.00 H new ATOM 0 HB3 MET A 68 11.335 3.273 7.998 1.00 0.00 H new ATOM 0 HG2 MET A 68 9.715 3.093 9.790 1.00 0.00 H new ATOM 0 HG3 MET A 68 8.620 2.143 8.805 1.00 0.00 H new ATOM 0 HE1 MET A 68 9.927 -1.355 8.817 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.629 -0.191 8.462 1.00 0.00 H new ATOM 0 HE3 MET A 68 10.101 -0.214 7.462 1.00 0.00 H new ATOM 1000 N CYS A 69 10.246 6.198 6.768 1.00 0.00 N ATOM 1001 CA CYS A 69 11.043 7.276 6.208 1.00 0.00 C ATOM 1002 C CYS A 69 12.042 7.737 7.271 1.00 0.00 C ATOM 1003 O CYS A 69 11.720 8.580 8.107 1.00 0.00 O ATOM 1004 CB CYS A 69 10.167 8.428 5.710 1.00 0.00 C ATOM 1005 SG CYS A 69 11.198 9.671 4.849 1.00 0.00 S ATOM 0 H CYS A 69 9.565 6.491 7.469 1.00 0.00 H new ATOM 0 HA CYS A 69 11.585 6.915 5.334 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.401 8.048 5.034 1.00 0.00 H new ATOM 0 HB3 CYS A 69 9.649 8.892 6.550 1.00 0.00 H new ATOM 0 HG CYS A 69 10.909 9.672 3.581 1.00 0.00 H new ATOM 1011 N GLU A 70 13.235 7.164 7.205 1.00 0.00 N ATOM 1012 CA GLU A 70 14.283 7.505 8.151 1.00 0.00 C ATOM 1013 C GLU A 70 15.556 7.916 7.409 1.00 0.00 C ATOM 1014 O GLU A 70 16.064 7.164 6.578 1.00 0.00 O ATOM 1015 CB GLU A 70 14.557 6.344 9.109 1.00 0.00 C ATOM 1016 CG GLU A 70 13.263 5.854 9.761 1.00 0.00 C ATOM 1017 CD GLU A 70 13.432 5.713 11.276 1.00 0.00 C ATOM 1018 OE1 GLU A 70 13.759 6.740 11.908 1.00 0.00 O ATOM 1019 OE2 GLU A 70 13.230 4.581 11.766 1.00 0.00 O ATOM 0 H GLU A 70 13.499 6.465 6.510 1.00 0.00 H new ATOM 0 HA GLU A 70 13.944 8.352 8.747 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.028 5.524 8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.259 6.662 9.880 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.455 6.553 9.545 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.976 4.894 9.332 1.00 0.00 H new ATOM 1026 N GLY A 71 16.034 9.108 7.734 1.00 0.00 N ATOM 1027 CA GLY A 71 17.238 9.627 7.108 1.00 0.00 C ATOM 1028 C GLY A 71 17.015 9.879 5.615 1.00 0.00 C ATOM 1029 O GLY A 71 17.918 9.673 4.806 1.00 0.00 O ATOM 0 H GLY A 71 15.609 9.729 8.423 1.00 0.00 H new ATOM 0 HA2 GLY A 71 17.535 10.555 7.597 1.00 0.00 H new ATOM 0 HA3 GLY A 71 18.056 8.920 7.243 1.00 0.00 H new ATOM 1033 N GLY A 72 15.808 10.321 5.297 1.00 0.00 N ATOM 1034 CA GLY A 72 15.454 10.603 3.916 1.00 0.00 C ATOM 1035 C GLY A 72 15.446 9.322 3.079 1.00 0.00 C ATOM 1036 O GLY A 72 15.552 9.375 1.855 1.00 0.00 O ATOM 0 H GLY A 72 15.062 10.491 5.972 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.471 11.073 3.878 1.00 0.00 H new ATOM 0 HA3 GLY A 72 16.164 11.314 3.493 1.00 0.00 H new ATOM 1040 N ARG A 73 15.319 8.201 3.774 1.00 0.00 N ATOM 1041 CA ARG A 73 15.295 6.909 3.110 1.00 0.00 C ATOM 1042 C ARG A 73 13.990 6.175 3.424 1.00 0.00 C ATOM 1043 O ARG A 73 13.580 6.097 4.581 1.00 0.00 O ATOM 1044 CB ARG A 73 16.477 6.042 3.549 1.00 0.00 C ATOM 1045 CG ARG A 73 17.801 6.633 3.060 1.00 0.00 C ATOM 1046 CD ARG A 73 18.221 6.011 1.727 1.00 0.00 C ATOM 1047 NE ARG A 73 19.602 5.487 1.826 1.00 0.00 N ATOM 1048 CZ ARG A 73 20.688 6.257 1.979 1.00 0.00 C ATOM 1049 NH1 ARG A 73 20.560 7.589 2.053 1.00 0.00 N ATOM 1050 NH2 ARG A 73 21.902 5.695 2.059 1.00 0.00 N ATOM 0 H ARG A 73 15.232 8.161 4.789 1.00 0.00 H new ATOM 0 HA ARG A 73 15.367 7.087 2.037 1.00 0.00 H new ATOM 0 HB2 ARG A 73 16.490 5.962 4.636 1.00 0.00 H new ATOM 0 HB3 ARG A 73 16.358 5.032 3.156 1.00 0.00 H new ATOM 0 HG2 ARG A 73 17.701 7.712 2.946 1.00 0.00 H new ATOM 0 HG3 ARG A 73 18.577 6.462 3.806 1.00 0.00 H new ATOM 0 HD2 ARG A 73 17.536 5.206 1.460 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.162 6.756 0.934 1.00 0.00 H new ATOM 0 HE ARG A 73 19.735 4.477 1.775 1.00 0.00 H new ATOM 0 HH11 ARG A 73 19.636 8.017 1.993 1.00 0.00 H new ATOM 0 HH12 ARG A 73 21.387 8.175 2.169 1.00 0.00 H new ATOM 0 HH21 ARG A 73 21.999 4.681 2.003 1.00 0.00 H new ATOM 0 HH22 ARG A 73 22.729 6.281 2.175 1.00 0.00 H new ATOM 1064 N TYR A 74 13.373 5.655 2.373 1.00 0.00 N ATOM 1065 CA TYR A 74 12.123 4.930 2.522 1.00 0.00 C ATOM 1066 C TYR A 74 12.365 3.419 2.549 1.00 0.00 C ATOM 1067 O TYR A 74 13.161 2.900 1.768 1.00 0.00 O ATOM 1068 CB TYR A 74 11.284 5.278 1.291 1.00 0.00 C ATOM 1069 CG TYR A 74 10.775 6.721 1.272 1.00 0.00 C ATOM 1070 CD1 TYR A 74 10.175 7.255 2.395 1.00 0.00 C ATOM 1071 CD2 TYR A 74 10.916 7.488 0.134 1.00 0.00 C ATOM 1072 CE1 TYR A 74 9.696 8.613 2.377 1.00 0.00 C ATOM 1073 CE2 TYR A 74 10.437 8.846 0.117 1.00 0.00 C ATOM 1074 CZ TYR A 74 9.850 9.341 1.239 1.00 0.00 C ATOM 1075 OH TYR A 74 9.398 10.624 1.223 1.00 0.00 O ATOM 0 H TYR A 74 13.716 5.722 1.415 1.00 0.00 H new ATOM 0 HA TYR A 74 11.630 5.203 3.455 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.881 5.102 0.396 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.430 4.602 1.243 1.00 0.00 H new ATOM 0 HD1 TYR A 74 10.065 6.655 3.286 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.386 7.070 -0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 74 9.225 9.044 3.248 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.542 9.457 -0.767 1.00 0.00 H new ATOM 0 HH TYR A 74 9.576 11.023 0.346 1.00 0.00 H new ATOM 1085 N THR A 75 11.663 2.756 3.456 1.00 0.00 N ATOM 1086 CA THR A 75 11.791 1.315 3.595 1.00 0.00 C ATOM 1087 C THR A 75 10.526 0.725 4.221 1.00 0.00 C ATOM 1088 O THR A 75 9.891 1.359 5.062 1.00 0.00 O ATOM 1089 CB THR A 75 13.059 1.029 4.402 1.00 0.00 C ATOM 1090 OG1 THR A 75 12.911 -0.328 4.812 1.00 0.00 O ATOM 1091 CG2 THR A 75 13.106 1.812 5.715 1.00 0.00 C ATOM 0 H THR A 75 11.004 3.190 4.102 1.00 0.00 H new ATOM 0 HA THR A 75 11.891 0.831 2.623 1.00 0.00 H new ATOM 0 HB THR A 75 13.935 1.275 3.801 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.793 -0.752 4.863 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.026 1.573 6.249 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.077 2.881 5.503 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.248 1.542 6.331 1.00 0.00 H new ATOM 1099 N VAL A 76 10.197 -0.483 3.786 1.00 0.00 N ATOM 1100 CA VAL A 76 9.019 -1.166 4.293 1.00 0.00 C ATOM 1101 C VAL A 76 9.412 -2.027 5.496 1.00 0.00 C ATOM 1102 O VAL A 76 8.600 -2.797 6.004 1.00 0.00 O ATOM 1103 CB VAL A 76 8.358 -1.971 3.173 1.00 0.00 C ATOM 1104 CG1 VAL A 76 8.195 -1.121 1.911 1.00 0.00 C ATOM 1105 CG2 VAL A 76 9.146 -3.248 2.876 1.00 0.00 C ATOM 0 H VAL A 76 10.726 -1.006 3.088 1.00 0.00 H new ATOM 0 HA VAL A 76 8.278 -0.444 4.637 1.00 0.00 H new ATOM 0 HB VAL A 76 7.364 -2.263 3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.723 -1.717 1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.572 -0.255 2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.174 -0.785 1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.654 -3.801 2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.158 -2.987 2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.188 -3.867 3.772 1.00 0.00 H new ATOM 1115 N GLY A 77 10.659 -1.867 5.915 1.00 0.00 N ATOM 1116 CA GLY A 77 11.170 -2.620 7.048 1.00 0.00 C ATOM 1117 C GLY A 77 12.306 -3.551 6.620 1.00 0.00 C ATOM 1118 O GLY A 77 12.660 -4.479 7.346 1.00 0.00 O ATOM 0 H GLY A 77 11.330 -1.227 5.490 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.528 -1.933 7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.365 -3.204 7.494 1.00 0.00 H new ATOM 1122 N GLY A 78 12.845 -3.272 5.442 1.00 0.00 N ATOM 1123 CA GLY A 78 13.933 -4.074 4.909 1.00 0.00 C ATOM 1124 C GLY A 78 15.225 -3.258 4.826 1.00 0.00 C ATOM 1125 O GLY A 78 15.233 -2.067 5.133 1.00 0.00 O ATOM 0 H GLY A 78 12.549 -2.502 4.842 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.090 -4.947 5.542 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.667 -4.442 3.918 1.00 0.00 H new ATOM 1129 N LEU A 79 16.287 -3.932 4.409 1.00 0.00 N ATOM 1130 CA LEU A 79 17.582 -3.285 4.281 1.00 0.00 C ATOM 1131 C LEU A 79 17.530 -2.271 3.137 1.00 0.00 C ATOM 1132 O LEU A 79 17.962 -1.130 3.294 1.00 0.00 O ATOM 1133 CB LEU A 79 18.690 -4.329 4.128 1.00 0.00 C ATOM 1134 CG LEU A 79 19.344 -4.808 5.426 1.00 0.00 C ATOM 1135 CD1 LEU A 79 19.635 -6.309 5.372 1.00 0.00 C ATOM 1136 CD2 LEU A 79 20.599 -3.991 5.741 1.00 0.00 C ATOM 0 H LEU A 79 16.277 -4.920 4.155 1.00 0.00 H new ATOM 0 HA LEU A 79 17.822 -2.730 5.188 1.00 0.00 H new ATOM 0 HB2 LEU A 79 18.277 -5.195 3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.466 -3.915 3.485 1.00 0.00 H new ATOM 0 HG LEU A 79 18.641 -4.646 6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.100 -6.623 6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 79 18.703 -6.855 5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 79 20.310 -6.519 4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 79 21.045 -4.351 6.668 1.00 0.00 H new ATOM 0 HD22 LEU A 79 21.317 -4.098 4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.331 -2.940 5.852 1.00 0.00 H new ATOM 1148 N GLU A 80 16.998 -2.724 2.011 1.00 0.00 N ATOM 1149 CA GLU A 80 16.883 -1.870 0.841 1.00 0.00 C ATOM 1150 C GLU A 80 16.060 -0.624 1.171 1.00 0.00 C ATOM 1151 O GLU A 80 15.117 -0.689 1.959 1.00 0.00 O ATOM 1152 CB GLU A 80 16.275 -2.634 -0.337 1.00 0.00 C ATOM 1153 CG GLU A 80 17.157 -3.818 -0.738 1.00 0.00 C ATOM 1154 CD GLU A 80 16.332 -5.101 -0.854 1.00 0.00 C ATOM 1155 OE1 GLU A 80 15.242 -5.022 -1.460 1.00 0.00 O ATOM 1156 OE2 GLU A 80 16.811 -6.132 -0.334 1.00 0.00 O ATOM 0 H GLU A 80 16.642 -3.671 1.884 1.00 0.00 H new ATOM 0 HA GLU A 80 17.883 -1.552 0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.281 -2.991 -0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.154 -1.962 -1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.644 -3.607 -1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.947 -3.955 0.001 1.00 0.00 H new ATOM 1163 N THR A 81 16.446 0.482 0.552 1.00 0.00 N ATOM 1164 CA THR A 81 15.755 1.742 0.771 1.00 0.00 C ATOM 1165 C THR A 81 15.427 2.409 -0.567 1.00 0.00 C ATOM 1166 O THR A 81 15.624 1.815 -1.626 1.00 0.00 O ATOM 1167 CB THR A 81 16.626 2.607 1.684 1.00 0.00 C ATOM 1168 OG1 THR A 81 17.949 2.402 1.198 1.00 0.00 O ATOM 1169 CG2 THR A 81 16.671 2.081 3.120 1.00 0.00 C ATOM 0 H THR A 81 17.228 0.532 -0.101 1.00 0.00 H new ATOM 0 HA THR A 81 14.796 1.587 1.265 1.00 0.00 H new ATOM 0 HB THR A 81 16.248 3.629 1.683 1.00 0.00 H new ATOM 0 HG1 THR A 81 18.592 2.796 1.824 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.302 2.731 3.726 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.663 2.066 3.534 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.080 1.071 3.125 1.00 0.00 H new ATOM 1177 N PHE A 82 14.932 3.635 -0.474 1.00 0.00 N ATOM 1178 CA PHE A 82 14.575 4.389 -1.664 1.00 0.00 C ATOM 1179 C PHE A 82 14.530 5.889 -1.368 1.00 0.00 C ATOM 1180 O PHE A 82 14.312 6.295 -0.228 1.00 0.00 O ATOM 1181 CB PHE A 82 13.181 3.923 -2.087 1.00 0.00 C ATOM 1182 CG PHE A 82 12.983 2.407 -2.016 1.00 0.00 C ATOM 1183 CD1 PHE A 82 13.389 1.619 -3.048 1.00 0.00 C ATOM 1184 CD2 PHE A 82 12.401 1.848 -0.921 1.00 0.00 C ATOM 1185 CE1 PHE A 82 13.205 0.213 -2.982 1.00 0.00 C ATOM 1186 CE2 PHE A 82 12.218 0.441 -0.855 1.00 0.00 C ATOM 1187 CZ PHE A 82 12.624 -0.347 -1.887 1.00 0.00 C ATOM 0 H PHE A 82 14.770 4.124 0.406 1.00 0.00 H new ATOM 0 HA PHE A 82 15.315 4.222 -2.447 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.439 4.406 -1.451 1.00 0.00 H new ATOM 0 HB3 PHE A 82 12.992 4.256 -3.107 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.851 2.063 -3.917 1.00 0.00 H new ATOM 0 HD2 PHE A 82 12.078 2.474 -0.102 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.527 -0.412 -3.802 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.757 -0.003 0.015 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.485 -1.417 -1.837 1.00 0.00 H new ATOM 1197 N ASP A 83 14.740 6.673 -2.416 1.00 0.00 N ATOM 1198 CA ASP A 83 14.726 8.120 -2.283 1.00 0.00 C ATOM 1199 C ASP A 83 13.323 8.643 -2.598 1.00 0.00 C ATOM 1200 O ASP A 83 12.881 9.633 -2.017 1.00 0.00 O ATOM 1201 CB ASP A 83 15.704 8.772 -3.262 1.00 0.00 C ATOM 1202 CG ASP A 83 17.158 8.318 -3.123 1.00 0.00 C ATOM 1203 OD1 ASP A 83 17.839 8.862 -2.227 1.00 0.00 O ATOM 1204 OD2 ASP A 83 17.556 7.437 -3.915 1.00 0.00 O ATOM 0 H ASP A 83 14.921 6.333 -3.361 1.00 0.00 H new ATOM 0 HA ASP A 83 15.018 8.368 -1.262 1.00 0.00 H new ATOM 0 HB2 ASP A 83 15.370 8.564 -4.278 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.662 9.853 -3.128 1.00 0.00 H new ATOM 1209 N SER A 84 12.661 7.955 -3.516 1.00 0.00 N ATOM 1210 CA SER A 84 11.317 8.338 -3.915 1.00 0.00 C ATOM 1211 C SER A 84 10.370 7.145 -3.773 1.00 0.00 C ATOM 1212 O SER A 84 10.774 6.000 -3.965 1.00 0.00 O ATOM 1213 CB SER A 84 11.298 8.863 -5.351 1.00 0.00 C ATOM 1214 OG SER A 84 12.211 9.941 -5.538 1.00 0.00 O ATOM 0 H SER A 84 13.030 7.134 -3.995 1.00 0.00 H new ATOM 0 HA SER A 84 10.981 9.141 -3.259 1.00 0.00 H new ATOM 0 HB2 SER A 84 11.548 8.053 -6.036 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.290 9.194 -5.603 1.00 0.00 H new ATOM 0 HG SER A 84 12.170 10.247 -6.468 1.00 0.00 H new ATOM 1220 N LEU A 85 9.126 7.455 -3.437 1.00 0.00 N ATOM 1221 CA LEU A 85 8.117 6.423 -3.267 1.00 0.00 C ATOM 1222 C LEU A 85 8.022 5.593 -4.549 1.00 0.00 C ATOM 1223 O LEU A 85 7.735 4.398 -4.499 1.00 0.00 O ATOM 1224 CB LEU A 85 6.786 7.041 -2.833 1.00 0.00 C ATOM 1225 CG LEU A 85 6.428 6.892 -1.353 1.00 0.00 C ATOM 1226 CD1 LEU A 85 5.991 5.461 -1.036 1.00 0.00 C ATOM 1227 CD2 LEU A 85 7.583 7.350 -0.461 1.00 0.00 C ATOM 0 H LEU A 85 8.794 8.406 -3.278 1.00 0.00 H new ATOM 0 HA LEU A 85 8.401 5.741 -2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.805 8.103 -3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.989 6.592 -3.426 1.00 0.00 H new ATOM 0 HG LEU A 85 5.579 7.542 -1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.742 5.383 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.116 5.207 -1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.803 4.772 -1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.302 7.234 0.586 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.466 6.745 -0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.805 8.398 -0.663 1.00 0.00 H new ATOM 1239 N THR A 86 8.268 6.260 -5.667 1.00 0.00 N ATOM 1240 CA THR A 86 8.213 5.599 -6.960 1.00 0.00 C ATOM 1241 C THR A 86 9.267 4.493 -7.038 1.00 0.00 C ATOM 1242 O THR A 86 8.945 3.345 -7.342 1.00 0.00 O ATOM 1243 CB THR A 86 8.371 6.667 -8.044 1.00 0.00 C ATOM 1244 OG1 THR A 86 7.156 7.409 -7.980 1.00 0.00 O ATOM 1245 CG2 THR A 86 8.372 6.074 -9.454 1.00 0.00 C ATOM 0 H THR A 86 8.506 7.251 -5.704 1.00 0.00 H new ATOM 0 HA THR A 86 7.254 5.102 -7.110 1.00 0.00 H new ATOM 0 HB THR A 86 9.299 7.216 -7.881 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.419 6.810 -7.737 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.487 6.874 -10.185 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.199 5.371 -9.552 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.431 5.554 -9.631 1.00 0.00 H new ATOM 1253 N ASP A 87 10.503 4.877 -6.759 1.00 0.00 N ATOM 1254 CA ASP A 87 11.606 3.932 -6.794 1.00 0.00 C ATOM 1255 C ASP A 87 11.338 2.804 -5.795 1.00 0.00 C ATOM 1256 O ASP A 87 11.892 1.713 -5.921 1.00 0.00 O ATOM 1257 CB ASP A 87 12.923 4.606 -6.402 1.00 0.00 C ATOM 1258 CG ASP A 87 13.881 4.878 -7.564 1.00 0.00 C ATOM 1259 OD1 ASP A 87 13.369 5.079 -8.686 1.00 0.00 O ATOM 1260 OD2 ASP A 87 15.103 4.877 -7.304 1.00 0.00 O ATOM 0 H ASP A 87 10.766 5.830 -6.508 1.00 0.00 H new ATOM 0 HA ASP A 87 11.686 3.547 -7.810 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.697 5.551 -5.908 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.432 3.978 -5.671 1.00 0.00 H new ATOM 1265 N LEU A 88 10.488 3.106 -4.824 1.00 0.00 N ATOM 1266 CA LEU A 88 10.140 2.132 -3.805 1.00 0.00 C ATOM 1267 C LEU A 88 9.067 1.188 -4.352 1.00 0.00 C ATOM 1268 O LEU A 88 9.203 -0.031 -4.263 1.00 0.00 O ATOM 1269 CB LEU A 88 9.736 2.835 -2.507 1.00 0.00 C ATOM 1270 CG LEU A 88 9.283 1.924 -1.364 1.00 0.00 C ATOM 1271 CD1 LEU A 88 9.307 2.670 -0.028 1.00 0.00 C ATOM 1272 CD2 LEU A 88 7.910 1.317 -1.657 1.00 0.00 C ATOM 0 H LEU A 88 10.030 4.012 -4.722 1.00 0.00 H new ATOM 0 HA LEU A 88 11.006 1.520 -3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.582 3.428 -2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.929 3.533 -2.731 1.00 0.00 H new ATOM 0 HG LEU A 88 9.989 1.097 -1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.981 2.001 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.321 3.013 0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.637 3.528 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.612 0.674 -0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.178 2.115 -1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.960 0.729 -2.573 1.00 0.00 H new ATOM 1284 N VAL A 89 8.024 1.788 -4.907 1.00 0.00 N ATOM 1285 CA VAL A 89 6.928 1.016 -5.469 1.00 0.00 C ATOM 1286 C VAL A 89 7.422 0.266 -6.708 1.00 0.00 C ATOM 1287 O VAL A 89 7.144 -0.921 -6.870 1.00 0.00 O ATOM 1288 CB VAL A 89 5.738 1.933 -5.759 1.00 0.00 C ATOM 1289 CG1 VAL A 89 4.893 1.385 -6.911 1.00 0.00 C ATOM 1290 CG2 VAL A 89 4.887 2.140 -4.505 1.00 0.00 C ATOM 0 H VAL A 89 7.915 2.800 -4.980 1.00 0.00 H new ATOM 0 HA VAL A 89 6.579 0.270 -4.755 1.00 0.00 H new ATOM 0 HB VAL A 89 6.129 2.904 -6.062 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.054 2.055 -7.097 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.506 1.313 -7.809 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.517 0.396 -6.648 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.048 2.795 -4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.510 1.178 -4.158 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.496 2.594 -3.723 1.00 0.00 H new ATOM 1300 N GLU A 90 8.145 0.990 -7.550 1.00 0.00 N ATOM 1301 CA GLU A 90 8.679 0.408 -8.769 1.00 0.00 C ATOM 1302 C GLU A 90 9.641 -0.734 -8.434 1.00 0.00 C ATOM 1303 O GLU A 90 9.985 -1.535 -9.302 1.00 0.00 O ATOM 1304 CB GLU A 90 9.367 1.470 -9.628 1.00 0.00 C ATOM 1305 CG GLU A 90 8.356 2.495 -10.147 1.00 0.00 C ATOM 1306 CD GLU A 90 7.395 1.857 -11.152 1.00 0.00 C ATOM 1307 OE1 GLU A 90 7.891 1.081 -11.997 1.00 0.00 O ATOM 1308 OE2 GLU A 90 6.186 2.159 -11.052 1.00 0.00 O ATOM 0 H GLU A 90 8.373 1.974 -7.412 1.00 0.00 H new ATOM 0 HA GLU A 90 7.850 0.001 -9.348 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.135 1.976 -9.042 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.871 0.993 -10.469 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.792 2.910 -9.312 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.883 3.324 -10.619 1.00 0.00 H new ATOM 1315 N HIS A 91 10.048 -0.773 -7.174 1.00 0.00 N ATOM 1316 CA HIS A 91 10.963 -1.803 -6.714 1.00 0.00 C ATOM 1317 C HIS A 91 10.177 -3.064 -6.352 1.00 0.00 C ATOM 1318 O HIS A 91 10.456 -4.145 -6.870 1.00 0.00 O ATOM 1319 CB HIS A 91 11.824 -1.289 -5.558 1.00 0.00 C ATOM 1320 CG HIS A 91 12.542 -2.377 -4.796 1.00 0.00 C ATOM 1321 ND1 HIS A 91 12.218 -3.012 -3.633 1.00 0.00 N flip ATOM 1322 CD2 HIS A 91 13.740 -2.924 -5.220 1.00 0.00 C flip ATOM 1323 CE1 HIS A 91 13.167 -3.900 -3.362 1.00 0.00 C flip ATOM 1324 NE2 HIS A 91 14.112 -3.847 -4.345 1.00 0.00 N flip ATOM 0 H HIS A 91 9.760 -0.107 -6.457 1.00 0.00 H new ATOM 0 HA HIS A 91 11.653 -2.065 -7.516 1.00 0.00 H new ATOM 0 HB2 HIS A 91 12.561 -0.588 -5.951 1.00 0.00 H new ATOM 0 HB3 HIS A 91 11.191 -0.732 -4.867 1.00 0.00 H new ATOM 0 HD1 HIS A 91 11.388 -2.835 -3.068 1.00 0.00 H new ATOM 0 HD2 HIS A 91 14.280 -2.646 -6.113 1.00 0.00 H new ATOM 0 HE1 HIS A 91 13.188 -4.556 -2.505 1.00 0.00 H new ATOM 1332 N PHE A 92 9.208 -2.885 -5.466 1.00 0.00 N ATOM 1333 CA PHE A 92 8.379 -3.995 -5.028 1.00 0.00 C ATOM 1334 C PHE A 92 7.297 -4.312 -6.063 1.00 0.00 C ATOM 1335 O PHE A 92 6.576 -5.299 -5.929 1.00 0.00 O ATOM 1336 CB PHE A 92 7.708 -3.564 -3.722 1.00 0.00 C ATOM 1337 CG PHE A 92 8.651 -3.537 -2.518 1.00 0.00 C ATOM 1338 CD1 PHE A 92 8.974 -4.694 -1.880 1.00 0.00 C ATOM 1339 CD2 PHE A 92 9.167 -2.355 -2.085 1.00 0.00 C ATOM 1340 CE1 PHE A 92 9.849 -4.668 -0.762 1.00 0.00 C ATOM 1341 CE2 PHE A 92 10.043 -2.330 -0.968 1.00 0.00 C ATOM 1342 CZ PHE A 92 10.365 -3.487 -0.330 1.00 0.00 C ATOM 0 H PHE A 92 8.978 -1.987 -5.039 1.00 0.00 H new ATOM 0 HA PHE A 92 8.991 -4.887 -4.896 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.278 -2.571 -3.856 1.00 0.00 H new ATOM 0 HB3 PHE A 92 6.882 -4.242 -3.509 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.565 -5.633 -2.224 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.910 -1.436 -2.591 1.00 0.00 H new ATOM 0 HE1 PHE A 92 10.105 -5.587 -0.255 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.454 -1.392 -0.625 1.00 0.00 H new ATOM 0 HZ PHE A 92 11.031 -3.467 0.520 1.00 0.00 H new ATOM 1352 N LYS A 93 7.219 -3.456 -7.072 1.00 0.00 N ATOM 1353 CA LYS A 93 6.238 -3.633 -8.128 1.00 0.00 C ATOM 1354 C LYS A 93 6.510 -4.951 -8.856 1.00 0.00 C ATOM 1355 O LYS A 93 5.670 -5.429 -9.617 1.00 0.00 O ATOM 1356 CB LYS A 93 6.218 -2.413 -9.051 1.00 0.00 C ATOM 1357 CG LYS A 93 4.968 -1.564 -8.812 1.00 0.00 C ATOM 1358 CD LYS A 93 4.843 -0.463 -9.867 1.00 0.00 C ATOM 1359 CE LYS A 93 4.454 -1.047 -11.226 1.00 0.00 C ATOM 1360 NZ LYS A 93 3.129 -0.540 -11.648 1.00 0.00 N ATOM 0 H LYS A 93 7.819 -2.638 -7.180 1.00 0.00 H new ATOM 0 HA LYS A 93 5.235 -3.702 -7.708 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.110 -1.809 -8.881 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.247 -2.739 -10.091 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.082 -2.199 -8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.012 -1.117 -7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.094 0.264 -9.552 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.789 0.071 -9.954 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.205 -0.783 -11.970 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.432 -2.135 -11.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.880 -0.946 -12.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.413 -0.814 -10.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.162 0.497 -11.723 1.00 0.00 H new ATOM 1374 N LYS A 94 7.688 -5.500 -8.598 1.00 0.00 N ATOM 1375 CA LYS A 94 8.082 -6.753 -9.219 1.00 0.00 C ATOM 1376 C LYS A 94 8.356 -7.793 -8.130 1.00 0.00 C ATOM 1377 O LYS A 94 7.661 -8.805 -8.044 1.00 0.00 O ATOM 1378 CB LYS A 94 9.260 -6.533 -10.169 1.00 0.00 C ATOM 1379 CG LYS A 94 9.942 -5.191 -9.895 1.00 0.00 C ATOM 1380 CD LYS A 94 11.291 -5.105 -10.612 1.00 0.00 C ATOM 1381 CE LYS A 94 11.615 -3.661 -11.000 1.00 0.00 C ATOM 1382 NZ LYS A 94 10.873 -3.273 -12.221 1.00 0.00 N ATOM 0 H LYS A 94 8.382 -5.100 -7.967 1.00 0.00 H new ATOM 0 HA LYS A 94 7.273 -7.143 -9.837 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.981 -7.342 -10.053 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.910 -6.563 -11.201 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.297 -4.377 -10.227 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.088 -5.065 -8.822 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.076 -5.496 -9.965 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.273 -5.730 -11.505 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.354 -2.991 -10.181 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.687 -3.556 -11.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.143 -2.308 -12.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.103 -3.933 -12.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.851 -3.305 -12.031 1.00 0.00 H new ATOM 1396 N THR A 95 9.370 -7.509 -7.327 1.00 0.00 N ATOM 1397 CA THR A 95 9.745 -8.407 -6.248 1.00 0.00 C ATOM 1398 C THR A 95 8.530 -8.727 -5.375 1.00 0.00 C ATOM 1399 O THR A 95 8.501 -9.752 -4.696 1.00 0.00 O ATOM 1400 CB THR A 95 10.896 -7.762 -5.474 1.00 0.00 C ATOM 1401 OG1 THR A 95 10.308 -6.613 -4.870 1.00 0.00 O ATOM 1402 CG2 THR A 95 11.973 -7.188 -6.397 1.00 0.00 C ATOM 0 H THR A 95 9.944 -6.669 -7.402 1.00 0.00 H new ATOM 0 HA THR A 95 10.091 -9.366 -6.634 1.00 0.00 H new ATOM 0 HB THR A 95 11.344 -8.500 -4.808 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.985 -6.136 -4.347 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.766 -6.742 -5.797 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.388 -7.986 -7.012 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.533 -6.426 -7.040 1.00 0.00 H new ATOM 1410 N GLY A 96 7.555 -7.830 -5.420 1.00 0.00 N ATOM 1411 CA GLY A 96 6.341 -8.005 -4.642 1.00 0.00 C ATOM 1412 C GLY A 96 6.619 -7.835 -3.147 1.00 0.00 C ATOM 1413 O GLY A 96 7.762 -7.624 -2.744 1.00 0.00 O ATOM 0 H GLY A 96 7.582 -6.980 -5.983 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.592 -7.280 -4.961 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.925 -8.995 -4.828 1.00 0.00 H new ATOM 1417 N ILE A 97 5.554 -7.934 -2.365 1.00 0.00 N ATOM 1418 CA ILE A 97 5.669 -7.795 -0.923 1.00 0.00 C ATOM 1419 C ILE A 97 5.342 -9.133 -0.258 1.00 0.00 C ATOM 1420 O ILE A 97 4.595 -9.939 -0.810 1.00 0.00 O ATOM 1421 CB ILE A 97 4.804 -6.634 -0.427 1.00 0.00 C ATOM 1422 CG1 ILE A 97 5.411 -5.288 -0.827 1.00 0.00 C ATOM 1423 CG2 ILE A 97 4.570 -6.731 1.082 1.00 0.00 C ATOM 1424 CD1 ILE A 97 4.318 -4.277 -1.181 1.00 0.00 C ATOM 0 H ILE A 97 4.607 -8.109 -2.703 1.00 0.00 H new ATOM 0 HA ILE A 97 6.692 -7.542 -0.645 1.00 0.00 H new ATOM 0 HB ILE A 97 3.829 -6.704 -0.910 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.018 -4.901 -0.008 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.076 -5.424 -1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.953 -5.894 1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.063 -7.668 1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.528 -6.700 1.601 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.777 -3.329 -1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.728 -4.656 -2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.670 -4.125 -0.318 1.00 0.00 H new ATOM 1436 N GLU A 98 5.919 -9.330 0.919 1.00 0.00 N ATOM 1437 CA GLU A 98 5.698 -10.557 1.665 1.00 0.00 C ATOM 1438 C GLU A 98 4.887 -10.270 2.930 1.00 0.00 C ATOM 1439 O GLU A 98 5.213 -9.356 3.687 1.00 0.00 O ATOM 1440 CB GLU A 98 7.026 -11.236 2.007 1.00 0.00 C ATOM 1441 CG GLU A 98 6.798 -12.485 2.862 1.00 0.00 C ATOM 1442 CD GLU A 98 8.079 -12.887 3.596 1.00 0.00 C ATOM 1443 OE1 GLU A 98 9.130 -12.934 2.921 1.00 0.00 O ATOM 1444 OE2 GLU A 98 7.978 -13.140 4.816 1.00 0.00 O ATOM 0 H GLU A 98 6.539 -8.660 1.374 1.00 0.00 H new ATOM 0 HA GLU A 98 5.127 -11.243 1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.546 -11.509 1.089 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.669 -10.537 2.542 1.00 0.00 H new ATOM 0 HG2 GLU A 98 6.004 -12.296 3.585 1.00 0.00 H new ATOM 0 HG3 GLU A 98 6.463 -13.307 2.229 1.00 0.00 H new ATOM 1451 N GLU A 99 3.846 -11.067 3.121 1.00 0.00 N ATOM 1452 CA GLU A 99 2.986 -10.911 4.281 1.00 0.00 C ATOM 1453 C GLU A 99 3.538 -11.711 5.463 1.00 0.00 C ATOM 1454 O GLU A 99 4.524 -12.433 5.322 1.00 0.00 O ATOM 1455 CB GLU A 99 1.550 -11.328 3.959 1.00 0.00 C ATOM 1456 CG GLU A 99 0.972 -10.475 2.828 1.00 0.00 C ATOM 1457 CD GLU A 99 -0.444 -10.930 2.466 1.00 0.00 C ATOM 1458 OE1 GLU A 99 -0.697 -12.148 2.589 1.00 0.00 O ATOM 1459 OE2 GLU A 99 -1.240 -10.050 2.076 1.00 0.00 O ATOM 0 H GLU A 99 3.579 -11.823 2.491 1.00 0.00 H new ATOM 0 HA GLU A 99 2.970 -9.857 4.557 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.528 -12.380 3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.930 -11.226 4.849 1.00 0.00 H new ATOM 0 HG2 GLU A 99 0.955 -9.428 3.130 1.00 0.00 H new ATOM 0 HG3 GLU A 99 1.615 -10.544 1.951 1.00 0.00 H new ATOM 1466 N ALA A 100 2.878 -11.556 6.601 1.00 0.00 N ATOM 1467 CA ALA A 100 3.289 -12.255 7.806 1.00 0.00 C ATOM 1468 C ALA A 100 2.633 -13.637 7.838 1.00 0.00 C ATOM 1469 O ALA A 100 3.132 -14.550 8.496 1.00 0.00 O ATOM 1470 CB ALA A 100 2.934 -11.413 9.032 1.00 0.00 C ATOM 0 H ALA A 100 2.061 -10.956 6.714 1.00 0.00 H new ATOM 0 HA ALA A 100 4.369 -12.402 7.814 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.243 -11.938 9.936 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.449 -10.454 8.976 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.857 -11.246 9.059 1.00 0.00 H new ATOM 1476 N SER A 101 1.526 -13.748 7.120 1.00 0.00 N ATOM 1477 CA SER A 101 0.797 -15.003 7.058 1.00 0.00 C ATOM 1478 C SER A 101 1.576 -16.020 6.221 1.00 0.00 C ATOM 1479 O SER A 101 1.286 -17.215 6.262 1.00 0.00 O ATOM 1480 CB SER A 101 -0.603 -14.799 6.475 1.00 0.00 C ATOM 1481 OG SER A 101 -1.617 -14.907 7.471 1.00 0.00 O ATOM 0 H SER A 101 1.116 -12.989 6.576 1.00 0.00 H new ATOM 0 HA SER A 101 0.687 -15.384 8.073 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.660 -13.818 6.004 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.782 -15.538 5.694 1.00 0.00 H new ATOM 0 HG SER A 101 -2.496 -14.769 7.060 1.00 0.00 H new ATOM 1487 N GLY A 102 2.549 -15.509 5.482 1.00 0.00 N ATOM 1488 CA GLY A 102 3.373 -16.358 4.638 1.00 0.00 C ATOM 1489 C GLY A 102 3.072 -16.115 3.157 1.00 0.00 C ATOM 1490 O GLY A 102 3.891 -16.429 2.295 1.00 0.00 O ATOM 0 H GLY A 102 2.786 -14.517 5.450 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.427 -16.161 4.836 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.193 -17.405 4.883 1.00 0.00 H new ATOM 1494 N ALA A 103 1.896 -15.557 2.909 1.00 0.00 N ATOM 1495 CA ALA A 103 1.478 -15.268 1.548 1.00 0.00 C ATOM 1496 C ALA A 103 2.192 -14.007 1.056 1.00 0.00 C ATOM 1497 O ALA A 103 2.581 -13.158 1.856 1.00 0.00 O ATOM 1498 CB ALA A 103 -0.045 -15.132 1.500 1.00 0.00 C ATOM 0 H ALA A 103 1.220 -15.298 3.627 1.00 0.00 H new ATOM 0 HA ALA A 103 1.754 -16.084 0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.359 -14.915 0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.504 -16.064 1.831 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.359 -14.320 2.156 1.00 0.00 H new ATOM 1504 N PHE A 104 2.343 -13.925 -0.258 1.00 0.00 N ATOM 1505 CA PHE A 104 3.003 -12.783 -0.865 1.00 0.00 C ATOM 1506 C PHE A 104 2.010 -11.936 -1.664 1.00 0.00 C ATOM 1507 O PHE A 104 1.017 -12.453 -2.174 1.00 0.00 O ATOM 1508 CB PHE A 104 4.066 -13.335 -1.818 1.00 0.00 C ATOM 1509 CG PHE A 104 5.467 -13.416 -1.208 1.00 0.00 C ATOM 1510 CD1 PHE A 104 5.765 -14.402 -0.320 1.00 0.00 C ATOM 1511 CD2 PHE A 104 6.413 -12.503 -1.553 1.00 0.00 C ATOM 1512 CE1 PHE A 104 7.065 -14.478 0.246 1.00 0.00 C ATOM 1513 CE2 PHE A 104 7.713 -12.578 -0.987 1.00 0.00 C ATOM 1514 CZ PHE A 104 8.012 -13.564 -0.099 1.00 0.00 C ATOM 0 H PHE A 104 2.019 -14.631 -0.919 1.00 0.00 H new ATOM 0 HA PHE A 104 3.438 -12.151 -0.091 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.765 -14.330 -2.144 1.00 0.00 H new ATOM 0 HB3 PHE A 104 4.104 -12.706 -2.707 1.00 0.00 H new ATOM 0 HD1 PHE A 104 5.013 -15.127 -0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 104 6.176 -11.720 -2.258 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.302 -15.261 0.951 1.00 0.00 H new ATOM 0 HE2 PHE A 104 8.464 -11.852 -1.261 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.001 -13.621 0.332 1.00 0.00 H new ATOM 1524 N VAL A 105 2.312 -10.649 -1.747 1.00 0.00 N ATOM 1525 CA VAL A 105 1.458 -9.725 -2.475 1.00 0.00 C ATOM 1526 C VAL A 105 2.264 -9.069 -3.597 1.00 0.00 C ATOM 1527 O VAL A 105 3.478 -8.908 -3.483 1.00 0.00 O ATOM 1528 CB VAL A 105 0.841 -8.711 -1.509 1.00 0.00 C ATOM 1529 CG1 VAL A 105 -0.005 -7.682 -2.262 1.00 0.00 C ATOM 1530 CG2 VAL A 105 0.018 -9.414 -0.428 1.00 0.00 C ATOM 0 H VAL A 105 3.136 -10.224 -1.322 1.00 0.00 H new ATOM 0 HA VAL A 105 0.628 -10.257 -2.940 1.00 0.00 H new ATOM 0 HB VAL A 105 1.655 -8.179 -1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.432 -6.973 -1.553 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.622 -7.148 -2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.808 -8.191 -2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.409 -8.671 0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.785 -9.984 -0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.661 -10.089 0.138 1.00 0.00 H new ATOM 1540 N TYR A 106 1.556 -8.707 -4.657 1.00 0.00 N ATOM 1541 CA TYR A 106 2.190 -8.072 -5.800 1.00 0.00 C ATOM 1542 C TYR A 106 1.384 -6.859 -6.270 1.00 0.00 C ATOM 1543 O TYR A 106 0.155 -6.887 -6.267 1.00 0.00 O ATOM 1544 CB TYR A 106 2.205 -9.122 -6.912 1.00 0.00 C ATOM 1545 CG TYR A 106 2.758 -10.481 -6.478 1.00 0.00 C ATOM 1546 CD1 TYR A 106 4.111 -10.737 -6.573 1.00 0.00 C ATOM 1547 CD2 TYR A 106 1.905 -11.450 -5.992 1.00 0.00 C ATOM 1548 CE1 TYR A 106 4.632 -12.015 -6.164 1.00 0.00 C ATOM 1549 CE2 TYR A 106 2.426 -12.729 -5.583 1.00 0.00 C ATOM 1550 CZ TYR A 106 3.764 -12.948 -5.690 1.00 0.00 C ATOM 1551 OH TYR A 106 4.256 -14.156 -5.304 1.00 0.00 O ATOM 0 H TYR A 106 0.549 -8.841 -4.748 1.00 0.00 H new ATOM 0 HA TYR A 106 3.190 -7.725 -5.540 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.189 -9.257 -7.284 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.802 -8.747 -7.743 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.779 -9.979 -6.954 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.846 -11.250 -5.918 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.689 -12.228 -6.232 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.769 -13.496 -5.200 1.00 0.00 H new ATOM 0 HH TYR A 106 3.522 -14.722 -4.986 1.00 0.00 H new ATOM 1561 N LEU A 107 2.110 -5.823 -6.663 1.00 0.00 N ATOM 1562 CA LEU A 107 1.478 -4.603 -7.135 1.00 0.00 C ATOM 1563 C LEU A 107 1.298 -4.681 -8.653 1.00 0.00 C ATOM 1564 O LEU A 107 2.100 -4.131 -9.406 1.00 0.00 O ATOM 1565 CB LEU A 107 2.268 -3.377 -6.672 1.00 0.00 C ATOM 1566 CG LEU A 107 2.737 -3.392 -5.216 1.00 0.00 C ATOM 1567 CD1 LEU A 107 3.999 -4.242 -5.056 1.00 0.00 C ATOM 1568 CD2 LEU A 107 2.934 -1.969 -4.688 1.00 0.00 C ATOM 0 H LEU A 107 3.130 -5.803 -6.664 1.00 0.00 H new ATOM 0 HA LEU A 107 0.484 -4.496 -6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.143 -3.270 -7.314 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.650 -2.492 -6.825 1.00 0.00 H new ATOM 0 HG LEU A 107 1.957 -3.855 -4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.312 -4.236 -4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.790 -5.266 -5.366 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.796 -3.831 -5.676 1.00 0.00 H new ATOM 0 HD21 LEU A 107 3.267 -2.009 -3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.684 -1.458 -5.291 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.991 -1.426 -4.745 1.00 0.00 H new ATOM 1580 N ARG A 108 0.240 -5.369 -9.056 1.00 0.00 N ATOM 1581 CA ARG A 108 -0.056 -5.526 -10.470 1.00 0.00 C ATOM 1582 C ARG A 108 -0.343 -4.165 -11.107 1.00 0.00 C ATOM 1583 O ARG A 108 0.264 -3.807 -12.115 1.00 0.00 O ATOM 1584 CB ARG A 108 -1.261 -6.445 -10.682 1.00 0.00 C ATOM 1585 CG ARG A 108 -0.870 -7.913 -10.496 1.00 0.00 C ATOM 1586 CD ARG A 108 -1.838 -8.836 -11.239 1.00 0.00 C ATOM 1587 NE ARG A 108 -1.599 -8.751 -12.698 1.00 0.00 N ATOM 1588 CZ ARG A 108 -2.468 -9.170 -13.627 1.00 0.00 C ATOM 1589 NH1 ARG A 108 -3.640 -9.705 -13.256 1.00 0.00 N ATOM 1590 NH2 ARG A 108 -2.167 -9.054 -14.927 1.00 0.00 N ATOM 0 H ARG A 108 -0.423 -5.824 -8.428 1.00 0.00 H new ATOM 0 HA ARG A 108 0.817 -5.975 -10.943 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -2.051 -6.183 -9.978 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -1.665 -6.296 -11.684 1.00 0.00 H new ATOM 0 HG2 ARG A 108 0.144 -8.072 -10.863 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -0.868 -8.161 -9.435 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -1.707 -9.864 -10.900 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.867 -8.555 -11.014 1.00 0.00 H new ATOM 0 HE ARG A 108 -0.717 -8.348 -13.015 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -3.870 -9.793 -12.266 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -4.302 -10.024 -13.964 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -1.276 -8.646 -15.210 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -2.829 -9.373 -15.634 1.00 0.00 H new ATOM 1604 N GLN A 109 -1.268 -3.443 -10.492 1.00 0.00 N ATOM 1605 CA GLN A 109 -1.643 -2.129 -10.986 1.00 0.00 C ATOM 1606 C GLN A 109 -2.080 -1.231 -9.827 1.00 0.00 C ATOM 1607 O GLN A 109 -2.663 -1.706 -8.854 1.00 0.00 O ATOM 1608 CB GLN A 109 -2.744 -2.234 -12.043 1.00 0.00 C ATOM 1609 CG GLN A 109 -4.118 -2.397 -11.390 1.00 0.00 C ATOM 1610 CD GLN A 109 -4.885 -3.566 -12.010 1.00 0.00 C ATOM 1611 OE1 GLN A 109 -5.433 -3.476 -13.097 1.00 0.00 O ATOM 1612 NE2 GLN A 109 -4.894 -4.665 -11.261 1.00 0.00 N ATOM 0 H GLN A 109 -1.769 -3.743 -9.656 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.771 -1.679 -11.460 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -2.738 -1.342 -12.669 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -2.545 -3.083 -12.697 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -3.998 -2.563 -10.319 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -4.692 -1.478 -11.508 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -4.415 -4.672 -10.361 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -5.380 -5.500 -11.587 1.00 0.00 H new ATOM 1621 N PRO A 110 -1.774 0.086 -9.973 1.00 0.00 N ATOM 1622 CA PRO A 110 -2.129 1.055 -8.950 1.00 0.00 C ATOM 1623 C PRO A 110 -3.627 1.364 -8.984 1.00 0.00 C ATOM 1624 O PRO A 110 -4.310 1.038 -9.954 1.00 0.00 O ATOM 1625 CB PRO A 110 -1.265 2.271 -9.244 1.00 0.00 C ATOM 1626 CG PRO A 110 -0.802 2.116 -10.683 1.00 0.00 C ATOM 1627 CD PRO A 110 -1.084 0.686 -11.112 1.00 0.00 C ATOM 0 HA PRO A 110 -1.946 0.687 -7.940 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -1.831 3.193 -9.113 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.415 2.320 -8.563 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -1.326 2.819 -11.330 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.262 2.337 -10.768 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.702 0.656 -12.010 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.162 0.152 -11.342 1.00 0.00 H new ATOM 1635 N TYR A 111 -4.094 1.990 -7.913 1.00 0.00 N ATOM 1636 CA TYR A 111 -5.498 2.346 -7.808 1.00 0.00 C ATOM 1637 C TYR A 111 -5.681 3.865 -7.827 1.00 0.00 C ATOM 1638 O TYR A 111 -4.967 4.589 -7.135 1.00 0.00 O ATOM 1639 CB TYR A 111 -5.971 1.804 -6.457 1.00 0.00 C ATOM 1640 CG TYR A 111 -7.359 2.296 -6.041 1.00 0.00 C ATOM 1641 CD1 TYR A 111 -8.488 1.686 -6.549 1.00 0.00 C ATOM 1642 CD2 TYR A 111 -7.481 3.348 -5.157 1.00 0.00 C ATOM 1643 CE1 TYR A 111 -9.794 2.149 -6.157 1.00 0.00 C ATOM 1644 CE2 TYR A 111 -8.788 3.811 -4.765 1.00 0.00 C ATOM 1645 CZ TYR A 111 -9.879 3.188 -5.284 1.00 0.00 C ATOM 1646 OH TYR A 111 -11.113 3.625 -4.914 1.00 0.00 O ATOM 0 H TYR A 111 -3.524 2.259 -7.111 1.00 0.00 H new ATOM 0 HA TYR A 111 -6.062 1.934 -8.644 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -5.980 0.715 -6.497 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -5.251 2.089 -5.690 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -8.392 0.862 -7.240 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -6.597 3.824 -4.759 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -10.686 1.682 -6.548 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -8.898 4.634 -4.075 1.00 0.00 H new ATOM 0 HH TYR A 111 -11.707 2.856 -4.784 1.00 0.00 H new ATOM 1656 N TYR A 112 -6.642 4.303 -8.627 1.00 0.00 N ATOM 1657 CA TYR A 112 -6.928 5.723 -8.746 1.00 0.00 C ATOM 1658 C TYR A 112 -8.269 6.068 -8.095 1.00 0.00 C ATOM 1659 O TYR A 112 -9.044 5.177 -7.751 1.00 0.00 O ATOM 1660 CB TYR A 112 -7.013 6.013 -10.246 1.00 0.00 C ATOM 1661 CG TYR A 112 -5.686 5.840 -10.988 1.00 0.00 C ATOM 1662 CD1 TYR A 112 -5.090 4.598 -11.057 1.00 0.00 C ATOM 1663 CD2 TYR A 112 -5.086 6.928 -11.590 1.00 0.00 C ATOM 1664 CE1 TYR A 112 -3.842 4.436 -11.756 1.00 0.00 C ATOM 1665 CE2 TYR A 112 -3.837 6.766 -12.289 1.00 0.00 C ATOM 1666 CZ TYR A 112 -3.277 5.528 -12.338 1.00 0.00 C ATOM 1667 OH TYR A 112 -2.098 5.375 -12.998 1.00 0.00 O ATOM 0 H TYR A 112 -7.233 3.700 -9.199 1.00 0.00 H new ATOM 0 HA TYR A 112 -6.157 6.312 -8.250 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -7.756 5.352 -10.692 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -7.367 7.034 -10.389 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -5.560 3.747 -10.587 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -5.553 7.900 -11.537 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -3.365 3.469 -11.817 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -3.356 7.609 -12.763 1.00 0.00 H new ATOM 0 HH TYR A 112 -1.813 6.238 -13.364 1.00 0.00 H new ATOM 1677 N SER A 113 -8.502 7.364 -7.947 1.00 0.00 N ATOM 1678 CA SER A 113 -9.737 7.838 -7.344 1.00 0.00 C ATOM 1679 C SER A 113 -10.327 8.972 -8.184 1.00 0.00 C ATOM 1680 O SER A 113 -11.525 8.983 -8.464 1.00 0.00 O ATOM 1681 CB SER A 113 -9.502 8.308 -5.907 1.00 0.00 C ATOM 1682 OG SER A 113 -10.317 9.428 -5.572 1.00 0.00 O ATOM 0 H SER A 113 -7.857 8.100 -8.234 1.00 0.00 H new ATOM 0 HA SER A 113 -10.445 7.010 -7.316 1.00 0.00 H new ATOM 0 HB2 SER A 113 -9.711 7.489 -5.219 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.452 8.572 -5.779 1.00 0.00 H new ATOM 0 HG SER A 113 -10.139 9.697 -4.647 1.00 0.00 H new ATOM 1688 N GLY A 114 -9.460 9.900 -8.562 1.00 0.00 N ATOM 1689 CA GLY A 114 -9.881 11.036 -9.364 1.00 0.00 C ATOM 1690 C GLY A 114 -10.897 11.894 -8.608 1.00 0.00 C ATOM 1691 O GLY A 114 -11.502 11.438 -7.639 1.00 0.00 O ATOM 0 H GLY A 114 -8.467 9.888 -8.327 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.014 11.641 -9.628 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.320 10.684 -10.298 1.00 0.00 H new ATOM 1695 N PRO A 115 -11.057 13.155 -9.092 1.00 0.00 N ATOM 1696 CA PRO A 115 -11.989 14.082 -8.473 1.00 0.00 C ATOM 1697 C PRO A 115 -13.434 13.725 -8.828 1.00 0.00 C ATOM 1698 O PRO A 115 -13.676 12.841 -9.648 1.00 0.00 O ATOM 1699 CB PRO A 115 -11.575 15.454 -8.979 1.00 0.00 C ATOM 1700 CG PRO A 115 -10.730 15.203 -10.217 1.00 0.00 C ATOM 1701 CD PRO A 115 -10.358 13.730 -10.238 1.00 0.00 C ATOM 0 HA PRO A 115 -11.956 14.047 -7.384 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -12.448 16.062 -9.218 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -11.008 15.995 -8.222 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.284 15.469 -11.117 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -9.833 15.823 -10.199 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -10.668 13.256 -11.169 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -9.280 13.593 -10.154 1.00 0.00 H new ATOM 1709 N SER A 116 -14.358 14.431 -8.192 1.00 0.00 N ATOM 1710 CA SER A 116 -15.772 14.200 -8.430 1.00 0.00 C ATOM 1711 C SER A 116 -16.068 12.699 -8.409 1.00 0.00 C ATOM 1712 O SER A 116 -16.145 12.063 -9.459 1.00 0.00 O ATOM 1713 CB SER A 116 -16.213 14.809 -9.763 1.00 0.00 C ATOM 1714 OG SER A 116 -16.830 16.082 -9.590 1.00 0.00 O ATOM 0 H SER A 116 -14.154 15.163 -7.512 1.00 0.00 H new ATOM 0 HA SER A 116 -16.336 14.686 -7.634 1.00 0.00 H new ATOM 0 HB2 SER A 116 -15.348 14.911 -10.419 1.00 0.00 H new ATOM 0 HB3 SER A 116 -16.910 14.133 -10.258 1.00 0.00 H new ATOM 0 HG SER A 116 -17.096 16.438 -10.463 1.00 0.00 H new ATOM 1720 N SER A 117 -16.225 12.177 -7.202 1.00 0.00 N ATOM 1721 CA SER A 117 -16.511 10.763 -7.030 1.00 0.00 C ATOM 1722 C SER A 117 -17.035 10.502 -5.616 1.00 0.00 C ATOM 1723 O SER A 117 -16.693 11.225 -4.681 1.00 0.00 O ATOM 1724 CB SER A 117 -15.268 9.913 -7.300 1.00 0.00 C ATOM 1725 OG SER A 117 -15.585 8.529 -7.430 1.00 0.00 O ATOM 0 H SER A 117 -16.160 12.708 -6.333 1.00 0.00 H new ATOM 0 HA SER A 117 -17.277 10.479 -7.752 1.00 0.00 H new ATOM 0 HB2 SER A 117 -14.782 10.261 -8.212 1.00 0.00 H new ATOM 0 HB3 SER A 117 -14.554 10.047 -6.487 1.00 0.00 H new ATOM 0 HG SER A 117 -14.765 8.021 -7.603 1.00 0.00 H new ATOM 1731 N GLY A 118 -17.855 9.468 -5.504 1.00 0.00 N ATOM 1732 CA GLY A 118 -18.429 9.104 -4.220 1.00 0.00 C ATOM 1733 C GLY A 118 -19.004 10.330 -3.509 1.00 0.00 C ATOM 1734 O GLY A 118 -18.586 10.663 -2.402 1.00 0.00 O ATOM 0 H GLY A 118 -18.136 8.870 -6.282 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -19.214 8.362 -4.366 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -17.666 8.641 -3.595 1.00 0.00 H new TER 1738 GLY A 118