USER MOD reduce.3.24.130724 H: found=0, std=0, add=1359, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1359 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 125 SER OG : rot -114:sc= 1.19 USER MOD Set 1.2: A 126 GLN : amide:sc= 1.01 K(o=2.2,f=-2.5) USER MOD Set 2.1: A 124 LYS NZ :NH3+ -174:sc= 1.01 (180deg=0.691) USER MOD Set 2.2: A 133 TYR OH : rot 99:sc= 0.148 USER MOD Set 3.1: A 79 SER OG : rot -172:sc= 2.13 USER MOD Set 3.2: A 105 SER OG : rot 135:sc= 1.22 USER MOD Set 4.1: A 98 HIS : no HE2:sc= -1.87 K(o=-0.44,f=-1.6) USER MOD Set 4.2: A 100 SER OG : rot -144:sc= 1.43 USER MOD Set 5.1: A 62 TYR OH : rot 51:sc= 0.621 USER MOD Set 5.2: A 70 GLN : amide:sc= 0.575 K(o=1.2,f=-0.15) USER MOD Set 6.1: A 31 SER OG : rot 34:sc= 1.29 USER MOD Set 6.2: A 34 GLN : amide:sc= 1.08 K(o=2.4,f=-3.3) USER MOD Set 7.1: A 1 GLY N :NH3+ 159:sc= 1.99 (180deg=0.454) USER MOD Set 7.2: A 4 HIS : no HE2:sc= 1.01 K(o=3,f=-8.2!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 37:sc= 0.597 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.0192 X(o=0.019,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 169:sc= 1.28 (180deg=1.06) USER MOD Single : A 25 GLN : amide:sc= 0.978 K(o=0.98,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -134:sc= 1.22 (180deg=-0.586) USER MOD Single : A 45 THR OG1 : rot -18:sc= 1.18 USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot -62:sc= 0.225 USER MOD Single : A 53 THR OG1 : rot 158:sc= 1.25 USER MOD Single : A 54 THR OG1 : rot 41:sc= 1.14 USER MOD Single : A 59 LYS NZ :NH3+ -102:sc= 0.238 (180deg=-1.09!) USER MOD Single : A 64 LYS NZ :NH3+ 159:sc= 0.449 (180deg=0.239) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0.961 (180deg=0.961) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot -152:sc= 0.734 USER MOD Single : A 95 LYS NZ :NH3+ 172:sc= 0.87 (180deg=0.446) USER MOD Single : A 107 SER OG : rot 153:sc= 1.24 USER MOD Single : A 116 GLN : amide:sc= -0.36 X(o=-0.36,f=0) USER MOD Single : A 117 THR OG1 : rot 108:sc= 1.21 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 1.22 K(o=1.2,f=-0.48) USER MOD Single : A 127 TYR OH : rot -45:sc= 0.145 USER MOD Single : A 137 HIS : no HE2:sc= -0.495 K(o=-0.5,f=-9.3!) USER MOD Single : A 138 THR OG1 : rot -167:sc= 0.376 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ 169:sc= 2.08 (180deg=2.01) USER MOD Single : A 153 TYR OH : rot -178:sc= 1.23 USER MOD Single : A 154 SER OG : rot 180:sc= 0.0436 USER MOD Single : A 157 LYS NZ :NH3+ -177:sc= 0.99 (180deg=0.921) USER MOD Single : A 161 THR OG1 : rot 180:sc=-0.00356 USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.098 16.441 12.379 1.00 8.50 N ATOM 2 CA GLY A 1 16.660 16.020 13.676 1.00 8.51 C ATOM 3 C GLY A 1 17.970 16.749 13.833 1.00 7.99 C ATOM 4 O GLY A 1 17.957 17.971 13.801 1.00 8.20 O ATOM 0 H1 GLY A 1 15.406 15.735 12.055 1.00 8.50 H new ATOM 0 H2 GLY A 1 15.628 17.362 12.487 1.00 8.50 H new ATOM 0 H3 GLY A 1 16.863 16.523 11.679 1.00 8.50 H new ATOM 0 HA2 GLY A 1 15.980 16.265 14.491 1.00 8.51 H new ATOM 0 HA3 GLY A 1 16.811 14.941 13.701 1.00 8.51 H new ATOM 10 N ALA A 2 19.087 16.020 13.794 1.00 7.89 N ATOM 11 CA ALA A 2 20.220 16.461 12.973 1.00 7.60 C ATOM 12 C ALA A 2 19.862 16.179 11.491 1.00 6.41 C ATOM 13 O ALA A 2 18.710 16.384 11.088 1.00 6.23 O ATOM 14 CB ALA A 2 21.482 15.745 13.486 1.00 8.64 C ATOM 0 H ALA A 2 19.232 15.148 14.303 1.00 7.89 H new ATOM 0 HA ALA A 2 20.426 17.529 13.044 1.00 7.60 H new ATOM 0 HB1 ALA A 2 22.342 16.054 12.893 1.00 8.64 H new ATOM 0 HB2 ALA A 2 21.649 16.006 14.531 1.00 8.64 H new ATOM 0 HB3 ALA A 2 21.350 14.667 13.398 1.00 8.64 H new ATOM 20 N MET A 3 20.782 15.608 10.706 1.00 6.08 N ATOM 21 CA MET A 3 20.431 14.905 9.459 1.00 5.12 C ATOM 22 C MET A 3 19.475 13.726 9.733 1.00 4.53 C ATOM 23 O MET A 3 19.345 13.262 10.865 1.00 5.19 O ATOM 24 CB MET A 3 21.707 14.423 8.750 1.00 5.68 C ATOM 25 CG MET A 3 22.576 15.592 8.272 1.00 6.43 C ATOM 26 SD MET A 3 24.091 15.056 7.444 1.00 7.32 S ATOM 27 CE MET A 3 24.789 16.677 7.039 1.00 8.26 C ATOM 0 H MET A 3 21.781 15.617 10.910 1.00 6.08 H new ATOM 0 HA MET A 3 19.910 15.604 8.805 1.00 5.12 H new ATOM 0 HB2 MET A 3 22.285 13.796 9.430 1.00 5.68 H new ATOM 0 HB3 MET A 3 21.435 13.801 7.897 1.00 5.68 H new ATOM 0 HG2 MET A 3 21.996 16.213 7.589 1.00 6.43 H new ATOM 0 HG3 MET A 3 22.837 16.216 9.127 1.00 6.43 H new ATOM 0 HE1 MET A 3 25.737 16.545 6.518 1.00 8.26 H new ATOM 0 HE2 MET A 3 24.096 17.222 6.398 1.00 8.26 H new ATOM 0 HE3 MET A 3 24.955 17.241 7.957 1.00 8.26 H new ATOM 37 N HIS A 4 18.786 13.248 8.698 1.00 3.51 N ATOM 38 CA HIS A 4 17.975 12.023 8.727 1.00 3.09 C ATOM 39 C HIS A 4 18.582 11.008 7.745 1.00 3.07 C ATOM 40 O HIS A 4 19.259 11.410 6.793 1.00 3.46 O ATOM 41 CB HIS A 4 16.517 12.335 8.323 1.00 2.72 C ATOM 42 CG HIS A 4 15.654 12.953 9.401 1.00 3.58 C ATOM 43 ND1 HIS A 4 14.328 12.663 9.634 1.00 4.61 N ATOM 44 CD2 HIS A 4 16.013 13.910 10.312 1.00 4.39 C ATOM 45 CE1 HIS A 4 13.909 13.416 10.663 1.00 5.60 C ATOM 46 NE2 HIS A 4 14.906 14.201 11.118 1.00 5.42 N ATOM 0 H HIS A 4 18.773 13.712 7.790 1.00 3.51 H new ATOM 0 HA HIS A 4 17.972 11.611 9.736 1.00 3.09 H new ATOM 0 HB2 HIS A 4 16.533 13.009 7.466 1.00 2.72 H new ATOM 0 HB3 HIS A 4 16.045 11.410 7.992 1.00 2.72 H new ATOM 0 HD1 HIS A 4 13.762 11.992 9.114 1.00 4.61 H new ATOM 0 HD2 HIS A 4 16.989 14.365 10.395 1.00 4.39 H new ATOM 0 HE1 HIS A 4 12.909 13.396 11.071 1.00 5.60 H new ATOM 55 N THR A 5 18.317 9.714 7.957 1.00 2.67 N ATOM 56 CA THR A 5 18.697 8.624 7.052 1.00 2.51 C ATOM 57 C THR A 5 17.463 8.102 6.333 1.00 1.98 C ATOM 58 O THR A 5 16.522 7.656 6.991 1.00 2.61 O ATOM 59 CB THR A 5 19.353 7.465 7.814 1.00 3.49 C ATOM 60 OG1 THR A 5 18.487 7.067 8.849 1.00 4.32 O ATOM 61 CG2 THR A 5 20.698 7.860 8.423 1.00 4.40 C ATOM 0 H THR A 5 17.819 9.388 8.785 1.00 2.67 H new ATOM 0 HA THR A 5 19.416 9.022 6.336 1.00 2.51 H new ATOM 0 HB THR A 5 19.534 6.655 7.107 1.00 3.49 H new ATOM 0 HG1 THR A 5 17.559 7.128 8.541 1.00 4.32 H new ATOM 0 HG21 THR A 5 21.123 7.007 8.952 1.00 4.40 H new ATOM 0 HG22 THR A 5 21.379 8.171 7.631 1.00 4.40 H new ATOM 0 HG23 THR A 5 20.553 8.684 9.122 1.00 4.40 H new ATOM 69 N PHE A 6 17.507 8.109 5.004 1.00 1.58 N ATOM 70 CA PHE A 6 16.598 7.326 4.166 1.00 1.89 C ATOM 71 C PHE A 6 16.935 5.829 4.302 1.00 2.23 C ATOM 72 O PHE A 6 18.057 5.467 4.666 1.00 2.74 O ATOM 73 CB PHE A 6 16.713 7.774 2.698 1.00 2.90 C ATOM 74 CG PHE A 6 16.475 9.253 2.438 1.00 3.18 C ATOM 75 CD1 PHE A 6 17.549 10.162 2.480 1.00 3.67 C ATOM 76 CD2 PHE A 6 15.179 9.725 2.150 1.00 4.00 C ATOM 77 CE1 PHE A 6 17.331 11.532 2.255 1.00 4.14 C ATOM 78 CE2 PHE A 6 14.961 11.093 1.913 1.00 4.76 C ATOM 79 CZ PHE A 6 16.036 12.001 1.972 1.00 4.56 C ATOM 0 H PHE A 6 18.179 8.662 4.472 1.00 1.58 H new ATOM 0 HA PHE A 6 15.572 7.489 4.495 1.00 1.89 H new ATOM 0 HB2 PHE A 6 17.708 7.516 2.336 1.00 2.90 H new ATOM 0 HB3 PHE A 6 16.000 7.201 2.106 1.00 2.90 H new ATOM 0 HD1 PHE A 6 18.547 9.804 2.686 1.00 3.67 H new ATOM 0 HD2 PHE A 6 14.350 9.033 2.111 1.00 4.00 H new ATOM 0 HE1 PHE A 6 18.158 12.225 2.299 1.00 4.14 H new ATOM 0 HE2 PHE A 6 13.967 11.449 1.685 1.00 4.76 H new ATOM 0 HZ PHE A 6 15.866 13.054 1.800 1.00 4.56 H new ATOM 89 N TYR A 7 15.980 4.966 3.956 1.00 1.42 N ATOM 90 CA TYR A 7 16.145 3.507 3.949 1.00 1.28 C ATOM 91 C TYR A 7 15.284 2.796 2.886 1.00 1.31 C ATOM 92 O TYR A 7 15.593 1.658 2.530 1.00 1.39 O ATOM 93 CB TYR A 7 15.844 2.989 5.358 1.00 1.58 C ATOM 94 CG TYR A 7 16.167 1.526 5.595 1.00 1.42 C ATOM 95 CD1 TYR A 7 17.501 1.133 5.820 1.00 2.72 C ATOM 96 CD2 TYR A 7 15.139 0.561 5.627 1.00 2.05 C ATOM 97 CE1 TYR A 7 17.812 -0.217 6.081 1.00 3.24 C ATOM 98 CE2 TYR A 7 15.437 -0.785 5.913 1.00 2.26 C ATOM 99 CZ TYR A 7 16.779 -1.178 6.134 1.00 2.47 C ATOM 100 OH TYR A 7 17.076 -2.482 6.389 1.00 3.25 O ATOM 0 H TYR A 7 15.049 5.265 3.666 1.00 1.42 H new ATOM 0 HA TYR A 7 17.173 3.277 3.670 1.00 1.28 H new ATOM 0 HB2 TYR A 7 16.405 3.588 6.075 1.00 1.58 H new ATOM 0 HB3 TYR A 7 14.786 3.149 5.568 1.00 1.58 H new ATOM 0 HD1 TYR A 7 18.290 1.870 5.792 1.00 2.72 H new ATOM 0 HD2 TYR A 7 14.119 0.856 5.431 1.00 2.05 H new ATOM 0 HE1 TYR A 7 18.838 -0.515 6.240 1.00 3.24 H new ATOM 0 HE2 TYR A 7 14.644 -1.516 5.964 1.00 2.26 H new ATOM 0 HH TYR A 7 16.251 -3.011 6.392 1.00 3.25 H new ATOM 110 N GLY A 8 14.252 3.445 2.337 1.00 0.96 N ATOM 111 CA GLY A 8 13.608 3.001 1.094 1.00 0.88 C ATOM 112 C GLY A 8 14.406 3.435 -0.142 1.00 1.01 C ATOM 113 O GLY A 8 15.435 4.113 -0.041 1.00 1.31 O ATOM 0 H GLY A 8 13.841 4.288 2.738 1.00 0.96 H new ATOM 0 HA2 GLY A 8 13.510 1.915 1.102 1.00 0.88 H new ATOM 0 HA3 GLY A 8 12.600 3.411 1.039 1.00 0.88 H new ATOM 117 N THR A 9 13.927 3.070 -1.332 1.00 0.86 N ATOM 118 CA THR A 9 14.585 3.449 -2.595 1.00 0.93 C ATOM 119 C THR A 9 14.035 4.788 -3.055 1.00 1.14 C ATOM 120 O THR A 9 12.967 4.863 -3.667 1.00 1.06 O ATOM 121 CB THR A 9 14.430 2.395 -3.684 1.00 1.08 C ATOM 122 OG1 THR A 9 14.630 1.120 -3.117 1.00 1.21 O ATOM 123 CG2 THR A 9 15.447 2.603 -4.808 1.00 1.24 C ATOM 0 H THR A 9 13.083 2.510 -1.454 1.00 0.86 H new ATOM 0 HA THR A 9 15.656 3.528 -2.406 1.00 0.93 H new ATOM 0 HB THR A 9 13.428 2.480 -4.106 1.00 1.08 H new ATOM 0 HG1 THR A 9 14.531 0.434 -3.810 1.00 1.21 H new ATOM 0 HG21 THR A 9 15.310 1.835 -5.569 1.00 1.24 H new ATOM 0 HG22 THR A 9 15.300 3.586 -5.254 1.00 1.24 H new ATOM 0 HG23 THR A 9 16.456 2.536 -4.402 1.00 1.24 H new ATOM 131 N ARG A 10 14.750 5.865 -2.729 1.00 0.93 N ATOM 132 CA ARG A 10 14.341 7.233 -3.059 1.00 0.95 C ATOM 133 C ARG A 10 14.343 7.470 -4.569 1.00 1.39 C ATOM 134 O ARG A 10 15.346 7.233 -5.240 1.00 1.61 O ATOM 135 CB ARG A 10 15.214 8.263 -2.327 1.00 1.07 C ATOM 136 CG ARG A 10 14.649 9.679 -2.538 1.00 1.46 C ATOM 137 CD ARG A 10 15.440 10.767 -1.812 1.00 1.96 C ATOM 138 NE ARG A 10 16.753 11.029 -2.446 1.00 2.72 N ATOM 139 CZ ARG A 10 17.079 12.029 -3.269 1.00 3.64 C ATOM 140 NH1 ARG A 10 16.213 12.927 -3.691 1.00 3.99 N ATOM 141 NH2 ARG A 10 18.319 12.149 -3.701 1.00 4.95 N ATOM 0 H ARG A 10 15.635 5.814 -2.225 1.00 0.93 H new ATOM 0 HA ARG A 10 13.316 7.363 -2.713 1.00 0.95 H new ATOM 0 HB2 ARG A 10 15.248 8.031 -1.262 1.00 1.07 H new ATOM 0 HB3 ARG A 10 16.238 8.212 -2.697 1.00 1.07 H new ATOM 0 HG2 ARG A 10 14.637 9.901 -3.605 1.00 1.46 H new ATOM 0 HG3 ARG A 10 13.615 9.703 -2.195 1.00 1.46 H new ATOM 0 HD2 ARG A 10 14.857 11.688 -1.797 1.00 1.96 H new ATOM 0 HD3 ARG A 10 15.593 10.470 -0.775 1.00 1.96 H new ATOM 0 HE ARG A 10 17.497 10.366 -2.228 1.00 2.72 H new ATOM 0 HH11 ARG A 10 15.240 12.878 -3.389 1.00 3.99 H new ATOM 0 HH12 ARG A 10 16.515 13.671 -4.320 1.00 3.99 H new ATOM 0 HH21 ARG A 10 19.029 11.478 -3.407 1.00 4.95 H new ATOM 0 HH22 ARG A 10 18.568 12.913 -4.330 1.00 4.95 H new ATOM 155 N LEU A 11 13.247 8.025 -5.086 1.00 1.00 N ATOM 156 CA LEU A 11 13.096 8.333 -6.506 1.00 1.09 C ATOM 157 C LEU A 11 13.416 9.810 -6.750 1.00 1.60 C ATOM 158 O LEU A 11 12.801 10.697 -6.160 1.00 2.22 O ATOM 159 CB LEU A 11 11.687 7.945 -6.995 1.00 0.94 C ATOM 160 CG LEU A 11 11.306 6.462 -6.771 1.00 0.92 C ATOM 161 CD1 LEU A 11 9.955 6.187 -7.441 1.00 0.99 C ATOM 162 CD2 LEU A 11 12.351 5.481 -7.327 1.00 0.99 C ATOM 0 H LEU A 11 12.433 8.275 -4.525 1.00 1.00 H new ATOM 0 HA LEU A 11 13.804 7.743 -7.088 1.00 1.09 H new ATOM 0 HB2 LEU A 11 10.956 8.574 -6.487 1.00 0.94 H new ATOM 0 HB3 LEU A 11 11.614 8.167 -8.060 1.00 0.94 H new ATOM 0 HG LEU A 11 11.255 6.301 -5.694 1.00 0.92 H new ATOM 0 HD11 LEU A 11 9.679 5.144 -7.288 1.00 0.99 H new ATOM 0 HD12 LEU A 11 9.194 6.832 -7.003 1.00 0.99 H new ATOM 0 HD13 LEU A 11 10.031 6.389 -8.509 1.00 0.99 H new ATOM 0 HD21 LEU A 11 12.026 4.458 -7.139 1.00 0.99 H new ATOM 0 HD22 LEU A 11 12.460 5.635 -8.400 1.00 0.99 H new ATOM 0 HD23 LEU A 11 13.309 5.653 -6.837 1.00 0.99 H new ATOM 174 N LEU A 12 14.406 10.067 -7.609 1.00 1.27 N ATOM 175 CA LEU A 12 14.876 11.419 -7.941 1.00 1.46 C ATOM 176 C LEU A 12 14.029 12.071 -9.041 1.00 1.75 C ATOM 177 O LEU A 12 13.836 13.282 -9.020 1.00 2.20 O ATOM 178 CB LEU A 12 16.363 11.367 -8.339 1.00 1.71 C ATOM 179 CG LEU A 12 17.329 11.318 -7.138 1.00 2.14 C ATOM 180 CD1 LEU A 12 17.262 10.011 -6.329 1.00 3.24 C ATOM 181 CD2 LEU A 12 18.757 11.533 -7.642 1.00 2.75 C ATOM 0 H LEU A 12 14.913 9.332 -8.102 1.00 1.27 H new ATOM 0 HA LEU A 12 14.766 12.044 -7.055 1.00 1.46 H new ATOM 0 HB2 LEU A 12 16.531 10.490 -8.964 1.00 1.71 H new ATOM 0 HB3 LEU A 12 16.597 12.241 -8.946 1.00 1.71 H new ATOM 0 HG LEU A 12 17.020 12.111 -6.456 1.00 2.14 H new ATOM 0 HD11 LEU A 12 17.972 10.058 -5.503 1.00 3.24 H new ATOM 0 HD12 LEU A 12 16.254 9.878 -5.935 1.00 3.24 H new ATOM 0 HD13 LEU A 12 17.512 9.170 -6.975 1.00 3.24 H new ATOM 0 HD21 LEU A 12 19.449 11.500 -6.800 1.00 2.75 H new ATOM 0 HD22 LEU A 12 19.014 10.748 -8.353 1.00 2.75 H new ATOM 0 HD23 LEU A 12 18.828 12.504 -8.132 1.00 2.75 H new ATOM 193 N ASN A 13 13.490 11.265 -9.962 1.00 1.34 N ATOM 194 CA ASN A 13 12.597 11.690 -11.040 1.00 1.45 C ATOM 195 C ASN A 13 11.193 11.065 -10.825 1.00 1.42 C ATOM 196 O ASN A 13 10.868 10.053 -11.458 1.00 1.66 O ATOM 197 CB ASN A 13 13.267 11.297 -12.368 1.00 1.67 C ATOM 198 CG ASN A 13 12.530 11.852 -13.579 1.00 2.40 C ATOM 199 OD1 ASN A 13 12.792 12.952 -14.036 1.00 3.35 O ATOM 200 ND2 ASN A 13 11.574 11.118 -14.114 1.00 3.17 N ATOM 0 H ASN A 13 13.672 10.261 -9.976 1.00 1.34 H new ATOM 0 HA ASN A 13 12.437 12.768 -11.054 1.00 1.45 H new ATOM 0 HB2 ASN A 13 14.295 11.660 -12.374 1.00 1.67 H new ATOM 0 HB3 ASN A 13 13.312 10.210 -12.441 1.00 1.67 H new ATOM 0 HD21 ASN A 13 11.049 11.469 -14.915 1.00 3.17 H new ATOM 0 HD22 ASN A 13 11.360 10.199 -13.727 1.00 3.17 H new ATOM 207 N PRO A 14 10.391 11.594 -9.874 1.00 1.16 N ATOM 208 CA PRO A 14 9.162 10.959 -9.406 1.00 1.10 C ATOM 209 C PRO A 14 8.042 11.045 -10.443 1.00 1.26 C ATOM 210 O PRO A 14 7.759 12.105 -11.002 1.00 1.37 O ATOM 211 CB PRO A 14 8.800 11.677 -8.104 1.00 1.22 C ATOM 212 CG PRO A 14 9.380 13.074 -8.299 1.00 1.28 C ATOM 213 CD PRO A 14 10.668 12.776 -9.060 1.00 1.23 C ATOM 0 HA PRO A 14 9.304 9.891 -9.241 1.00 1.10 H new ATOM 0 HB2 PRO A 14 7.722 11.708 -7.948 1.00 1.22 H new ATOM 0 HB3 PRO A 14 9.233 11.179 -7.237 1.00 1.22 H new ATOM 0 HG2 PRO A 14 8.710 13.719 -8.867 1.00 1.28 H new ATOM 0 HG3 PRO A 14 9.573 13.573 -7.349 1.00 1.28 H new ATOM 0 HD2 PRO A 14 10.956 13.621 -9.685 1.00 1.23 H new ATOM 0 HD3 PRO A 14 11.494 12.592 -8.373 1.00 1.23 H new ATOM 221 N LYS A 15 7.378 9.912 -10.678 1.00 0.91 N ATOM 222 CA LYS A 15 6.307 9.800 -11.670 1.00 1.03 C ATOM 223 C LYS A 15 4.925 10.088 -11.039 1.00 1.25 C ATOM 224 O LYS A 15 4.623 9.512 -9.988 1.00 1.29 O ATOM 225 CB LYS A 15 6.350 8.393 -12.276 1.00 1.25 C ATOM 226 CG LYS A 15 5.499 8.252 -13.551 1.00 1.89 C ATOM 227 CD LYS A 15 5.249 6.797 -13.973 1.00 2.16 C ATOM 228 CE LYS A 15 4.282 6.104 -13.002 1.00 2.52 C ATOM 229 NZ LYS A 15 3.874 4.760 -13.481 1.00 3.08 N ATOM 0 H LYS A 15 7.569 9.041 -10.183 1.00 0.91 H new ATOM 0 HA LYS A 15 6.459 10.543 -12.453 1.00 1.03 H new ATOM 0 HB2 LYS A 15 7.384 8.136 -12.507 1.00 1.25 H new ATOM 0 HB3 LYS A 15 6.002 7.675 -11.534 1.00 1.25 H new ATOM 0 HG2 LYS A 15 4.539 8.744 -13.392 1.00 1.89 H new ATOM 0 HG3 LYS A 15 5.995 8.777 -14.367 1.00 1.89 H new ATOM 0 HD2 LYS A 15 4.838 6.772 -14.982 1.00 2.16 H new ATOM 0 HD3 LYS A 15 6.194 6.255 -14.001 1.00 2.16 H new ATOM 0 HE2 LYS A 15 4.756 6.011 -12.025 1.00 2.52 H new ATOM 0 HE3 LYS A 15 3.396 6.725 -12.869 1.00 2.52 H new ATOM 0 HZ1 LYS A 15 3.377 4.256 -12.719 1.00 3.08 H new ATOM 0 HZ2 LYS A 15 3.241 4.861 -14.300 1.00 3.08 H new ATOM 0 HZ3 LYS A 15 4.718 4.220 -13.760 1.00 3.08 H new ATOM 243 N PRO A 16 4.069 10.915 -11.671 1.00 1.05 N ATOM 244 CA PRO A 16 2.687 11.111 -11.251 1.00 1.16 C ATOM 245 C PRO A 16 1.878 9.838 -11.534 1.00 1.30 C ATOM 246 O PRO A 16 2.227 9.074 -12.436 1.00 1.16 O ATOM 247 CB PRO A 16 2.193 12.332 -12.032 1.00 1.44 C ATOM 248 CG PRO A 16 3.022 12.308 -13.316 1.00 1.47 C ATOM 249 CD PRO A 16 4.332 11.620 -12.917 1.00 1.21 C ATOM 0 HA PRO A 16 2.580 11.292 -10.182 1.00 1.16 H new ATOM 0 HB2 PRO A 16 1.126 12.265 -12.244 1.00 1.44 H new ATOM 0 HB3 PRO A 16 2.350 13.254 -11.473 1.00 1.44 H new ATOM 0 HG2 PRO A 16 2.511 11.760 -14.108 1.00 1.47 H new ATOM 0 HG3 PRO A 16 3.202 13.316 -13.691 1.00 1.47 H new ATOM 0 HD2 PRO A 16 4.658 10.927 -13.693 1.00 1.21 H new ATOM 0 HD3 PRO A 16 5.130 12.351 -12.787 1.00 1.21 H new ATOM 257 N VAL A 17 0.823 9.593 -10.759 1.00 0.97 N ATOM 258 CA VAL A 17 0.066 8.332 -10.775 1.00 0.91 C ATOM 259 C VAL A 17 -1.385 8.561 -10.340 1.00 1.34 C ATOM 260 O VAL A 17 -1.648 9.224 -9.338 1.00 1.46 O ATOM 261 CB VAL A 17 0.711 7.232 -9.886 1.00 0.86 C ATOM 262 CG1 VAL A 17 1.922 6.562 -10.560 1.00 0.95 C ATOM 263 CG2 VAL A 17 1.157 7.742 -8.504 1.00 0.95 C ATOM 0 H VAL A 17 0.460 10.272 -10.090 1.00 0.97 H new ATOM 0 HA VAL A 17 0.087 7.976 -11.805 1.00 0.91 H new ATOM 0 HB VAL A 17 -0.088 6.503 -9.751 1.00 0.86 H new ATOM 0 HG11 VAL A 17 2.334 5.802 -9.896 1.00 0.95 H new ATOM 0 HG12 VAL A 17 1.607 6.096 -11.494 1.00 0.95 H new ATOM 0 HG13 VAL A 17 2.684 7.313 -10.769 1.00 0.95 H new ATOM 0 HG21 VAL A 17 1.598 6.921 -7.938 1.00 0.95 H new ATOM 0 HG22 VAL A 17 1.895 8.534 -8.629 1.00 0.95 H new ATOM 0 HG23 VAL A 17 0.294 8.132 -7.964 1.00 0.95 H new ATOM 273 N ASP A 18 -2.305 7.956 -11.091 1.00 0.96 N ATOM 274 CA ASP A 18 -3.706 7.728 -10.727 1.00 0.94 C ATOM 275 C ASP A 18 -4.098 6.294 -11.132 1.00 1.02 C ATOM 276 O ASP A 18 -3.448 5.671 -11.968 1.00 1.41 O ATOM 277 CB ASP A 18 -4.638 8.772 -11.381 1.00 1.07 C ATOM 278 CG ASP A 18 -6.101 8.728 -10.894 1.00 1.42 C ATOM 279 OD1 ASP A 18 -6.369 8.231 -9.776 1.00 2.02 O ATOM 280 OD2 ASP A 18 -6.988 9.297 -11.575 1.00 2.47 O ATOM 0 H ASP A 18 -2.083 7.592 -12.018 1.00 0.96 H new ATOM 0 HA ASP A 18 -3.819 7.842 -9.649 1.00 0.94 H new ATOM 0 HB2 ASP A 18 -4.236 9.767 -11.190 1.00 1.07 H new ATOM 0 HB3 ASP A 18 -4.625 8.624 -12.461 1.00 1.07 H new ATOM 285 N PHE A 19 -5.186 5.792 -10.553 1.00 0.87 N ATOM 286 CA PHE A 19 -5.902 4.598 -10.990 1.00 0.99 C ATOM 287 C PHE A 19 -7.364 4.694 -10.547 1.00 1.69 C ATOM 288 O PHE A 19 -7.678 5.360 -9.560 1.00 1.74 O ATOM 289 CB PHE A 19 -5.230 3.314 -10.464 1.00 1.18 C ATOM 290 CG PHE A 19 -5.139 3.156 -8.950 1.00 1.18 C ATOM 291 CD1 PHE A 19 -6.294 2.903 -8.180 1.00 2.50 C ATOM 292 CD2 PHE A 19 -3.886 3.180 -8.311 1.00 2.19 C ATOM 293 CE1 PHE A 19 -6.201 2.729 -6.790 1.00 2.36 C ATOM 294 CE2 PHE A 19 -3.789 2.972 -6.924 1.00 2.37 C ATOM 295 CZ PHE A 19 -4.947 2.757 -6.162 1.00 1.49 C ATOM 0 H PHE A 19 -5.610 6.225 -9.732 1.00 0.87 H new ATOM 0 HA PHE A 19 -5.869 4.542 -12.078 1.00 0.99 H new ATOM 0 HB2 PHE A 19 -5.774 2.458 -10.863 1.00 1.18 H new ATOM 0 HB3 PHE A 19 -4.220 3.268 -10.872 1.00 1.18 H new ATOM 0 HD1 PHE A 19 -7.258 2.843 -8.664 1.00 2.50 H new ATOM 0 HD2 PHE A 19 -2.992 3.359 -8.890 1.00 2.19 H new ATOM 0 HE1 PHE A 19 -7.095 2.574 -6.204 1.00 2.36 H new ATOM 0 HE2 PHE A 19 -2.821 2.978 -6.444 1.00 2.37 H new ATOM 0 HZ PHE A 19 -4.873 2.613 -5.094 1.00 1.49 H new ATOM 305 N ALA A 20 -8.248 3.968 -11.233 1.00 1.08 N ATOM 306 CA ALA A 20 -9.620 3.715 -10.798 1.00 1.01 C ATOM 307 C ALA A 20 -9.741 2.304 -10.197 1.00 1.03 C ATOM 308 O ALA A 20 -9.374 1.322 -10.834 1.00 1.03 O ATOM 309 CB ALA A 20 -10.547 3.892 -12.005 1.00 1.08 C ATOM 0 H ALA A 20 -8.024 3.530 -12.127 1.00 1.08 H new ATOM 0 HA ALA A 20 -9.906 4.421 -10.018 1.00 1.01 H new ATOM 0 HB1 ALA A 20 -11.578 3.707 -11.702 1.00 1.08 H new ATOM 0 HB2 ALA A 20 -10.457 4.909 -12.387 1.00 1.08 H new ATOM 0 HB3 ALA A 20 -10.266 3.185 -12.786 1.00 1.08 H new ATOM 315 N LEU A 21 -10.278 2.199 -8.979 1.00 0.94 N ATOM 316 CA LEU A 21 -10.582 0.945 -8.300 1.00 0.90 C ATOM 317 C LEU A 21 -11.903 1.027 -7.523 1.00 1.11 C ATOM 318 O LEU A 21 -12.513 2.088 -7.418 1.00 1.27 O ATOM 319 CB LEU A 21 -9.400 0.570 -7.383 1.00 0.91 C ATOM 320 CG LEU A 21 -8.690 -0.719 -7.819 1.00 1.30 C ATOM 321 CD1 LEU A 21 -7.475 -0.933 -6.912 1.00 1.95 C ATOM 322 CD2 LEU A 21 -9.625 -1.932 -7.717 1.00 2.70 C ATOM 0 H LEU A 21 -10.521 3.018 -8.421 1.00 0.94 H new ATOM 0 HA LEU A 21 -10.716 0.160 -9.044 1.00 0.90 H new ATOM 0 HB2 LEU A 21 -8.681 1.389 -7.373 1.00 0.91 H new ATOM 0 HB3 LEU A 21 -9.763 0.451 -6.362 1.00 0.91 H new ATOM 0 HG LEU A 21 -8.383 -0.619 -8.860 1.00 1.30 H new ATOM 0 HD11 LEU A 21 -6.957 -1.846 -7.207 1.00 1.95 H new ATOM 0 HD12 LEU A 21 -6.797 -0.085 -7.006 1.00 1.95 H new ATOM 0 HD13 LEU A 21 -7.805 -1.021 -5.877 1.00 1.95 H new ATOM 0 HD21 LEU A 21 -9.093 -2.829 -8.033 1.00 2.70 H new ATOM 0 HD22 LEU A 21 -9.956 -2.051 -6.685 1.00 2.70 H new ATOM 0 HD23 LEU A 21 -10.491 -1.779 -8.361 1.00 2.70 H new ATOM 334 N GLU A 22 -12.327 -0.104 -6.972 1.00 0.73 N ATOM 335 CA GLU A 22 -13.562 -0.301 -6.225 1.00 0.64 C ATOM 336 C GLU A 22 -13.237 -0.498 -4.731 1.00 0.95 C ATOM 337 O GLU A 22 -12.145 -0.927 -4.349 1.00 1.23 O ATOM 338 CB GLU A 22 -14.300 -1.469 -6.914 1.00 0.63 C ATOM 339 CG GLU A 22 -15.473 -2.112 -6.163 1.00 1.60 C ATOM 340 CD GLU A 22 -16.157 -3.236 -6.965 1.00 2.60 C ATOM 341 OE1 GLU A 22 -15.613 -3.670 -8.011 1.00 3.02 O ATOM 342 OE2 GLU A 22 -17.246 -3.650 -6.509 1.00 3.83 O ATOM 0 H GLU A 22 -11.781 -0.963 -7.040 1.00 0.73 H new ATOM 0 HA GLU A 22 -14.230 0.560 -6.237 1.00 0.64 H new ATOM 0 HB2 GLU A 22 -14.672 -1.111 -7.874 1.00 0.63 H new ATOM 0 HB3 GLU A 22 -13.569 -2.249 -7.126 1.00 0.63 H new ATOM 0 HG2 GLU A 22 -15.114 -2.515 -5.216 1.00 1.60 H new ATOM 0 HG3 GLU A 22 -16.209 -1.344 -5.924 1.00 1.60 H new ATOM 349 N GLY A 23 -14.184 -0.118 -3.873 1.00 0.58 N ATOM 350 CA GLY A 23 -14.199 -0.390 -2.433 1.00 0.55 C ATOM 351 C GLY A 23 -15.622 -0.736 -1.965 1.00 0.70 C ATOM 352 O GLY A 23 -16.557 -0.618 -2.758 1.00 0.84 O ATOM 0 H GLY A 23 -15.001 0.413 -4.176 1.00 0.58 H new ATOM 0 HA2 GLY A 23 -13.524 -1.215 -2.206 1.00 0.55 H new ATOM 0 HA3 GLY A 23 -13.832 0.480 -1.889 1.00 0.55 H new ATOM 356 N PRO A 24 -15.834 -1.084 -0.677 1.00 0.57 N ATOM 357 CA PRO A 24 -17.137 -1.495 -0.120 1.00 0.78 C ATOM 358 C PRO A 24 -18.214 -0.382 -0.057 1.00 1.10 C ATOM 359 O PRO A 24 -19.165 -0.487 0.712 1.00 1.12 O ATOM 360 CB PRO A 24 -16.803 -2.069 1.262 1.00 0.90 C ATOM 361 CG PRO A 24 -15.528 -1.345 1.668 1.00 0.80 C ATOM 362 CD PRO A 24 -14.796 -1.156 0.344 1.00 0.61 C ATOM 0 HA PRO A 24 -17.611 -2.222 -0.779 1.00 0.78 H new ATOM 0 HB2 PRO A 24 -17.608 -1.887 1.974 1.00 0.90 H new ATOM 0 HB3 PRO A 24 -16.652 -3.148 1.220 1.00 0.90 H new ATOM 0 HG2 PRO A 24 -15.743 -0.391 2.149 1.00 0.80 H new ATOM 0 HG3 PRO A 24 -14.939 -1.932 2.373 1.00 0.80 H new ATOM 0 HD2 PRO A 24 -14.195 -0.247 0.356 1.00 0.61 H new ATOM 0 HD3 PRO A 24 -14.115 -1.985 0.152 1.00 0.61 H new ATOM 370 N GLN A 25 -18.075 0.695 -0.838 1.00 0.94 N ATOM 371 CA GLN A 25 -18.975 1.853 -0.904 1.00 1.10 C ATOM 372 C GLN A 25 -19.164 2.377 -2.343 1.00 1.35 C ATOM 373 O GLN A 25 -19.909 3.334 -2.526 1.00 1.71 O ATOM 374 CB GLN A 25 -18.410 2.979 -0.010 1.00 1.30 C ATOM 375 CG GLN A 25 -18.415 2.696 1.503 1.00 2.02 C ATOM 376 CD GLN A 25 -19.819 2.700 2.107 1.00 2.99 C ATOM 377 OE1 GLN A 25 -20.285 3.689 2.638 1.00 3.54 O ATOM 378 NE2 GLN A 25 -20.547 1.603 2.067 1.00 4.16 N ATOM 0 H GLN A 25 -17.286 0.788 -1.478 1.00 0.94 H new ATOM 0 HA GLN A 25 -19.955 1.533 -0.550 1.00 1.10 H new ATOM 0 HB2 GLN A 25 -17.385 3.184 -0.319 1.00 1.30 H new ATOM 0 HB3 GLN A 25 -18.985 3.886 -0.193 1.00 1.30 H new ATOM 0 HG2 GLN A 25 -17.949 1.728 1.687 1.00 2.02 H new ATOM 0 HG3 GLN A 25 -17.806 3.445 2.009 1.00 2.02 H new ATOM 0 HE21 GLN A 25 -20.177 0.761 1.626 1.00 4.16 H new ATOM 0 HE22 GLN A 25 -21.481 1.596 2.477 1.00 4.16 H new ATOM 387 N GLY A 26 -18.507 1.792 -3.360 1.00 1.09 N ATOM 388 CA GLY A 26 -18.446 2.354 -4.713 1.00 1.17 C ATOM 389 C GLY A 26 -17.007 2.550 -5.222 1.00 1.14 C ATOM 390 O GLY A 26 -16.051 2.135 -4.561 1.00 1.26 O ATOM 0 H GLY A 26 -18.002 0.911 -3.262 1.00 1.09 H new ATOM 0 HA2 GLY A 26 -18.980 1.696 -5.398 1.00 1.17 H new ATOM 0 HA3 GLY A 26 -18.963 3.314 -4.725 1.00 1.17 H new ATOM 394 N PRO A 27 -16.843 3.126 -6.426 1.00 1.05 N ATOM 395 CA PRO A 27 -15.543 3.393 -7.031 1.00 1.11 C ATOM 396 C PRO A 27 -14.812 4.553 -6.340 1.00 1.22 C ATOM 397 O PRO A 27 -15.427 5.523 -5.906 1.00 1.21 O ATOM 398 CB PRO A 27 -15.836 3.690 -8.503 1.00 1.20 C ATOM 399 CG PRO A 27 -17.242 4.293 -8.463 1.00 1.13 C ATOM 400 CD PRO A 27 -17.915 3.535 -7.318 1.00 1.05 C ATOM 0 HA PRO A 27 -14.870 2.543 -6.923 1.00 1.11 H new ATOM 0 HB2 PRO A 27 -15.111 4.386 -8.926 1.00 1.20 H new ATOM 0 HB3 PRO A 27 -15.802 2.786 -9.111 1.00 1.20 H new ATOM 0 HG2 PRO A 27 -17.215 5.366 -8.274 1.00 1.13 H new ATOM 0 HG3 PRO A 27 -17.769 4.149 -9.406 1.00 1.13 H new ATOM 0 HD2 PRO A 27 -18.634 4.169 -6.799 1.00 1.05 H new ATOM 0 HD3 PRO A 27 -18.464 2.670 -7.691 1.00 1.05 H new ATOM 408 N VAL A 28 -13.482 4.453 -6.281 1.00 0.96 N ATOM 409 CA VAL A 28 -12.544 5.443 -5.717 1.00 1.01 C ATOM 410 C VAL A 28 -11.372 5.577 -6.690 1.00 1.20 C ATOM 411 O VAL A 28 -10.959 4.583 -7.292 1.00 1.11 O ATOM 412 CB VAL A 28 -12.024 4.999 -4.323 1.00 1.11 C ATOM 413 CG1 VAL A 28 -11.043 6.015 -3.707 1.00 1.51 C ATOM 414 CG2 VAL A 28 -13.173 4.781 -3.321 1.00 1.89 C ATOM 0 H VAL A 28 -12.997 3.633 -6.645 1.00 0.96 H new ATOM 0 HA VAL A 28 -13.055 6.397 -5.585 1.00 1.01 H new ATOM 0 HB VAL A 28 -11.504 4.058 -4.502 1.00 1.11 H new ATOM 0 HG11 VAL A 28 -10.710 5.655 -2.733 1.00 1.51 H new ATOM 0 HG12 VAL A 28 -10.181 6.133 -4.364 1.00 1.51 H new ATOM 0 HG13 VAL A 28 -11.542 6.976 -3.587 1.00 1.51 H new ATOM 0 HG21 VAL A 28 -12.763 4.471 -2.360 1.00 1.89 H new ATOM 0 HG22 VAL A 28 -13.728 5.711 -3.196 1.00 1.89 H new ATOM 0 HG23 VAL A 28 -13.842 4.007 -3.697 1.00 1.89 H new ATOM 424 N ARG A 29 -10.819 6.787 -6.853 1.00 0.96 N ATOM 425 CA ARG A 29 -9.590 6.997 -7.626 1.00 0.90 C ATOM 426 C ARG A 29 -8.438 7.422 -6.727 1.00 1.19 C ATOM 427 O ARG A 29 -8.663 8.159 -5.768 1.00 1.43 O ATOM 428 CB ARG A 29 -9.792 8.052 -8.720 1.00 0.90 C ATOM 429 CG ARG A 29 -10.710 7.561 -9.846 1.00 1.07 C ATOM 430 CD ARG A 29 -10.595 8.467 -11.076 1.00 1.39 C ATOM 431 NE ARG A 29 -11.046 9.837 -10.770 1.00 2.50 N ATOM 432 CZ ARG A 29 -10.326 10.951 -10.870 1.00 3.65 C ATOM 433 NH1 ARG A 29 -9.130 10.997 -11.417 1.00 3.97 N ATOM 434 NH2 ARG A 29 -10.808 12.073 -10.373 1.00 5.22 N ATOM 0 H ARG A 29 -11.209 7.641 -6.455 1.00 0.96 H new ATOM 0 HA ARG A 29 -9.344 6.044 -8.093 1.00 0.90 H new ATOM 0 HB2 ARG A 29 -10.215 8.954 -8.277 1.00 0.90 H new ATOM 0 HB3 ARG A 29 -8.824 8.327 -9.139 1.00 0.90 H new ATOM 0 HG2 ARG A 29 -10.447 6.538 -10.116 1.00 1.07 H new ATOM 0 HG3 ARG A 29 -11.743 7.543 -9.498 1.00 1.07 H new ATOM 0 HD2 ARG A 29 -9.561 8.489 -11.420 1.00 1.39 H new ATOM 0 HD3 ARG A 29 -11.193 8.057 -11.890 1.00 1.39 H new ATOM 0 HE ARG A 29 -12.008 9.941 -10.449 1.00 2.50 H new ATOM 0 HH11 ARG A 29 -8.708 10.148 -11.793 1.00 3.97 H new ATOM 0 HH12 ARG A 29 -8.625 11.882 -11.465 1.00 3.97 H new ATOM 0 HH21 ARG A 29 -11.722 12.079 -9.919 1.00 5.22 H new ATOM 0 HH22 ARG A 29 -10.267 12.935 -10.442 1.00 5.22 H new ATOM 448 N LEU A 30 -7.200 7.072 -7.073 1.00 0.81 N ATOM 449 CA LEU A 30 -6.008 7.567 -6.369 1.00 0.83 C ATOM 450 C LEU A 30 -5.910 9.106 -6.427 1.00 1.08 C ATOM 451 O LEU A 30 -5.446 9.730 -5.481 1.00 1.17 O ATOM 452 CB LEU A 30 -4.774 6.851 -6.939 1.00 0.97 C ATOM 453 CG LEU A 30 -3.435 7.315 -6.328 1.00 0.98 C ATOM 454 CD1 LEU A 30 -3.363 7.013 -4.822 1.00 2.05 C ATOM 455 CD2 LEU A 30 -2.281 6.603 -7.032 1.00 2.09 C ATOM 0 H LEU A 30 -6.991 6.440 -7.846 1.00 0.81 H new ATOM 0 HA LEU A 30 -6.075 7.334 -5.306 1.00 0.83 H new ATOM 0 HB2 LEU A 30 -4.883 5.779 -6.776 1.00 0.97 H new ATOM 0 HB3 LEU A 30 -4.742 7.008 -8.017 1.00 0.97 H new ATOM 0 HG LEU A 30 -3.362 8.394 -6.465 1.00 0.98 H new ATOM 0 HD11 LEU A 30 -2.406 7.354 -4.428 1.00 2.05 H new ATOM 0 HD12 LEU A 30 -4.173 7.531 -4.308 1.00 2.05 H new ATOM 0 HD13 LEU A 30 -3.460 5.939 -4.661 1.00 2.05 H new ATOM 0 HD21 LEU A 30 -1.335 6.930 -6.601 1.00 2.09 H new ATOM 0 HD22 LEU A 30 -2.385 5.526 -6.903 1.00 2.09 H new ATOM 0 HD23 LEU A 30 -2.299 6.845 -8.095 1.00 2.09 H new ATOM 467 N SER A 31 -6.450 9.733 -7.470 1.00 0.79 N ATOM 468 CA SER A 31 -6.669 11.183 -7.596 1.00 0.88 C ATOM 469 C SER A 31 -7.446 11.816 -6.421 1.00 1.12 C ATOM 470 O SER A 31 -7.291 13.007 -6.169 1.00 1.55 O ATOM 471 CB SER A 31 -7.395 11.413 -8.927 1.00 1.11 C ATOM 472 OG SER A 31 -7.838 12.738 -9.170 1.00 2.19 O ATOM 0 H SER A 31 -6.765 9.223 -8.295 1.00 0.79 H new ATOM 0 HA SER A 31 -5.700 11.681 -7.571 1.00 0.88 H new ATOM 0 HB2 SER A 31 -6.728 11.119 -9.738 1.00 1.11 H new ATOM 0 HB3 SER A 31 -8.258 10.749 -8.967 1.00 1.11 H new ATOM 0 HG SER A 31 -7.206 13.372 -8.772 1.00 2.19 H new ATOM 478 N GLN A 32 -8.218 11.046 -5.637 1.00 0.81 N ATOM 479 CA GLN A 32 -8.835 11.517 -4.384 1.00 0.91 C ATOM 480 C GLN A 32 -7.787 11.907 -3.321 1.00 1.30 C ATOM 481 O GLN A 32 -8.120 12.615 -2.374 1.00 1.46 O ATOM 482 CB GLN A 32 -9.754 10.412 -3.819 1.00 1.02 C ATOM 483 CG GLN A 32 -11.009 10.112 -4.655 1.00 1.31 C ATOM 484 CD GLN A 32 -12.072 11.200 -4.580 1.00 2.02 C ATOM 485 OE1 GLN A 32 -12.405 11.834 -5.565 1.00 2.89 O ATOM 486 NE2 GLN A 32 -12.632 11.467 -3.418 1.00 2.43 N ATOM 0 H GLN A 32 -8.434 10.073 -5.855 1.00 0.81 H new ATOM 0 HA GLN A 32 -9.411 12.413 -4.618 1.00 0.91 H new ATOM 0 HB2 GLN A 32 -9.174 9.494 -3.722 1.00 1.02 H new ATOM 0 HB3 GLN A 32 -10.066 10.700 -2.815 1.00 1.02 H new ATOM 0 HG2 GLN A 32 -10.716 9.974 -5.696 1.00 1.31 H new ATOM 0 HG3 GLN A 32 -11.442 9.170 -4.318 1.00 1.31 H new ATOM 0 HE21 GLN A 32 -12.359 10.941 -2.588 1.00 2.43 H new ATOM 0 HE22 GLN A 32 -13.338 12.200 -3.349 1.00 2.43 H new ATOM 495 N PHE A 33 -6.535 11.466 -3.479 1.00 0.88 N ATOM 496 CA PHE A 33 -5.430 11.642 -2.537 1.00 1.06 C ATOM 497 C PHE A 33 -4.233 12.363 -3.183 1.00 2.10 C ATOM 498 O PHE A 33 -3.104 12.237 -2.711 1.00 2.61 O ATOM 499 CB PHE A 33 -5.037 10.258 -1.992 1.00 1.31 C ATOM 500 CG PHE A 33 -6.207 9.432 -1.492 1.00 1.02 C ATOM 501 CD1 PHE A 33 -6.781 9.704 -0.238 1.00 2.11 C ATOM 502 CD2 PHE A 33 -6.763 8.428 -2.309 1.00 2.03 C ATOM 503 CE1 PHE A 33 -7.906 8.979 0.194 1.00 2.20 C ATOM 504 CE2 PHE A 33 -7.888 7.704 -1.878 1.00 1.87 C ATOM 505 CZ PHE A 33 -8.458 7.975 -0.624 1.00 1.22 C ATOM 0 H PHE A 33 -6.252 10.950 -4.312 1.00 0.88 H new ATOM 0 HA PHE A 33 -5.752 12.281 -1.715 1.00 1.06 H new ATOM 0 HB2 PHE A 33 -4.524 9.703 -2.777 1.00 1.31 H new ATOM 0 HB3 PHE A 33 -4.325 10.389 -1.177 1.00 1.31 H new ATOM 0 HD1 PHE A 33 -6.358 10.470 0.394 1.00 2.11 H new ATOM 0 HD2 PHE A 33 -6.323 8.214 -3.271 1.00 2.03 H new ATOM 0 HE1 PHE A 33 -8.348 9.193 1.156 1.00 2.20 H new ATOM 0 HE2 PHE A 33 -8.314 6.940 -2.511 1.00 1.87 H new ATOM 0 HZ PHE A 33 -9.318 7.415 -0.288 1.00 1.22 H new ATOM 515 N GLN A 34 -4.456 13.111 -4.267 1.00 0.93 N ATOM 516 CA GLN A 34 -3.402 13.813 -5.015 1.00 1.15 C ATOM 517 C GLN A 34 -2.866 15.081 -4.323 1.00 1.43 C ATOM 518 O GLN A 34 -1.822 15.573 -4.715 1.00 2.18 O ATOM 519 CB GLN A 34 -3.886 14.098 -6.449 1.00 1.31 C ATOM 520 CG GLN A 34 -4.979 15.181 -6.534 1.00 1.73 C ATOM 521 CD GLN A 34 -5.702 15.224 -7.885 1.00 2.34 C ATOM 522 OE1 GLN A 34 -5.771 14.268 -8.651 1.00 2.46 O ATOM 523 NE2 GLN A 34 -6.308 16.337 -8.242 1.00 3.52 N ATOM 0 H GLN A 34 -5.388 13.250 -4.658 1.00 0.93 H new ATOM 0 HA GLN A 34 -2.542 13.145 -5.048 1.00 1.15 H new ATOM 0 HB2 GLN A 34 -3.034 14.407 -7.055 1.00 1.31 H new ATOM 0 HB3 GLN A 34 -4.268 13.174 -6.883 1.00 1.31 H new ATOM 0 HG2 GLN A 34 -5.711 15.008 -5.746 1.00 1.73 H new ATOM 0 HG3 GLN A 34 -4.528 16.155 -6.342 1.00 1.73 H new ATOM 0 HE21 GLN A 34 -6.274 17.154 -7.633 1.00 3.52 H new ATOM 0 HE22 GLN A 34 -6.811 16.382 -9.128 1.00 3.52 H new ATOM 532 N ASP A 35 -3.539 15.596 -3.293 1.00 1.20 N ATOM 533 CA ASP A 35 -3.016 16.623 -2.369 1.00 1.36 C ATOM 534 C ASP A 35 -2.163 15.999 -1.243 1.00 1.39 C ATOM 535 O ASP A 35 -1.376 16.668 -0.574 1.00 1.65 O ATOM 536 CB ASP A 35 -4.239 17.361 -1.794 1.00 1.52 C ATOM 537 CG ASP A 35 -3.960 18.214 -0.547 1.00 1.96 C ATOM 538 OD1 ASP A 35 -3.645 19.412 -0.689 1.00 2.95 O ATOM 539 OD2 ASP A 35 -4.167 17.667 0.567 1.00 2.91 O ATOM 0 H ASP A 35 -4.490 15.307 -3.066 1.00 1.20 H new ATOM 0 HA ASP A 35 -2.355 17.310 -2.898 1.00 1.36 H new ATOM 0 HB2 ASP A 35 -4.653 18.005 -2.570 1.00 1.52 H new ATOM 0 HB3 ASP A 35 -5.005 16.625 -1.548 1.00 1.52 H new ATOM 544 N LYS A 36 -2.349 14.700 -0.998 1.00 1.12 N ATOM 545 CA LYS A 36 -1.977 14.042 0.252 1.00 1.14 C ATOM 546 C LYS A 36 -0.688 13.214 0.140 1.00 1.28 C ATOM 547 O LYS A 36 0.005 13.190 -0.884 1.00 1.45 O ATOM 548 CB LYS A 36 -3.200 13.220 0.729 1.00 1.29 C ATOM 549 CG LYS A 36 -4.387 14.085 1.133 1.00 1.53 C ATOM 550 CD LYS A 36 -4.058 14.776 2.459 1.00 1.57 C ATOM 551 CE LYS A 36 -5.340 15.308 3.053 1.00 1.68 C ATOM 552 NZ LYS A 36 -5.749 16.561 2.377 1.00 2.29 N ATOM 0 H LYS A 36 -2.770 14.066 -1.677 1.00 1.12 H new ATOM 0 HA LYS A 36 -1.729 14.792 1.003 1.00 1.14 H new ATOM 0 HB2 LYS A 36 -3.507 12.543 -0.068 1.00 1.29 H new ATOM 0 HB3 LYS A 36 -2.905 12.601 1.577 1.00 1.29 H new ATOM 0 HG2 LYS A 36 -4.595 14.826 0.361 1.00 1.53 H new ATOM 0 HG3 LYS A 36 -5.283 13.473 1.237 1.00 1.53 H new ATOM 0 HD2 LYS A 36 -3.586 14.073 3.145 1.00 1.57 H new ATOM 0 HD3 LYS A 36 -3.350 15.589 2.297 1.00 1.57 H new ATOM 0 HE2 LYS A 36 -6.129 14.562 2.956 1.00 1.68 H new ATOM 0 HE3 LYS A 36 -5.204 15.491 4.119 1.00 1.68 H new ATOM 0 HZ1 LYS A 36 -6.020 17.268 3.090 1.00 2.29 H new ATOM 0 HZ2 LYS A 36 -4.956 16.926 1.812 1.00 2.29 H new ATOM 0 HZ3 LYS A 36 -6.559 16.370 1.753 1.00 2.29 H new ATOM 566 N VAL A 37 -0.376 12.531 1.238 1.00 1.01 N ATOM 567 CA VAL A 37 0.635 11.483 1.351 1.00 0.95 C ATOM 568 C VAL A 37 -0.119 10.168 1.554 1.00 1.28 C ATOM 569 O VAL A 37 -0.997 10.084 2.414 1.00 1.71 O ATOM 570 CB VAL A 37 1.589 11.756 2.534 1.00 1.04 C ATOM 571 CG1 VAL A 37 2.725 10.719 2.572 1.00 1.08 C ATOM 572 CG2 VAL A 37 2.226 13.147 2.440 1.00 1.38 C ATOM 0 H VAL A 37 -0.850 12.704 2.125 1.00 1.01 H new ATOM 0 HA VAL A 37 1.254 11.445 0.455 1.00 0.95 H new ATOM 0 HB VAL A 37 0.985 11.692 3.439 1.00 1.04 H new ATOM 0 HG11 VAL A 37 3.384 10.932 3.414 1.00 1.08 H new ATOM 0 HG12 VAL A 37 2.303 9.721 2.685 1.00 1.08 H new ATOM 0 HG13 VAL A 37 3.294 10.769 1.644 1.00 1.08 H new ATOM 0 HG21 VAL A 37 2.890 13.301 3.290 1.00 1.38 H new ATOM 0 HG22 VAL A 37 2.797 13.224 1.515 1.00 1.38 H new ATOM 0 HG23 VAL A 37 1.444 13.906 2.448 1.00 1.38 H new ATOM 582 N VAL A 38 0.214 9.171 0.733 1.00 0.59 N ATOM 583 CA VAL A 38 -0.418 7.844 0.760 1.00 0.56 C ATOM 584 C VAL A 38 0.643 6.744 0.760 1.00 0.91 C ATOM 585 O VAL A 38 1.579 6.758 -0.050 1.00 0.79 O ATOM 586 CB VAL A 38 -1.465 7.671 -0.376 1.00 0.67 C ATOM 587 CG1 VAL A 38 -1.649 6.229 -0.884 1.00 1.05 C ATOM 588 CG2 VAL A 38 -2.832 8.197 0.090 1.00 1.35 C ATOM 0 H VAL A 38 0.939 9.260 0.021 1.00 0.59 H new ATOM 0 HA VAL A 38 -0.978 7.755 1.691 1.00 0.56 H new ATOM 0 HB VAL A 38 -1.066 8.245 -1.213 1.00 0.67 H new ATOM 0 HG11 VAL A 38 -2.400 6.215 -1.674 1.00 1.05 H new ATOM 0 HG12 VAL A 38 -0.702 5.858 -1.276 1.00 1.05 H new ATOM 0 HG13 VAL A 38 -1.976 5.592 -0.062 1.00 1.05 H new ATOM 0 HG21 VAL A 38 -3.562 8.073 -0.710 1.00 1.35 H new ATOM 0 HG22 VAL A 38 -3.157 7.638 0.967 1.00 1.35 H new ATOM 0 HG23 VAL A 38 -2.748 9.254 0.344 1.00 1.35 H new ATOM 598 N LEU A 39 0.435 5.786 1.665 1.00 0.63 N ATOM 599 CA LEU A 39 1.138 4.505 1.740 1.00 0.68 C ATOM 600 C LEU A 39 0.283 3.453 1.031 1.00 1.07 C ATOM 601 O LEU A 39 -0.761 3.047 1.541 1.00 1.15 O ATOM 602 CB LEU A 39 1.326 4.126 3.224 1.00 0.78 C ATOM 603 CG LEU A 39 2.624 4.641 3.864 1.00 0.95 C ATOM 604 CD1 LEU A 39 2.513 4.535 5.393 1.00 1.82 C ATOM 605 CD2 LEU A 39 3.839 3.828 3.385 1.00 1.24 C ATOM 0 H LEU A 39 -0.263 5.888 2.402 1.00 0.63 H new ATOM 0 HA LEU A 39 2.116 4.567 1.263 1.00 0.68 H new ATOM 0 HB2 LEU A 39 0.480 4.512 3.792 1.00 0.78 H new ATOM 0 HB3 LEU A 39 1.301 3.040 3.313 1.00 0.78 H new ATOM 0 HG LEU A 39 2.766 5.680 3.567 1.00 0.95 H new ATOM 0 HD11 LEU A 39 3.433 4.900 5.851 1.00 1.82 H new ATOM 0 HD12 LEU A 39 1.672 5.136 5.739 1.00 1.82 H new ATOM 0 HD13 LEU A 39 2.355 3.494 5.675 1.00 1.82 H new ATOM 0 HD21 LEU A 39 4.744 4.215 3.854 1.00 1.24 H new ATOM 0 HD22 LEU A 39 3.707 2.781 3.659 1.00 1.24 H new ATOM 0 HD23 LEU A 39 3.928 3.911 2.302 1.00 1.24 H new ATOM 617 N LEU A 40 0.722 3.035 -0.154 1.00 0.66 N ATOM 618 CA LEU A 40 0.046 2.027 -0.973 1.00 0.64 C ATOM 619 C LEU A 40 0.726 0.681 -0.764 1.00 0.97 C ATOM 620 O LEU A 40 1.892 0.533 -1.125 1.00 1.05 O ATOM 621 CB LEU A 40 0.112 2.445 -2.456 1.00 0.74 C ATOM 622 CG LEU A 40 -1.219 3.001 -2.977 1.00 1.30 C ATOM 623 CD1 LEU A 40 -0.956 3.723 -4.294 1.00 2.66 C ATOM 624 CD2 LEU A 40 -2.224 1.872 -3.235 1.00 1.87 C ATOM 0 H LEU A 40 1.575 3.394 -0.582 1.00 0.66 H new ATOM 0 HA LEU A 40 -1.001 1.944 -0.681 1.00 0.64 H new ATOM 0 HB2 LEU A 40 0.889 3.199 -2.582 1.00 0.74 H new ATOM 0 HB3 LEU A 40 0.402 1.584 -3.059 1.00 0.74 H new ATOM 0 HG LEU A 40 -1.635 3.676 -2.229 1.00 1.30 H new ATOM 0 HD11 LEU A 40 -1.892 4.126 -4.681 1.00 2.66 H new ATOM 0 HD12 LEU A 40 -0.251 4.538 -4.128 1.00 2.66 H new ATOM 0 HD13 LEU A 40 -0.537 3.022 -5.016 1.00 2.66 H new ATOM 0 HD21 LEU A 40 -3.159 2.294 -3.604 1.00 1.87 H new ATOM 0 HD22 LEU A 40 -1.818 1.186 -3.978 1.00 1.87 H new ATOM 0 HD23 LEU A 40 -2.411 1.332 -2.307 1.00 1.87 H new ATOM 636 N PHE A 41 -0.003 -0.285 -0.211 1.00 0.76 N ATOM 637 CA PHE A 41 0.492 -1.639 0.020 1.00 0.75 C ATOM 638 C PHE A 41 -0.328 -2.645 -0.788 1.00 1.47 C ATOM 639 O PHE A 41 -1.556 -2.752 -0.638 1.00 1.74 O ATOM 640 CB PHE A 41 0.507 -1.958 1.527 1.00 0.73 C ATOM 641 CG PHE A 41 0.960 -3.369 1.888 1.00 0.79 C ATOM 642 CD1 PHE A 41 2.046 -3.981 1.225 1.00 1.73 C ATOM 643 CD2 PHE A 41 0.298 -4.076 2.910 1.00 2.12 C ATOM 644 CE1 PHE A 41 2.425 -5.296 1.542 1.00 1.74 C ATOM 645 CE2 PHE A 41 0.684 -5.388 3.239 1.00 1.97 C ATOM 646 CZ PHE A 41 1.741 -6.005 2.547 1.00 0.97 C ATOM 0 H PHE A 41 -0.967 -0.147 0.093 1.00 0.76 H new ATOM 0 HA PHE A 41 1.523 -1.713 -0.327 1.00 0.75 H new ATOM 0 HB2 PHE A 41 1.162 -1.244 2.027 1.00 0.73 H new ATOM 0 HB3 PHE A 41 -0.496 -1.803 1.925 1.00 0.73 H new ATOM 0 HD1 PHE A 41 2.589 -3.434 0.469 1.00 1.73 H new ATOM 0 HD2 PHE A 41 -0.514 -3.607 3.446 1.00 2.12 H new ATOM 0 HE1 PHE A 41 3.243 -5.764 1.014 1.00 1.74 H new ATOM 0 HE2 PHE A 41 0.168 -5.922 4.024 1.00 1.97 H new ATOM 0 HZ PHE A 41 2.027 -7.019 2.786 1.00 0.97 H new ATOM 656 N PHE A 42 0.391 -3.396 -1.626 1.00 0.82 N ATOM 657 CA PHE A 42 -0.155 -4.447 -2.474 1.00 0.82 C ATOM 658 C PHE A 42 0.036 -5.792 -1.771 1.00 1.81 C ATOM 659 O PHE A 42 1.134 -6.351 -1.724 1.00 2.16 O ATOM 660 CB PHE A 42 0.522 -4.415 -3.852 1.00 0.90 C ATOM 661 CG PHE A 42 0.046 -3.291 -4.754 1.00 0.92 C ATOM 662 CD1 PHE A 42 0.577 -1.998 -4.611 1.00 2.42 C ATOM 663 CD2 PHE A 42 -0.923 -3.538 -5.746 1.00 1.76 C ATOM 664 CE1 PHE A 42 0.200 -0.972 -5.495 1.00 2.24 C ATOM 665 CE2 PHE A 42 -1.325 -2.505 -6.611 1.00 1.85 C ATOM 666 CZ PHE A 42 -0.747 -1.226 -6.503 1.00 1.04 C ATOM 0 H PHE A 42 1.399 -3.282 -1.733 1.00 0.82 H new ATOM 0 HA PHE A 42 -1.221 -4.292 -2.638 1.00 0.82 H new ATOM 0 HB2 PHE A 42 1.599 -4.323 -3.713 1.00 0.90 H new ATOM 0 HB3 PHE A 42 0.346 -5.367 -4.353 1.00 0.90 H new ATOM 0 HD1 PHE A 42 1.279 -1.791 -3.817 1.00 2.42 H new ATOM 0 HD2 PHE A 42 -1.358 -4.522 -5.842 1.00 1.76 H new ATOM 0 HE1 PHE A 42 0.637 0.011 -5.400 1.00 2.24 H new ATOM 0 HE2 PHE A 42 -2.079 -2.693 -7.360 1.00 1.85 H new ATOM 0 HZ PHE A 42 -1.030 -0.443 -7.191 1.00 1.04 H new ATOM 676 N GLY A 43 -1.058 -6.268 -1.173 1.00 0.99 N ATOM 677 CA GLY A 43 -1.137 -7.501 -0.395 1.00 1.10 C ATOM 678 C GLY A 43 -2.451 -8.248 -0.605 1.00 1.23 C ATOM 679 O GLY A 43 -3.308 -7.851 -1.395 1.00 1.23 O ATOM 0 H GLY A 43 -1.953 -5.780 -1.222 1.00 0.99 H new ATOM 0 HA2 GLY A 43 -0.306 -8.152 -0.668 1.00 1.10 H new ATOM 0 HA3 GLY A 43 -1.023 -7.266 0.663 1.00 1.10 H new ATOM 683 N PHE A 44 -2.608 -9.346 0.131 1.00 1.34 N ATOM 684 CA PHE A 44 -3.874 -10.061 0.283 1.00 1.50 C ATOM 685 C PHE A 44 -4.047 -10.480 1.750 1.00 2.19 C ATOM 686 O PHE A 44 -3.049 -10.638 2.460 1.00 2.93 O ATOM 687 CB PHE A 44 -3.926 -11.245 -0.698 1.00 1.51 C ATOM 688 CG PHE A 44 -2.847 -12.298 -0.533 1.00 1.94 C ATOM 689 CD1 PHE A 44 -1.578 -12.113 -1.119 1.00 3.69 C ATOM 690 CD2 PHE A 44 -3.128 -13.492 0.157 1.00 2.63 C ATOM 691 CE1 PHE A 44 -0.597 -13.113 -1.012 1.00 4.72 C ATOM 692 CE2 PHE A 44 -2.146 -14.498 0.250 1.00 3.70 C ATOM 693 CZ PHE A 44 -0.880 -14.305 -0.326 1.00 4.52 C ATOM 0 H PHE A 44 -1.841 -9.773 0.650 1.00 1.34 H new ATOM 0 HA PHE A 44 -4.715 -9.414 0.033 1.00 1.50 H new ATOM 0 HB2 PHE A 44 -4.897 -11.730 -0.598 1.00 1.51 H new ATOM 0 HB3 PHE A 44 -3.869 -10.852 -1.713 1.00 1.51 H new ATOM 0 HD1 PHE A 44 -1.359 -11.199 -1.652 1.00 3.69 H new ATOM 0 HD2 PHE A 44 -4.095 -13.637 0.615 1.00 2.63 H new ATOM 0 HE1 PHE A 44 0.376 -12.965 -1.458 1.00 4.72 H new ATOM 0 HE2 PHE A 44 -2.368 -15.421 0.766 1.00 3.70 H new ATOM 0 HZ PHE A 44 -0.125 -15.072 -0.241 1.00 4.52 H new ATOM 703 N THR A 45 -5.290 -10.673 2.207 1.00 1.23 N ATOM 704 CA THR A 45 -5.694 -11.045 3.582 1.00 1.26 C ATOM 705 C THR A 45 -5.237 -12.440 4.038 1.00 1.54 C ATOM 706 O THR A 45 -5.839 -13.027 4.929 1.00 2.27 O ATOM 707 CB THR A 45 -7.212 -10.875 3.795 1.00 1.35 C ATOM 708 OG1 THR A 45 -7.977 -11.697 2.940 1.00 1.85 O ATOM 709 CG2 THR A 45 -7.658 -9.422 3.636 1.00 1.14 C ATOM 0 H THR A 45 -6.097 -10.569 1.593 1.00 1.23 H new ATOM 0 HA THR A 45 -5.160 -10.340 4.219 1.00 1.26 H new ATOM 0 HB THR A 45 -7.394 -11.188 4.823 1.00 1.35 H new ATOM 0 HG1 THR A 45 -7.419 -12.002 2.194 1.00 1.85 H new ATOM 0 HG21 THR A 45 -8.734 -9.352 3.795 1.00 1.14 H new ATOM 0 HG22 THR A 45 -7.142 -8.801 4.368 1.00 1.14 H new ATOM 0 HG23 THR A 45 -7.416 -9.075 2.631 1.00 1.14 H new ATOM 717 N ARG A 46 -4.168 -13.001 3.455 1.00 1.77 N ATOM 718 CA ARG A 46 -3.655 -14.321 3.833 1.00 1.87 C ATOM 719 C ARG A 46 -2.151 -14.519 3.598 1.00 1.97 C ATOM 720 O ARG A 46 -1.702 -15.611 3.243 1.00 2.51 O ATOM 721 CB ARG A 46 -4.555 -15.416 3.232 1.00 2.00 C ATOM 722 CG ARG A 46 -4.628 -16.637 4.160 1.00 2.78 C ATOM 723 CD ARG A 46 -5.820 -17.514 3.778 1.00 3.24 C ATOM 724 NE ARG A 46 -5.974 -18.618 4.737 1.00 4.11 N ATOM 725 CZ ARG A 46 -7.098 -19.275 5.007 1.00 5.22 C ATOM 726 NH1 ARG A 46 -8.222 -19.006 4.376 1.00 5.95 N ATOM 727 NH2 ARG A 46 -7.108 -20.219 5.924 1.00 6.25 N ATOM 0 H ARG A 46 -3.637 -12.551 2.709 1.00 1.77 H new ATOM 0 HA ARG A 46 -3.716 -14.403 4.918 1.00 1.87 H new ATOM 0 HB2 ARG A 46 -5.557 -15.019 3.068 1.00 2.00 H new ATOM 0 HB3 ARG A 46 -4.168 -15.717 2.259 1.00 2.00 H new ATOM 0 HG2 ARG A 46 -3.705 -17.213 4.090 1.00 2.78 H new ATOM 0 HG3 ARG A 46 -4.723 -16.311 5.196 1.00 2.78 H new ATOM 0 HD2 ARG A 46 -6.729 -16.913 3.757 1.00 3.24 H new ATOM 0 HD3 ARG A 46 -5.678 -17.914 2.774 1.00 3.24 H new ATOM 0 HE ARG A 46 -5.138 -18.908 5.244 1.00 4.11 H new ATOM 0 HH11 ARG A 46 -8.244 -18.279 3.661 1.00 5.95 H new ATOM 0 HH12 ARG A 46 -9.071 -19.525 4.602 1.00 5.95 H new ATOM 0 HH21 ARG A 46 -6.252 -20.448 6.429 1.00 6.25 H new ATOM 0 HH22 ARG A 46 -7.972 -20.721 6.129 1.00 6.25 H new ATOM 741 N CYS A 47 -1.350 -13.476 3.836 1.00 1.80 N ATOM 742 CA CYS A 47 0.073 -13.661 4.151 1.00 1.96 C ATOM 743 C CYS A 47 0.228 -14.518 5.439 1.00 1.93 C ATOM 744 O CYS A 47 -0.684 -14.497 6.267 1.00 2.25 O ATOM 745 CB CYS A 47 0.728 -12.277 4.277 1.00 2.56 C ATOM 746 SG CYS A 47 0.959 -11.566 2.629 1.00 3.73 S ATOM 0 H CYS A 47 -1.657 -12.503 3.817 1.00 1.80 H new ATOM 0 HA CYS A 47 0.580 -14.205 3.354 1.00 1.96 H new ATOM 0 HB2 CYS A 47 0.103 -11.621 4.883 1.00 2.56 H new ATOM 0 HB3 CYS A 47 1.688 -12.362 4.786 1.00 2.56 H new ATOM 0 HG CYS A 47 1.511 -10.394 2.736 1.00 3.73 H new ATOM 752 N PRO A 48 1.346 -15.246 5.632 1.00 1.91 N ATOM 753 CA PRO A 48 1.519 -16.139 6.779 1.00 2.16 C ATOM 754 C PRO A 48 1.784 -15.384 8.088 1.00 2.24 C ATOM 755 O PRO A 48 1.246 -15.771 9.117 1.00 2.56 O ATOM 756 CB PRO A 48 2.688 -17.054 6.401 1.00 2.77 C ATOM 757 CG PRO A 48 3.523 -16.202 5.446 1.00 2.81 C ATOM 758 CD PRO A 48 2.469 -15.371 4.712 1.00 2.35 C ATOM 0 HA PRO A 48 0.607 -16.702 6.977 1.00 2.16 H new ATOM 0 HB2 PRO A 48 3.263 -17.352 7.278 1.00 2.77 H new ATOM 0 HB3 PRO A 48 2.341 -17.969 5.921 1.00 2.77 H new ATOM 0 HG2 PRO A 48 4.232 -15.571 5.983 1.00 2.81 H new ATOM 0 HG3 PRO A 48 4.102 -16.818 4.758 1.00 2.81 H new ATOM 0 HD2 PRO A 48 2.863 -14.391 4.442 1.00 2.35 H new ATOM 0 HD3 PRO A 48 2.163 -15.858 3.786 1.00 2.35 H new ATOM 766 N ASP A 49 2.584 -14.308 8.046 1.00 1.72 N ATOM 767 CA ASP A 49 3.009 -13.528 9.224 1.00 1.72 C ATOM 768 C ASP A 49 3.018 -12.021 8.909 1.00 1.64 C ATOM 769 O ASP A 49 2.365 -11.234 9.580 1.00 1.80 O ATOM 770 CB ASP A 49 4.400 -14.015 9.652 1.00 1.86 C ATOM 771 CG ASP A 49 4.864 -13.306 10.924 1.00 3.02 C ATOM 772 OD1 ASP A 49 5.396 -12.182 10.779 1.00 3.67 O ATOM 773 OD2 ASP A 49 4.660 -13.882 12.014 1.00 4.09 O ATOM 0 H ASP A 49 2.964 -13.945 7.172 1.00 1.72 H new ATOM 0 HA ASP A 49 2.304 -13.678 10.042 1.00 1.72 H new ATOM 0 HB2 ASP A 49 4.376 -15.092 9.820 1.00 1.86 H new ATOM 0 HB3 ASP A 49 5.115 -13.834 8.849 1.00 1.86 H new ATOM 778 N VAL A 50 3.608 -11.654 7.772 1.00 1.59 N ATOM 779 CA VAL A 50 3.464 -10.379 7.031 1.00 1.54 C ATOM 780 C VAL A 50 2.021 -9.818 6.980 1.00 1.82 C ATOM 781 O VAL A 50 1.836 -8.628 6.728 1.00 2.05 O ATOM 782 CB VAL A 50 4.043 -10.579 5.601 1.00 1.58 C ATOM 783 CG1 VAL A 50 3.804 -9.438 4.596 1.00 2.30 C ATOM 784 CG2 VAL A 50 5.550 -10.892 5.643 1.00 2.21 C ATOM 0 H VAL A 50 4.254 -12.285 7.298 1.00 1.59 H new ATOM 0 HA VAL A 50 4.023 -9.620 7.578 1.00 1.54 H new ATOM 0 HB VAL A 50 3.469 -11.427 5.228 1.00 1.58 H new ATOM 0 HG11 VAL A 50 4.255 -9.697 3.638 1.00 2.30 H new ATOM 0 HG12 VAL A 50 2.732 -9.288 4.464 1.00 2.30 H new ATOM 0 HG13 VAL A 50 4.255 -8.520 4.973 1.00 2.30 H new ATOM 0 HG21 VAL A 50 5.922 -11.026 4.627 1.00 2.21 H new ATOM 0 HG22 VAL A 50 6.080 -10.066 6.118 1.00 2.21 H new ATOM 0 HG23 VAL A 50 5.716 -11.806 6.214 1.00 2.21 H new ATOM 794 N CYS A 51 0.980 -10.632 7.229 1.00 2.01 N ATOM 795 CA CYS A 51 -0.415 -10.172 7.232 1.00 2.29 C ATOM 796 C CYS A 51 -0.724 -9.256 8.428 1.00 2.23 C ATOM 797 O CYS A 51 -1.244 -8.165 8.181 1.00 2.45 O ATOM 798 CB CYS A 51 -1.387 -11.357 7.098 1.00 2.95 C ATOM 799 SG CYS A 51 -2.773 -10.869 6.033 1.00 3.60 S ATOM 0 H CYS A 51 1.085 -11.626 7.433 1.00 2.01 H new ATOM 0 HA CYS A 51 -0.565 -9.548 6.351 1.00 2.29 H new ATOM 0 HB2 CYS A 51 -0.873 -12.220 6.674 1.00 2.95 H new ATOM 0 HB3 CYS A 51 -1.754 -11.655 8.080 1.00 2.95 H new ATOM 0 HG CYS A 51 -3.412 -9.878 6.580 1.00 3.60 H new ATOM 805 N PRO A 52 -0.457 -9.641 9.691 1.00 1.88 N ATOM 806 CA PRO A 52 -0.415 -8.678 10.778 1.00 1.67 C ATOM 807 C PRO A 52 0.870 -7.841 10.774 1.00 1.44 C ATOM 808 O PRO A 52 0.747 -6.649 11.024 1.00 1.25 O ATOM 809 CB PRO A 52 -0.597 -9.488 12.067 1.00 2.28 C ATOM 810 CG PRO A 52 -0.093 -10.880 11.693 1.00 2.57 C ATOM 811 CD PRO A 52 -0.539 -10.991 10.235 1.00 2.40 C ATOM 0 HA PRO A 52 -1.208 -7.937 10.675 1.00 1.67 H new ATOM 0 HB2 PRO A 52 -0.025 -9.063 12.891 1.00 2.28 H new ATOM 0 HB3 PRO A 52 -1.640 -9.511 12.382 1.00 2.28 H new ATOM 0 HG2 PRO A 52 0.989 -10.965 11.798 1.00 2.57 H new ATOM 0 HG3 PRO A 52 -0.536 -11.657 12.317 1.00 2.57 H new ATOM 0 HD2 PRO A 52 0.103 -11.676 9.681 1.00 2.40 H new ATOM 0 HD3 PRO A 52 -1.555 -11.380 10.165 1.00 2.40 H new ATOM 819 N THR A 53 2.061 -8.395 10.484 1.00 1.04 N ATOM 820 CA THR A 53 3.348 -7.702 10.702 1.00 0.89 C ATOM 821 C THR A 53 3.493 -6.420 9.876 1.00 1.04 C ATOM 822 O THR A 53 3.596 -5.351 10.477 1.00 1.04 O ATOM 823 CB THR A 53 4.531 -8.668 10.531 1.00 0.95 C ATOM 824 OG1 THR A 53 4.285 -9.754 11.394 1.00 1.97 O ATOM 825 CG2 THR A 53 5.850 -8.043 10.979 1.00 1.67 C ATOM 0 H THR A 53 2.161 -9.332 10.093 1.00 1.04 H new ATOM 0 HA THR A 53 3.356 -7.364 11.738 1.00 0.89 H new ATOM 0 HB THR A 53 4.614 -8.944 9.480 1.00 0.95 H new ATOM 0 HG1 THR A 53 4.790 -10.536 11.088 1.00 1.97 H new ATOM 0 HG21 THR A 53 6.658 -8.761 10.840 1.00 1.67 H new ATOM 0 HG22 THR A 53 6.051 -7.152 10.385 1.00 1.67 H new ATOM 0 HG23 THR A 53 5.784 -7.770 12.032 1.00 1.67 H new ATOM 833 N THR A 54 3.417 -6.471 8.536 1.00 0.71 N ATOM 834 CA THR A 54 3.460 -5.260 7.686 1.00 0.72 C ATOM 835 C THR A 54 2.345 -4.280 8.031 1.00 0.91 C ATOM 836 O THR A 54 2.630 -3.091 8.162 1.00 0.88 O ATOM 837 CB THR A 54 3.481 -5.608 6.190 1.00 0.81 C ATOM 838 OG1 THR A 54 4.750 -6.100 5.837 1.00 1.05 O ATOM 839 CG2 THR A 54 3.276 -4.384 5.292 1.00 1.11 C ATOM 0 H THR A 54 3.325 -7.341 8.012 1.00 0.71 H new ATOM 0 HA THR A 54 4.401 -4.754 7.904 1.00 0.72 H new ATOM 0 HB THR A 54 2.676 -6.328 6.044 1.00 0.81 H new ATOM 0 HG1 THR A 54 5.078 -6.695 6.543 1.00 1.05 H new ATOM 0 HG21 THR A 54 3.300 -4.692 4.247 1.00 1.11 H new ATOM 0 HG22 THR A 54 2.311 -3.928 5.514 1.00 1.11 H new ATOM 0 HG23 THR A 54 4.070 -3.661 5.476 1.00 1.11 H new ATOM 847 N LEU A 55 1.103 -4.730 8.244 1.00 0.69 N ATOM 848 CA LEU A 55 0.023 -3.799 8.598 1.00 0.67 C ATOM 849 C LEU A 55 0.243 -3.150 9.971 1.00 1.12 C ATOM 850 O LEU A 55 -0.093 -1.978 10.148 1.00 1.35 O ATOM 851 CB LEU A 55 -1.348 -4.504 8.558 1.00 0.75 C ATOM 852 CG LEU A 55 -1.888 -4.949 7.181 1.00 0.96 C ATOM 853 CD1 LEU A 55 -3.424 -4.945 7.215 1.00 1.80 C ATOM 854 CD2 LEU A 55 -1.437 -4.075 6.012 1.00 1.30 C ATOM 0 H LEU A 55 0.824 -5.709 8.180 1.00 0.69 H new ATOM 0 HA LEU A 55 0.036 -3.005 7.851 1.00 0.67 H new ATOM 0 HB2 LEU A 55 -1.290 -5.386 9.196 1.00 0.75 H new ATOM 0 HB3 LEU A 55 -2.082 -3.834 9.005 1.00 0.75 H new ATOM 0 HG LEU A 55 -1.478 -5.945 7.010 1.00 0.96 H new ATOM 0 HD11 LEU A 55 -3.810 -5.258 6.245 1.00 1.80 H new ATOM 0 HD12 LEU A 55 -3.773 -5.634 7.984 1.00 1.80 H new ATOM 0 HD13 LEU A 55 -3.780 -3.940 7.440 1.00 1.80 H new ATOM 0 HD21 LEU A 55 -1.862 -4.460 5.085 1.00 1.30 H new ATOM 0 HD22 LEU A 55 -1.777 -3.052 6.170 1.00 1.30 H new ATOM 0 HD23 LEU A 55 -0.349 -4.089 5.946 1.00 1.30 H new ATOM 866 N LEU A 56 0.831 -3.869 10.929 1.00 0.68 N ATOM 867 CA LEU A 56 1.182 -3.329 12.233 1.00 0.75 C ATOM 868 C LEU A 56 2.320 -2.317 12.098 1.00 1.16 C ATOM 869 O LEU A 56 2.252 -1.279 12.740 1.00 1.31 O ATOM 870 CB LEU A 56 1.530 -4.482 13.197 1.00 0.84 C ATOM 871 CG LEU A 56 1.790 -4.027 14.645 1.00 1.24 C ATOM 872 CD1 LEU A 56 0.562 -3.433 15.359 1.00 2.61 C ATOM 873 CD2 LEU A 56 2.337 -5.201 15.469 1.00 1.45 C ATOM 0 H LEU A 56 1.077 -4.852 10.815 1.00 0.68 H new ATOM 0 HA LEU A 56 0.330 -2.795 12.654 1.00 0.75 H new ATOM 0 HB2 LEU A 56 0.713 -5.204 13.194 1.00 0.84 H new ATOM 0 HB3 LEU A 56 2.414 -5.000 12.825 1.00 0.84 H new ATOM 0 HG LEU A 56 2.520 -3.220 14.573 1.00 1.24 H new ATOM 0 HD11 LEU A 56 0.837 -3.140 16.372 1.00 2.61 H new ATOM 0 HD12 LEU A 56 0.210 -2.559 14.811 1.00 2.61 H new ATOM 0 HD13 LEU A 56 -0.231 -4.179 15.400 1.00 2.61 H new ATOM 0 HD21 LEU A 56 2.519 -4.873 16.493 1.00 1.45 H new ATOM 0 HD22 LEU A 56 1.610 -6.013 15.472 1.00 1.45 H new ATOM 0 HD23 LEU A 56 3.271 -5.551 15.028 1.00 1.45 H new ATOM 885 N ALA A 57 3.330 -2.564 11.259 1.00 0.78 N ATOM 886 CA ALA A 57 4.426 -1.620 11.039 1.00 0.85 C ATOM 887 C ALA A 57 3.949 -0.334 10.350 1.00 1.03 C ATOM 888 O ALA A 57 4.220 0.759 10.852 1.00 1.27 O ATOM 889 CB ALA A 57 5.529 -2.327 10.254 1.00 0.85 C ATOM 0 H ALA A 57 3.410 -3.423 10.715 1.00 0.78 H new ATOM 0 HA ALA A 57 4.826 -1.300 12.001 1.00 0.85 H new ATOM 0 HB1 ALA A 57 6.354 -1.635 10.082 1.00 0.85 H new ATOM 0 HB2 ALA A 57 5.888 -3.185 10.823 1.00 0.85 H new ATOM 0 HB3 ALA A 57 5.134 -2.666 9.296 1.00 0.85 H new ATOM 895 N LEU A 58 3.173 -0.456 9.264 1.00 0.83 N ATOM 896 CA LEU A 58 2.518 0.660 8.565 1.00 0.89 C ATOM 897 C LEU A 58 1.747 1.539 9.556 1.00 1.22 C ATOM 898 O LEU A 58 2.016 2.732 9.693 1.00 1.39 O ATOM 899 CB LEU A 58 1.565 0.090 7.488 1.00 0.89 C ATOM 900 CG LEU A 58 2.252 -0.531 6.254 1.00 1.06 C ATOM 901 CD1 LEU A 58 1.231 -1.300 5.408 1.00 1.41 C ATOM 902 CD2 LEU A 58 2.889 0.535 5.367 1.00 1.46 C ATOM 0 H LEU A 58 2.978 -1.360 8.835 1.00 0.83 H new ATOM 0 HA LEU A 58 3.275 1.282 8.087 1.00 0.89 H new ATOM 0 HB2 LEU A 58 0.934 -0.669 7.951 1.00 0.89 H new ATOM 0 HB3 LEU A 58 0.906 0.890 7.151 1.00 0.89 H new ATOM 0 HG LEU A 58 3.027 -1.201 6.626 1.00 1.06 H new ATOM 0 HD11 LEU A 58 1.729 -1.733 4.541 1.00 1.41 H new ATOM 0 HD12 LEU A 58 0.788 -2.096 6.007 1.00 1.41 H new ATOM 0 HD13 LEU A 58 0.448 -0.619 5.074 1.00 1.41 H new ATOM 0 HD21 LEU A 58 3.363 0.059 4.509 1.00 1.46 H new ATOM 0 HD22 LEU A 58 2.121 1.226 5.020 1.00 1.46 H new ATOM 0 HD23 LEU A 58 3.639 1.083 5.938 1.00 1.46 H new ATOM 914 N LYS A 59 0.825 0.935 10.308 1.00 0.87 N ATOM 915 CA LYS A 59 0.003 1.671 11.271 1.00 0.92 C ATOM 916 C LYS A 59 0.816 2.216 12.466 1.00 1.08 C ATOM 917 O LYS A 59 0.539 3.319 12.935 1.00 1.14 O ATOM 918 CB LYS A 59 -1.202 0.786 11.642 1.00 1.01 C ATOM 919 CG LYS A 59 -1.046 -0.105 12.881 1.00 1.00 C ATOM 920 CD LYS A 59 -1.837 0.508 14.041 1.00 1.47 C ATOM 921 CE LYS A 59 -1.678 -0.262 15.350 1.00 1.10 C ATOM 922 NZ LYS A 59 -2.398 0.434 16.445 1.00 1.48 N ATOM 0 H LYS A 59 0.628 -0.065 10.268 1.00 0.87 H new ATOM 0 HA LYS A 59 -0.383 2.586 10.820 1.00 0.92 H new ATOM 0 HB2 LYS A 59 -2.066 1.433 11.795 1.00 1.01 H new ATOM 0 HB3 LYS A 59 -1.430 0.146 10.789 1.00 1.01 H new ATOM 0 HG2 LYS A 59 -1.408 -1.111 12.669 1.00 1.00 H new ATOM 0 HG3 LYS A 59 0.007 -0.195 13.149 1.00 1.00 H new ATOM 0 HD2 LYS A 59 -1.511 1.537 14.191 1.00 1.47 H new ATOM 0 HD3 LYS A 59 -2.893 0.543 13.774 1.00 1.47 H new ATOM 0 HE2 LYS A 59 -2.067 -1.274 15.235 1.00 1.10 H new ATOM 0 HE3 LYS A 59 -0.621 -0.353 15.600 1.00 1.10 H new ATOM 0 HZ1 LYS A 59 -1.716 0.956 17.032 1.00 1.48 H new ATOM 0 HZ2 LYS A 59 -3.087 1.100 16.040 1.00 1.48 H new ATOM 0 HZ3 LYS A 59 -2.897 -0.265 17.032 1.00 1.48 H new ATOM 936 N ARG A 60 1.858 1.507 12.924 1.00 0.91 N ATOM 937 CA ARG A 60 2.777 2.000 13.962 1.00 0.95 C ATOM 938 C ARG A 60 3.587 3.198 13.454 1.00 1.38 C ATOM 939 O ARG A 60 3.952 4.039 14.270 1.00 1.37 O ATOM 940 CB ARG A 60 3.716 0.891 14.465 1.00 0.95 C ATOM 941 CG ARG A 60 3.063 -0.160 15.387 1.00 1.15 C ATOM 942 CD ARG A 60 3.211 0.111 16.894 1.00 1.55 C ATOM 943 NE ARG A 60 2.162 0.990 17.431 1.00 2.95 N ATOM 944 CZ ARG A 60 1.968 1.328 18.700 1.00 4.02 C ATOM 945 NH1 ARG A 60 2.787 0.950 19.662 1.00 3.90 N ATOM 946 NH2 ARG A 60 0.921 2.047 19.034 1.00 5.56 N ATOM 0 H ARG A 60 2.088 0.573 12.585 1.00 0.91 H new ATOM 0 HA ARG A 60 2.167 2.326 14.804 1.00 0.95 H new ATOM 0 HB2 ARG A 60 4.141 0.379 13.602 1.00 0.95 H new ATOM 0 HB3 ARG A 60 4.545 1.355 15.000 1.00 0.95 H new ATOM 0 HG2 ARG A 60 2.001 -0.221 15.147 1.00 1.15 H new ATOM 0 HG3 ARG A 60 3.497 -1.135 15.165 1.00 1.15 H new ATOM 0 HD2 ARG A 60 3.191 -0.838 17.431 1.00 1.55 H new ATOM 0 HD3 ARG A 60 4.185 0.563 17.081 1.00 1.55 H new ATOM 0 HE ARG A 60 1.510 1.384 16.753 1.00 2.95 H new ATOM 0 HH11 ARG A 60 3.603 0.378 19.442 1.00 3.90 H new ATOM 0 HH12 ARG A 60 2.605 1.230 20.626 1.00 3.90 H new ATOM 0 HH21 ARG A 60 0.258 2.345 18.319 1.00 5.56 H new ATOM 0 HH22 ARG A 60 0.771 2.307 20.009 1.00 5.56 H new ATOM 960 N ALA A 61 3.838 3.314 12.145 1.00 0.96 N ATOM 961 CA ALA A 61 4.464 4.490 11.545 1.00 1.00 C ATOM 962 C ALA A 61 3.523 5.706 11.555 1.00 1.12 C ATOM 963 O ALA A 61 3.953 6.785 11.959 1.00 1.22 O ATOM 964 CB ALA A 61 4.986 4.151 10.140 1.00 1.03 C ATOM 0 H ALA A 61 3.609 2.585 11.469 1.00 0.96 H new ATOM 0 HA ALA A 61 5.322 4.777 12.153 1.00 1.00 H new ATOM 0 HB1 ALA A 61 5.451 5.034 9.702 1.00 1.03 H new ATOM 0 HB2 ALA A 61 5.722 3.350 10.209 1.00 1.03 H new ATOM 0 HB3 ALA A 61 4.156 3.828 9.512 1.00 1.03 H new ATOM 970 N TYR A 62 2.234 5.521 11.235 1.00 1.00 N ATOM 971 CA TYR A 62 1.195 6.548 11.433 1.00 1.02 C ATOM 972 C TYR A 62 1.099 6.998 12.906 1.00 1.22 C ATOM 973 O TYR A 62 1.015 8.192 13.181 1.00 1.40 O ATOM 974 CB TYR A 62 -0.167 6.046 10.914 1.00 1.10 C ATOM 975 CG TYR A 62 -1.297 7.058 11.059 1.00 1.65 C ATOM 976 CD1 TYR A 62 -1.925 7.245 12.308 1.00 2.46 C ATOM 977 CD2 TYR A 62 -1.696 7.849 9.964 1.00 2.34 C ATOM 978 CE1 TYR A 62 -2.873 8.270 12.486 1.00 3.08 C ATOM 979 CE2 TYR A 62 -2.676 8.848 10.123 1.00 2.83 C ATOM 980 CZ TYR A 62 -3.248 9.080 11.394 1.00 2.95 C ATOM 981 OH TYR A 62 -4.157 10.081 11.558 1.00 3.68 O ATOM 0 H TYR A 62 1.880 4.654 10.831 1.00 1.00 H new ATOM 0 HA TYR A 62 1.484 7.424 10.853 1.00 1.02 H new ATOM 0 HB2 TYR A 62 -0.067 5.777 9.862 1.00 1.10 H new ATOM 0 HB3 TYR A 62 -0.436 5.137 11.451 1.00 1.10 H new ATOM 0 HD1 TYR A 62 -1.676 6.596 13.135 1.00 2.46 H new ATOM 0 HD2 TYR A 62 -1.247 7.688 8.995 1.00 2.34 H new ATOM 0 HE1 TYR A 62 -3.313 8.436 13.458 1.00 3.08 H new ATOM 0 HE2 TYR A 62 -2.990 9.437 9.274 1.00 2.83 H new ATOM 0 HH TYR A 62 -3.890 10.645 12.314 1.00 3.68 H new ATOM 991 N GLU A 63 1.147 6.056 13.856 1.00 0.97 N ATOM 992 CA GLU A 63 1.104 6.346 15.300 1.00 1.16 C ATOM 993 C GLU A 63 2.384 7.043 15.800 1.00 1.45 C ATOM 994 O GLU A 63 2.367 7.706 16.835 1.00 1.79 O ATOM 995 CB GLU A 63 0.868 5.048 16.092 1.00 1.27 C ATOM 996 CG GLU A 63 -0.541 4.461 15.905 1.00 1.41 C ATOM 997 CD GLU A 63 -0.636 3.072 16.531 1.00 1.88 C ATOM 998 OE1 GLU A 63 0.063 2.139 16.094 1.00 2.70 O ATOM 999 OE2 GLU A 63 -1.395 2.822 17.490 1.00 2.47 O ATOM 0 H GLU A 63 1.217 5.061 13.645 1.00 0.97 H new ATOM 0 HA GLU A 63 0.276 7.035 15.465 1.00 1.16 H new ATOM 0 HB2 GLU A 63 1.605 4.306 15.786 1.00 1.27 H new ATOM 0 HB3 GLU A 63 1.034 5.243 17.151 1.00 1.27 H new ATOM 0 HG2 GLU A 63 -1.279 5.122 16.361 1.00 1.41 H new ATOM 0 HG3 GLU A 63 -0.778 4.403 14.843 1.00 1.41 H new ATOM 1006 N LYS A 64 3.492 6.954 15.057 1.00 1.15 N ATOM 1007 CA LYS A 64 4.725 7.692 15.343 1.00 1.34 C ATOM 1008 C LYS A 64 4.682 9.175 14.905 1.00 1.36 C ATOM 1009 O LYS A 64 5.650 9.904 15.142 1.00 1.72 O ATOM 1010 CB LYS A 64 5.885 6.963 14.637 1.00 1.59 C ATOM 1011 CG LYS A 64 7.189 6.944 15.449 1.00 2.09 C ATOM 1012 CD LYS A 64 7.239 5.759 16.430 1.00 2.14 C ATOM 1013 CE LYS A 64 8.577 5.707 17.186 1.00 2.96 C ATOM 1014 NZ LYS A 64 9.727 5.383 16.302 1.00 4.14 N ATOM 0 H LYS A 64 3.558 6.360 14.230 1.00 1.15 H new ATOM 0 HA LYS A 64 4.860 7.713 16.424 1.00 1.34 H new ATOM 0 HB2 LYS A 64 5.583 5.937 14.427 1.00 1.59 H new ATOM 0 HB3 LYS A 64 6.073 7.443 13.676 1.00 1.59 H new ATOM 0 HG2 LYS A 64 8.039 6.888 14.769 1.00 2.09 H new ATOM 0 HG3 LYS A 64 7.285 7.878 16.003 1.00 2.09 H new ATOM 0 HD2 LYS A 64 6.420 5.842 17.144 1.00 2.14 H new ATOM 0 HD3 LYS A 64 7.092 4.827 15.884 1.00 2.14 H new ATOM 0 HE2 LYS A 64 8.755 6.669 17.667 1.00 2.96 H new ATOM 0 HE3 LYS A 64 8.512 4.961 17.978 1.00 2.96 H new ATOM 0 HZ1 LYS A 64 10.610 5.700 16.751 1.00 4.14 H new ATOM 0 HZ2 LYS A 64 9.767 4.355 16.147 1.00 4.14 H new ATOM 0 HZ3 LYS A 64 9.610 5.866 15.389 1.00 4.14 H new ATOM 1028 N LEU A 65 3.638 9.629 14.198 1.00 1.05 N ATOM 1029 CA LEU A 65 3.596 10.961 13.583 1.00 1.11 C ATOM 1030 C LEU A 65 3.151 12.044 14.586 1.00 1.55 C ATOM 1031 O LEU A 65 2.189 11.820 15.319 1.00 1.79 O ATOM 1032 CB LEU A 65 2.634 10.949 12.378 1.00 1.10 C ATOM 1033 CG LEU A 65 3.021 10.003 11.227 1.00 1.15 C ATOM 1034 CD1 LEU A 65 1.992 10.150 10.099 1.00 1.56 C ATOM 1035 CD2 LEU A 65 4.440 10.251 10.685 1.00 1.51 C ATOM 0 H LEU A 65 2.795 9.079 14.036 1.00 1.05 H new ATOM 0 HA LEU A 65 4.606 11.204 13.254 1.00 1.11 H new ATOM 0 HB2 LEU A 65 1.640 10.674 12.732 1.00 1.10 H new ATOM 0 HB3 LEU A 65 2.562 11.962 11.983 1.00 1.10 H new ATOM 0 HG LEU A 65 3.021 8.987 11.623 1.00 1.15 H new ATOM 0 HD11 LEU A 65 2.256 9.484 9.277 1.00 1.56 H new ATOM 0 HD12 LEU A 65 1.002 9.890 10.473 1.00 1.56 H new ATOM 0 HD13 LEU A 65 1.986 11.180 9.744 1.00 1.56 H new ATOM 0 HD21 LEU A 65 4.648 9.551 9.876 1.00 1.51 H new ATOM 0 HD22 LEU A 65 4.513 11.271 10.309 1.00 1.51 H new ATOM 0 HD23 LEU A 65 5.166 10.107 11.486 1.00 1.51 H new ATOM 1047 N PRO A 66 3.741 13.258 14.571 1.00 1.51 N ATOM 1048 CA PRO A 66 3.151 14.405 15.252 1.00 1.77 C ATOM 1049 C PRO A 66 1.785 14.747 14.634 1.00 1.80 C ATOM 1050 O PRO A 66 1.564 14.472 13.448 1.00 1.60 O ATOM 1051 CB PRO A 66 4.147 15.558 15.102 1.00 2.02 C ATOM 1052 CG PRO A 66 4.957 15.190 13.862 1.00 1.95 C ATOM 1053 CD PRO A 66 4.944 13.662 13.861 1.00 1.64 C ATOM 0 HA PRO A 66 2.969 14.199 16.307 1.00 1.77 H new ATOM 0 HB2 PRO A 66 3.636 16.512 14.976 1.00 2.02 H new ATOM 0 HB3 PRO A 66 4.784 15.651 15.981 1.00 2.02 H new ATOM 0 HG2 PRO A 66 4.507 15.595 12.955 1.00 1.95 H new ATOM 0 HG3 PRO A 66 5.973 15.582 13.916 1.00 1.95 H new ATOM 0 HD2 PRO A 66 4.941 13.275 12.842 1.00 1.64 H new ATOM 0 HD3 PRO A 66 5.834 13.266 14.350 1.00 1.64 H new ATOM 1061 N PRO A 67 0.890 15.403 15.398 1.00 1.93 N ATOM 1062 CA PRO A 67 -0.472 15.704 14.964 1.00 1.98 C ATOM 1063 C PRO A 67 -0.546 16.661 13.766 1.00 2.06 C ATOM 1064 O PRO A 67 -1.636 16.864 13.249 1.00 2.07 O ATOM 1065 CB PRO A 67 -1.187 16.265 16.200 1.00 2.23 C ATOM 1066 CG PRO A 67 -0.050 16.841 17.041 1.00 2.36 C ATOM 1067 CD PRO A 67 1.090 15.862 16.766 1.00 2.20 C ATOM 0 HA PRO A 67 -0.955 14.800 14.592 1.00 1.98 H new ATOM 0 HB2 PRO A 67 -1.914 17.031 15.930 1.00 2.23 H new ATOM 0 HB3 PRO A 67 -1.729 15.487 16.737 1.00 2.23 H new ATOM 0 HG2 PRO A 67 0.205 17.857 16.738 1.00 2.36 H new ATOM 0 HG3 PRO A 67 -0.307 16.879 18.100 1.00 2.36 H new ATOM 0 HD2 PRO A 67 2.059 16.347 16.879 1.00 2.20 H new ATOM 0 HD3 PRO A 67 1.068 15.027 17.467 1.00 2.20 H new ATOM 1075 N LYS A 68 0.582 17.209 13.286 1.00 1.95 N ATOM 1076 CA LYS A 68 0.644 17.971 12.026 1.00 1.97 C ATOM 1077 C LYS A 68 1.256 17.198 10.842 1.00 2.07 C ATOM 1078 O LYS A 68 1.003 17.544 9.690 1.00 2.16 O ATOM 1079 CB LYS A 68 1.292 19.351 12.277 1.00 2.10 C ATOM 1080 CG LYS A 68 0.396 20.331 13.076 1.00 2.14 C ATOM 1081 CD LYS A 68 -1.006 20.432 12.455 1.00 2.10 C ATOM 1082 CE LYS A 68 -1.910 21.580 12.899 1.00 2.72 C ATOM 1083 NZ LYS A 68 -3.228 21.427 12.228 1.00 2.97 N ATOM 0 H LYS A 68 1.481 17.136 13.762 1.00 1.95 H new ATOM 0 HA LYS A 68 -0.382 18.137 11.696 1.00 1.97 H new ATOM 0 HB2 LYS A 68 2.228 19.209 12.816 1.00 2.10 H new ATOM 0 HB3 LYS A 68 1.542 19.804 11.318 1.00 2.10 H new ATOM 0 HG2 LYS A 68 0.316 19.994 14.110 1.00 2.14 H new ATOM 0 HG3 LYS A 68 0.860 21.317 13.097 1.00 2.14 H new ATOM 0 HD2 LYS A 68 -0.887 20.501 11.374 1.00 2.10 H new ATOM 0 HD3 LYS A 68 -1.529 19.498 12.660 1.00 2.10 H new ATOM 0 HE2 LYS A 68 -2.032 21.569 13.982 1.00 2.72 H new ATOM 0 HE3 LYS A 68 -1.461 22.539 12.639 1.00 2.72 H new ATOM 0 HZ1 LYS A 68 -3.858 22.202 12.519 1.00 2.97 H new ATOM 0 HZ2 LYS A 68 -3.098 21.456 11.197 1.00 2.97 H new ATOM 0 HZ3 LYS A 68 -3.652 20.516 12.498 1.00 2.97 H new ATOM 1097 N ALA A 69 1.988 16.113 11.100 1.00 1.69 N ATOM 1098 CA ALA A 69 2.295 15.114 10.076 1.00 1.51 C ATOM 1099 C ALA A 69 1.072 14.255 9.718 1.00 1.39 C ATOM 1100 O ALA A 69 0.828 14.049 8.535 1.00 1.36 O ATOM 1101 CB ALA A 69 3.478 14.276 10.551 1.00 1.45 C ATOM 0 H ALA A 69 2.382 15.903 12.017 1.00 1.69 H new ATOM 0 HA ALA A 69 2.569 15.620 9.150 1.00 1.51 H new ATOM 0 HB1 ALA A 69 3.719 13.526 9.797 1.00 1.45 H new ATOM 0 HB2 ALA A 69 4.342 14.922 10.709 1.00 1.45 H new ATOM 0 HB3 ALA A 69 3.220 13.780 11.487 1.00 1.45 H new ATOM 1107 N GLN A 70 0.281 13.793 10.693 1.00 1.35 N ATOM 1108 CA GLN A 70 -0.839 12.886 10.406 1.00 1.31 C ATOM 1109 C GLN A 70 -1.848 13.464 9.394 1.00 1.42 C ATOM 1110 O GLN A 70 -2.348 12.722 8.561 1.00 1.57 O ATOM 1111 CB GLN A 70 -1.512 12.435 11.713 1.00 1.47 C ATOM 1112 CG GLN A 70 -2.483 13.466 12.311 1.00 2.04 C ATOM 1113 CD GLN A 70 -3.206 12.988 13.568 1.00 2.35 C ATOM 1114 OE1 GLN A 70 -3.405 11.811 13.814 1.00 2.22 O ATOM 1115 NE2 GLN A 70 -3.671 13.898 14.396 1.00 3.48 N ATOM 0 H GLN A 70 0.393 14.029 11.679 1.00 1.35 H new ATOM 0 HA GLN A 70 -0.423 12.005 9.916 1.00 1.31 H new ATOM 0 HB2 GLN A 70 -2.054 11.507 11.528 1.00 1.47 H new ATOM 0 HB3 GLN A 70 -0.739 12.212 12.448 1.00 1.47 H new ATOM 0 HG2 GLN A 70 -1.930 14.375 12.547 1.00 2.04 H new ATOM 0 HG3 GLN A 70 -3.224 13.730 11.557 1.00 2.04 H new ATOM 0 HE21 GLN A 70 -3.514 14.888 14.206 1.00 3.48 H new ATOM 0 HE22 GLN A 70 -4.188 13.614 15.228 1.00 3.48 H new ATOM 1124 N GLU A 71 -2.084 14.784 9.408 1.00 1.47 N ATOM 1125 CA GLU A 71 -3.140 15.470 8.634 1.00 1.45 C ATOM 1126 C GLU A 71 -3.020 15.288 7.123 1.00 1.45 C ATOM 1127 O GLU A 71 -4.013 15.380 6.400 1.00 1.70 O ATOM 1128 CB GLU A 71 -3.129 16.982 8.921 1.00 1.58 C ATOM 1129 CG GLU A 71 -3.014 17.264 10.414 1.00 1.87 C ATOM 1130 CD GLU A 71 -3.382 18.698 10.791 1.00 2.54 C ATOM 1131 OE1 GLU A 71 -2.871 19.648 10.154 1.00 2.98 O ATOM 1132 OE2 GLU A 71 -4.077 18.907 11.805 1.00 3.44 O ATOM 0 H GLU A 71 -1.531 15.427 9.974 1.00 1.47 H new ATOM 0 HA GLU A 71 -4.071 15.006 8.959 1.00 1.45 H new ATOM 0 HB2 GLU A 71 -2.295 17.447 8.396 1.00 1.58 H new ATOM 0 HB3 GLU A 71 -4.042 17.434 8.533 1.00 1.58 H new ATOM 0 HG2 GLU A 71 -3.662 16.576 10.957 1.00 1.87 H new ATOM 0 HG3 GLU A 71 -1.993 17.062 10.737 1.00 1.87 H new ATOM 1139 N ARG A 72 -1.796 15.030 6.650 1.00 1.17 N ATOM 1140 CA ARG A 72 -1.547 14.680 5.247 1.00 1.10 C ATOM 1141 C ARG A 72 -1.456 13.170 4.969 1.00 1.32 C ATOM 1142 O ARG A 72 -1.441 12.819 3.790 1.00 1.63 O ATOM 1143 CB ARG A 72 -0.325 15.415 4.677 1.00 1.38 C ATOM 1144 CG ARG A 72 0.967 15.135 5.453 1.00 1.53 C ATOM 1145 CD ARG A 72 1.316 16.330 6.340 1.00 1.35 C ATOM 1146 NE ARG A 72 2.126 17.279 5.573 1.00 2.05 N ATOM 1147 CZ ARG A 72 1.969 18.566 5.344 1.00 2.47 C ATOM 1148 NH1 ARG A 72 0.972 19.272 5.836 1.00 3.06 N ATOM 1149 NH2 ARG A 72 2.869 19.136 4.578 1.00 3.29 N ATOM 0 H ARG A 72 -0.954 15.058 7.225 1.00 1.17 H new ATOM 0 HA ARG A 72 -2.438 15.024 4.721 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -0.186 15.122 3.636 1.00 1.38 H new ATOM 0 HB3 ARG A 72 -0.519 16.488 4.683 1.00 1.38 H new ATOM 0 HG2 ARG A 72 0.847 14.241 6.065 1.00 1.53 H new ATOM 0 HG3 ARG A 72 1.783 14.938 4.757 1.00 1.53 H new ATOM 0 HD2 ARG A 72 0.406 16.814 6.694 1.00 1.35 H new ATOM 0 HD3 ARG A 72 1.863 15.996 7.222 1.00 1.35 H new ATOM 0 HE ARG A 72 2.956 16.872 5.141 1.00 2.05 H new ATOM 0 HH11 ARG A 72 0.272 18.823 6.427 1.00 3.06 H new ATOM 0 HH12 ARG A 72 0.899 20.267 5.626 1.00 3.06 H new ATOM 0 HH21 ARG A 72 3.637 18.584 4.196 1.00 3.29 H new ATOM 0 HH22 ARG A 72 2.801 20.131 4.365 1.00 3.29 H new ATOM 1163 N VAL A 73 -1.366 12.289 5.971 1.00 1.04 N ATOM 1164 CA VAL A 73 -1.054 10.857 5.784 1.00 1.03 C ATOM 1165 C VAL A 73 -2.324 10.008 5.881 1.00 1.26 C ATOM 1166 O VAL A 73 -3.125 10.160 6.801 1.00 1.57 O ATOM 1167 CB VAL A 73 0.021 10.350 6.777 1.00 1.22 C ATOM 1168 CG1 VAL A 73 0.322 8.849 6.602 1.00 1.38 C ATOM 1169 CG2 VAL A 73 1.348 11.108 6.581 1.00 2.39 C ATOM 0 H VAL A 73 -1.508 12.547 6.947 1.00 1.04 H new ATOM 0 HA VAL A 73 -0.636 10.752 4.783 1.00 1.03 H new ATOM 0 HB VAL A 73 -0.388 10.525 7.772 1.00 1.22 H new ATOM 0 HG11 VAL A 73 1.082 8.544 7.322 1.00 1.38 H new ATOM 0 HG12 VAL A 73 -0.588 8.273 6.770 1.00 1.38 H new ATOM 0 HG13 VAL A 73 0.686 8.666 5.591 1.00 1.38 H new ATOM 0 HG21 VAL A 73 2.088 10.735 7.289 1.00 2.39 H new ATOM 0 HG22 VAL A 73 1.709 10.953 5.564 1.00 2.39 H new ATOM 0 HG23 VAL A 73 1.187 12.173 6.751 1.00 2.39 H new ATOM 1179 N GLN A 74 -2.470 9.080 4.935 1.00 0.86 N ATOM 1180 CA GLN A 74 -3.480 8.022 4.908 1.00 0.87 C ATOM 1181 C GLN A 74 -2.822 6.723 4.413 1.00 1.04 C ATOM 1182 O GLN A 74 -1.774 6.772 3.767 1.00 1.30 O ATOM 1183 CB GLN A 74 -4.657 8.433 4.000 1.00 0.94 C ATOM 1184 CG GLN A 74 -5.394 9.682 4.521 1.00 1.85 C ATOM 1185 CD GLN A 74 -6.628 10.058 3.703 1.00 2.25 C ATOM 1186 OE1 GLN A 74 -6.660 11.050 2.992 1.00 3.09 O ATOM 1187 NE2 GLN A 74 -7.712 9.311 3.799 1.00 2.84 N ATOM 0 H GLN A 74 -1.853 9.044 4.123 1.00 0.86 H new ATOM 0 HA GLN A 74 -3.879 7.859 5.909 1.00 0.87 H new ATOM 0 HB2 GLN A 74 -4.285 8.627 2.994 1.00 0.94 H new ATOM 0 HB3 GLN A 74 -5.361 7.604 3.925 1.00 0.94 H new ATOM 0 HG2 GLN A 74 -5.694 9.510 5.555 1.00 1.85 H new ATOM 0 HG3 GLN A 74 -4.702 10.525 4.526 1.00 1.85 H new ATOM 0 HE21 GLN A 74 -7.707 8.478 4.387 1.00 2.84 H new ATOM 0 HE22 GLN A 74 -8.555 9.567 3.285 1.00 2.84 H new ATOM 1196 N VAL A 75 -3.410 5.564 4.715 1.00 0.82 N ATOM 1197 CA VAL A 75 -2.859 4.254 4.322 1.00 0.80 C ATOM 1198 C VAL A 75 -3.886 3.529 3.445 1.00 0.92 C ATOM 1199 O VAL A 75 -5.091 3.626 3.681 1.00 1.25 O ATOM 1200 CB VAL A 75 -2.451 3.408 5.556 1.00 0.89 C ATOM 1201 CG1 VAL A 75 -1.414 2.339 5.173 1.00 1.11 C ATOM 1202 CG2 VAL A 75 -1.832 4.245 6.692 1.00 1.34 C ATOM 0 H VAL A 75 -4.283 5.501 5.239 1.00 0.82 H new ATOM 0 HA VAL A 75 -1.945 4.406 3.748 1.00 0.80 H new ATOM 0 HB VAL A 75 -3.380 2.958 5.907 1.00 0.89 H new ATOM 0 HG11 VAL A 75 -1.145 1.760 6.056 1.00 1.11 H new ATOM 0 HG12 VAL A 75 -1.837 1.675 4.419 1.00 1.11 H new ATOM 0 HG13 VAL A 75 -0.524 2.823 4.772 1.00 1.11 H new ATOM 0 HG21 VAL A 75 -1.569 3.592 7.524 1.00 1.34 H new ATOM 0 HG22 VAL A 75 -0.935 4.746 6.328 1.00 1.34 H new ATOM 0 HG23 VAL A 75 -2.553 4.990 7.029 1.00 1.34 H new ATOM 1212 N ILE A 76 -3.440 2.843 2.390 1.00 0.68 N ATOM 1213 CA ILE A 76 -4.310 2.219 1.381 1.00 0.66 C ATOM 1214 C ILE A 76 -3.825 0.802 1.070 1.00 0.80 C ATOM 1215 O ILE A 76 -2.713 0.590 0.586 1.00 0.99 O ATOM 1216 CB ILE A 76 -4.442 3.104 0.116 1.00 0.78 C ATOM 1217 CG1 ILE A 76 -5.020 4.489 0.515 1.00 1.16 C ATOM 1218 CG2 ILE A 76 -5.338 2.402 -0.926 1.00 0.85 C ATOM 1219 CD1 ILE A 76 -5.445 5.403 -0.635 1.00 1.79 C ATOM 0 H ILE A 76 -2.447 2.701 2.207 1.00 0.68 H new ATOM 0 HA ILE A 76 -5.317 2.135 1.789 1.00 0.66 H new ATOM 0 HB ILE A 76 -3.461 3.256 -0.334 1.00 0.78 H new ATOM 0 HG12 ILE A 76 -5.884 4.326 1.160 1.00 1.16 H new ATOM 0 HG13 ILE A 76 -4.272 5.013 1.110 1.00 1.16 H new ATOM 0 HG21 ILE A 76 -5.426 3.030 -1.812 1.00 0.85 H new ATOM 0 HG22 ILE A 76 -4.894 1.445 -1.202 1.00 0.85 H new ATOM 0 HG23 ILE A 76 -6.327 2.234 -0.501 1.00 0.85 H new ATOM 0 HD11 ILE A 76 -5.832 6.339 -0.232 1.00 1.79 H new ATOM 0 HD12 ILE A 76 -4.585 5.610 -1.272 1.00 1.79 H new ATOM 0 HD13 ILE A 76 -6.222 4.912 -1.222 1.00 1.79 H new ATOM 1231 N PHE A 77 -4.697 -0.169 1.347 1.00 0.61 N ATOM 1232 CA PHE A 77 -4.464 -1.585 1.099 1.00 0.61 C ATOM 1233 C PHE A 77 -5.166 -1.968 -0.205 1.00 1.49 C ATOM 1234 O PHE A 77 -6.391 -1.953 -0.295 1.00 1.85 O ATOM 1235 CB PHE A 77 -4.969 -2.401 2.301 1.00 0.69 C ATOM 1236 CG PHE A 77 -4.611 -3.877 2.276 1.00 0.81 C ATOM 1237 CD1 PHE A 77 -3.264 -4.278 2.283 1.00 2.18 C ATOM 1238 CD2 PHE A 77 -5.625 -4.852 2.312 1.00 2.14 C ATOM 1239 CE1 PHE A 77 -2.930 -5.647 2.330 1.00 2.36 C ATOM 1240 CE2 PHE A 77 -5.295 -6.218 2.347 1.00 1.98 C ATOM 1241 CZ PHE A 77 -3.947 -6.615 2.364 1.00 1.26 C ATOM 0 H PHE A 77 -5.610 0.018 1.762 1.00 0.61 H new ATOM 0 HA PHE A 77 -3.401 -1.800 0.988 1.00 0.61 H new ATOM 0 HB2 PHE A 77 -4.566 -1.961 3.213 1.00 0.69 H new ATOM 0 HB3 PHE A 77 -6.054 -2.307 2.354 1.00 0.69 H new ATOM 0 HD1 PHE A 77 -2.481 -3.534 2.252 1.00 2.18 H new ATOM 0 HD2 PHE A 77 -6.662 -4.549 2.313 1.00 2.14 H new ATOM 0 HE1 PHE A 77 -1.894 -5.951 2.340 1.00 2.36 H new ATOM 0 HE2 PHE A 77 -6.077 -6.962 2.361 1.00 1.98 H new ATOM 0 HZ PHE A 77 -3.693 -7.664 2.403 1.00 1.26 H new ATOM 1251 N VAL A 78 -4.386 -2.305 -1.225 1.00 0.65 N ATOM 1252 CA VAL A 78 -4.889 -2.738 -2.530 1.00 0.69 C ATOM 1253 C VAL A 78 -4.744 -4.251 -2.608 1.00 0.91 C ATOM 1254 O VAL A 78 -3.642 -4.783 -2.440 1.00 1.11 O ATOM 1255 CB VAL A 78 -4.215 -2.014 -3.717 1.00 0.81 C ATOM 1256 CG1 VAL A 78 -4.948 -0.702 -4.028 1.00 2.68 C ATOM 1257 CG2 VAL A 78 -2.741 -1.668 -3.473 1.00 1.86 C ATOM 0 H VAL A 78 -3.368 -2.286 -1.171 1.00 0.65 H new ATOM 0 HA VAL A 78 -5.940 -2.462 -2.616 1.00 0.69 H new ATOM 0 HB VAL A 78 -4.269 -2.716 -4.549 1.00 0.81 H new ATOM 0 HG11 VAL A 78 -4.462 -0.203 -4.866 1.00 2.68 H new ATOM 0 HG12 VAL A 78 -5.985 -0.917 -4.286 1.00 2.68 H new ATOM 0 HG13 VAL A 78 -4.919 -0.053 -3.153 1.00 2.68 H new ATOM 0 HG21 VAL A 78 -2.336 -1.162 -4.349 1.00 1.86 H new ATOM 0 HG22 VAL A 78 -2.660 -1.013 -2.606 1.00 1.86 H new ATOM 0 HG23 VAL A 78 -2.178 -2.583 -3.290 1.00 1.86 H new ATOM 1267 N SER A 79 -5.870 -4.946 -2.784 1.00 0.70 N ATOM 1268 CA SER A 79 -5.843 -6.402 -2.850 1.00 0.77 C ATOM 1269 C SER A 79 -5.353 -6.859 -4.221 1.00 0.89 C ATOM 1270 O SER A 79 -5.706 -6.288 -5.249 1.00 1.11 O ATOM 1271 CB SER A 79 -7.128 -7.096 -2.389 1.00 1.06 C ATOM 1272 OG SER A 79 -7.762 -7.846 -3.411 1.00 2.02 O ATOM 0 H SER A 79 -6.796 -4.529 -2.882 1.00 0.70 H new ATOM 0 HA SER A 79 -5.120 -6.734 -2.105 1.00 0.77 H new ATOM 0 HB2 SER A 79 -6.895 -7.758 -1.555 1.00 1.06 H new ATOM 0 HB3 SER A 79 -7.824 -6.345 -2.016 1.00 1.06 H new ATOM 0 HG SER A 79 -8.635 -8.158 -3.094 1.00 2.02 H new ATOM 1278 N VAL A 80 -4.524 -7.898 -4.209 1.00 0.94 N ATOM 1279 CA VAL A 80 -3.813 -8.412 -5.398 1.00 1.01 C ATOM 1280 C VAL A 80 -4.518 -9.612 -6.037 1.00 1.32 C ATOM 1281 O VAL A 80 -3.952 -10.233 -6.938 1.00 1.51 O ATOM 1282 CB VAL A 80 -2.335 -8.754 -5.082 1.00 1.07 C ATOM 1283 CG1 VAL A 80 -1.547 -7.503 -4.674 1.00 2.57 C ATOM 1284 CG2 VAL A 80 -2.204 -9.834 -3.996 1.00 1.78 C ATOM 0 H VAL A 80 -4.316 -8.424 -3.360 1.00 0.94 H new ATOM 0 HA VAL A 80 -3.828 -7.602 -6.127 1.00 1.01 H new ATOM 0 HB VAL A 80 -1.910 -9.154 -6.003 1.00 1.07 H new ATOM 0 HG11 VAL A 80 -0.514 -7.778 -4.459 1.00 2.57 H new ATOM 0 HG12 VAL A 80 -1.568 -6.778 -5.488 1.00 2.57 H new ATOM 0 HG13 VAL A 80 -1.998 -7.063 -3.785 1.00 2.57 H new ATOM 0 HG21 VAL A 80 -1.149 -10.038 -3.811 1.00 1.78 H new ATOM 0 HG22 VAL A 80 -2.673 -9.484 -3.076 1.00 1.78 H new ATOM 0 HG23 VAL A 80 -2.697 -10.747 -4.330 1.00 1.78 H new ATOM 1294 N ASP A 81 -5.721 -9.963 -5.568 1.00 1.08 N ATOM 1295 CA ASP A 81 -6.435 -11.159 -6.013 1.00 1.10 C ATOM 1296 C ASP A 81 -7.968 -11.003 -5.875 1.00 1.18 C ATOM 1297 O ASP A 81 -8.482 -10.947 -4.754 1.00 1.61 O ATOM 1298 CB ASP A 81 -5.934 -12.385 -5.242 1.00 1.27 C ATOM 1299 CG ASP A 81 -6.437 -13.673 -5.892 1.00 1.66 C ATOM 1300 OD1 ASP A 81 -7.665 -13.891 -5.855 1.00 2.28 O ATOM 1301 OD2 ASP A 81 -5.600 -14.457 -6.386 1.00 2.68 O ATOM 0 H ASP A 81 -6.226 -9.421 -4.867 1.00 1.08 H new ATOM 0 HA ASP A 81 -6.227 -11.299 -7.074 1.00 1.10 H new ATOM 0 HB2 ASP A 81 -4.844 -12.385 -5.218 1.00 1.27 H new ATOM 0 HB3 ASP A 81 -6.276 -12.336 -4.208 1.00 1.27 H new ATOM 1306 N PRO A 82 -8.710 -10.951 -6.999 1.00 0.81 N ATOM 1307 CA PRO A 82 -10.162 -10.823 -6.995 1.00 1.00 C ATOM 1308 C PRO A 82 -10.888 -12.173 -6.858 1.00 1.34 C ATOM 1309 O PRO A 82 -12.088 -12.178 -6.601 1.00 1.63 O ATOM 1310 CB PRO A 82 -10.475 -10.147 -8.327 1.00 1.39 C ATOM 1311 CG PRO A 82 -9.426 -10.726 -9.269 1.00 1.39 C ATOM 1312 CD PRO A 82 -8.202 -10.866 -8.365 1.00 1.04 C ATOM 0 HA PRO A 82 -10.511 -10.252 -6.135 1.00 1.00 H new ATOM 0 HB2 PRO A 82 -11.487 -10.372 -8.664 1.00 1.39 H new ATOM 0 HB3 PRO A 82 -10.397 -9.062 -8.256 1.00 1.39 H new ATOM 0 HG2 PRO A 82 -9.737 -11.686 -9.680 1.00 1.39 H new ATOM 0 HG3 PRO A 82 -9.232 -10.065 -10.114 1.00 1.39 H new ATOM 0 HD2 PRO A 82 -7.628 -11.756 -8.623 1.00 1.04 H new ATOM 0 HD3 PRO A 82 -7.534 -10.012 -8.479 1.00 1.04 H new ATOM 1320 N GLU A 83 -10.189 -13.309 -6.996 1.00 1.26 N ATOM 1321 CA GLU A 83 -10.751 -14.667 -6.878 1.00 1.57 C ATOM 1322 C GLU A 83 -10.820 -15.148 -5.414 1.00 1.79 C ATOM 1323 O GLU A 83 -11.367 -16.223 -5.146 1.00 2.30 O ATOM 1324 CB GLU A 83 -9.920 -15.653 -7.727 1.00 1.74 C ATOM 1325 CG GLU A 83 -10.040 -15.395 -9.237 1.00 1.92 C ATOM 1326 CD GLU A 83 -9.073 -16.270 -10.033 1.00 2.23 C ATOM 1327 OE1 GLU A 83 -9.390 -17.444 -10.336 1.00 2.78 O ATOM 1328 OE2 GLU A 83 -7.965 -15.800 -10.373 1.00 2.93 O ATOM 0 H GLU A 83 -9.189 -13.311 -7.198 1.00 1.26 H new ATOM 0 HA GLU A 83 -11.774 -14.633 -7.251 1.00 1.57 H new ATOM 0 HB2 GLU A 83 -8.872 -15.582 -7.434 1.00 1.74 H new ATOM 0 HB3 GLU A 83 -10.243 -16.671 -7.511 1.00 1.74 H new ATOM 0 HG2 GLU A 83 -11.062 -15.593 -9.561 1.00 1.92 H new ATOM 0 HG3 GLU A 83 -9.837 -14.344 -9.445 1.00 1.92 H new ATOM 1335 N ARG A 84 -10.279 -14.366 -4.463 1.00 1.32 N ATOM 1336 CA ARG A 84 -10.251 -14.706 -3.033 1.00 1.40 C ATOM 1337 C ARG A 84 -10.231 -13.513 -2.061 1.00 1.46 C ATOM 1338 O ARG A 84 -10.584 -13.702 -0.898 1.00 1.74 O ATOM 1339 CB ARG A 84 -9.060 -15.650 -2.790 1.00 1.65 C ATOM 1340 CG ARG A 84 -7.715 -14.912 -2.664 1.00 3.45 C ATOM 1341 CD ARG A 84 -6.542 -15.801 -3.074 1.00 4.24 C ATOM 1342 NE ARG A 84 -5.270 -15.215 -2.622 1.00 6.30 N ATOM 1343 CZ ARG A 84 -4.136 -15.165 -3.309 1.00 8.02 C ATOM 1344 NH1 ARG A 84 -4.015 -15.542 -4.553 1.00 8.24 N ATOM 1345 NH2 ARG A 84 -3.046 -14.693 -2.765 1.00 9.87 N ATOM 0 H ARG A 84 -9.843 -13.468 -4.671 1.00 1.32 H new ATOM 0 HA ARG A 84 -11.200 -15.192 -2.807 1.00 1.40 H new ATOM 0 HB2 ARG A 84 -9.239 -16.223 -1.880 1.00 1.65 H new ATOM 0 HB3 ARG A 84 -8.999 -16.365 -3.610 1.00 1.65 H new ATOM 0 HG2 ARG A 84 -7.730 -14.019 -3.288 1.00 3.45 H new ATOM 0 HG3 ARG A 84 -7.577 -14.579 -1.635 1.00 3.45 H new ATOM 0 HD2 ARG A 84 -6.664 -16.795 -2.645 1.00 4.24 H new ATOM 0 HD3 ARG A 84 -6.530 -15.921 -4.157 1.00 4.24 H new ATOM 0 HE ARG A 84 -5.259 -14.807 -1.687 1.00 6.30 H new ATOM 0 HH11 ARG A 84 -4.825 -15.903 -5.058 1.00 8.24 H new ATOM 0 HH12 ARG A 84 -3.111 -15.476 -5.020 1.00 8.24 H new ATOM 0 HH21 ARG A 84 -3.061 -14.358 -1.802 1.00 9.87 H new ATOM 0 HH22 ARG A 84 -2.180 -14.660 -3.303 1.00 9.87 H new ATOM 1359 N ASP A 85 -9.830 -12.305 -2.480 1.00 1.02 N ATOM 1360 CA ASP A 85 -9.533 -11.178 -1.572 1.00 1.10 C ATOM 1361 C ASP A 85 -10.414 -9.932 -1.875 1.00 1.28 C ATOM 1362 O ASP A 85 -9.903 -8.886 -2.288 1.00 1.58 O ATOM 1363 CB ASP A 85 -8.005 -10.910 -1.610 1.00 1.23 C ATOM 1364 CG ASP A 85 -7.403 -10.791 -0.216 1.00 1.49 C ATOM 1365 OD1 ASP A 85 -7.162 -11.834 0.429 1.00 2.52 O ATOM 1366 OD2 ASP A 85 -7.085 -9.663 0.209 1.00 2.23 O ATOM 0 H ASP A 85 -9.700 -12.076 -3.465 1.00 1.02 H new ATOM 0 HA ASP A 85 -9.800 -11.437 -0.547 1.00 1.10 H new ATOM 0 HB2 ASP A 85 -7.510 -11.718 -2.149 1.00 1.23 H new ATOM 0 HB3 ASP A 85 -7.813 -9.992 -2.165 1.00 1.23 H new ATOM 1371 N PRO A 86 -11.754 -10.022 -1.717 1.00 1.02 N ATOM 1372 CA PRO A 86 -12.697 -8.990 -2.154 1.00 1.16 C ATOM 1373 C PRO A 86 -12.625 -7.708 -1.303 1.00 1.22 C ATOM 1374 O PRO A 86 -12.284 -7.784 -0.117 1.00 0.97 O ATOM 1375 CB PRO A 86 -14.083 -9.640 -2.080 1.00 1.12 C ATOM 1376 CG PRO A 86 -13.921 -10.680 -0.975 1.00 0.98 C ATOM 1377 CD PRO A 86 -12.485 -11.154 -1.164 1.00 0.95 C ATOM 0 HA PRO A 86 -12.457 -8.657 -3.164 1.00 1.16 H new ATOM 0 HB2 PRO A 86 -14.857 -8.912 -1.837 1.00 1.12 H new ATOM 0 HB3 PRO A 86 -14.363 -10.100 -3.028 1.00 1.12 H new ATOM 0 HG2 PRO A 86 -14.077 -10.248 0.013 1.00 0.98 H new ATOM 0 HG3 PRO A 86 -14.634 -11.498 -1.082 1.00 0.98 H new ATOM 0 HD2 PRO A 86 -12.052 -11.472 -0.216 1.00 0.95 H new ATOM 0 HD3 PRO A 86 -12.443 -12.011 -1.836 1.00 0.95 H new ATOM 1385 N PRO A 87 -13.001 -6.539 -1.872 1.00 0.91 N ATOM 1386 CA PRO A 87 -12.722 -5.214 -1.309 1.00 0.97 C ATOM 1387 C PRO A 87 -13.155 -5.057 0.146 1.00 1.13 C ATOM 1388 O PRO A 87 -12.405 -4.524 0.951 1.00 1.01 O ATOM 1389 CB PRO A 87 -13.447 -4.202 -2.209 1.00 0.96 C ATOM 1390 CG PRO A 87 -14.397 -5.035 -3.068 1.00 1.03 C ATOM 1391 CD PRO A 87 -13.698 -6.389 -3.143 1.00 1.03 C ATOM 0 HA PRO A 87 -11.644 -5.052 -1.290 1.00 0.97 H new ATOM 0 HB2 PRO A 87 -13.994 -3.469 -1.616 1.00 0.96 H new ATOM 0 HB3 PRO A 87 -12.740 -3.649 -2.827 1.00 0.96 H new ATOM 0 HG2 PRO A 87 -15.385 -5.116 -2.614 1.00 1.03 H new ATOM 0 HG3 PRO A 87 -14.535 -4.597 -4.057 1.00 1.03 H new ATOM 0 HD2 PRO A 87 -14.417 -7.194 -3.293 1.00 1.03 H new ATOM 0 HD3 PRO A 87 -13.000 -6.425 -3.980 1.00 1.03 H new ATOM 1399 N GLU A 88 -14.341 -5.558 0.495 1.00 0.83 N ATOM 1400 CA GLU A 88 -14.933 -5.440 1.829 1.00 0.86 C ATOM 1401 C GLU A 88 -14.141 -6.211 2.902 1.00 1.09 C ATOM 1402 O GLU A 88 -13.945 -5.716 4.010 1.00 1.31 O ATOM 1403 CB GLU A 88 -16.387 -5.915 1.675 1.00 1.11 C ATOM 1404 CG GLU A 88 -17.295 -5.669 2.884 1.00 1.39 C ATOM 1405 CD GLU A 88 -17.333 -6.871 3.828 1.00 2.42 C ATOM 1406 OE1 GLU A 88 -17.507 -8.012 3.337 1.00 2.91 O ATOM 1407 OE2 GLU A 88 -17.167 -6.684 5.052 1.00 3.84 O ATOM 0 H GLU A 88 -14.932 -6.071 -0.159 1.00 0.83 H new ATOM 0 HA GLU A 88 -14.901 -4.413 2.192 1.00 0.86 H new ATOM 0 HB2 GLU A 88 -16.823 -5.418 0.809 1.00 1.11 H new ATOM 0 HB3 GLU A 88 -16.380 -6.983 1.459 1.00 1.11 H new ATOM 0 HG2 GLU A 88 -16.944 -4.792 3.428 1.00 1.39 H new ATOM 0 HG3 GLU A 88 -18.305 -5.447 2.539 1.00 1.39 H new ATOM 1414 N VAL A 89 -13.625 -7.396 2.569 1.00 0.72 N ATOM 1415 CA VAL A 89 -12.820 -8.226 3.480 1.00 0.72 C ATOM 1416 C VAL A 89 -11.424 -7.619 3.670 1.00 1.02 C ATOM 1417 O VAL A 89 -10.925 -7.542 4.794 1.00 0.95 O ATOM 1418 CB VAL A 89 -12.724 -9.677 2.957 1.00 0.76 C ATOM 1419 CG1 VAL A 89 -11.894 -10.580 3.881 1.00 0.93 C ATOM 1420 CG2 VAL A 89 -14.118 -10.312 2.803 1.00 1.03 C ATOM 0 H VAL A 89 -13.754 -7.815 1.648 1.00 0.72 H new ATOM 0 HA VAL A 89 -13.315 -8.250 4.451 1.00 0.72 H new ATOM 0 HB VAL A 89 -12.231 -9.606 1.987 1.00 0.76 H new ATOM 0 HG11 VAL A 89 -11.858 -11.588 3.468 1.00 0.93 H new ATOM 0 HG12 VAL A 89 -10.881 -10.185 3.962 1.00 0.93 H new ATOM 0 HG13 VAL A 89 -12.353 -10.609 4.869 1.00 0.93 H new ATOM 0 HG21 VAL A 89 -14.014 -11.332 2.433 1.00 1.03 H new ATOM 0 HG22 VAL A 89 -14.620 -10.326 3.770 1.00 1.03 H new ATOM 0 HG23 VAL A 89 -14.708 -9.728 2.096 1.00 1.03 H new ATOM 1430 N ALA A 90 -10.815 -7.147 2.574 1.00 0.71 N ATOM 1431 CA ALA A 90 -9.538 -6.434 2.592 1.00 0.73 C ATOM 1432 C ALA A 90 -9.618 -5.122 3.400 1.00 0.94 C ATOM 1433 O ALA A 90 -8.742 -4.841 4.217 1.00 1.04 O ATOM 1434 CB ALA A 90 -9.117 -6.228 1.125 1.00 0.81 C ATOM 0 H ALA A 90 -11.205 -7.253 1.637 1.00 0.71 H new ATOM 0 HA ALA A 90 -8.775 -7.016 3.109 1.00 0.73 H new ATOM 0 HB1 ALA A 90 -8.165 -5.698 1.091 1.00 0.81 H new ATOM 0 HB2 ALA A 90 -9.010 -7.197 0.638 1.00 0.81 H new ATOM 0 HB3 ALA A 90 -9.877 -5.643 0.607 1.00 0.81 H new ATOM 1440 N ASP A 91 -10.695 -4.352 3.232 1.00 0.73 N ATOM 1441 CA ASP A 91 -10.948 -3.069 3.904 1.00 0.83 C ATOM 1442 C ASP A 91 -11.255 -3.210 5.399 1.00 1.16 C ATOM 1443 O ASP A 91 -10.684 -2.479 6.212 1.00 1.28 O ATOM 1444 CB ASP A 91 -12.105 -2.359 3.184 1.00 0.97 C ATOM 1445 CG ASP A 91 -12.420 -0.993 3.790 1.00 1.09 C ATOM 1446 OD1 ASP A 91 -11.483 -0.184 3.986 1.00 2.17 O ATOM 1447 OD2 ASP A 91 -13.594 -0.724 4.125 1.00 1.76 O ATOM 0 H ASP A 91 -11.449 -4.614 2.597 1.00 0.73 H new ATOM 0 HA ASP A 91 -10.033 -2.480 3.846 1.00 0.83 H new ATOM 0 HB2 ASP A 91 -11.853 -2.236 2.131 1.00 0.97 H new ATOM 0 HB3 ASP A 91 -12.995 -2.986 3.227 1.00 0.97 H new ATOM 1452 N ARG A 92 -12.131 -4.147 5.780 1.00 1.09 N ATOM 1453 CA ARG A 92 -12.463 -4.363 7.192 1.00 1.37 C ATOM 1454 C ARG A 92 -11.256 -4.877 7.992 1.00 1.55 C ATOM 1455 O ARG A 92 -11.084 -4.511 9.154 1.00 1.80 O ATOM 1456 CB ARG A 92 -13.713 -5.255 7.299 1.00 1.82 C ATOM 1457 CG ARG A 92 -13.462 -6.766 7.210 1.00 1.13 C ATOM 1458 CD ARG A 92 -14.762 -7.457 6.802 1.00 1.52 C ATOM 1459 NE ARG A 92 -14.656 -8.924 6.851 1.00 2.98 N ATOM 1460 CZ ARG A 92 -15.535 -9.745 6.294 1.00 4.12 C ATOM 1461 NH1 ARG A 92 -16.592 -9.299 5.664 1.00 4.13 N ATOM 1462 NH2 ARG A 92 -15.348 -11.044 6.353 1.00 5.80 N ATOM 0 H ARG A 92 -12.621 -4.765 5.133 1.00 1.09 H new ATOM 0 HA ARG A 92 -12.712 -3.409 7.656 1.00 1.37 H new ATOM 0 HB2 ARG A 92 -14.208 -5.043 8.247 1.00 1.82 H new ATOM 0 HB3 ARG A 92 -14.407 -4.973 6.507 1.00 1.82 H new ATOM 0 HG2 ARG A 92 -12.678 -6.976 6.482 1.00 1.13 H new ATOM 0 HG3 ARG A 92 -13.116 -7.149 8.170 1.00 1.13 H new ATOM 0 HD2 ARG A 92 -15.566 -7.131 7.462 1.00 1.52 H new ATOM 0 HD3 ARG A 92 -15.033 -7.148 5.792 1.00 1.52 H new ATOM 0 HE ARG A 92 -13.861 -9.332 7.342 1.00 2.98 H new ATOM 0 HH11 ARG A 92 -16.757 -8.295 5.592 1.00 4.13 H new ATOM 0 HH12 ARG A 92 -17.251 -9.955 5.245 1.00 4.13 H new ATOM 0 HH21 ARG A 92 -14.527 -11.420 6.827 1.00 5.80 H new ATOM 0 HH22 ARG A 92 -16.024 -11.677 5.925 1.00 5.80 H new ATOM 1476 N TYR A 93 -10.371 -5.662 7.361 1.00 1.15 N ATOM 1477 CA TYR A 93 -9.102 -6.093 7.952 1.00 1.22 C ATOM 1478 C TYR A 93 -8.115 -4.927 8.094 1.00 1.45 C ATOM 1479 O TYR A 93 -7.571 -4.708 9.174 1.00 1.73 O ATOM 1480 CB TYR A 93 -8.490 -7.217 7.105 1.00 1.21 C ATOM 1481 CG TYR A 93 -7.188 -7.744 7.682 1.00 1.54 C ATOM 1482 CD1 TYR A 93 -7.177 -8.293 8.980 1.00 2.82 C ATOM 1483 CD2 TYR A 93 -5.981 -7.612 6.968 1.00 2.02 C ATOM 1484 CE1 TYR A 93 -5.960 -8.677 9.577 1.00 3.23 C ATOM 1485 CE2 TYR A 93 -4.763 -8.005 7.553 1.00 2.41 C ATOM 1486 CZ TYR A 93 -4.753 -8.515 8.870 1.00 2.56 C ATOM 1487 OH TYR A 93 -3.578 -8.805 9.482 1.00 3.25 O ATOM 0 H TYR A 93 -10.520 -6.018 6.417 1.00 1.15 H new ATOM 0 HA TYR A 93 -9.306 -6.467 8.955 1.00 1.22 H new ATOM 0 HB2 TYR A 93 -9.205 -8.036 7.025 1.00 1.21 H new ATOM 0 HB3 TYR A 93 -8.312 -6.849 6.095 1.00 1.21 H new ATOM 0 HD1 TYR A 93 -8.104 -8.420 9.519 1.00 2.82 H new ATOM 0 HD2 TYR A 93 -5.990 -7.207 5.967 1.00 2.02 H new ATOM 0 HE1 TYR A 93 -5.953 -9.094 10.573 1.00 3.23 H new ATOM 0 HE2 TYR A 93 -3.841 -7.917 6.998 1.00 2.41 H new ATOM 0 HH TYR A 93 -2.864 -8.255 9.097 1.00 3.25 H new ATOM 1497 N ALA A 94 -7.933 -4.142 7.028 1.00 0.85 N ATOM 1498 CA ALA A 94 -7.115 -2.926 7.039 1.00 0.79 C ATOM 1499 C ALA A 94 -7.536 -1.941 8.152 1.00 1.07 C ATOM 1500 O ALA A 94 -6.716 -1.539 8.977 1.00 1.08 O ATOM 1501 CB ALA A 94 -7.188 -2.318 5.632 1.00 0.73 C ATOM 0 H ALA A 94 -8.356 -4.336 6.120 1.00 0.85 H new ATOM 0 HA ALA A 94 -6.079 -3.167 7.279 1.00 0.79 H new ATOM 0 HB1 ALA A 94 -6.590 -1.407 5.598 1.00 0.73 H new ATOM 0 HB2 ALA A 94 -6.802 -3.033 4.906 1.00 0.73 H new ATOM 0 HB3 ALA A 94 -8.224 -2.081 5.391 1.00 0.73 H new ATOM 1507 N LYS A 95 -8.826 -1.604 8.258 1.00 1.03 N ATOM 1508 CA LYS A 95 -9.323 -0.708 9.313 1.00 1.20 C ATOM 1509 C LYS A 95 -9.293 -1.291 10.737 1.00 1.36 C ATOM 1510 O LYS A 95 -9.306 -0.512 11.691 1.00 1.54 O ATOM 1511 CB LYS A 95 -10.702 -0.137 8.950 1.00 1.63 C ATOM 1512 CG LYS A 95 -10.549 1.058 7.994 1.00 2.22 C ATOM 1513 CD LYS A 95 -11.799 1.947 7.955 1.00 1.86 C ATOM 1514 CE LYS A 95 -12.998 1.261 7.288 1.00 1.50 C ATOM 1515 NZ LYS A 95 -12.839 1.220 5.821 1.00 1.61 N ATOM 0 H LYS A 95 -9.550 -1.940 7.623 1.00 1.03 H new ATOM 0 HA LYS A 95 -8.605 0.111 9.351 1.00 1.20 H new ATOM 0 HB2 LYS A 95 -11.312 -0.910 8.482 1.00 1.63 H new ATOM 0 HB3 LYS A 95 -11.223 0.176 9.855 1.00 1.63 H new ATOM 0 HG2 LYS A 95 -9.691 1.657 8.301 1.00 2.22 H new ATOM 0 HG3 LYS A 95 -10.338 0.690 6.990 1.00 2.22 H new ATOM 0 HD2 LYS A 95 -12.069 2.231 8.972 1.00 1.86 H new ATOM 0 HD3 LYS A 95 -11.568 2.867 7.418 1.00 1.86 H new ATOM 0 HE2 LYS A 95 -13.102 0.247 7.674 1.00 1.50 H new ATOM 0 HE3 LYS A 95 -13.914 1.794 7.543 1.00 1.50 H new ATOM 0 HZ1 LYS A 95 -13.592 0.635 5.406 1.00 1.61 H new ATOM 0 HZ2 LYS A 95 -12.900 2.185 5.438 1.00 1.61 H new ATOM 0 HZ3 LYS A 95 -11.913 0.811 5.584 1.00 1.61 H new ATOM 1529 N ALA A 96 -9.196 -2.616 10.912 1.00 1.32 N ATOM 1530 CA ALA A 96 -9.084 -3.241 12.237 1.00 1.51 C ATOM 1531 C ALA A 96 -7.785 -2.858 12.967 1.00 1.66 C ATOM 1532 O ALA A 96 -7.765 -2.823 14.194 1.00 1.88 O ATOM 1533 CB ALA A 96 -9.213 -4.759 12.094 1.00 1.56 C ATOM 0 H ALA A 96 -9.193 -3.284 10.141 1.00 1.32 H new ATOM 0 HA ALA A 96 -9.897 -2.863 12.856 1.00 1.51 H new ATOM 0 HB1 ALA A 96 -9.130 -5.225 13.076 1.00 1.56 H new ATOM 0 HB2 ALA A 96 -10.182 -5.002 11.657 1.00 1.56 H new ATOM 0 HB3 ALA A 96 -8.419 -5.132 11.447 1.00 1.56 H new ATOM 1539 N PHE A 97 -6.728 -2.501 12.227 1.00 1.42 N ATOM 1540 CA PHE A 97 -5.531 -1.886 12.791 1.00 1.48 C ATOM 1541 C PHE A 97 -5.747 -0.445 13.255 1.00 2.46 C ATOM 1542 O PHE A 97 -5.280 -0.073 14.333 1.00 2.79 O ATOM 1543 CB PHE A 97 -4.419 -1.941 11.740 1.00 1.53 C ATOM 1544 CG PHE A 97 -3.701 -3.256 11.822 1.00 1.58 C ATOM 1545 CD1 PHE A 97 -2.753 -3.433 12.839 1.00 2.43 C ATOM 1546 CD2 PHE A 97 -4.064 -4.324 10.990 1.00 2.22 C ATOM 1547 CE1 PHE A 97 -2.107 -4.671 12.987 1.00 2.49 C ATOM 1548 CE2 PHE A 97 -3.456 -5.574 11.165 1.00 1.99 C ATOM 1549 CZ PHE A 97 -2.466 -5.746 12.155 1.00 1.67 C ATOM 0 H PHE A 97 -6.684 -2.633 11.217 1.00 1.42 H new ATOM 0 HA PHE A 97 -5.258 -2.449 13.684 1.00 1.48 H new ATOM 0 HB2 PHE A 97 -4.842 -1.809 10.744 1.00 1.53 H new ATOM 0 HB3 PHE A 97 -3.716 -1.123 11.899 1.00 1.53 H new ATOM 0 HD1 PHE A 97 -2.520 -2.618 13.508 1.00 2.43 H new ATOM 0 HD2 PHE A 97 -4.807 -4.184 10.219 1.00 2.22 H new ATOM 0 HE1 PHE A 97 -1.339 -4.797 13.736 1.00 2.49 H new ATOM 0 HE2 PHE A 97 -3.746 -6.407 10.541 1.00 1.99 H new ATOM 0 HZ PHE A 97 -1.983 -6.705 12.274 1.00 1.67 H new ATOM 1559 N HIS A 98 -6.399 0.373 12.431 1.00 1.44 N ATOM 1560 CA HIS A 98 -6.601 1.795 12.633 1.00 1.44 C ATOM 1561 C HIS A 98 -7.535 2.391 11.560 1.00 1.54 C ATOM 1562 O HIS A 98 -7.507 1.901 10.426 1.00 1.49 O ATOM 1563 CB HIS A 98 -5.244 2.514 12.645 1.00 1.49 C ATOM 1564 CG HIS A 98 -4.486 2.718 11.357 1.00 1.72 C ATOM 1565 ND1 HIS A 98 -4.703 2.129 10.130 1.00 2.69 N ATOM 1566 CD2 HIS A 98 -3.389 3.526 11.220 1.00 3.15 C ATOM 1567 CE1 HIS A 98 -3.754 2.563 9.286 1.00 4.31 C ATOM 1568 NE2 HIS A 98 -2.918 3.400 9.915 1.00 4.54 N ATOM 0 H HIS A 98 -6.819 0.039 11.563 1.00 1.44 H new ATOM 0 HA HIS A 98 -7.088 1.942 13.597 1.00 1.44 H new ATOM 0 HB2 HIS A 98 -5.403 3.498 13.087 1.00 1.49 H new ATOM 0 HB3 HIS A 98 -4.591 1.962 13.321 1.00 1.49 H new ATOM 0 HD1 HIS A 98 -5.454 1.477 9.903 1.00 2.69 H new ATOM 0 HD2 HIS A 98 -2.963 4.152 11.990 1.00 3.15 H new ATOM 0 HE1 HIS A 98 -3.675 2.278 8.247 1.00 4.31 H new ATOM 1577 N PRO A 99 -8.282 3.476 11.853 1.00 1.61 N ATOM 1578 CA PRO A 99 -9.186 4.108 10.890 1.00 1.85 C ATOM 1579 C PRO A 99 -8.475 4.892 9.775 1.00 1.98 C ATOM 1580 O PRO A 99 -9.139 5.294 8.825 1.00 2.16 O ATOM 1581 CB PRO A 99 -10.089 5.017 11.730 1.00 2.27 C ATOM 1582 CG PRO A 99 -9.195 5.410 12.902 1.00 2.20 C ATOM 1583 CD PRO A 99 -8.389 4.136 13.149 1.00 1.88 C ATOM 0 HA PRO A 99 -9.743 3.346 10.345 1.00 1.85 H new ATOM 0 HB2 PRO A 99 -10.419 5.889 11.166 1.00 2.27 H new ATOM 0 HB3 PRO A 99 -10.986 4.495 12.065 1.00 2.27 H new ATOM 0 HG2 PRO A 99 -8.552 6.255 12.656 1.00 2.20 H new ATOM 0 HG3 PRO A 99 -9.777 5.697 13.777 1.00 2.20 H new ATOM 0 HD2 PRO A 99 -7.403 4.369 13.552 1.00 1.88 H new ATOM 0 HD3 PRO A 99 -8.886 3.493 13.875 1.00 1.88 H new ATOM 1591 N SER A 100 -7.153 5.103 9.834 1.00 1.58 N ATOM 1592 CA SER A 100 -6.378 5.761 8.764 1.00 1.72 C ATOM 1593 C SER A 100 -6.232 4.906 7.487 1.00 1.53 C ATOM 1594 O SER A 100 -5.650 5.375 6.501 1.00 1.66 O ATOM 1595 CB SER A 100 -4.984 6.180 9.273 1.00 1.94 C ATOM 1596 OG SER A 100 -4.970 6.528 10.652 1.00 2.52 O ATOM 0 H SER A 100 -6.583 4.821 10.631 1.00 1.58 H new ATOM 0 HA SER A 100 -6.953 6.645 8.487 1.00 1.72 H new ATOM 0 HB2 SER A 100 -4.283 5.363 9.104 1.00 1.94 H new ATOM 0 HB3 SER A 100 -4.631 7.029 8.688 1.00 1.94 H new ATOM 0 HG SER A 100 -4.337 7.261 10.798 1.00 2.52 H new ATOM 1602 N PHE A 101 -6.770 3.672 7.492 1.00 1.20 N ATOM 1603 CA PHE A 101 -6.773 2.747 6.357 1.00 1.01 C ATOM 1604 C PHE A 101 -8.056 2.806 5.504 1.00 2.05 C ATOM 1605 O PHE A 101 -9.170 2.938 6.007 1.00 2.54 O ATOM 1606 CB PHE A 101 -6.582 1.299 6.851 1.00 1.01 C ATOM 1607 CG PHE A 101 -5.277 0.641 6.441 1.00 1.56 C ATOM 1608 CD1 PHE A 101 -4.873 0.631 5.093 1.00 3.34 C ATOM 1609 CD2 PHE A 101 -4.494 -0.028 7.399 1.00 1.91 C ATOM 1610 CE1 PHE A 101 -3.664 0.018 4.723 1.00 4.20 C ATOM 1611 CE2 PHE A 101 -3.288 -0.649 7.030 1.00 2.31 C ATOM 1612 CZ PHE A 101 -2.868 -0.613 5.691 1.00 3.35 C ATOM 0 H PHE A 101 -7.228 3.284 8.317 1.00 1.20 H new ATOM 0 HA PHE A 101 -5.945 3.062 5.722 1.00 1.01 H new ATOM 0 HB2 PHE A 101 -6.647 1.292 7.939 1.00 1.01 H new ATOM 0 HB3 PHE A 101 -7.408 0.693 6.478 1.00 1.01 H new ATOM 0 HD1 PHE A 101 -5.494 1.096 4.341 1.00 3.34 H new ATOM 0 HD2 PHE A 101 -4.822 -0.065 8.427 1.00 1.91 H new ATOM 0 HE1 PHE A 101 -3.347 0.033 3.691 1.00 4.20 H new ATOM 0 HE2 PHE A 101 -2.687 -1.152 7.773 1.00 2.31 H new ATOM 0 HZ PHE A 101 -1.932 -1.071 5.406 1.00 3.35 H new ATOM 1622 N LEU A 102 -7.876 2.560 4.202 1.00 1.06 N ATOM 1623 CA LEU A 102 -8.917 2.151 3.252 1.00 0.99 C ATOM 1624 C LEU A 102 -8.446 0.926 2.450 1.00 1.14 C ATOM 1625 O LEU A 102 -7.303 0.899 1.997 1.00 1.38 O ATOM 1626 CB LEU A 102 -9.215 3.350 2.331 1.00 1.03 C ATOM 1627 CG LEU A 102 -10.291 3.113 1.249 1.00 1.07 C ATOM 1628 CD1 LEU A 102 -11.671 2.812 1.853 1.00 1.26 C ATOM 1629 CD2 LEU A 102 -10.385 4.362 0.361 1.00 2.29 C ATOM 0 H LEU A 102 -6.960 2.644 3.762 1.00 1.06 H new ATOM 0 HA LEU A 102 -9.829 1.862 3.775 1.00 0.99 H new ATOM 0 HB2 LEU A 102 -9.528 4.191 2.950 1.00 1.03 H new ATOM 0 HB3 LEU A 102 -8.289 3.644 1.838 1.00 1.03 H new ATOM 0 HG LEU A 102 -9.994 2.241 0.666 1.00 1.07 H new ATOM 0 HD11 LEU A 102 -12.392 2.653 1.051 1.00 1.26 H new ATOM 0 HD12 LEU A 102 -11.610 1.915 2.470 1.00 1.26 H new ATOM 0 HD13 LEU A 102 -11.991 3.654 2.467 1.00 1.26 H new ATOM 0 HD21 LEU A 102 -11.142 4.206 -0.407 1.00 2.29 H new ATOM 0 HD22 LEU A 102 -10.659 5.223 0.971 1.00 2.29 H new ATOM 0 HD23 LEU A 102 -9.420 4.545 -0.112 1.00 2.29 H new ATOM 1641 N GLY A 103 -9.319 -0.061 2.255 1.00 0.93 N ATOM 1642 CA GLY A 103 -9.109 -1.217 1.381 1.00 0.93 C ATOM 1643 C GLY A 103 -9.826 -1.061 0.041 1.00 1.05 C ATOM 1644 O GLY A 103 -10.998 -0.671 0.008 1.00 1.21 O ATOM 0 H GLY A 103 -10.227 -0.079 2.719 1.00 0.93 H new ATOM 0 HA2 GLY A 103 -8.041 -1.350 1.207 1.00 0.93 H new ATOM 0 HA3 GLY A 103 -9.466 -2.118 1.880 1.00 0.93 H new ATOM 1648 N LEU A 104 -9.129 -1.392 -1.051 1.00 0.91 N ATOM 1649 CA LEU A 104 -9.598 -1.294 -2.435 1.00 0.93 C ATOM 1650 C LEU A 104 -9.297 -2.596 -3.205 1.00 1.25 C ATOM 1651 O LEU A 104 -8.157 -3.053 -3.278 1.00 1.52 O ATOM 1652 CB LEU A 104 -8.926 -0.086 -3.122 1.00 0.99 C ATOM 1653 CG LEU A 104 -9.234 1.303 -2.523 1.00 1.15 C ATOM 1654 CD1 LEU A 104 -8.409 2.370 -3.259 1.00 1.23 C ATOM 1655 CD2 LEU A 104 -10.720 1.677 -2.629 1.00 1.51 C ATOM 0 H LEU A 104 -8.177 -1.753 -0.990 1.00 0.91 H new ATOM 0 HA LEU A 104 -10.678 -1.148 -2.436 1.00 0.93 H new ATOM 0 HB2 LEU A 104 -7.847 -0.236 -3.099 1.00 0.99 H new ATOM 0 HB3 LEU A 104 -9.224 -0.080 -4.170 1.00 0.99 H new ATOM 0 HG LEU A 104 -8.973 1.260 -1.466 1.00 1.15 H new ATOM 0 HD11 LEU A 104 -8.625 3.352 -2.838 1.00 1.23 H new ATOM 0 HD12 LEU A 104 -7.347 2.152 -3.145 1.00 1.23 H new ATOM 0 HD13 LEU A 104 -8.669 2.365 -4.318 1.00 1.23 H new ATOM 0 HD21 LEU A 104 -10.879 2.663 -2.192 1.00 1.51 H new ATOM 0 HD22 LEU A 104 -11.017 1.692 -3.678 1.00 1.51 H new ATOM 0 HD23 LEU A 104 -11.319 0.942 -2.092 1.00 1.51 H new ATOM 1667 N SER A 105 -10.325 -3.228 -3.760 1.00 0.87 N ATOM 1668 CA SER A 105 -10.229 -4.309 -4.751 1.00 0.91 C ATOM 1669 C SER A 105 -11.485 -4.304 -5.639 1.00 0.97 C ATOM 1670 O SER A 105 -12.383 -3.500 -5.403 1.00 1.42 O ATOM 1671 CB SER A 105 -9.992 -5.654 -4.062 1.00 1.14 C ATOM 1672 OG SER A 105 -9.616 -6.648 -4.999 1.00 1.39 O ATOM 0 H SER A 105 -11.290 -2.996 -3.526 1.00 0.87 H new ATOM 0 HA SER A 105 -9.368 -4.143 -5.399 1.00 0.91 H new ATOM 0 HB2 SER A 105 -9.212 -5.547 -3.308 1.00 1.14 H new ATOM 0 HB3 SER A 105 -10.898 -5.964 -3.542 1.00 1.14 H new ATOM 0 HG SER A 105 -8.856 -7.157 -4.648 1.00 1.39 H new ATOM 1678 N GLY A 106 -11.606 -5.214 -6.603 1.00 0.60 N ATOM 1679 CA GLY A 106 -12.744 -5.253 -7.524 1.00 0.76 C ATOM 1680 C GLY A 106 -12.533 -6.224 -8.671 1.00 0.89 C ATOM 1681 O GLY A 106 -12.121 -7.364 -8.473 1.00 1.15 O ATOM 0 H GLY A 106 -10.917 -5.948 -6.769 1.00 0.60 H new ATOM 0 HA2 GLY A 106 -13.642 -5.535 -6.974 1.00 0.76 H new ATOM 0 HA3 GLY A 106 -12.916 -4.254 -7.925 1.00 0.76 H new ATOM 1685 N SER A 107 -12.822 -5.779 -9.889 1.00 0.80 N ATOM 1686 CA SER A 107 -12.596 -6.565 -11.104 1.00 0.99 C ATOM 1687 C SER A 107 -11.097 -6.690 -11.469 1.00 1.07 C ATOM 1688 O SER A 107 -10.306 -5.781 -11.172 1.00 1.03 O ATOM 1689 CB SER A 107 -13.415 -5.963 -12.255 1.00 1.27 C ATOM 1690 OG SER A 107 -12.857 -4.756 -12.736 1.00 1.55 O ATOM 0 H SER A 107 -13.222 -4.858 -10.066 1.00 0.80 H new ATOM 0 HA SER A 107 -12.934 -7.584 -10.917 1.00 0.99 H new ATOM 0 HB2 SER A 107 -13.475 -6.683 -13.071 1.00 1.27 H new ATOM 0 HB3 SER A 107 -14.434 -5.780 -11.916 1.00 1.27 H new ATOM 0 HG SER A 107 -13.110 -4.630 -13.674 1.00 1.55 H new ATOM 1696 N PRO A 108 -10.668 -7.791 -12.126 1.00 0.95 N ATOM 1697 CA PRO A 108 -9.264 -8.014 -12.474 1.00 0.99 C ATOM 1698 C PRO A 108 -8.681 -6.933 -13.393 1.00 1.15 C ATOM 1699 O PRO A 108 -7.498 -6.634 -13.264 1.00 1.00 O ATOM 1700 CB PRO A 108 -9.189 -9.409 -13.108 1.00 1.24 C ATOM 1701 CG PRO A 108 -10.625 -9.719 -13.521 1.00 1.27 C ATOM 1702 CD PRO A 108 -11.465 -8.949 -12.508 1.00 1.16 C ATOM 0 HA PRO A 108 -8.649 -7.953 -11.576 1.00 0.99 H new ATOM 0 HB2 PRO A 108 -8.518 -9.419 -13.967 1.00 1.24 H new ATOM 0 HB3 PRO A 108 -8.812 -10.147 -12.400 1.00 1.24 H new ATOM 0 HG2 PRO A 108 -10.828 -9.392 -14.541 1.00 1.27 H new ATOM 0 HG3 PRO A 108 -10.831 -10.789 -13.482 1.00 1.27 H new ATOM 0 HD2 PRO A 108 -12.416 -8.642 -12.942 1.00 1.16 H new ATOM 0 HD3 PRO A 108 -11.695 -9.568 -11.641 1.00 1.16 H new ATOM 1710 N GLU A 109 -9.474 -6.314 -14.275 1.00 0.83 N ATOM 1711 CA GLU A 109 -9.059 -5.135 -15.052 1.00 0.82 C ATOM 1712 C GLU A 109 -8.746 -3.955 -14.123 1.00 1.04 C ATOM 1713 O GLU A 109 -7.654 -3.401 -14.216 1.00 1.25 O ATOM 1714 CB GLU A 109 -10.067 -4.664 -16.131 1.00 0.95 C ATOM 1715 CG GLU A 109 -11.071 -5.684 -16.676 1.00 1.27 C ATOM 1716 CD GLU A 109 -12.116 -5.990 -15.613 1.00 2.43 C ATOM 1717 OE1 GLU A 109 -12.911 -5.088 -15.274 1.00 3.49 O ATOM 1718 OE2 GLU A 109 -12.008 -7.073 -15.001 1.00 3.15 O ATOM 0 H GLU A 109 -10.428 -6.617 -14.473 1.00 0.83 H new ATOM 0 HA GLU A 109 -8.169 -5.467 -15.586 1.00 0.82 H new ATOM 0 HB2 GLU A 109 -10.632 -3.829 -15.717 1.00 0.95 H new ATOM 0 HB3 GLU A 109 -9.495 -4.276 -16.974 1.00 0.95 H new ATOM 0 HG2 GLU A 109 -11.553 -5.292 -17.572 1.00 1.27 H new ATOM 0 HG3 GLU A 109 -10.554 -6.599 -16.966 1.00 1.27 H new ATOM 1725 N ALA A 110 -9.656 -3.598 -13.207 1.00 0.73 N ATOM 1726 CA ALA A 110 -9.463 -2.476 -12.283 1.00 0.71 C ATOM 1727 C ALA A 110 -8.292 -2.724 -11.319 1.00 0.83 C ATOM 1728 O ALA A 110 -7.426 -1.862 -11.160 1.00 0.88 O ATOM 1729 CB ALA A 110 -10.785 -2.232 -11.543 1.00 0.77 C ATOM 0 H ALA A 110 -10.547 -4.080 -13.087 1.00 0.73 H new ATOM 0 HA ALA A 110 -9.193 -1.580 -12.842 1.00 0.71 H new ATOM 0 HB1 ALA A 110 -10.665 -1.400 -10.849 1.00 0.77 H new ATOM 0 HB2 ALA A 110 -11.567 -1.993 -12.264 1.00 0.77 H new ATOM 0 HB3 ALA A 110 -11.063 -3.129 -10.990 1.00 0.77 H new ATOM 1735 N VAL A 111 -8.207 -3.926 -10.737 1.00 0.69 N ATOM 1736 CA VAL A 111 -7.041 -4.340 -9.929 1.00 0.71 C ATOM 1737 C VAL A 111 -5.736 -4.225 -10.746 1.00 1.06 C ATOM 1738 O VAL A 111 -4.711 -3.784 -10.216 1.00 0.98 O ATOM 1739 CB VAL A 111 -7.240 -5.766 -9.358 1.00 0.69 C ATOM 1740 CG1 VAL A 111 -5.962 -6.345 -8.724 1.00 1.04 C ATOM 1741 CG2 VAL A 111 -8.363 -5.783 -8.305 1.00 1.17 C ATOM 0 H VAL A 111 -8.934 -4.637 -10.808 1.00 0.69 H new ATOM 0 HA VAL A 111 -6.954 -3.661 -9.081 1.00 0.71 H new ATOM 0 HB VAL A 111 -7.508 -6.391 -10.210 1.00 0.69 H new ATOM 0 HG11 VAL A 111 -6.166 -7.345 -8.342 1.00 1.04 H new ATOM 0 HG12 VAL A 111 -5.174 -6.397 -9.476 1.00 1.04 H new ATOM 0 HG13 VAL A 111 -5.639 -5.703 -7.904 1.00 1.04 H new ATOM 0 HG21 VAL A 111 -8.484 -6.795 -7.919 1.00 1.17 H new ATOM 0 HG22 VAL A 111 -8.105 -5.111 -7.487 1.00 1.17 H new ATOM 0 HG23 VAL A 111 -9.296 -5.455 -8.763 1.00 1.17 H new ATOM 1751 N ARG A 112 -5.759 -4.582 -12.041 1.00 0.71 N ATOM 1752 CA ARG A 112 -4.608 -4.449 -12.940 1.00 0.76 C ATOM 1753 C ARG A 112 -4.277 -3.010 -13.378 1.00 1.05 C ATOM 1754 O ARG A 112 -3.082 -2.731 -13.509 1.00 1.18 O ATOM 1755 CB ARG A 112 -4.770 -5.401 -14.126 1.00 0.86 C ATOM 1756 CG ARG A 112 -3.431 -5.618 -14.842 1.00 1.53 C ATOM 1757 CD ARG A 112 -3.464 -6.876 -15.702 1.00 2.02 C ATOM 1758 NE ARG A 112 -4.320 -6.698 -16.885 1.00 2.67 N ATOM 1759 CZ ARG A 112 -4.538 -7.586 -17.848 1.00 3.77 C ATOM 1760 NH1 ARG A 112 -3.973 -8.779 -17.856 1.00 4.37 N ATOM 1761 NH2 ARG A 112 -5.344 -7.267 -18.832 1.00 4.92 N ATOM 0 H ARG A 112 -6.585 -4.974 -12.494 1.00 0.71 H new ATOM 0 HA ARG A 112 -3.731 -4.736 -12.360 1.00 0.76 H new ATOM 0 HB2 ARG A 112 -5.160 -6.358 -13.779 1.00 0.86 H new ATOM 0 HB3 ARG A 112 -5.500 -4.995 -14.826 1.00 0.86 H new ATOM 0 HG2 ARG A 112 -3.205 -4.753 -15.466 1.00 1.53 H new ATOM 0 HG3 ARG A 112 -2.631 -5.698 -14.106 1.00 1.53 H new ATOM 0 HD2 ARG A 112 -2.452 -7.128 -16.019 1.00 2.02 H new ATOM 0 HD3 ARG A 112 -3.831 -7.714 -15.109 1.00 2.02 H new ATOM 0 HE ARG A 112 -4.795 -5.800 -16.975 1.00 2.67 H new ATOM 0 HH11 ARG A 112 -3.341 -9.049 -17.102 1.00 4.37 H new ATOM 0 HH12 ARG A 112 -4.168 -9.431 -18.616 1.00 4.37 H new ATOM 0 HH21 ARG A 112 -5.791 -6.350 -18.848 1.00 4.92 H new ATOM 0 HH22 ARG A 112 -5.524 -7.936 -19.581 1.00 4.92 H new ATOM 1775 N GLU A 113 -5.261 -2.118 -13.545 1.00 0.74 N ATOM 1776 CA GLU A 113 -5.036 -0.676 -13.765 1.00 0.88 C ATOM 1777 C GLU A 113 -4.151 -0.112 -12.641 1.00 1.15 C ATOM 1778 O GLU A 113 -3.096 0.473 -12.893 1.00 1.24 O ATOM 1779 CB GLU A 113 -6.359 0.096 -13.838 1.00 1.07 C ATOM 1780 CG GLU A 113 -7.086 -0.159 -15.164 1.00 1.33 C ATOM 1781 CD GLU A 113 -6.969 1.021 -16.130 1.00 2.33 C ATOM 1782 OE1 GLU A 113 -7.800 1.952 -16.019 1.00 3.72 O ATOM 1783 OE2 GLU A 113 -6.035 0.970 -16.959 1.00 2.60 O ATOM 0 H GLU A 113 -6.248 -2.375 -13.532 1.00 0.74 H new ATOM 0 HA GLU A 113 -4.530 -0.553 -14.723 1.00 0.88 H new ATOM 0 HB2 GLU A 113 -7.000 -0.200 -13.008 1.00 1.07 H new ATOM 0 HB3 GLU A 113 -6.165 1.163 -13.727 1.00 1.07 H new ATOM 0 HG2 GLU A 113 -6.675 -1.052 -15.635 1.00 1.33 H new ATOM 0 HG3 GLU A 113 -8.139 -0.359 -14.965 1.00 1.33 H new ATOM 1790 N ALA A 114 -4.525 -0.394 -11.385 1.00 0.78 N ATOM 1791 CA ALA A 114 -3.753 0.006 -10.211 1.00 0.79 C ATOM 1792 C ALA A 114 -2.365 -0.656 -10.170 1.00 0.92 C ATOM 1793 O ALA A 114 -1.348 0.032 -10.061 1.00 1.00 O ATOM 1794 CB ALA A 114 -4.590 -0.312 -8.967 1.00 0.81 C ATOM 0 H ALA A 114 -5.376 -0.909 -11.159 1.00 0.78 H new ATOM 0 HA ALA A 114 -3.551 1.076 -10.252 1.00 0.79 H new ATOM 0 HB1 ALA A 114 -4.037 -0.023 -8.073 1.00 0.81 H new ATOM 0 HB2 ALA A 114 -5.528 0.242 -9.008 1.00 0.81 H new ATOM 0 HB3 ALA A 114 -4.801 -1.381 -8.934 1.00 0.81 H new ATOM 1800 N ALA A 115 -2.298 -1.989 -10.267 1.00 0.77 N ATOM 1801 CA ALA A 115 -1.057 -2.751 -10.136 1.00 0.84 C ATOM 1802 C ALA A 115 0.015 -2.338 -11.151 1.00 0.98 C ATOM 1803 O ALA A 115 1.151 -2.041 -10.777 1.00 1.10 O ATOM 1804 CB ALA A 115 -1.399 -4.237 -10.276 1.00 0.85 C ATOM 0 H ALA A 115 -3.116 -2.573 -10.441 1.00 0.77 H new ATOM 0 HA ALA A 115 -0.624 -2.542 -9.158 1.00 0.84 H new ATOM 0 HB1 ALA A 115 -0.489 -4.830 -10.182 1.00 0.85 H new ATOM 0 HB2 ALA A 115 -2.102 -4.524 -9.494 1.00 0.85 H new ATOM 0 HB3 ALA A 115 -1.850 -4.416 -11.252 1.00 0.85 H new ATOM 1810 N GLN A 116 -0.337 -2.302 -12.438 1.00 0.79 N ATOM 1811 CA GLN A 116 0.632 -2.059 -13.507 1.00 0.87 C ATOM 1812 C GLN A 116 1.152 -0.621 -13.481 1.00 1.17 C ATOM 1813 O GLN A 116 2.325 -0.416 -13.783 1.00 1.29 O ATOM 1814 CB GLN A 116 0.018 -2.420 -14.869 1.00 1.02 C ATOM 1815 CG GLN A 116 -0.292 -3.923 -15.026 1.00 1.71 C ATOM 1816 CD GLN A 116 0.912 -4.789 -15.399 1.00 2.72 C ATOM 1817 OE1 GLN A 116 0.983 -5.349 -16.478 1.00 2.38 O ATOM 1818 NE2 GLN A 116 1.895 -4.975 -14.542 1.00 4.51 N ATOM 0 H GLN A 116 -1.293 -2.439 -12.766 1.00 0.79 H new ATOM 0 HA GLN A 116 1.495 -2.704 -13.341 1.00 0.87 H new ATOM 0 HB2 GLN A 116 -0.902 -1.851 -15.006 1.00 1.02 H new ATOM 0 HB3 GLN A 116 0.703 -2.114 -15.660 1.00 1.02 H new ATOM 0 HG2 GLN A 116 -0.712 -4.293 -14.091 1.00 1.71 H new ATOM 0 HG3 GLN A 116 -1.060 -4.044 -15.790 1.00 1.71 H new ATOM 0 HE21 GLN A 116 1.868 -4.521 -13.629 1.00 4.51 H new ATOM 0 HE22 GLN A 116 2.683 -5.573 -14.792 1.00 4.51 H new ATOM 1827 N THR A 117 0.338 0.340 -13.032 1.00 0.72 N ATOM 1828 CA THR A 117 0.730 1.750 -12.885 1.00 0.75 C ATOM 1829 C THR A 117 1.861 1.923 -11.873 1.00 1.01 C ATOM 1830 O THR A 117 2.778 2.713 -12.099 1.00 0.97 O ATOM 1831 CB THR A 117 -0.520 2.561 -12.519 1.00 0.84 C ATOM 1832 OG1 THR A 117 -1.390 2.462 -13.618 1.00 1.17 O ATOM 1833 CG2 THR A 117 -0.224 4.041 -12.284 1.00 1.00 C ATOM 0 H THR A 117 -0.627 0.160 -12.756 1.00 0.72 H new ATOM 0 HA THR A 117 1.131 2.123 -13.828 1.00 0.75 H new ATOM 0 HB THR A 117 -0.936 2.166 -11.592 1.00 0.84 H new ATOM 0 HG1 THR A 117 -2.142 1.877 -13.388 1.00 1.17 H new ATOM 0 HG21 THR A 117 -1.148 4.561 -12.029 1.00 1.00 H new ATOM 0 HG22 THR A 117 0.488 4.144 -11.465 1.00 1.00 H new ATOM 0 HG23 THR A 117 0.199 4.476 -13.190 1.00 1.00 H new ATOM 1841 N PHE A 118 1.798 1.202 -10.756 1.00 0.73 N ATOM 1842 CA PHE A 118 2.858 1.098 -9.750 1.00 0.78 C ATOM 1843 C PHE A 118 4.038 0.182 -10.127 1.00 1.73 C ATOM 1844 O PHE A 118 5.105 0.298 -9.528 1.00 2.08 O ATOM 1845 CB PHE A 118 2.194 0.754 -8.412 1.00 0.82 C ATOM 1846 CG PHE A 118 1.573 2.004 -7.825 1.00 0.90 C ATOM 1847 CD1 PHE A 118 0.340 2.498 -8.292 1.00 1.97 C ATOM 1848 CD2 PHE A 118 2.325 2.772 -6.924 1.00 2.02 C ATOM 1849 CE1 PHE A 118 -0.117 3.758 -7.877 1.00 1.98 C ATOM 1850 CE2 PHE A 118 1.850 4.010 -6.466 1.00 2.01 C ATOM 1851 CZ PHE A 118 0.635 4.510 -6.960 1.00 1.21 C ATOM 0 H PHE A 118 0.974 0.651 -10.515 1.00 0.73 H new ATOM 0 HA PHE A 118 3.362 2.062 -9.675 1.00 0.78 H new ATOM 0 HB2 PHE A 118 1.431 -0.011 -8.558 1.00 0.82 H new ATOM 0 HB3 PHE A 118 2.931 0.342 -7.723 1.00 0.82 H new ATOM 0 HD1 PHE A 118 -0.255 1.906 -8.971 1.00 1.97 H new ATOM 0 HD2 PHE A 118 3.281 2.406 -6.579 1.00 2.02 H new ATOM 0 HE1 PHE A 118 -1.047 4.149 -8.263 1.00 1.98 H new ATOM 0 HE2 PHE A 118 2.415 4.574 -5.739 1.00 2.01 H new ATOM 0 HZ PHE A 118 0.278 5.476 -6.634 1.00 1.21 H new ATOM 1861 N GLY A 119 3.863 -0.721 -11.103 1.00 0.74 N ATOM 1862 CA GLY A 119 4.851 -1.738 -11.513 1.00 0.75 C ATOM 1863 C GLY A 119 4.629 -3.130 -10.907 1.00 0.82 C ATOM 1864 O GLY A 119 5.471 -4.008 -11.068 1.00 0.96 O ATOM 0 H GLY A 119 3.002 -0.768 -11.649 1.00 0.74 H new ATOM 0 HA2 GLY A 119 4.835 -1.823 -12.600 1.00 0.75 H new ATOM 0 HA3 GLY A 119 5.846 -1.391 -11.235 1.00 0.75 H new ATOM 1868 N VAL A 120 3.501 -3.345 -10.232 1.00 0.67 N ATOM 1869 CA VAL A 120 3.090 -4.617 -9.610 1.00 0.65 C ATOM 1870 C VAL A 120 2.507 -5.573 -10.655 1.00 0.89 C ATOM 1871 O VAL A 120 1.890 -5.149 -11.638 1.00 1.04 O ATOM 1872 CB VAL A 120 2.081 -4.364 -8.459 1.00 0.72 C ATOM 1873 CG1 VAL A 120 1.477 -5.638 -7.837 1.00 0.90 C ATOM 1874 CG2 VAL A 120 2.763 -3.557 -7.353 1.00 1.19 C ATOM 0 H VAL A 120 2.811 -2.606 -10.093 1.00 0.67 H new ATOM 0 HA VAL A 120 3.975 -5.090 -9.184 1.00 0.65 H new ATOM 0 HB VAL A 120 1.252 -3.820 -8.912 1.00 0.72 H new ATOM 0 HG11 VAL A 120 0.784 -5.362 -7.042 1.00 0.90 H new ATOM 0 HG12 VAL A 120 0.944 -6.200 -8.604 1.00 0.90 H new ATOM 0 HG13 VAL A 120 2.275 -6.255 -7.424 1.00 0.90 H new ATOM 0 HG21 VAL A 120 2.055 -3.378 -6.544 1.00 1.19 H new ATOM 0 HG22 VAL A 120 3.618 -4.114 -6.971 1.00 1.19 H new ATOM 0 HG23 VAL A 120 3.102 -2.602 -7.755 1.00 1.19 H new ATOM 1884 N PHE A 121 2.683 -6.876 -10.415 1.00 0.99 N ATOM 1885 CA PHE A 121 2.187 -7.985 -11.228 1.00 1.17 C ATOM 1886 C PHE A 121 1.865 -9.212 -10.359 1.00 1.90 C ATOM 1887 O PHE A 121 2.275 -9.301 -9.199 1.00 1.97 O ATOM 1888 CB PHE A 121 3.223 -8.305 -12.324 1.00 1.36 C ATOM 1889 CG PHE A 121 4.637 -8.557 -11.815 1.00 1.29 C ATOM 1890 CD1 PHE A 121 5.040 -9.853 -11.439 1.00 2.50 C ATOM 1891 CD2 PHE A 121 5.549 -7.486 -11.715 1.00 2.00 C ATOM 1892 CE1 PHE A 121 6.349 -10.077 -10.976 1.00 2.32 C ATOM 1893 CE2 PHE A 121 6.854 -7.711 -11.239 1.00 1.98 C ATOM 1894 CZ PHE A 121 7.256 -9.007 -10.878 1.00 1.45 C ATOM 0 H PHE A 121 3.205 -7.201 -9.601 1.00 0.99 H new ATOM 0 HA PHE A 121 1.251 -7.697 -11.707 1.00 1.17 H new ATOM 0 HB2 PHE A 121 2.888 -9.184 -12.875 1.00 1.36 H new ATOM 0 HB3 PHE A 121 3.249 -7.477 -13.032 1.00 1.36 H new ATOM 0 HD1 PHE A 121 4.343 -10.675 -11.506 1.00 2.50 H new ATOM 0 HD2 PHE A 121 5.245 -6.491 -12.004 1.00 2.00 H new ATOM 0 HE1 PHE A 121 6.658 -11.073 -10.695 1.00 2.32 H new ATOM 0 HE2 PHE A 121 7.546 -6.887 -11.151 1.00 1.98 H new ATOM 0 HZ PHE A 121 8.262 -9.182 -10.525 1.00 1.45 H new ATOM 1904 N TYR A 122 1.105 -10.149 -10.926 1.00 0.89 N ATOM 1905 CA TYR A 122 0.741 -11.429 -10.309 1.00 0.81 C ATOM 1906 C TYR A 122 0.773 -12.568 -11.343 1.00 1.14 C ATOM 1907 O TYR A 122 0.612 -12.329 -12.543 1.00 1.27 O ATOM 1908 CB TYR A 122 -0.630 -11.308 -9.611 1.00 1.05 C ATOM 1909 CG TYR A 122 -1.758 -10.690 -10.428 1.00 1.14 C ATOM 1910 CD1 TYR A 122 -2.313 -11.376 -11.527 1.00 2.54 C ATOM 1911 CD2 TYR A 122 -2.269 -9.421 -10.077 1.00 1.59 C ATOM 1912 CE1 TYR A 122 -3.340 -10.789 -12.290 1.00 2.64 C ATOM 1913 CE2 TYR A 122 -3.308 -8.834 -10.829 1.00 1.68 C ATOM 1914 CZ TYR A 122 -3.842 -9.514 -11.948 1.00 1.52 C ATOM 1915 OH TYR A 122 -4.834 -8.952 -12.694 1.00 1.85 O ATOM 0 H TYR A 122 0.711 -10.036 -11.860 1.00 0.89 H new ATOM 0 HA TYR A 122 1.479 -11.680 -9.547 1.00 0.81 H new ATOM 0 HB2 TYR A 122 -0.942 -12.304 -9.298 1.00 1.05 H new ATOM 0 HB3 TYR A 122 -0.500 -10.715 -8.706 1.00 1.05 H new ATOM 0 HD1 TYR A 122 -1.948 -12.359 -11.786 1.00 2.54 H new ATOM 0 HD2 TYR A 122 -1.861 -8.896 -9.226 1.00 1.59 H new ATOM 0 HE1 TYR A 122 -3.746 -11.316 -13.141 1.00 2.64 H new ATOM 0 HE2 TYR A 122 -3.696 -7.865 -10.550 1.00 1.68 H new ATOM 0 HH TYR A 122 -5.065 -8.075 -12.323 1.00 1.85 H new ATOM 1925 N GLN A 123 0.984 -13.805 -10.892 1.00 0.81 N ATOM 1926 CA GLN A 123 1.009 -15.009 -11.730 1.00 1.02 C ATOM 1927 C GLN A 123 0.396 -16.197 -10.973 1.00 1.25 C ATOM 1928 O GLN A 123 0.375 -16.179 -9.747 1.00 1.41 O ATOM 1929 CB GLN A 123 2.448 -15.292 -12.197 1.00 1.21 C ATOM 1930 CG GLN A 123 3.450 -15.562 -11.056 1.00 3.01 C ATOM 1931 CD GLN A 123 4.886 -15.748 -11.546 1.00 3.56 C ATOM 1932 OE1 GLN A 123 5.155 -15.986 -12.715 1.00 3.63 O ATOM 1933 NE2 GLN A 123 5.871 -15.647 -10.683 1.00 4.40 N ATOM 0 H GLN A 123 1.147 -14.005 -9.905 1.00 0.81 H new ATOM 0 HA GLN A 123 0.401 -14.849 -12.621 1.00 1.02 H new ATOM 0 HB2 GLN A 123 2.437 -16.153 -12.865 1.00 1.21 H new ATOM 0 HB3 GLN A 123 2.801 -14.441 -12.780 1.00 1.21 H new ATOM 0 HG2 GLN A 123 3.419 -14.732 -10.350 1.00 3.01 H new ATOM 0 HG3 GLN A 123 3.140 -16.455 -10.513 1.00 3.01 H new ATOM 0 HE21 GLN A 123 5.672 -15.449 -9.702 1.00 4.40 H new ATOM 0 HE22 GLN A 123 6.835 -15.767 -10.993 1.00 4.40 H new ATOM 1942 N LYS A 124 -0.062 -17.249 -11.668 1.00 1.38 N ATOM 1943 CA LYS A 124 -0.480 -18.499 -11.009 1.00 1.50 C ATOM 1944 C LYS A 124 -0.072 -19.774 -11.749 1.00 1.73 C ATOM 1945 O LYS A 124 0.078 -19.796 -12.968 1.00 2.11 O ATOM 1946 CB LYS A 124 -1.962 -18.481 -10.596 1.00 1.58 C ATOM 1947 CG LYS A 124 -3.076 -18.419 -11.652 1.00 1.94 C ATOM 1948 CD LYS A 124 -4.401 -18.296 -10.870 1.00 2.09 C ATOM 1949 CE LYS A 124 -5.683 -18.377 -11.703 1.00 2.82 C ATOM 1950 NZ LYS A 124 -6.861 -18.195 -10.823 1.00 3.19 N ATOM 0 H LYS A 124 -0.153 -17.261 -12.684 1.00 1.38 H new ATOM 0 HA LYS A 124 0.096 -18.536 -10.084 1.00 1.50 H new ATOM 0 HB2 LYS A 124 -2.138 -19.375 -9.998 1.00 1.58 H new ATOM 0 HB3 LYS A 124 -2.099 -17.624 -9.936 1.00 1.58 H new ATOM 0 HG2 LYS A 124 -2.935 -17.567 -12.317 1.00 1.94 H new ATOM 0 HG3 LYS A 124 -3.073 -19.313 -12.275 1.00 1.94 H new ATOM 0 HD2 LYS A 124 -4.430 -19.084 -10.118 1.00 2.09 H new ATOM 0 HD3 LYS A 124 -4.398 -17.346 -10.336 1.00 2.09 H new ATOM 0 HE2 LYS A 124 -5.674 -17.611 -12.478 1.00 2.82 H new ATOM 0 HE3 LYS A 124 -5.740 -19.341 -12.208 1.00 2.82 H new ATOM 0 HZ1 LYS A 124 -7.731 -18.351 -11.371 1.00 3.19 H new ATOM 0 HZ2 LYS A 124 -6.818 -18.878 -10.040 1.00 3.19 H new ATOM 0 HZ3 LYS A 124 -6.862 -17.228 -10.440 1.00 3.19 H new ATOM 1964 N SER A 125 0.142 -20.841 -10.984 1.00 1.60 N ATOM 1965 CA SER A 125 0.730 -22.107 -11.427 1.00 1.87 C ATOM 1966 C SER A 125 0.051 -23.309 -10.743 1.00 1.95 C ATOM 1967 O SER A 125 -0.852 -23.140 -9.919 1.00 2.19 O ATOM 1968 CB SER A 125 2.243 -22.076 -11.144 1.00 2.28 C ATOM 1969 OG SER A 125 2.905 -23.144 -11.801 1.00 3.50 O ATOM 0 H SER A 125 -0.100 -20.850 -9.993 1.00 1.60 H new ATOM 0 HA SER A 125 0.568 -22.227 -12.498 1.00 1.87 H new ATOM 0 HB2 SER A 125 2.659 -21.125 -11.477 1.00 2.28 H new ATOM 0 HB3 SER A 125 2.417 -22.141 -10.070 1.00 2.28 H new ATOM 0 HG SER A 125 3.264 -23.766 -11.134 1.00 3.50 H new ATOM 1975 N GLN A 126 0.489 -24.531 -11.072 1.00 2.27 N ATOM 1976 CA GLN A 126 0.091 -25.788 -10.421 1.00 2.42 C ATOM 1977 C GLN A 126 -1.406 -26.129 -10.567 1.00 2.70 C ATOM 1978 O GLN A 126 -1.934 -26.940 -9.808 1.00 3.22 O ATOM 1979 CB GLN A 126 0.623 -25.811 -8.966 1.00 2.43 C ATOM 1980 CG GLN A 126 1.918 -26.628 -8.816 1.00 3.13 C ATOM 1981 CD GLN A 126 3.052 -26.233 -9.765 1.00 3.85 C ATOM 1982 OE1 GLN A 126 3.276 -25.076 -10.082 1.00 4.35 O ATOM 1983 NE2 GLN A 126 3.795 -27.181 -10.294 1.00 4.99 N ATOM 0 H GLN A 126 1.157 -24.678 -11.829 1.00 2.27 H new ATOM 0 HA GLN A 126 0.565 -26.611 -10.955 1.00 2.42 H new ATOM 0 HB2 GLN A 126 0.804 -24.789 -8.634 1.00 2.43 H new ATOM 0 HB3 GLN A 126 -0.142 -26.228 -8.311 1.00 2.43 H new ATOM 0 HG2 GLN A 126 2.274 -26.530 -7.790 1.00 3.13 H new ATOM 0 HG3 GLN A 126 1.684 -27.681 -8.973 1.00 3.13 H new ATOM 0 HE21 GLN A 126 3.629 -28.157 -10.047 1.00 4.99 H new ATOM 0 HE22 GLN A 126 4.537 -26.940 -10.952 1.00 4.99 H new ATOM 1992 N TYR A 127 -2.084 -25.552 -11.565 1.00 2.43 N ATOM 1993 CA TYR A 127 -3.480 -25.851 -11.875 1.00 2.78 C ATOM 1994 C TYR A 127 -3.722 -27.350 -12.152 1.00 3.56 C ATOM 1995 O TYR A 127 -3.069 -27.939 -13.019 1.00 4.54 O ATOM 1996 CB TYR A 127 -3.942 -24.975 -13.047 1.00 2.91 C ATOM 1997 CG TYR A 127 -5.389 -25.209 -13.427 1.00 3.27 C ATOM 1998 CD1 TYR A 127 -6.410 -24.886 -12.511 1.00 4.05 C ATOM 1999 CD2 TYR A 127 -5.719 -25.798 -14.662 1.00 4.12 C ATOM 2000 CE1 TYR A 127 -7.753 -25.160 -12.821 1.00 5.41 C ATOM 2001 CE2 TYR A 127 -7.062 -26.075 -14.978 1.00 5.21 C ATOM 2002 CZ TYR A 127 -8.083 -25.768 -14.052 1.00 5.81 C ATOM 2003 OH TYR A 127 -9.376 -26.085 -14.334 1.00 7.35 O ATOM 0 H TYR A 127 -1.671 -24.856 -12.186 1.00 2.43 H new ATOM 0 HA TYR A 127 -4.079 -25.616 -10.995 1.00 2.78 H new ATOM 0 HB2 TYR A 127 -3.806 -23.926 -12.785 1.00 2.91 H new ATOM 0 HB3 TYR A 127 -3.309 -25.172 -13.912 1.00 2.91 H new ATOM 0 HD1 TYR A 127 -6.159 -24.426 -11.567 1.00 4.05 H new ATOM 0 HD2 TYR A 127 -4.939 -26.038 -15.369 1.00 4.12 H new ATOM 0 HE1 TYR A 127 -8.532 -24.906 -12.118 1.00 5.41 H new ATOM 0 HE2 TYR A 127 -7.312 -26.522 -15.929 1.00 5.21 H new ATOM 0 HH TYR A 127 -9.786 -26.511 -13.553 1.00 7.35 H new ATOM 2013 N ARG A 128 -4.668 -27.955 -11.418 1.00 3.38 N ATOM 2014 CA ARG A 128 -4.883 -29.412 -11.411 1.00 4.12 C ATOM 2015 C ARG A 128 -6.350 -29.869 -11.546 1.00 4.12 C ATOM 2016 O ARG A 128 -6.589 -30.982 -12.017 1.00 4.80 O ATOM 2017 CB ARG A 128 -4.245 -29.981 -10.145 1.00 4.77 C ATOM 2018 CG ARG A 128 -3.867 -31.455 -10.373 1.00 5.99 C ATOM 2019 CD ARG A 128 -4.370 -32.342 -9.248 1.00 6.67 C ATOM 2020 NE ARG A 128 -5.838 -32.339 -9.123 1.00 6.80 N ATOM 2021 CZ ARG A 128 -6.730 -33.027 -9.825 1.00 7.56 C ATOM 2022 NH1 ARG A 128 -6.393 -33.891 -10.758 1.00 8.18 N ATOM 2023 NH2 ARG A 128 -7.998 -32.802 -9.575 1.00 8.23 N ATOM 0 H ARG A 128 -5.309 -27.446 -10.809 1.00 3.38 H new ATOM 0 HA ARG A 128 -4.409 -29.804 -12.311 1.00 4.12 H new ATOM 0 HB2 ARG A 128 -3.358 -29.404 -9.882 1.00 4.77 H new ATOM 0 HB3 ARG A 128 -4.938 -29.898 -9.308 1.00 4.77 H new ATOM 0 HG2 ARG A 128 -4.285 -31.796 -11.320 1.00 5.99 H new ATOM 0 HG3 ARG A 128 -2.784 -31.545 -10.452 1.00 5.99 H new ATOM 0 HD2 ARG A 128 -4.028 -33.363 -9.417 1.00 6.67 H new ATOM 0 HD3 ARG A 128 -3.930 -32.010 -8.307 1.00 6.67 H new ATOM 0 HE ARG A 128 -6.219 -31.727 -8.401 1.00 6.80 H new ATOM 0 HH11 ARG A 128 -5.409 -34.056 -10.969 1.00 8.18 H new ATOM 0 HH12 ARG A 128 -7.116 -34.396 -11.271 1.00 8.18 H new ATOM 0 HH21 ARG A 128 -8.265 -32.120 -8.865 1.00 8.23 H new ATOM 0 HH22 ARG A 128 -8.717 -33.309 -10.091 1.00 8.23 H new ATOM 2037 N GLY A 129 -7.332 -29.063 -11.133 1.00 3.74 N ATOM 2038 CA GLY A 129 -8.737 -29.493 -11.056 1.00 4.34 C ATOM 2039 C GLY A 129 -9.734 -28.335 -10.956 1.00 4.16 C ATOM 2040 O GLY A 129 -9.465 -27.280 -11.525 1.00 4.26 O ATOM 0 H GLY A 129 -7.180 -28.097 -10.843 1.00 3.74 H new ATOM 0 HA2 GLY A 129 -8.974 -30.089 -11.938 1.00 4.34 H new ATOM 0 HA3 GLY A 129 -8.861 -30.143 -10.190 1.00 4.34 H new ATOM 2044 N PRO A 130 -10.904 -28.512 -10.310 1.00 4.57 N ATOM 2045 CA PRO A 130 -11.913 -27.461 -10.215 1.00 4.91 C ATOM 2046 C PRO A 130 -11.480 -26.261 -9.356 1.00 4.30 C ATOM 2047 O PRO A 130 -11.988 -25.168 -9.589 1.00 5.02 O ATOM 2048 CB PRO A 130 -13.162 -28.144 -9.643 1.00 5.66 C ATOM 2049 CG PRO A 130 -12.599 -29.326 -8.858 1.00 5.54 C ATOM 2050 CD PRO A 130 -11.394 -29.742 -9.699 1.00 5.20 C ATOM 0 HA PRO A 130 -12.093 -27.025 -11.198 1.00 4.91 H new ATOM 0 HB2 PRO A 130 -13.729 -27.470 -9.001 1.00 5.66 H new ATOM 0 HB3 PRO A 130 -13.836 -28.473 -10.434 1.00 5.66 H new ATOM 0 HG2 PRO A 130 -12.308 -29.040 -7.847 1.00 5.54 H new ATOM 0 HG3 PRO A 130 -13.326 -30.133 -8.764 1.00 5.54 H new ATOM 0 HD2 PRO A 130 -10.626 -30.207 -9.081 1.00 5.20 H new ATOM 0 HD3 PRO A 130 -11.678 -30.471 -10.458 1.00 5.20 H new ATOM 2058 N GLY A 131 -10.567 -26.438 -8.388 1.00 3.73 N ATOM 2059 CA GLY A 131 -10.126 -25.344 -7.504 1.00 3.51 C ATOM 2060 C GLY A 131 -8.638 -25.317 -7.150 1.00 3.21 C ATOM 2061 O GLY A 131 -8.191 -24.357 -6.529 1.00 3.57 O ATOM 0 H GLY A 131 -10.117 -27.333 -8.196 1.00 3.73 H new ATOM 0 HA2 GLY A 131 -10.382 -24.397 -7.978 1.00 3.51 H new ATOM 0 HA3 GLY A 131 -10.697 -25.401 -6.577 1.00 3.51 H new ATOM 2065 N GLU A 132 -7.878 -26.351 -7.504 1.00 3.00 N ATOM 2066 CA GLU A 132 -6.485 -26.504 -7.089 1.00 3.13 C ATOM 2067 C GLU A 132 -5.544 -25.731 -8.018 1.00 2.93 C ATOM 2068 O GLU A 132 -5.488 -26.012 -9.216 1.00 3.32 O ATOM 2069 CB GLU A 132 -6.063 -27.983 -7.034 1.00 3.91 C ATOM 2070 CG GLU A 132 -7.089 -28.938 -6.409 1.00 4.61 C ATOM 2071 CD GLU A 132 -7.989 -29.535 -7.490 1.00 6.14 C ATOM 2072 OE1 GLU A 132 -8.930 -28.848 -7.945 1.00 6.57 O ATOM 2073 OE2 GLU A 132 -7.693 -30.669 -7.927 1.00 7.46 O ATOM 0 H GLU A 132 -8.215 -27.113 -8.092 1.00 3.00 H new ATOM 0 HA GLU A 132 -6.409 -26.090 -6.083 1.00 3.13 H new ATOM 0 HB2 GLU A 132 -5.849 -28.320 -8.048 1.00 3.91 H new ATOM 0 HB3 GLU A 132 -5.133 -28.057 -6.471 1.00 3.91 H new ATOM 0 HG2 GLU A 132 -6.574 -29.736 -5.874 1.00 4.61 H new ATOM 0 HG3 GLU A 132 -7.695 -28.403 -5.677 1.00 4.61 H new ATOM 2080 N TYR A 133 -4.781 -24.806 -7.425 1.00 2.41 N ATOM 2081 CA TYR A 133 -3.720 -23.976 -8.012 1.00 2.10 C ATOM 2082 C TYR A 133 -3.021 -23.135 -6.921 1.00 2.05 C ATOM 2083 O TYR A 133 -3.529 -23.002 -5.806 1.00 2.17 O ATOM 2084 CB TYR A 133 -4.257 -23.087 -9.150 1.00 1.96 C ATOM 2085 CG TYR A 133 -5.369 -22.121 -8.783 1.00 1.89 C ATOM 2086 CD1 TYR A 133 -5.059 -20.886 -8.182 1.00 2.27 C ATOM 2087 CD2 TYR A 133 -6.709 -22.423 -9.099 1.00 2.91 C ATOM 2088 CE1 TYR A 133 -6.075 -19.953 -7.908 1.00 2.58 C ATOM 2089 CE2 TYR A 133 -7.730 -21.489 -8.837 1.00 3.13 C ATOM 2090 CZ TYR A 133 -7.412 -20.249 -8.243 1.00 2.51 C ATOM 2091 OH TYR A 133 -8.365 -19.303 -8.028 1.00 3.05 O ATOM 0 H TYR A 133 -4.900 -24.600 -6.433 1.00 2.41 H new ATOM 0 HA TYR A 133 -2.979 -24.643 -8.452 1.00 2.10 H new ATOM 0 HB2 TYR A 133 -3.425 -22.512 -9.556 1.00 1.96 H new ATOM 0 HB3 TYR A 133 -4.617 -23.735 -9.949 1.00 1.96 H new ATOM 0 HD1 TYR A 133 -4.035 -20.654 -7.930 1.00 2.27 H new ATOM 0 HD2 TYR A 133 -6.954 -23.376 -9.544 1.00 2.91 H new ATOM 0 HE1 TYR A 133 -5.831 -19.010 -7.441 1.00 2.58 H new ATOM 0 HE2 TYR A 133 -8.754 -21.721 -9.090 1.00 3.13 H new ATOM 0 HH TYR A 133 -8.560 -18.838 -8.869 1.00 3.05 H new ATOM 2101 N LEU A 134 -1.855 -22.555 -7.234 1.00 1.74 N ATOM 2102 CA LEU A 134 -1.116 -21.642 -6.350 1.00 1.70 C ATOM 2103 C LEU A 134 -0.815 -20.332 -7.090 1.00 1.65 C ATOM 2104 O LEU A 134 -0.608 -20.352 -8.303 1.00 1.74 O ATOM 2105 CB LEU A 134 0.185 -22.292 -5.834 1.00 1.91 C ATOM 2106 CG LEU A 134 -0.024 -23.450 -4.828 1.00 2.55 C ATOM 2107 CD1 LEU A 134 -0.139 -24.823 -5.510 1.00 3.78 C ATOM 2108 CD2 LEU A 134 1.156 -23.503 -3.844 1.00 3.03 C ATOM 0 H LEU A 134 -1.389 -22.710 -8.128 1.00 1.74 H new ATOM 0 HA LEU A 134 -1.738 -21.424 -5.482 1.00 1.70 H new ATOM 0 HB2 LEU A 134 0.750 -22.668 -6.687 1.00 1.91 H new ATOM 0 HB3 LEU A 134 0.796 -21.523 -5.360 1.00 1.91 H new ATOM 0 HG LEU A 134 -0.963 -23.246 -4.314 1.00 2.55 H new ATOM 0 HD11 LEU A 134 -0.284 -25.594 -4.753 1.00 3.78 H new ATOM 0 HD12 LEU A 134 -0.989 -24.820 -6.193 1.00 3.78 H new ATOM 0 HD13 LEU A 134 0.774 -25.030 -6.068 1.00 3.78 H new ATOM 0 HD21 LEU A 134 1.005 -24.319 -3.138 1.00 3.03 H new ATOM 0 HD22 LEU A 134 2.082 -23.667 -4.395 1.00 3.03 H new ATOM 0 HD23 LEU A 134 1.219 -22.560 -3.300 1.00 3.03 H new ATOM 2120 N VAL A 135 -0.791 -19.208 -6.372 1.00 1.50 N ATOM 2121 CA VAL A 135 -0.714 -17.845 -6.932 1.00 1.30 C ATOM 2122 C VAL A 135 0.414 -17.074 -6.238 1.00 1.43 C ATOM 2123 O VAL A 135 0.636 -17.267 -5.041 1.00 1.49 O ATOM 2124 CB VAL A 135 -2.036 -17.059 -6.743 1.00 1.52 C ATOM 2125 CG1 VAL A 135 -2.122 -15.787 -7.607 1.00 2.40 C ATOM 2126 CG2 VAL A 135 -3.291 -17.902 -7.025 1.00 3.05 C ATOM 0 H VAL A 135 -0.825 -19.214 -5.353 1.00 1.50 H new ATOM 0 HA VAL A 135 -0.524 -17.942 -8.001 1.00 1.30 H new ATOM 0 HB VAL A 135 -2.013 -16.780 -5.690 1.00 1.52 H new ATOM 0 HG11 VAL A 135 -3.073 -15.287 -7.424 1.00 2.40 H new ATOM 0 HG12 VAL A 135 -1.303 -15.116 -7.349 1.00 2.40 H new ATOM 0 HG13 VAL A 135 -2.051 -16.057 -8.661 1.00 2.40 H new ATOM 0 HG21 VAL A 135 -4.181 -17.291 -6.874 1.00 3.05 H new ATOM 0 HG22 VAL A 135 -3.266 -18.259 -8.055 1.00 3.05 H new ATOM 0 HG23 VAL A 135 -3.317 -18.755 -6.346 1.00 3.05 H new ATOM 2136 N ASP A 136 1.099 -16.215 -6.990 1.00 0.92 N ATOM 2137 CA ASP A 136 2.247 -15.402 -6.578 1.00 1.01 C ATOM 2138 C ASP A 136 2.057 -13.925 -6.990 1.00 1.04 C ATOM 2139 O ASP A 136 1.511 -13.615 -8.050 1.00 1.19 O ATOM 2140 CB ASP A 136 3.506 -16.014 -7.202 1.00 1.47 C ATOM 2141 CG ASP A 136 4.743 -15.141 -7.010 1.00 2.96 C ATOM 2142 OD1 ASP A 136 4.903 -14.604 -5.890 1.00 4.08 O ATOM 2143 OD2 ASP A 136 5.493 -15.001 -8.005 1.00 3.81 O ATOM 0 H ASP A 136 0.853 -16.056 -7.967 1.00 0.92 H new ATOM 0 HA ASP A 136 2.343 -15.404 -5.492 1.00 1.01 H new ATOM 0 HB2 ASP A 136 3.686 -16.994 -6.760 1.00 1.47 H new ATOM 0 HB3 ASP A 136 3.339 -16.171 -8.268 1.00 1.47 H new ATOM 2148 N HIS A 137 2.471 -12.997 -6.125 1.00 0.73 N ATOM 2149 CA HIS A 137 2.209 -11.563 -6.264 1.00 0.75 C ATOM 2150 C HIS A 137 3.391 -10.724 -5.750 1.00 1.06 C ATOM 2151 O HIS A 137 3.943 -11.025 -4.687 1.00 1.22 O ATOM 2152 CB HIS A 137 0.926 -11.180 -5.492 1.00 0.95 C ATOM 2153 CG HIS A 137 -0.246 -12.138 -5.587 1.00 2.34 C ATOM 2154 ND1 HIS A 137 -1.410 -11.971 -6.309 1.00 4.30 N ATOM 2155 CD2 HIS A 137 -0.404 -13.281 -4.849 1.00 2.76 C ATOM 2156 CE1 HIS A 137 -2.235 -12.984 -6.010 1.00 5.48 C ATOM 2157 NE2 HIS A 137 -1.671 -13.814 -5.115 1.00 4.50 N ATOM 0 H HIS A 137 3.010 -13.227 -5.290 1.00 0.73 H new ATOM 0 HA HIS A 137 2.075 -11.351 -7.325 1.00 0.75 H new ATOM 0 HB2 HIS A 137 1.185 -11.065 -4.440 1.00 0.95 H new ATOM 0 HB3 HIS A 137 0.595 -10.204 -5.847 1.00 0.95 H new ATOM 0 HD1 HIS A 137 -1.608 -11.209 -6.958 1.00 4.30 H new ATOM 0 HD2 HIS A 137 0.327 -13.701 -4.174 1.00 2.76 H new ATOM 0 HE1 HIS A 137 -3.221 -13.116 -6.431 1.00 5.48 H new ATOM 2166 N THR A 138 3.717 -9.616 -6.435 1.00 0.70 N ATOM 2167 CA THR A 138 4.756 -8.657 -6.014 1.00 0.74 C ATOM 2168 C THR A 138 4.314 -7.902 -4.757 1.00 1.20 C ATOM 2169 O THR A 138 3.710 -6.831 -4.831 1.00 2.00 O ATOM 2170 CB THR A 138 5.135 -7.728 -7.177 1.00 0.78 C ATOM 2171 OG1 THR A 138 5.593 -8.554 -8.222 1.00 1.51 O ATOM 2172 CG2 THR A 138 6.251 -6.742 -6.830 1.00 0.95 C ATOM 0 H THR A 138 3.261 -9.356 -7.309 1.00 0.70 H new ATOM 0 HA THR A 138 5.662 -9.201 -5.745 1.00 0.74 H new ATOM 0 HB THR A 138 4.259 -7.136 -7.440 1.00 0.78 H new ATOM 0 HG1 THR A 138 6.038 -8.006 -8.901 1.00 1.51 H new ATOM 0 HG21 THR A 138 6.467 -6.118 -7.697 1.00 0.95 H new ATOM 0 HG22 THR A 138 5.934 -6.112 -5.999 1.00 0.95 H new ATOM 0 HG23 THR A 138 7.148 -7.293 -6.547 1.00 0.95 H new ATOM 2180 N ALA A 139 4.606 -8.483 -3.592 1.00 0.62 N ATOM 2181 CA ALA A 139 4.354 -7.902 -2.270 1.00 0.67 C ATOM 2182 C ALA A 139 5.272 -6.690 -2.008 1.00 0.77 C ATOM 2183 O ALA A 139 6.406 -6.824 -1.543 1.00 1.26 O ATOM 2184 CB ALA A 139 4.508 -9.002 -1.204 1.00 0.92 C ATOM 0 H ALA A 139 5.040 -9.404 -3.540 1.00 0.62 H new ATOM 0 HA ALA A 139 3.334 -7.519 -2.223 1.00 0.67 H new ATOM 0 HB1 ALA A 139 4.322 -8.580 -0.216 1.00 0.92 H new ATOM 0 HB2 ALA A 139 3.791 -9.800 -1.398 1.00 0.92 H new ATOM 0 HB3 ALA A 139 5.520 -9.406 -1.242 1.00 0.92 H new ATOM 2190 N THR A 140 4.811 -5.489 -2.378 1.00 0.64 N ATOM 2191 CA THR A 140 5.594 -4.241 -2.288 1.00 0.61 C ATOM 2192 C THR A 140 4.716 -3.077 -1.830 1.00 0.77 C ATOM 2193 O THR A 140 3.496 -3.089 -2.008 1.00 1.08 O ATOM 2194 CB THR A 140 6.295 -3.968 -3.631 1.00 0.62 C ATOM 2195 OG1 THR A 140 7.149 -5.059 -3.888 1.00 0.99 O ATOM 2196 CG2 THR A 140 7.177 -2.718 -3.663 1.00 0.67 C ATOM 0 H THR A 140 3.873 -5.350 -2.753 1.00 0.64 H new ATOM 0 HA THR A 140 6.370 -4.353 -1.531 1.00 0.61 H new ATOM 0 HB THR A 140 5.500 -3.821 -4.362 1.00 0.62 H new ATOM 0 HG1 THR A 140 7.612 -4.918 -4.740 1.00 0.99 H new ATOM 0 HG21 THR A 140 7.625 -2.614 -4.651 1.00 0.67 H new ATOM 0 HG22 THR A 140 6.570 -1.839 -3.446 1.00 0.67 H new ATOM 0 HG23 THR A 140 7.965 -2.809 -2.915 1.00 0.67 H new ATOM 2204 N THR A 141 5.371 -2.097 -1.201 1.00 0.55 N ATOM 2205 CA THR A 141 4.804 -0.833 -0.722 1.00 0.54 C ATOM 2206 C THR A 141 5.364 0.315 -1.549 1.00 0.84 C ATOM 2207 O THR A 141 6.553 0.345 -1.872 1.00 0.89 O ATOM 2208 CB THR A 141 5.125 -0.571 0.756 1.00 0.64 C ATOM 2209 OG1 THR A 141 5.015 -1.752 1.507 1.00 1.05 O ATOM 2210 CG2 THR A 141 4.196 0.473 1.382 1.00 1.14 C ATOM 0 H THR A 141 6.369 -2.169 -1.001 1.00 0.55 H new ATOM 0 HA THR A 141 3.721 -0.904 -0.826 1.00 0.54 H new ATOM 0 HB THR A 141 6.147 -0.194 0.778 1.00 0.64 H new ATOM 0 HG1 THR A 141 5.225 -1.564 2.446 1.00 1.05 H new ATOM 0 HG21 THR A 141 4.466 0.620 2.428 1.00 1.14 H new ATOM 0 HG22 THR A 141 4.295 1.416 0.845 1.00 1.14 H new ATOM 0 HG23 THR A 141 3.165 0.126 1.319 1.00 1.14 H new ATOM 2218 N PHE A 142 4.516 1.292 -1.848 1.00 0.55 N ATOM 2219 CA PHE A 142 4.844 2.443 -2.676 1.00 0.55 C ATOM 2220 C PHE A 142 4.455 3.726 -1.949 1.00 1.81 C ATOM 2221 O PHE A 142 3.319 3.862 -1.487 1.00 2.15 O ATOM 2222 CB PHE A 142 4.089 2.318 -4.002 1.00 0.59 C ATOM 2223 CG PHE A 142 4.368 1.014 -4.723 1.00 0.70 C ATOM 2224 CD1 PHE A 142 3.592 -0.126 -4.441 1.00 1.73 C ATOM 2225 CD2 PHE A 142 5.417 0.928 -5.653 1.00 1.91 C ATOM 2226 CE1 PHE A 142 3.884 -1.346 -5.068 1.00 1.78 C ATOM 2227 CE2 PHE A 142 5.697 -0.288 -6.295 1.00 1.67 C ATOM 2228 CZ PHE A 142 4.942 -1.431 -5.991 1.00 0.78 C ATOM 0 H PHE A 142 3.554 1.304 -1.510 1.00 0.55 H new ATOM 0 HA PHE A 142 5.915 2.477 -2.874 1.00 0.55 H new ATOM 0 HB2 PHE A 142 3.019 2.400 -3.813 1.00 0.59 H new ATOM 0 HB3 PHE A 142 4.363 3.151 -4.650 1.00 0.59 H new ATOM 0 HD1 PHE A 142 2.772 -0.061 -3.742 1.00 1.73 H new ATOM 0 HD2 PHE A 142 6.011 1.802 -5.875 1.00 1.91 H new ATOM 0 HE1 PHE A 142 3.295 -2.222 -4.842 1.00 1.78 H new ATOM 0 HE2 PHE A 142 6.493 -0.344 -7.023 1.00 1.67 H new ATOM 0 HZ PHE A 142 5.173 -2.374 -6.465 1.00 0.78 H new ATOM 2238 N VAL A 143 5.390 4.673 -1.852 1.00 0.53 N ATOM 2239 CA VAL A 143 5.136 5.955 -1.185 1.00 0.51 C ATOM 2240 C VAL A 143 4.890 7.018 -2.241 1.00 0.76 C ATOM 2241 O VAL A 143 5.790 7.369 -3.010 1.00 0.97 O ATOM 2242 CB VAL A 143 6.274 6.373 -0.235 1.00 0.55 C ATOM 2243 CG1 VAL A 143 5.997 7.735 0.421 1.00 0.68 C ATOM 2244 CG2 VAL A 143 6.436 5.326 0.871 1.00 0.91 C ATOM 0 H VAL A 143 6.333 4.577 -2.228 1.00 0.53 H new ATOM 0 HA VAL A 143 4.253 5.840 -0.557 1.00 0.51 H new ATOM 0 HB VAL A 143 7.184 6.450 -0.830 1.00 0.55 H new ATOM 0 HG11 VAL A 143 6.823 7.994 1.084 1.00 0.68 H new ATOM 0 HG12 VAL A 143 5.898 8.498 -0.352 1.00 0.68 H new ATOM 0 HG13 VAL A 143 5.073 7.680 0.997 1.00 0.68 H new ATOM 0 HG21 VAL A 143 7.242 5.626 1.541 1.00 0.91 H new ATOM 0 HG22 VAL A 143 5.507 5.246 1.435 1.00 0.91 H new ATOM 0 HG23 VAL A 143 6.675 4.360 0.426 1.00 0.91 H new ATOM 2254 N VAL A 144 3.662 7.538 -2.244 1.00 0.45 N ATOM 2255 CA VAL A 144 3.285 8.709 -3.044 1.00 0.53 C ATOM 2256 C VAL A 144 3.027 9.928 -2.162 1.00 0.98 C ATOM 2257 O VAL A 144 2.492 9.809 -1.056 1.00 0.98 O ATOM 2258 CB VAL A 144 2.087 8.490 -4.001 1.00 0.70 C ATOM 2259 CG1 VAL A 144 2.180 7.170 -4.772 1.00 1.93 C ATOM 2260 CG2 VAL A 144 0.710 8.572 -3.328 1.00 2.35 C ATOM 0 H VAL A 144 2.895 7.158 -1.689 1.00 0.45 H new ATOM 0 HA VAL A 144 4.151 8.887 -3.682 1.00 0.53 H new ATOM 0 HB VAL A 144 2.166 9.327 -4.695 1.00 0.70 H new ATOM 0 HG11 VAL A 144 1.315 7.069 -5.427 1.00 1.93 H new ATOM 0 HG12 VAL A 144 3.091 7.162 -5.371 1.00 1.93 H new ATOM 0 HG13 VAL A 144 2.201 6.338 -4.068 1.00 1.93 H new ATOM 0 HG21 VAL A 144 -0.069 8.407 -4.072 1.00 2.35 H new ATOM 0 HG22 VAL A 144 0.638 7.810 -2.552 1.00 2.35 H new ATOM 0 HG23 VAL A 144 0.582 9.558 -2.881 1.00 2.35 H new ATOM 2270 N LYS A 145 3.349 11.094 -2.717 1.00 0.60 N ATOM 2271 CA LYS A 145 2.950 12.414 -2.234 1.00 0.68 C ATOM 2272 C LYS A 145 2.627 13.316 -3.441 1.00 0.90 C ATOM 2273 O LYS A 145 3.222 13.131 -4.495 1.00 1.14 O ATOM 2274 CB LYS A 145 4.072 12.959 -1.334 1.00 0.84 C ATOM 2275 CG LYS A 145 3.783 14.398 -0.904 1.00 1.05 C ATOM 2276 CD LYS A 145 4.756 14.885 0.162 1.00 1.40 C ATOM 2277 CE LYS A 145 4.447 16.350 0.486 1.00 1.54 C ATOM 2278 NZ LYS A 145 5.477 17.248 -0.075 1.00 2.08 N ATOM 0 H LYS A 145 3.924 11.147 -3.558 1.00 0.60 H new ATOM 0 HA LYS A 145 2.044 12.373 -1.630 1.00 0.68 H new ATOM 0 HB2 LYS A 145 4.175 12.326 -0.452 1.00 0.84 H new ATOM 0 HB3 LYS A 145 5.022 12.919 -1.867 1.00 0.84 H new ATOM 0 HG2 LYS A 145 3.840 15.054 -1.773 1.00 1.05 H new ATOM 0 HG3 LYS A 145 2.764 14.464 -0.521 1.00 1.05 H new ATOM 0 HD2 LYS A 145 4.667 14.274 1.060 1.00 1.40 H new ATOM 0 HD3 LYS A 145 5.782 14.786 -0.191 1.00 1.40 H new ATOM 0 HE2 LYS A 145 3.470 16.616 0.083 1.00 1.54 H new ATOM 0 HE3 LYS A 145 4.394 16.483 1.567 1.00 1.54 H new ATOM 0 HZ1 LYS A 145 5.153 18.234 -0.006 1.00 2.08 H new ATOM 0 HZ2 LYS A 145 6.363 17.136 0.458 1.00 2.08 H new ATOM 0 HZ3 LYS A 145 5.641 17.007 -1.073 1.00 2.08 H new ATOM 2292 N GLU A 146 1.656 14.230 -3.348 1.00 0.84 N ATOM 2293 CA GLU A 146 1.289 15.145 -4.455 1.00 0.94 C ATOM 2294 C GLU A 146 0.766 14.367 -5.691 1.00 1.23 C ATOM 2295 O GLU A 146 0.994 14.765 -6.833 1.00 1.57 O ATOM 2296 CB GLU A 146 2.466 16.066 -4.876 1.00 1.04 C ATOM 2297 CG GLU A 146 3.059 16.962 -3.777 1.00 1.65 C ATOM 2298 CD GLU A 146 4.593 17.020 -3.836 1.00 2.17 C ATOM 2299 OE1 GLU A 146 5.166 16.975 -4.951 1.00 2.41 O ATOM 2300 OE2 GLU A 146 5.217 17.117 -2.757 1.00 3.06 O ATOM 0 H GLU A 146 1.096 14.363 -2.506 1.00 0.84 H new ATOM 0 HA GLU A 146 0.487 15.775 -4.070 1.00 0.94 H new ATOM 0 HB2 GLU A 146 3.264 15.440 -5.274 1.00 1.04 H new ATOM 0 HB3 GLU A 146 2.125 16.705 -5.691 1.00 1.04 H new ATOM 0 HG2 GLU A 146 2.656 17.970 -3.876 1.00 1.65 H new ATOM 0 HG3 GLU A 146 2.749 16.589 -2.801 1.00 1.65 H new ATOM 2307 N GLY A 147 0.178 13.174 -5.507 1.00 0.99 N ATOM 2308 CA GLY A 147 -0.243 12.317 -6.625 1.00 1.06 C ATOM 2309 C GLY A 147 0.919 11.726 -7.438 1.00 0.96 C ATOM 2310 O GLY A 147 0.707 11.317 -8.583 1.00 1.07 O ATOM 0 H GLY A 147 -0.017 12.780 -4.587 1.00 0.99 H new ATOM 0 HA2 GLY A 147 -0.850 11.501 -6.234 1.00 1.06 H new ATOM 0 HA3 GLY A 147 -0.881 12.897 -7.292 1.00 1.06 H new ATOM 2314 N ARG A 148 2.137 11.661 -6.874 1.00 0.82 N ATOM 2315 CA ARG A 148 3.334 11.125 -7.528 1.00 0.76 C ATOM 2316 C ARG A 148 4.198 10.261 -6.610 1.00 1.11 C ATOM 2317 O ARG A 148 4.394 10.539 -5.429 1.00 1.30 O ATOM 2318 CB ARG A 148 4.167 12.232 -8.200 1.00 0.86 C ATOM 2319 CG ARG A 148 4.548 13.398 -7.297 1.00 1.26 C ATOM 2320 CD ARG A 148 5.501 14.319 -8.055 1.00 1.29 C ATOM 2321 NE ARG A 148 5.923 15.485 -7.262 1.00 1.94 N ATOM 2322 CZ ARG A 148 6.881 16.349 -7.567 1.00 2.60 C ATOM 2323 NH1 ARG A 148 7.592 16.250 -8.671 1.00 3.09 N ATOM 2324 NH2 ARG A 148 7.130 17.336 -6.741 1.00 3.50 N ATOM 0 H ARG A 148 2.317 11.990 -5.925 1.00 0.82 H new ATOM 0 HA ARG A 148 2.964 10.461 -8.309 1.00 0.76 H new ATOM 0 HB2 ARG A 148 5.080 11.787 -8.596 1.00 0.86 H new ATOM 0 HB3 ARG A 148 3.606 12.620 -9.050 1.00 0.86 H new ATOM 0 HG2 ARG A 148 3.656 13.946 -6.993 1.00 1.26 H new ATOM 0 HG3 ARG A 148 5.023 13.031 -6.387 1.00 1.26 H new ATOM 0 HD2 ARG A 148 6.382 13.753 -8.356 1.00 1.29 H new ATOM 0 HD3 ARG A 148 5.016 14.663 -8.968 1.00 1.29 H new ATOM 0 HE ARG A 148 5.426 15.645 -6.386 1.00 1.94 H new ATOM 0 HH11 ARG A 148 7.414 15.489 -9.326 1.00 3.09 H new ATOM 0 HH12 ARG A 148 8.321 16.935 -8.871 1.00 3.09 H new ATOM 0 HH21 ARG A 148 6.590 17.429 -5.880 1.00 3.50 H new ATOM 0 HH22 ARG A 148 7.863 18.011 -6.959 1.00 3.50 H new ATOM 2338 N LEU A 149 4.733 9.187 -7.186 1.00 0.64 N ATOM 2339 CA LEU A 149 5.527 8.149 -6.530 1.00 0.57 C ATOM 2340 C LEU A 149 6.953 8.667 -6.290 1.00 0.88 C ATOM 2341 O LEU A 149 7.661 8.970 -7.248 1.00 1.17 O ATOM 2342 CB LEU A 149 5.479 6.880 -7.416 1.00 0.72 C ATOM 2343 CG LEU A 149 5.446 5.539 -6.659 1.00 0.97 C ATOM 2344 CD1 LEU A 149 5.365 4.393 -7.673 1.00 1.82 C ATOM 2345 CD2 LEU A 149 6.651 5.300 -5.745 1.00 2.04 C ATOM 0 H LEU A 149 4.617 9.007 -8.183 1.00 0.64 H new ATOM 0 HA LEU A 149 5.125 7.891 -5.550 1.00 0.57 H new ATOM 0 HB2 LEU A 149 4.597 6.938 -8.054 1.00 0.72 H new ATOM 0 HB3 LEU A 149 6.349 6.884 -8.073 1.00 0.72 H new ATOM 0 HG LEU A 149 4.569 5.578 -6.013 1.00 0.97 H new ATOM 0 HD11 LEU A 149 5.341 3.440 -7.144 1.00 1.82 H new ATOM 0 HD12 LEU A 149 4.459 4.499 -8.270 1.00 1.82 H new ATOM 0 HD13 LEU A 149 6.237 4.423 -8.327 1.00 1.82 H new ATOM 0 HD21 LEU A 149 6.547 4.334 -5.251 1.00 2.04 H new ATOM 0 HD22 LEU A 149 7.565 5.308 -6.339 1.00 2.04 H new ATOM 0 HD23 LEU A 149 6.700 6.088 -4.994 1.00 2.04 H new ATOM 2357 N VAL A 150 7.356 8.761 -5.020 1.00 0.50 N ATOM 2358 CA VAL A 150 8.627 9.371 -4.572 1.00 0.60 C ATOM 2359 C VAL A 150 9.567 8.392 -3.841 1.00 0.94 C ATOM 2360 O VAL A 150 10.731 8.718 -3.605 1.00 1.11 O ATOM 2361 CB VAL A 150 8.370 10.609 -3.672 1.00 0.76 C ATOM 2362 CG1 VAL A 150 7.763 11.761 -4.484 1.00 1.58 C ATOM 2363 CG2 VAL A 150 7.461 10.303 -2.468 1.00 1.10 C ATOM 0 H VAL A 150 6.795 8.406 -4.246 1.00 0.50 H new ATOM 0 HA VAL A 150 9.133 9.676 -5.488 1.00 0.60 H new ATOM 0 HB VAL A 150 9.346 10.901 -3.283 1.00 0.76 H new ATOM 0 HG11 VAL A 150 7.592 12.616 -3.830 1.00 1.58 H new ATOM 0 HG12 VAL A 150 8.449 12.045 -5.282 1.00 1.58 H new ATOM 0 HG13 VAL A 150 6.815 11.441 -4.917 1.00 1.58 H new ATOM 0 HG21 VAL A 150 7.320 11.209 -1.879 1.00 1.10 H new ATOM 0 HG22 VAL A 150 6.494 9.947 -2.823 1.00 1.10 H new ATOM 0 HG23 VAL A 150 7.924 9.535 -1.848 1.00 1.10 H new ATOM 2373 N LEU A 151 9.088 7.185 -3.503 1.00 0.52 N ATOM 2374 CA LEU A 151 9.817 6.192 -2.698 1.00 0.52 C ATOM 2375 C LEU A 151 9.241 4.772 -2.835 1.00 1.03 C ATOM 2376 O LEU A 151 8.019 4.598 -2.887 1.00 1.20 O ATOM 2377 CB LEU A 151 9.814 6.651 -1.219 1.00 0.55 C ATOM 2378 CG LEU A 151 11.203 7.027 -0.689 1.00 0.80 C ATOM 2379 CD1 LEU A 151 11.066 7.870 0.571 1.00 1.01 C ATOM 2380 CD2 LEU A 151 12.013 5.773 -0.359 1.00 0.83 C ATOM 0 H LEU A 151 8.162 6.865 -3.788 1.00 0.52 H new ATOM 0 HA LEU A 151 10.839 6.135 -3.072 1.00 0.52 H new ATOM 0 HB2 LEU A 151 9.150 7.509 -1.115 1.00 0.55 H new ATOM 0 HB3 LEU A 151 9.402 5.853 -0.601 1.00 0.55 H new ATOM 0 HG LEU A 151 11.720 7.594 -1.463 1.00 0.80 H new ATOM 0 HD11 LEU A 151 12.056 8.133 0.942 1.00 1.01 H new ATOM 0 HD12 LEU A 151 10.511 8.779 0.342 1.00 1.01 H new ATOM 0 HD13 LEU A 151 10.533 7.302 1.333 1.00 1.01 H new ATOM 0 HD21 LEU A 151 12.995 6.062 0.015 1.00 0.83 H new ATOM 0 HD22 LEU A 151 11.491 5.193 0.402 1.00 0.83 H new ATOM 0 HD23 LEU A 151 12.131 5.169 -1.259 1.00 0.83 H new ATOM 2392 N LEU A 152 10.117 3.764 -2.857 1.00 0.53 N ATOM 2393 CA LEU A 152 9.760 2.333 -2.908 1.00 0.52 C ATOM 2394 C LEU A 152 10.170 1.610 -1.619 1.00 1.05 C ATOM 2395 O LEU A 152 11.180 1.963 -1.009 1.00 1.14 O ATOM 2396 CB LEU A 152 10.451 1.652 -4.104 1.00 0.60 C ATOM 2397 CG LEU A 152 10.146 2.248 -5.492 1.00 0.71 C ATOM 2398 CD1 LEU A 152 11.018 1.562 -6.553 1.00 0.87 C ATOM 2399 CD2 LEU A 152 8.669 2.064 -5.851 1.00 0.83 C ATOM 0 H LEU A 152 11.125 3.919 -2.839 1.00 0.53 H new ATOM 0 HA LEU A 152 8.678 2.270 -3.019 1.00 0.52 H new ATOM 0 HB2 LEU A 152 11.529 1.689 -3.944 1.00 0.60 H new ATOM 0 HB3 LEU A 152 10.165 0.600 -4.112 1.00 0.60 H new ATOM 0 HG LEU A 152 10.368 3.315 -5.464 1.00 0.71 H new ATOM 0 HD11 LEU A 152 10.800 1.986 -7.533 1.00 0.87 H new ATOM 0 HD12 LEU A 152 12.070 1.719 -6.316 1.00 0.87 H new ATOM 0 HD13 LEU A 152 10.804 0.493 -6.564 1.00 0.87 H new ATOM 0 HD21 LEU A 152 8.478 2.492 -6.835 1.00 0.83 H new ATOM 0 HD22 LEU A 152 8.428 1.001 -5.865 1.00 0.83 H new ATOM 0 HD23 LEU A 152 8.049 2.567 -5.109 1.00 0.83 H new ATOM 2411 N TYR A 153 9.408 0.576 -1.237 1.00 0.56 N ATOM 2412 CA TYR A 153 9.583 -0.156 0.024 1.00 0.55 C ATOM 2413 C TYR A 153 9.164 -1.644 -0.046 1.00 1.10 C ATOM 2414 O TYR A 153 7.991 -1.985 -0.177 1.00 1.60 O ATOM 2415 CB TYR A 153 8.793 0.576 1.131 1.00 0.65 C ATOM 2416 CG TYR A 153 9.669 1.264 2.151 1.00 0.78 C ATOM 2417 CD1 TYR A 153 10.230 0.492 3.183 1.00 2.27 C ATOM 2418 CD2 TYR A 153 9.922 2.649 2.082 1.00 1.80 C ATOM 2419 CE1 TYR A 153 11.045 1.096 4.152 1.00 2.75 C ATOM 2420 CE2 TYR A 153 10.747 3.257 3.047 1.00 1.70 C ATOM 2421 CZ TYR A 153 11.312 2.476 4.082 1.00 1.67 C ATOM 2422 OH TYR A 153 12.139 3.015 5.011 1.00 2.29 O ATOM 0 H TYR A 153 8.640 0.219 -1.805 1.00 0.56 H new ATOM 0 HA TYR A 153 10.650 -0.169 0.246 1.00 0.55 H new ATOM 0 HB2 TYR A 153 8.139 1.316 0.669 1.00 0.65 H new ATOM 0 HB3 TYR A 153 8.151 -0.142 1.642 1.00 0.65 H new ATOM 0 HD1 TYR A 153 10.033 -0.569 3.230 1.00 2.27 H new ATOM 0 HD2 TYR A 153 9.485 3.241 1.292 1.00 1.80 H new ATOM 0 HE1 TYR A 153 11.467 0.503 4.950 1.00 2.75 H new ATOM 0 HE2 TYR A 153 10.948 4.317 2.997 1.00 1.70 H new ATOM 0 HH TYR A 153 12.211 3.981 4.863 1.00 2.29 H new ATOM 2432 N SER A 154 10.114 -2.564 0.129 1.00 0.79 N ATOM 2433 CA SER A 154 9.842 -3.986 0.403 1.00 0.74 C ATOM 2434 C SER A 154 9.253 -4.194 1.821 1.00 0.98 C ATOM 2435 O SER A 154 9.495 -3.343 2.683 1.00 1.15 O ATOM 2436 CB SER A 154 11.148 -4.790 0.293 1.00 0.92 C ATOM 2437 OG SER A 154 12.136 -4.196 -0.537 1.00 1.51 O ATOM 0 H SER A 154 11.109 -2.345 0.085 1.00 0.79 H new ATOM 0 HA SER A 154 9.113 -4.329 -0.331 1.00 0.74 H new ATOM 0 HB2 SER A 154 11.563 -4.924 1.292 1.00 0.92 H new ATOM 0 HB3 SER A 154 10.917 -5.783 -0.092 1.00 0.92 H new ATOM 0 HG SER A 154 12.934 -4.765 -0.554 1.00 1.51 H new ATOM 2443 N PRO A 155 8.565 -5.315 2.121 1.00 0.71 N ATOM 2444 CA PRO A 155 8.179 -5.647 3.494 1.00 0.86 C ATOM 2445 C PRO A 155 9.425 -5.825 4.373 1.00 1.06 C ATOM 2446 O PRO A 155 9.524 -5.198 5.424 1.00 1.01 O ATOM 2447 CB PRO A 155 7.329 -6.918 3.398 1.00 1.04 C ATOM 2448 CG PRO A 155 7.792 -7.569 2.094 1.00 0.95 C ATOM 2449 CD PRO A 155 8.156 -6.375 1.213 1.00 0.79 C ATOM 0 HA PRO A 155 7.603 -4.852 3.967 1.00 0.86 H new ATOM 0 HB2 PRO A 155 7.493 -7.574 4.253 1.00 1.04 H new ATOM 0 HB3 PRO A 155 6.264 -6.686 3.373 1.00 1.04 H new ATOM 0 HG2 PRO A 155 8.647 -8.226 2.254 1.00 0.95 H new ATOM 0 HG3 PRO A 155 7.005 -8.174 1.645 1.00 0.95 H new ATOM 0 HD2 PRO A 155 8.961 -6.630 0.524 1.00 0.79 H new ATOM 0 HD3 PRO A 155 7.305 -6.063 0.608 1.00 0.79 H new ATOM 2457 N ASP A 156 10.440 -6.546 3.891 1.00 0.85 N ATOM 2458 CA ASP A 156 11.745 -6.707 4.544 1.00 1.01 C ATOM 2459 C ASP A 156 12.544 -5.395 4.736 1.00 1.16 C ATOM 2460 O ASP A 156 13.637 -5.406 5.307 1.00 1.60 O ATOM 2461 CB ASP A 156 12.553 -7.711 3.701 1.00 1.24 C ATOM 2462 CG ASP A 156 12.726 -7.209 2.262 1.00 1.54 C ATOM 2463 OD1 ASP A 156 13.719 -6.481 2.004 1.00 1.84 O ATOM 2464 OD2 ASP A 156 11.815 -7.465 1.445 1.00 2.56 O ATOM 0 H ASP A 156 10.376 -7.051 3.007 1.00 0.85 H new ATOM 0 HA ASP A 156 11.567 -7.064 5.559 1.00 1.01 H new ATOM 0 HB2 ASP A 156 13.531 -7.868 4.155 1.00 1.24 H new ATOM 0 HB3 ASP A 156 12.046 -8.676 3.695 1.00 1.24 H new ATOM 2469 N LYS A 157 12.031 -4.258 4.250 1.00 0.86 N ATOM 2470 CA LYS A 157 12.470 -2.915 4.615 1.00 0.87 C ATOM 2471 C LYS A 157 11.444 -2.209 5.528 1.00 1.16 C ATOM 2472 O LYS A 157 11.853 -1.548 6.481 1.00 1.25 O ATOM 2473 CB LYS A 157 12.733 -2.093 3.333 1.00 0.90 C ATOM 2474 CG LYS A 157 13.733 -2.661 2.304 1.00 1.31 C ATOM 2475 CD LYS A 157 15.220 -2.573 2.689 1.00 1.70 C ATOM 2476 CE LYS A 157 15.688 -3.614 3.716 1.00 2.33 C ATOM 2477 NZ LYS A 157 15.611 -5.007 3.210 1.00 2.99 N ATOM 0 H LYS A 157 11.272 -4.253 3.568 1.00 0.86 H new ATOM 0 HA LYS A 157 13.396 -2.995 5.184 1.00 0.87 H new ATOM 0 HB2 LYS A 157 11.779 -1.948 2.827 1.00 0.90 H new ATOM 0 HB3 LYS A 157 13.087 -1.107 3.634 1.00 0.90 H new ATOM 0 HG2 LYS A 157 13.486 -3.708 2.126 1.00 1.31 H new ATOM 0 HG3 LYS A 157 13.591 -2.135 1.360 1.00 1.31 H new ATOM 0 HD2 LYS A 157 15.820 -2.681 1.786 1.00 1.70 H new ATOM 0 HD3 LYS A 157 15.418 -1.578 3.087 1.00 1.70 H new ATOM 0 HE2 LYS A 157 16.716 -3.395 4.004 1.00 2.33 H new ATOM 0 HE3 LYS A 157 15.079 -3.527 4.616 1.00 2.33 H new ATOM 0 HZ1 LYS A 157 15.891 -5.666 3.964 1.00 2.99 H new ATOM 0 HZ2 LYS A 157 14.636 -5.215 2.913 1.00 2.99 H new ATOM 0 HZ3 LYS A 157 16.252 -5.117 2.398 1.00 2.99 H new ATOM 2491 N ALA A 158 10.143 -2.334 5.248 1.00 0.71 N ATOM 2492 CA ALA A 158 9.051 -1.580 5.879 1.00 0.73 C ATOM 2493 C ALA A 158 8.704 -2.032 7.306 1.00 0.96 C ATOM 2494 O ALA A 158 8.365 -1.187 8.135 1.00 1.02 O ATOM 2495 CB ALA A 158 7.815 -1.692 4.975 1.00 0.79 C ATOM 0 H ALA A 158 9.806 -2.992 4.545 1.00 0.71 H new ATOM 0 HA ALA A 158 9.388 -0.549 5.984 1.00 0.73 H new ATOM 0 HB1 ALA A 158 6.987 -1.140 5.420 1.00 0.79 H new ATOM 0 HB2 ALA A 158 8.043 -1.275 3.994 1.00 0.79 H new ATOM 0 HB3 ALA A 158 7.536 -2.740 4.868 1.00 0.79 H new ATOM 2501 N GLU A 159 8.810 -3.334 7.599 1.00 0.68 N ATOM 2502 CA GLU A 159 8.424 -3.886 8.907 1.00 0.82 C ATOM 2503 C GLU A 159 9.272 -3.292 10.054 1.00 1.12 C ATOM 2504 O GLU A 159 8.806 -3.165 11.190 1.00 1.34 O ATOM 2505 CB GLU A 159 8.398 -5.430 8.860 1.00 1.11 C ATOM 2506 CG GLU A 159 7.330 -5.902 7.847 1.00 1.48 C ATOM 2507 CD GLU A 159 6.997 -7.394 7.859 1.00 1.99 C ATOM 2508 OE1 GLU A 159 7.912 -8.202 8.118 1.00 2.25 O ATOM 2509 OE2 GLU A 159 5.813 -7.708 7.567 1.00 3.33 O ATOM 0 H GLU A 159 9.163 -4.031 6.943 1.00 0.68 H new ATOM 0 HA GLU A 159 7.404 -3.578 9.135 1.00 0.82 H new ATOM 0 HB2 GLU A 159 9.378 -5.811 8.574 1.00 1.11 H new ATOM 0 HB3 GLU A 159 8.177 -5.830 9.850 1.00 1.11 H new ATOM 0 HG2 GLU A 159 6.412 -5.345 8.034 1.00 1.48 H new ATOM 0 HG3 GLU A 159 7.667 -5.635 6.845 1.00 1.48 H new ATOM 2516 N ALA A 160 10.466 -2.768 9.744 1.00 0.89 N ATOM 2517 CA ALA A 160 11.209 -1.861 10.610 1.00 0.93 C ATOM 2518 C ALA A 160 10.555 -0.459 10.620 1.00 1.04 C ATOM 2519 O ALA A 160 11.082 0.478 10.012 1.00 1.00 O ATOM 2520 CB ALA A 160 12.679 -1.859 10.156 1.00 1.09 C ATOM 0 H ALA A 160 10.946 -2.970 8.867 1.00 0.89 H new ATOM 0 HA ALA A 160 11.182 -2.196 11.647 1.00 0.93 H new ATOM 0 HB1 ALA A 160 13.255 -1.186 10.791 1.00 1.09 H new ATOM 0 HB2 ALA A 160 13.085 -2.868 10.234 1.00 1.09 H new ATOM 0 HB3 ALA A 160 12.740 -1.522 9.121 1.00 1.09 H new ATOM 2526 N THR A 161 9.434 -0.331 11.350 1.00 0.85 N ATOM 2527 CA THR A 161 8.550 0.861 11.464 1.00 0.95 C ATOM 2528 C THR A 161 9.273 2.193 11.262 1.00 1.26 C ATOM 2529 O THR A 161 8.913 2.973 10.381 1.00 1.59 O ATOM 2530 CB THR A 161 7.847 0.859 12.834 1.00 1.00 C ATOM 2531 OG1 THR A 161 6.953 -0.227 12.914 1.00 1.06 O ATOM 2532 CG2 THR A 161 7.003 2.110 13.081 1.00 1.26 C ATOM 0 H THR A 161 9.091 -1.106 11.918 1.00 0.85 H new ATOM 0 HA THR A 161 7.825 0.779 10.655 1.00 0.95 H new ATOM 0 HB THR A 161 8.648 0.806 13.571 1.00 1.00 H new ATOM 0 HG1 THR A 161 6.511 -0.223 13.789 1.00 1.06 H new ATOM 0 HG21 THR A 161 6.535 2.045 14.063 1.00 1.26 H new ATOM 0 HG22 THR A 161 7.641 2.993 13.040 1.00 1.26 H new ATOM 0 HG23 THR A 161 6.231 2.185 12.316 1.00 1.26 H new ATOM 2540 N ASP A 162 10.301 2.482 12.064 1.00 1.16 N ATOM 2541 CA ASP A 162 10.932 3.809 12.123 1.00 1.36 C ATOM 2542 C ASP A 162 11.623 4.220 10.827 1.00 1.74 C ATOM 2543 O ASP A 162 11.816 5.406 10.580 1.00 1.85 O ATOM 2544 CB ASP A 162 11.978 3.901 13.234 1.00 1.53 C ATOM 2545 CG ASP A 162 11.771 2.890 14.346 1.00 1.77 C ATOM 2546 OD1 ASP A 162 12.286 1.760 14.172 1.00 3.04 O ATOM 2547 OD2 ASP A 162 11.029 3.241 15.293 1.00 2.25 O ATOM 0 H ASP A 162 10.723 1.801 12.695 1.00 1.16 H new ATOM 0 HA ASP A 162 10.098 4.484 12.315 1.00 1.36 H new ATOM 0 HB2 ASP A 162 12.968 3.757 12.802 1.00 1.53 H new ATOM 0 HB3 ASP A 162 11.958 4.905 13.658 1.00 1.53 H new ATOM 2552 N ARG A 163 11.989 3.234 10.011 1.00 1.42 N ATOM 2553 CA ARG A 163 12.499 3.460 8.660 1.00 1.48 C ATOM 2554 C ARG A 163 11.412 4.136 7.812 1.00 1.61 C ATOM 2555 O ARG A 163 11.643 5.229 7.305 1.00 1.78 O ATOM 2556 CB ARG A 163 13.011 2.154 8.023 1.00 1.56 C ATOM 2557 CG ARG A 163 13.993 1.321 8.866 1.00 1.77 C ATOM 2558 CD ARG A 163 15.211 2.089 9.407 1.00 1.79 C ATOM 2559 NE ARG A 163 15.854 1.388 10.543 1.00 2.04 N ATOM 2560 CZ ARG A 163 15.328 1.246 11.759 1.00 3.41 C ATOM 2561 NH1 ARG A 163 14.114 1.672 12.027 1.00 4.46 N ATOM 2562 NH2 ARG A 163 16.012 0.681 12.731 1.00 4.31 N ATOM 0 H ARG A 163 11.940 2.249 10.270 1.00 1.42 H new ATOM 0 HA ARG A 163 13.359 4.127 8.709 1.00 1.48 H new ATOM 0 HB2 ARG A 163 12.150 1.529 7.785 1.00 1.56 H new ATOM 0 HB3 ARG A 163 13.496 2.402 7.079 1.00 1.56 H new ATOM 0 HG2 ARG A 163 13.450 0.893 9.709 1.00 1.77 H new ATOM 0 HG3 ARG A 163 14.349 0.488 8.261 1.00 1.77 H new ATOM 0 HD2 ARG A 163 15.938 2.224 8.607 1.00 1.79 H new ATOM 0 HD3 ARG A 163 14.899 3.084 9.725 1.00 1.79 H new ATOM 0 HE ARG A 163 16.775 0.981 10.381 1.00 2.04 H new ATOM 0 HH11 ARG A 163 13.558 2.120 11.298 1.00 4.46 H new ATOM 0 HH12 ARG A 163 13.728 1.555 12.964 1.00 4.46 H new ATOM 0 HH21 ARG A 163 16.959 0.344 12.559 1.00 4.31 H new ATOM 0 HH22 ARG A 163 15.595 0.580 13.656 1.00 4.31 H new ATOM 2576 N VAL A 164 10.196 3.576 7.793 1.00 1.37 N ATOM 2577 CA VAL A 164 9.037 4.175 7.105 1.00 1.31 C ATOM 2578 C VAL A 164 8.756 5.574 7.665 1.00 1.35 C ATOM 2579 O VAL A 164 8.586 6.510 6.890 1.00 1.37 O ATOM 2580 CB VAL A 164 7.773 3.288 7.202 1.00 1.26 C ATOM 2581 CG1 VAL A 164 6.605 3.866 6.387 1.00 1.32 C ATOM 2582 CG2 VAL A 164 8.058 1.858 6.706 1.00 1.29 C ATOM 0 H VAL A 164 9.984 2.692 8.255 1.00 1.37 H new ATOM 0 HA VAL A 164 9.290 4.254 6.048 1.00 1.31 H new ATOM 0 HB VAL A 164 7.494 3.264 8.255 1.00 1.26 H new ATOM 0 HG11 VAL A 164 5.737 3.213 6.482 1.00 1.32 H new ATOM 0 HG12 VAL A 164 6.355 4.858 6.762 1.00 1.32 H new ATOM 0 HG13 VAL A 164 6.893 3.937 5.338 1.00 1.32 H new ATOM 0 HG21 VAL A 164 7.152 1.258 6.786 1.00 1.29 H new ATOM 0 HG22 VAL A 164 8.381 1.891 5.665 1.00 1.29 H new ATOM 0 HG23 VAL A 164 8.844 1.411 7.315 1.00 1.29 H new ATOM 2592 N VAL A 165 8.776 5.734 8.996 1.00 1.23 N ATOM 2593 CA VAL A 165 8.603 7.047 9.653 1.00 1.18 C ATOM 2594 C VAL A 165 9.635 8.083 9.177 1.00 1.34 C ATOM 2595 O VAL A 165 9.247 9.177 8.781 1.00 1.50 O ATOM 2596 CB VAL A 165 8.675 6.950 11.193 1.00 1.19 C ATOM 2597 CG1 VAL A 165 8.473 8.313 11.879 1.00 1.24 C ATOM 2598 CG2 VAL A 165 7.610 5.985 11.726 1.00 1.47 C ATOM 0 H VAL A 165 8.912 4.963 9.649 1.00 1.23 H new ATOM 0 HA VAL A 165 7.606 7.378 9.363 1.00 1.18 H new ATOM 0 HB VAL A 165 9.675 6.585 11.426 1.00 1.19 H new ATOM 0 HG11 VAL A 165 8.533 8.189 12.960 1.00 1.24 H new ATOM 0 HG12 VAL A 165 9.249 9.005 11.550 1.00 1.24 H new ATOM 0 HG13 VAL A 165 7.494 8.712 11.613 1.00 1.24 H new ATOM 0 HG21 VAL A 165 7.678 5.932 12.813 1.00 1.47 H new ATOM 0 HG22 VAL A 165 6.620 6.342 11.442 1.00 1.47 H new ATOM 0 HG23 VAL A 165 7.773 4.994 11.303 1.00 1.47 H new ATOM 2608 N ALA A 166 10.934 7.771 9.235 1.00 1.09 N ATOM 2609 CA ALA A 166 12.009 8.707 8.912 1.00 1.06 C ATOM 2610 C ALA A 166 12.054 9.058 7.418 1.00 1.26 C ATOM 2611 O ALA A 166 12.250 10.231 7.102 1.00 1.31 O ATOM 2612 CB ALA A 166 13.337 8.097 9.376 1.00 1.08 C ATOM 0 H ALA A 166 11.270 6.848 9.512 1.00 1.09 H new ATOM 0 HA ALA A 166 11.824 9.646 9.433 1.00 1.06 H new ATOM 0 HB1 ALA A 166 14.153 8.782 9.143 1.00 1.08 H new ATOM 0 HB2 ALA A 166 13.303 7.926 10.452 1.00 1.08 H new ATOM 0 HB3 ALA A 166 13.501 7.149 8.863 1.00 1.08 H new ATOM 2618 N ASP A 167 11.805 8.092 6.527 1.00 1.07 N ATOM 2619 CA ASP A 167 11.617 8.338 5.091 1.00 1.11 C ATOM 2620 C ASP A 167 10.406 9.251 4.844 1.00 1.39 C ATOM 2621 O ASP A 167 10.522 10.227 4.104 1.00 1.36 O ATOM 2622 CB ASP A 167 11.440 7.007 4.336 1.00 1.25 C ATOM 2623 CG ASP A 167 12.751 6.387 3.840 1.00 1.46 C ATOM 2624 OD1 ASP A 167 13.338 6.883 2.858 1.00 2.08 O ATOM 2625 OD2 ASP A 167 13.147 5.320 4.357 1.00 2.64 O ATOM 0 H ASP A 167 11.727 7.108 6.784 1.00 1.07 H new ATOM 0 HA ASP A 167 12.508 8.841 4.715 1.00 1.11 H new ATOM 0 HB2 ASP A 167 10.939 6.294 4.991 1.00 1.25 H new ATOM 0 HB3 ASP A 167 10.783 7.171 3.482 1.00 1.25 H new ATOM 2630 N LEU A 168 9.264 8.994 5.501 1.00 1.10 N ATOM 2631 CA LEU A 168 8.080 9.867 5.428 1.00 1.16 C ATOM 2632 C LEU A 168 8.365 11.274 5.965 1.00 1.52 C ATOM 2633 O LEU A 168 7.868 12.249 5.412 1.00 1.72 O ATOM 2634 CB LEU A 168 6.895 9.263 6.209 1.00 1.22 C ATOM 2635 CG LEU A 168 6.146 8.101 5.529 1.00 1.33 C ATOM 2636 CD1 LEU A 168 5.112 7.556 6.525 1.00 1.50 C ATOM 2637 CD2 LEU A 168 5.425 8.536 4.246 1.00 1.85 C ATOM 0 H LEU A 168 9.135 8.177 6.097 1.00 1.10 H new ATOM 0 HA LEU A 168 7.822 9.944 4.372 1.00 1.16 H new ATOM 0 HB2 LEU A 168 7.264 8.913 7.173 1.00 1.22 H new ATOM 0 HB3 LEU A 168 6.178 10.059 6.412 1.00 1.22 H new ATOM 0 HG LEU A 168 6.876 7.342 5.247 1.00 1.33 H new ATOM 0 HD11 LEU A 168 4.566 6.731 6.068 1.00 1.50 H new ATOM 0 HD12 LEU A 168 5.621 7.202 7.421 1.00 1.50 H new ATOM 0 HD13 LEU A 168 4.413 8.348 6.794 1.00 1.50 H new ATOM 0 HD21 LEU A 168 4.914 7.679 3.808 1.00 1.85 H new ATOM 0 HD22 LEU A 168 4.696 9.311 4.483 1.00 1.85 H new ATOM 0 HD23 LEU A 168 6.152 8.927 3.535 1.00 1.85 H new ATOM 2649 N GLN A 169 9.171 11.402 7.017 1.00 1.09 N ATOM 2650 CA GLN A 169 9.505 12.688 7.625 1.00 1.09 C ATOM 2651 C GLN A 169 10.332 13.598 6.707 1.00 1.43 C ATOM 2652 O GLN A 169 10.305 14.809 6.896 1.00 1.51 O ATOM 2653 CB GLN A 169 10.213 12.439 8.963 1.00 1.10 C ATOM 2654 CG GLN A 169 9.215 12.205 10.113 1.00 1.24 C ATOM 2655 CD GLN A 169 9.914 12.080 11.467 1.00 1.75 C ATOM 2656 OE1 GLN A 169 10.851 11.321 11.646 1.00 3.56 O ATOM 2657 NE2 GLN A 169 9.550 12.843 12.474 1.00 1.75 N ATOM 0 H GLN A 169 9.615 10.607 7.476 1.00 1.09 H new ATOM 0 HA GLN A 169 8.575 13.230 7.796 1.00 1.09 H new ATOM 0 HB2 GLN A 169 10.868 11.573 8.870 1.00 1.10 H new ATOM 0 HB3 GLN A 169 10.846 13.293 9.202 1.00 1.10 H new ATOM 0 HG2 GLN A 169 8.504 13.030 10.148 1.00 1.24 H new ATOM 0 HG3 GLN A 169 8.643 11.299 9.916 1.00 1.24 H new ATOM 0 HE21 GLN A 169 8.771 13.492 12.366 1.00 1.75 H new ATOM 0 HE22 GLN A 169 10.047 12.786 13.363 1.00 1.75 H new ATOM 2666 N ALA A 170 11.040 13.047 5.715 1.00 1.13 N ATOM 2667 CA ALA A 170 11.707 13.810 4.658 1.00 1.22 C ATOM 2668 C ALA A 170 10.791 14.416 3.581 1.00 1.40 C ATOM 2669 O ALA A 170 11.247 15.241 2.789 1.00 1.67 O ATOM 2670 CB ALA A 170 12.696 12.865 3.989 1.00 1.28 C ATOM 0 H ALA A 170 11.167 12.039 5.624 1.00 1.13 H new ATOM 0 HA ALA A 170 12.170 14.672 5.139 1.00 1.22 H new ATOM 0 HB1 ALA A 170 13.219 13.391 3.191 1.00 1.28 H new ATOM 0 HB2 ALA A 170 13.418 12.513 4.726 1.00 1.28 H new ATOM 0 HB3 ALA A 170 12.160 12.013 3.571 1.00 1.28 H new ATOM 2676 N LEU A 171 9.552 13.928 3.461 1.00 1.32 N ATOM 2677 CA LEU A 171 8.662 14.231 2.330 1.00 1.49 C ATOM 2678 C LEU A 171 7.620 15.294 2.669 1.00 1.97 C ATOM 2679 O LEU A 171 7.118 15.966 1.769 1.00 2.51 O ATOM 2680 CB LEU A 171 7.921 12.942 1.933 1.00 1.53 C ATOM 2681 CG LEU A 171 8.820 11.789 1.454 1.00 1.40 C ATOM 2682 CD1 LEU A 171 7.930 10.568 1.192 1.00 1.64 C ATOM 2683 CD2 LEU A 171 9.621 12.149 0.195 1.00 1.70 C ATOM 0 H LEU A 171 9.133 13.305 4.152 1.00 1.32 H new ATOM 0 HA LEU A 171 9.280 14.615 1.519 1.00 1.49 H new ATOM 0 HB2 LEU A 171 7.341 12.597 2.789 1.00 1.53 H new ATOM 0 HB3 LEU A 171 7.210 13.180 1.142 1.00 1.53 H new ATOM 0 HG LEU A 171 9.554 11.575 2.230 1.00 1.40 H new ATOM 0 HD11 LEU A 171 8.545 9.736 0.851 1.00 1.64 H new ATOM 0 HD12 LEU A 171 7.418 10.287 2.112 1.00 1.64 H new ATOM 0 HD13 LEU A 171 7.193 10.812 0.427 1.00 1.64 H new ATOM 0 HD21 LEU A 171 10.238 11.300 -0.099 1.00 1.70 H new ATOM 0 HD22 LEU A 171 8.934 12.396 -0.615 1.00 1.70 H new ATOM 0 HD23 LEU A 171 10.260 13.007 0.403 1.00 1.70 H new ATOM 2695 N LEU A 172 7.200 15.303 3.937 1.00 1.40 N ATOM 2696 CA LEU A 172 5.758 15.267 4.250 1.00 1.34 C ATOM 2697 C LEU A 172 4.896 16.525 4.028 1.00 1.65 C ATOM 2698 O LEU A 172 3.753 16.321 3.577 1.00 2.19 O ATOM 2699 CB LEU A 172 5.480 14.438 5.509 1.00 2.02 C ATOM 2700 CG LEU A 172 6.285 14.789 6.754 1.00 1.64 C ATOM 2701 CD1 LEU A 172 6.009 16.230 7.122 1.00 2.26 C ATOM 2702 CD2 LEU A 172 5.822 13.850 7.857 1.00 2.16 C ATOM 2703 OXT LEU A 172 5.243 17.665 4.389 1.00 2.37 O ATOM 0 H LEU A 172 7.816 15.334 4.750 1.00 1.40 H new ATOM 0 HA LEU A 172 5.330 14.724 3.407 1.00 1.34 H new ATOM 0 HB2 LEU A 172 4.421 14.532 5.751 1.00 2.02 H new ATOM 0 HB3 LEU A 172 5.661 13.389 5.272 1.00 2.02 H new ATOM 0 HG LEU A 172 7.358 14.678 6.594 1.00 1.64 H new ATOM 0 HD11 LEU A 172 6.580 16.494 8.012 1.00 2.26 H new ATOM 0 HD12 LEU A 172 6.303 16.879 6.297 1.00 2.26 H new ATOM 0 HD13 LEU A 172 4.945 16.357 7.322 1.00 2.26 H new ATOM 0 HD21 LEU A 172 6.373 14.065 8.773 1.00 2.16 H new ATOM 0 HD22 LEU A 172 4.756 13.993 8.033 1.00 2.16 H new ATOM 0 HD23 LEU A 172 6.005 12.818 7.557 1.00 2.16 H new TER 2715 LEU A 172