USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 837 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 73 HIS : no HE2:sc= -1.62 K(o=-1.6,f=-4.6) USER MOD Set 1.2: B 107 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 61 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -0.974 X(o=-0.97,f=-0.94) USER MOD Set 3.1: A 42 HIS :FLIP no HD1:sc= -0.0423 F(o=-3.2,f=-2.3) USER MOD Set 3.2: A 56 GLN :FLIP amide:sc= -2.23! C(o=-3.4!,f=-2.3!) USER MOD Set 4.1: A 28 MET CE :methyl -153:sc= -0.0103 (180deg=-0.288) USER MOD Set 4.2: A 35 THR OG1 : rot -160:sc= -0.951 USER MOD Set 5.1: A 20 THR OG1 : rot 100:sc= -0.366 USER MOD Set 5.2: B 108 LYS NZ :NH3+ -176:sc= 1.25 (180deg=-0.0312) USER MOD Set 6.1: A 17 TYR OH : rot -107:sc= 0.409 USER MOD Set 6.2: A 83 SER OG : rot -70:sc= 0.76 USER MOD Single : A 1 GLY N :NH3+ 139:sc= 0.0169 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS :FLIP no HD1:sc=-0.00111 F(o=-0.85,f=-0.0011) USER MOD Single : A 15 LYS NZ :NH3+ 143:sc= 0.0166 (180deg=-0.173) USER MOD Single : A 16 LYS NZ :NH3+ -142:sc= 0.0549 (180deg=-2.36!) USER MOD Single : A 27 TYR OH : rot 30:sc= 0 USER MOD Single : A 31 SER OG : rot 97:sc= 1.2 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.764 X(o=-0.76,f=-0.44) USER MOD Single : A 39 MET CE :methyl 151:sc= -0.124 (180deg=-0.311) USER MOD Single : A 50 SER OG : rot 180:sc= 0.7 USER MOD Single : A 64 ASN : amide:sc= -3.84! C(o=-3.8!,f=-6.6!) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.077 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.5 K(o=-0.5,f=-1.9) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -150:sc= -0.577 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0253 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.912 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 102 GLN : amide:sc= 0.626 K(o=0.63,f=-1.9) USER MOD Single : B 103 HIS : no HD1:sc= 0.936 K(o=0.94,f=-5.2!) USER MOD Single : B 104 THR OG1 : rot 130:sc= -0.867 USER MOD Single : B 105 GLN : amide:sc= -0.0197 K(o=-0.02,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.028 21.195 -0.032 1.00 1.49 N ATOM 2 CA GLY A 1 2.906 20.440 -0.633 1.00 1.50 C ATOM 3 C GLY A 1 2.530 19.224 0.182 1.00 1.34 C ATOM 4 O GLY A 1 3.394 18.575 0.776 1.00 1.45 O ATOM 0 H1 GLY A 1 4.678 21.506 -0.782 1.00 1.49 H new ATOM 0 H2 GLY A 1 3.657 22.026 0.471 1.00 1.49 H new ATOM 0 H3 GLY A 1 4.538 20.584 0.637 1.00 1.49 H new ATOM 0 HA2 GLY A 1 2.039 21.094 -0.726 1.00 1.50 H new ATOM 0 HA3 GLY A 1 3.180 20.128 -1.641 1.00 1.50 H new ATOM 10 N GLY A 2 1.239 18.923 0.215 1.00 1.30 N ATOM 11 CA GLY A 2 0.756 17.780 0.960 1.00 1.18 C ATOM 12 C GLY A 2 -0.361 17.067 0.233 1.00 1.19 C ATOM 13 O GLY A 2 -0.215 15.914 -0.168 1.00 1.20 O ATOM 0 H GLY A 2 0.513 19.455 -0.265 1.00 1.30 H new ATOM 0 HA2 GLY A 2 1.578 17.086 1.134 1.00 1.18 H new ATOM 0 HA3 GLY A 2 0.403 18.107 1.938 1.00 1.18 H new ATOM 17 N SER A 3 -1.478 17.757 0.058 1.00 1.25 N ATOM 18 CA SER A 3 -2.623 17.193 -0.635 1.00 1.29 C ATOM 19 C SER A 3 -2.580 17.564 -2.117 1.00 1.36 C ATOM 20 O SER A 3 -2.959 18.673 -2.504 1.00 1.54 O ATOM 21 CB SER A 3 -3.926 17.692 0.001 1.00 1.41 C ATOM 22 OG SER A 3 -3.958 17.412 1.392 1.00 1.39 O ATOM 0 H SER A 3 -1.615 18.712 0.388 1.00 1.25 H new ATOM 0 HA SER A 3 -2.585 16.107 -0.547 1.00 1.29 H new ATOM 0 HB2 SER A 3 -4.024 18.766 -0.159 1.00 1.41 H new ATOM 0 HB3 SER A 3 -4.777 17.218 -0.488 1.00 1.41 H new ATOM 0 HG SER A 3 -4.798 17.742 1.773 1.00 1.39 H new ATOM 28 N MET A 4 -2.102 16.638 -2.938 1.00 1.28 N ATOM 29 CA MET A 4 -2.000 16.864 -4.373 1.00 1.37 C ATOM 30 C MET A 4 -2.422 15.624 -5.154 1.00 1.38 C ATOM 31 O MET A 4 -3.188 15.714 -6.113 1.00 1.57 O ATOM 32 CB MET A 4 -0.569 17.263 -4.757 1.00 1.36 C ATOM 33 CG MET A 4 -0.376 17.463 -6.251 1.00 1.51 C ATOM 34 SD MET A 4 -1.566 18.622 -6.951 1.00 1.75 S ATOM 35 CE MET A 4 -1.297 18.345 -8.700 1.00 1.95 C ATOM 0 H MET A 4 -1.778 15.720 -2.633 1.00 1.28 H new ATOM 0 HA MET A 4 -2.675 17.680 -4.630 1.00 1.37 H new ATOM 0 HB2 MET A 4 -0.306 18.185 -4.238 1.00 1.36 H new ATOM 0 HB3 MET A 4 0.120 16.493 -4.409 1.00 1.36 H new ATOM 0 HG2 MET A 4 0.634 17.827 -6.438 1.00 1.51 H new ATOM 0 HG3 MET A 4 -0.468 16.502 -6.758 1.00 1.51 H new ATOM 0 HE1 MET A 4 -1.960 18.990 -9.277 1.00 1.95 H new ATOM 0 HE2 MET A 4 -0.261 18.574 -8.950 1.00 1.95 H new ATOM 0 HE3 MET A 4 -1.506 17.302 -8.940 1.00 1.95 H new ATOM 45 N ARG A 5 -1.925 14.468 -4.739 1.00 1.21 N ATOM 46 CA ARG A 5 -2.249 13.217 -5.413 1.00 1.23 C ATOM 47 C ARG A 5 -3.608 12.697 -4.962 1.00 1.21 C ATOM 48 O ARG A 5 -3.840 12.509 -3.769 1.00 1.14 O ATOM 49 CB ARG A 5 -1.172 12.166 -5.137 1.00 1.15 C ATOM 50 CG ARG A 5 -0.024 12.174 -6.138 1.00 1.23 C ATOM 51 CD ARG A 5 0.659 13.531 -6.200 1.00 1.22 C ATOM 52 NE ARG A 5 2.025 13.445 -6.714 1.00 1.29 N ATOM 53 CZ ARG A 5 3.104 13.863 -6.048 1.00 1.34 C ATOM 54 NH1 ARG A 5 2.988 14.366 -4.823 1.00 1.32 N ATOM 55 NH2 ARG A 5 4.306 13.769 -6.605 1.00 1.48 N ATOM 0 H ARG A 5 -1.297 14.369 -3.941 1.00 1.21 H new ATOM 0 HA ARG A 5 -2.288 13.411 -6.485 1.00 1.23 H new ATOM 0 HB2 ARG A 5 -0.769 12.328 -4.137 1.00 1.15 H new ATOM 0 HB3 ARG A 5 -1.634 11.179 -5.138 1.00 1.15 H new ATOM 0 HG2 ARG A 5 0.705 11.412 -5.862 1.00 1.23 H new ATOM 0 HG3 ARG A 5 -0.401 11.911 -7.126 1.00 1.23 H new ATOM 0 HD2 ARG A 5 0.077 14.199 -6.834 1.00 1.22 H new ATOM 0 HD3 ARG A 5 0.676 13.972 -5.203 1.00 1.22 H new ATOM 0 HE ARG A 5 2.162 13.040 -7.640 1.00 1.29 H new ATOM 0 HH11 ARG A 5 2.069 14.435 -4.385 1.00 1.32 H new ATOM 0 HH12 ARG A 5 3.818 14.683 -4.321 1.00 1.32 H new ATOM 0 HH21 ARG A 5 4.405 13.377 -7.542 1.00 1.48 H new ATOM 0 HH22 ARG A 5 5.130 14.088 -6.096 1.00 1.48 H new ATOM 69 N PRO A 6 -4.525 12.460 -5.911 1.00 1.28 N ATOM 70 CA PRO A 6 -5.870 11.960 -5.606 1.00 1.28 C ATOM 71 C PRO A 6 -5.834 10.540 -5.045 1.00 1.20 C ATOM 72 O PRO A 6 -5.249 9.641 -5.654 1.00 1.19 O ATOM 73 CB PRO A 6 -6.574 11.991 -6.964 1.00 1.41 C ATOM 74 CG PRO A 6 -5.486 11.895 -7.955 1.00 1.43 C ATOM 75 CD PRO A 6 -4.325 12.638 -7.361 1.00 1.37 C ATOM 0 HA PRO A 6 -6.373 12.555 -4.844 1.00 1.28 H new ATOM 0 HB2 PRO A 6 -7.275 11.163 -7.065 1.00 1.41 H new ATOM 0 HB3 PRO A 6 -7.146 12.910 -7.092 1.00 1.41 H new ATOM 0 HG2 PRO A 6 -5.226 10.855 -8.150 1.00 1.43 H new ATOM 0 HG3 PRO A 6 -5.785 12.333 -8.907 1.00 1.43 H new ATOM 0 HD2 PRO A 6 -3.371 12.226 -7.690 1.00 1.37 H new ATOM 0 HD3 PRO A 6 -4.332 13.691 -7.643 1.00 1.37 H new ATOM 83 N PRO A 7 -6.451 10.313 -3.871 1.00 1.16 N ATOM 84 CA PRO A 7 -6.468 8.996 -3.240 1.00 1.08 C ATOM 85 C PRO A 7 -7.233 7.959 -4.049 1.00 1.12 C ATOM 86 O PRO A 7 -8.088 8.288 -4.874 1.00 1.23 O ATOM 87 CB PRO A 7 -7.178 9.223 -1.901 1.00 1.05 C ATOM 88 CG PRO A 7 -7.189 10.696 -1.695 1.00 1.12 C ATOM 89 CD PRO A 7 -7.176 11.310 -3.067 1.00 1.20 C ATOM 0 HA PRO A 7 -5.455 8.605 -3.144 1.00 1.08 H new ATOM 0 HB2 PRO A 7 -8.192 8.823 -1.923 1.00 1.05 H new ATOM 0 HB3 PRO A 7 -6.654 8.718 -1.090 1.00 1.05 H new ATOM 0 HG2 PRO A 7 -8.074 11.005 -1.138 1.00 1.12 H new ATOM 0 HG3 PRO A 7 -6.322 11.015 -1.117 1.00 1.12 H new ATOM 0 HD2 PRO A 7 -8.185 11.476 -3.444 1.00 1.20 H new ATOM 0 HD3 PRO A 7 -6.671 12.276 -3.072 1.00 1.20 H new ATOM 97 N ILE A 8 -6.905 6.709 -3.801 1.00 1.04 N ATOM 98 CA ILE A 8 -7.538 5.586 -4.455 1.00 1.07 C ATOM 99 C ILE A 8 -8.640 5.031 -3.557 1.00 1.05 C ATOM 100 O ILE A 8 -8.379 4.193 -2.697 1.00 0.97 O ATOM 101 CB ILE A 8 -6.506 4.479 -4.742 1.00 1.04 C ATOM 102 CG1 ILE A 8 -5.309 5.047 -5.507 1.00 1.08 C ATOM 103 CG2 ILE A 8 -7.136 3.331 -5.507 1.00 1.09 C ATOM 104 CD1 ILE A 8 -5.530 5.188 -6.998 1.00 1.19 C ATOM 0 H ILE A 8 -6.183 6.442 -3.132 1.00 1.04 H new ATOM 0 HA ILE A 8 -7.964 5.924 -5.400 1.00 1.07 H new ATOM 0 HB ILE A 8 -6.152 4.090 -3.787 1.00 1.04 H new ATOM 0 HG12 ILE A 8 -5.061 6.025 -5.095 1.00 1.08 H new ATOM 0 HG13 ILE A 8 -4.447 4.402 -5.339 1.00 1.08 H new ATOM 0 HG21 ILE A 8 -6.385 2.564 -5.696 1.00 1.09 H new ATOM 0 HG22 ILE A 8 -7.949 2.905 -4.920 1.00 1.09 H new ATOM 0 HG23 ILE A 8 -7.527 3.697 -6.456 1.00 1.09 H new ATOM 0 HD11 ILE A 8 -4.633 5.597 -7.462 1.00 1.19 H new ATOM 0 HD12 ILE A 8 -5.747 4.210 -7.428 1.00 1.19 H new ATOM 0 HD13 ILE A 8 -6.370 5.858 -7.180 1.00 1.19 H new ATOM 116 N ILE A 9 -9.853 5.551 -3.712 1.00 1.12 N ATOM 117 CA ILE A 9 -10.988 5.112 -2.916 1.00 1.12 C ATOM 118 C ILE A 9 -11.403 3.697 -3.315 1.00 1.13 C ATOM 119 O ILE A 9 -12.096 3.490 -4.315 1.00 1.21 O ATOM 120 CB ILE A 9 -12.192 6.072 -3.074 1.00 1.23 C ATOM 121 CG1 ILE A 9 -11.953 7.421 -2.389 1.00 1.23 C ATOM 122 CG2 ILE A 9 -13.455 5.444 -2.502 1.00 1.26 C ATOM 123 CD1 ILE A 9 -10.643 8.112 -2.705 1.00 1.20 C ATOM 0 H ILE A 9 -10.074 6.282 -4.388 1.00 1.12 H new ATOM 0 HA ILE A 9 -10.679 5.117 -1.871 1.00 1.12 H new ATOM 0 HB ILE A 9 -12.312 6.248 -4.143 1.00 1.23 H new ATOM 0 HG12 ILE A 9 -12.768 8.092 -2.661 1.00 1.23 H new ATOM 0 HG13 ILE A 9 -12.010 7.272 -1.311 1.00 1.23 H new ATOM 0 HG21 ILE A 9 -14.291 6.133 -2.622 1.00 1.26 H new ATOM 0 HG22 ILE A 9 -13.671 4.516 -3.031 1.00 1.26 H new ATOM 0 HG23 ILE A 9 -13.309 5.232 -1.443 1.00 1.26 H new ATOM 0 HD11 ILE A 9 -10.589 9.056 -2.162 1.00 1.20 H new ATOM 0 HD12 ILE A 9 -9.813 7.473 -2.405 1.00 1.20 H new ATOM 0 HD13 ILE A 9 -10.583 8.306 -3.776 1.00 1.20 H new ATOM 135 N ILE A 10 -10.941 2.731 -2.545 1.00 1.03 N ATOM 136 CA ILE A 10 -11.244 1.338 -2.786 1.00 1.03 C ATOM 137 C ILE A 10 -12.436 0.883 -1.967 1.00 1.04 C ATOM 138 O ILE A 10 -12.503 1.121 -0.764 1.00 0.99 O ATOM 139 CB ILE A 10 -10.042 0.454 -2.436 1.00 0.93 C ATOM 140 CG1 ILE A 10 -8.800 0.980 -3.133 1.00 0.93 C ATOM 141 CG2 ILE A 10 -10.305 -0.985 -2.842 1.00 0.94 C ATOM 142 CD1 ILE A 10 -7.508 0.433 -2.575 1.00 0.84 C ATOM 0 H ILE A 10 -10.344 2.893 -1.734 1.00 1.03 H new ATOM 0 HA ILE A 10 -11.479 1.240 -3.846 1.00 1.03 H new ATOM 0 HB ILE A 10 -9.884 0.482 -1.358 1.00 0.93 H new ATOM 0 HG12 ILE A 10 -8.859 0.735 -4.193 1.00 0.93 H new ATOM 0 HG13 ILE A 10 -8.786 2.067 -3.057 1.00 0.93 H new ATOM 0 HG21 ILE A 10 -9.441 -1.599 -2.586 1.00 0.94 H new ATOM 0 HG22 ILE A 10 -11.184 -1.357 -2.315 1.00 0.94 H new ATOM 0 HG23 ILE A 10 -10.479 -1.034 -3.917 1.00 0.94 H new ATOM 0 HD11 ILE A 10 -6.667 0.855 -3.125 1.00 0.84 H new ATOM 0 HD12 ILE A 10 -7.424 0.701 -1.522 1.00 0.84 H new ATOM 0 HD13 ILE A 10 -7.499 -0.652 -2.675 1.00 0.84 H new ATOM 154 N HIS A 11 -13.365 0.230 -2.631 1.00 1.13 N ATOM 155 CA HIS A 11 -14.555 -0.283 -1.982 1.00 1.17 C ATOM 156 C HIS A 11 -14.274 -1.671 -1.415 1.00 1.10 C ATOM 157 O HIS A 11 -13.522 -2.444 -2.003 1.00 1.08 O ATOM 158 CB HIS A 11 -15.704 -0.343 -2.987 1.00 1.31 C ATOM 159 CG HIS A 11 -16.281 0.997 -3.329 1.00 1.40 C ATOM 160 ND1 HIS A 11 -16.086 2.193 -2.730 1.00 1.57 N flip ATOM 161 CD2 HIS A 11 -17.157 1.157 -4.376 1.00 1.41 C flip ATOM 162 CE1 HIS A 11 -16.849 3.107 -3.408 1.00 1.64 C flip ATOM 163 NE2 HIS A 11 -17.474 2.439 -4.387 1.00 1.54 N flip ATOM 0 H HIS A 11 -13.319 0.040 -3.632 1.00 1.13 H new ATOM 0 HA HIS A 11 -14.837 0.380 -1.164 1.00 1.17 H new ATOM 0 HB2 HIS A 11 -15.350 -0.819 -3.901 1.00 1.31 H new ATOM 0 HB3 HIS A 11 -16.494 -0.976 -2.583 1.00 1.31 H new ATOM 0 HD2 HIS A 11 -17.513 0.392 -5.050 1.00 1.41 H new ATOM 0 HE1 HIS A 11 -16.931 4.163 -3.194 1.00 1.64 H new ATOM 0 HE2 HIS A 11 -18.114 2.867 -5.056 1.00 1.54 H new ATOM 171 N ARG A 12 -14.871 -1.975 -0.273 1.00 1.10 N ATOM 172 CA ARG A 12 -14.688 -3.255 0.381 1.00 1.06 C ATOM 173 C ARG A 12 -15.305 -4.393 -0.431 1.00 1.10 C ATOM 174 O ARG A 12 -16.348 -4.226 -1.065 1.00 1.17 O ATOM 175 CB ARG A 12 -15.329 -3.191 1.763 1.00 1.08 C ATOM 176 CG ARG A 12 -16.815 -2.898 1.719 1.00 1.15 C ATOM 177 CD ARG A 12 -17.444 -3.117 3.075 1.00 1.20 C ATOM 178 NE ARG A 12 -18.893 -2.923 3.051 1.00 1.31 N ATOM 179 CZ ARG A 12 -19.620 -2.585 4.116 1.00 1.44 C ATOM 180 NH1 ARG A 12 -19.036 -2.372 5.290 1.00 1.51 N ATOM 181 NH2 ARG A 12 -20.934 -2.453 4.004 1.00 1.56 N ATOM 0 H ARG A 12 -15.495 -1.339 0.224 1.00 1.10 H new ATOM 0 HA ARG A 12 -13.620 -3.458 0.467 1.00 1.06 H new ATOM 0 HB2 ARG A 12 -15.167 -4.139 2.276 1.00 1.08 H new ATOM 0 HB3 ARG A 12 -14.831 -2.421 2.352 1.00 1.08 H new ATOM 0 HG2 ARG A 12 -16.978 -1.869 1.399 1.00 1.15 H new ATOM 0 HG3 ARG A 12 -17.296 -3.541 0.982 1.00 1.15 H new ATOM 0 HD2 ARG A 12 -17.220 -4.127 3.418 1.00 1.20 H new ATOM 0 HD3 ARG A 12 -16.999 -2.430 3.795 1.00 1.20 H new ATOM 0 HE ARG A 12 -19.378 -3.055 2.163 1.00 1.31 H new ATOM 0 HH11 ARG A 12 -18.025 -2.467 5.381 1.00 1.51 H new ATOM 0 HH12 ARG A 12 -19.599 -2.114 6.100 1.00 1.51 H new ATOM 0 HH21 ARG A 12 -21.387 -2.610 3.104 1.00 1.56 H new ATOM 0 HH22 ARG A 12 -21.492 -2.194 4.818 1.00 1.56 H new ATOM 195 N ALA A 13 -14.645 -5.539 -0.419 1.00 1.11 N ATOM 196 CA ALA A 13 -15.122 -6.713 -1.131 1.00 1.17 C ATOM 197 C ALA A 13 -15.151 -7.907 -0.189 1.00 1.23 C ATOM 198 O ALA A 13 -14.222 -8.720 -0.163 1.00 1.93 O ATOM 199 CB ALA A 13 -14.243 -7.000 -2.336 1.00 1.12 C ATOM 0 H ALA A 13 -13.768 -5.682 0.082 1.00 1.11 H new ATOM 0 HA ALA A 13 -16.133 -6.524 -1.491 1.00 1.17 H new ATOM 0 HB1 ALA A 13 -14.616 -7.882 -2.856 1.00 1.12 H new ATOM 0 HB2 ALA A 13 -14.262 -6.145 -3.012 1.00 1.12 H new ATOM 0 HB3 ALA A 13 -13.220 -7.179 -2.006 1.00 1.12 H new ATOM 205 N GLY A 14 -16.200 -7.980 0.618 1.00 1.35 N ATOM 206 CA GLY A 14 -16.336 -9.064 1.564 1.00 1.44 C ATOM 207 C GLY A 14 -15.464 -8.851 2.778 1.00 1.47 C ATOM 208 O GLY A 14 -15.934 -8.414 3.828 1.00 1.64 O ATOM 0 H GLY A 14 -16.962 -7.303 0.633 1.00 1.35 H new ATOM 0 HA2 GLY A 14 -17.378 -9.150 1.873 1.00 1.44 H new ATOM 0 HA3 GLY A 14 -16.068 -10.004 1.083 1.00 1.44 H new ATOM 212 N LYS A 15 -14.182 -9.143 2.624 1.00 1.47 N ATOM 213 CA LYS A 15 -13.229 -8.974 3.707 1.00 1.64 C ATOM 214 C LYS A 15 -11.910 -8.411 3.194 1.00 1.33 C ATOM 215 O LYS A 15 -11.013 -8.113 3.984 1.00 1.36 O ATOM 216 CB LYS A 15 -12.981 -10.303 4.430 1.00 2.01 C ATOM 217 CG LYS A 15 -13.725 -10.427 5.748 1.00 2.59 C ATOM 218 CD LYS A 15 -15.138 -10.929 5.546 1.00 2.85 C ATOM 219 CE LYS A 15 -15.995 -10.709 6.782 1.00 3.53 C ATOM 220 NZ LYS A 15 -16.305 -9.267 6.995 1.00 4.00 N ATOM 0 H LYS A 15 -13.778 -9.499 1.758 1.00 1.47 H new ATOM 0 HA LYS A 15 -13.659 -8.264 4.414 1.00 1.64 H new ATOM 0 HB2 LYS A 15 -13.278 -11.123 3.776 1.00 2.01 H new ATOM 0 HB3 LYS A 15 -11.912 -10.413 4.614 1.00 2.01 H new ATOM 0 HG2 LYS A 15 -13.187 -11.108 6.407 1.00 2.59 H new ATOM 0 HG3 LYS A 15 -13.751 -9.457 6.245 1.00 2.59 H new ATOM 0 HD2 LYS A 15 -15.588 -10.417 4.695 1.00 2.85 H new ATOM 0 HD3 LYS A 15 -15.116 -11.991 5.303 1.00 2.85 H new ATOM 0 HE2 LYS A 15 -16.925 -11.269 6.683 1.00 3.53 H new ATOM 0 HE3 LYS A 15 -15.477 -11.102 7.657 1.00 3.53 H new ATOM 0 HZ1 LYS A 15 -17.275 -9.170 7.358 1.00 4.00 H new ATOM 0 HZ2 LYS A 15 -15.636 -8.866 7.683 1.00 4.00 H new ATOM 0 HZ3 LYS A 15 -16.221 -8.757 6.093 1.00 4.00 H new ATOM 234 N LYS A 16 -11.788 -8.257 1.878 1.00 1.18 N ATOM 235 CA LYS A 16 -10.559 -7.733 1.287 1.00 0.94 C ATOM 236 C LYS A 16 -10.861 -6.591 0.320 1.00 0.86 C ATOM 237 O LYS A 16 -12.021 -6.329 0.006 1.00 1.07 O ATOM 238 CB LYS A 16 -9.781 -8.842 0.568 1.00 1.08 C ATOM 239 CG LYS A 16 -9.175 -9.870 1.507 1.00 1.43 C ATOM 240 CD LYS A 16 -8.281 -10.852 0.767 1.00 1.71 C ATOM 241 CE LYS A 16 -6.873 -10.300 0.567 1.00 2.07 C ATOM 242 NZ LYS A 16 -6.812 -9.254 -0.491 1.00 3.06 N ATOM 0 H LYS A 16 -12.519 -8.486 1.204 1.00 1.18 H new ATOM 0 HA LYS A 16 -9.941 -7.345 2.097 1.00 0.94 H new ATOM 0 HB2 LYS A 16 -10.449 -9.349 -0.129 1.00 1.08 H new ATOM 0 HB3 LYS A 16 -8.985 -8.390 -0.024 1.00 1.08 H new ATOM 0 HG2 LYS A 16 -8.596 -9.362 2.278 1.00 1.43 H new ATOM 0 HG3 LYS A 16 -9.972 -10.414 2.013 1.00 1.43 H new ATOM 0 HD2 LYS A 16 -8.229 -11.787 1.325 1.00 1.71 H new ATOM 0 HD3 LYS A 16 -8.721 -11.084 -0.203 1.00 1.71 H new ATOM 0 HE2 LYS A 16 -6.514 -9.882 1.507 1.00 2.07 H new ATOM 0 HE3 LYS A 16 -6.201 -11.117 0.304 1.00 2.07 H new ATOM 0 HZ1 LYS A 16 -5.930 -9.359 -1.033 1.00 3.06 H new ATOM 0 HZ2 LYS A 16 -7.626 -9.359 -1.130 1.00 3.06 H new ATOM 0 HZ3 LYS A 16 -6.837 -8.312 -0.050 1.00 3.06 H new ATOM 256 N TYR A 17 -9.814 -5.905 -0.132 1.00 0.70 N ATOM 257 CA TYR A 17 -9.967 -4.790 -1.066 1.00 0.74 C ATOM 258 C TYR A 17 -9.493 -5.169 -2.460 1.00 0.83 C ATOM 259 O TYR A 17 -9.642 -4.401 -3.411 1.00 0.92 O ATOM 260 CB TYR A 17 -9.197 -3.573 -0.573 1.00 0.70 C ATOM 261 CG TYR A 17 -9.635 -3.117 0.792 1.00 0.66 C ATOM 262 CD1 TYR A 17 -10.685 -2.223 0.948 1.00 0.73 C ATOM 263 CD2 TYR A 17 -9.003 -3.597 1.922 1.00 0.60 C ATOM 264 CE1 TYR A 17 -11.094 -1.823 2.203 1.00 0.74 C ATOM 265 CE2 TYR A 17 -9.395 -3.208 3.177 1.00 0.61 C ATOM 266 CZ TYR A 17 -10.445 -2.319 3.319 1.00 0.69 C ATOM 267 OH TYR A 17 -10.849 -1.925 4.573 1.00 0.73 O ATOM 0 H TYR A 17 -8.849 -6.101 0.133 1.00 0.70 H new ATOM 0 HA TYR A 17 -11.028 -4.546 -1.118 1.00 0.74 H new ATOM 0 HB2 TYR A 17 -8.133 -3.808 -0.548 1.00 0.70 H new ATOM 0 HB3 TYR A 17 -9.326 -2.756 -1.282 1.00 0.70 H new ATOM 0 HD1 TYR A 17 -11.189 -1.835 0.075 1.00 0.73 H new ATOM 0 HD2 TYR A 17 -8.184 -4.293 1.815 1.00 0.60 H new ATOM 0 HE1 TYR A 17 -11.914 -1.129 2.313 1.00 0.74 H new ATOM 0 HE2 TYR A 17 -8.887 -3.593 4.049 1.00 0.61 H new ATOM 0 HH TYR A 17 -10.188 -1.307 4.950 1.00 0.73 H new ATOM 277 N GLY A 18 -8.890 -6.339 -2.575 1.00 0.83 N ATOM 278 CA GLY A 18 -8.439 -6.796 -3.868 1.00 0.95 C ATOM 279 C GLY A 18 -6.988 -6.509 -4.160 1.00 0.92 C ATOM 280 O GLY A 18 -6.587 -6.477 -5.322 1.00 1.03 O ATOM 0 H GLY A 18 -8.706 -6.977 -1.801 1.00 0.83 H new ATOM 0 HA2 GLY A 18 -8.605 -7.871 -3.938 1.00 0.95 H new ATOM 0 HA3 GLY A 18 -9.051 -6.328 -4.639 1.00 0.95 H new ATOM 284 N PHE A 19 -6.197 -6.263 -3.140 1.00 0.79 N ATOM 285 CA PHE A 19 -4.784 -6.016 -3.369 1.00 0.79 C ATOM 286 C PHE A 19 -3.903 -6.584 -2.277 1.00 0.72 C ATOM 287 O PHE A 19 -4.358 -6.988 -1.203 1.00 0.65 O ATOM 288 CB PHE A 19 -4.467 -4.529 -3.581 1.00 0.80 C ATOM 289 CG PHE A 19 -4.519 -3.662 -2.349 1.00 0.71 C ATOM 290 CD1 PHE A 19 -5.718 -3.136 -1.894 1.00 0.70 C ATOM 291 CD2 PHE A 19 -3.353 -3.357 -1.659 1.00 0.67 C ATOM 292 CE1 PHE A 19 -5.752 -2.319 -0.776 1.00 0.64 C ATOM 293 CE2 PHE A 19 -3.383 -2.545 -0.542 1.00 0.59 C ATOM 294 CZ PHE A 19 -4.584 -2.027 -0.099 1.00 0.58 C ATOM 0 H PHE A 19 -6.494 -6.228 -2.165 1.00 0.79 H new ATOM 0 HA PHE A 19 -4.554 -6.545 -4.294 1.00 0.79 H new ATOM 0 HB2 PHE A 19 -3.471 -4.448 -4.017 1.00 0.80 H new ATOM 0 HB3 PHE A 19 -5.168 -4.129 -4.313 1.00 0.80 H new ATOM 0 HD1 PHE A 19 -6.635 -3.365 -2.416 1.00 0.70 H new ATOM 0 HD2 PHE A 19 -2.411 -3.760 -2.000 1.00 0.67 H new ATOM 0 HE1 PHE A 19 -6.691 -1.910 -0.434 1.00 0.64 H new ATOM 0 HE2 PHE A 19 -2.468 -2.315 -0.016 1.00 0.59 H new ATOM 0 HZ PHE A 19 -4.610 -1.394 0.776 1.00 0.58 H new ATOM 304 N THR A 20 -2.630 -6.598 -2.591 1.00 0.76 N ATOM 305 CA THR A 20 -1.608 -7.105 -1.697 1.00 0.74 C ATOM 306 C THR A 20 -0.729 -5.969 -1.207 1.00 0.71 C ATOM 307 O THR A 20 -0.091 -5.282 -2.004 1.00 0.80 O ATOM 308 CB THR A 20 -0.727 -8.150 -2.407 1.00 0.87 C ATOM 309 OG1 THR A 20 -1.539 -9.250 -2.841 1.00 0.92 O ATOM 310 CG2 THR A 20 0.396 -8.662 -1.501 1.00 0.89 C ATOM 0 H THR A 20 -2.268 -6.256 -3.481 1.00 0.76 H new ATOM 0 HA THR A 20 -2.108 -7.576 -0.851 1.00 0.74 H new ATOM 0 HB THR A 20 -0.263 -7.666 -3.266 1.00 0.87 H new ATOM 0 HG1 THR A 20 -1.739 -9.152 -3.795 1.00 0.92 H new ATOM 0 HG21 THR A 20 0.993 -9.397 -2.041 1.00 0.89 H new ATOM 0 HG22 THR A 20 1.031 -7.828 -1.202 1.00 0.89 H new ATOM 0 HG23 THR A 20 -0.035 -9.126 -0.614 1.00 0.89 H new ATOM 318 N LEU A 21 -0.704 -5.770 0.092 1.00 0.61 N ATOM 319 CA LEU A 21 0.109 -4.729 0.677 1.00 0.60 C ATOM 320 C LEU A 21 1.404 -5.349 1.152 1.00 0.67 C ATOM 321 O LEU A 21 1.399 -6.396 1.801 1.00 0.65 O ATOM 322 CB LEU A 21 -0.623 -4.048 1.834 1.00 0.47 C ATOM 323 CG LEU A 21 0.156 -2.925 2.521 1.00 0.47 C ATOM 324 CD1 LEU A 21 0.559 -1.854 1.520 1.00 0.52 C ATOM 325 CD2 LEU A 21 -0.668 -2.321 3.640 1.00 0.39 C ATOM 0 H LEU A 21 -1.240 -6.318 0.765 1.00 0.61 H new ATOM 0 HA LEU A 21 0.316 -3.962 -0.069 1.00 0.60 H new ATOM 0 HB2 LEU A 21 -1.563 -3.642 1.460 1.00 0.47 H new ATOM 0 HB3 LEU A 21 -0.876 -4.803 2.579 1.00 0.47 H new ATOM 0 HG LEU A 21 1.065 -3.350 2.947 1.00 0.47 H new ATOM 0 HD11 LEU A 21 1.112 -1.066 2.032 1.00 0.52 H new ATOM 0 HD12 LEU A 21 1.189 -2.296 0.748 1.00 0.52 H new ATOM 0 HD13 LEU A 21 -0.334 -1.431 1.061 1.00 0.52 H new ATOM 0 HD21 LEU A 21 -0.101 -1.523 4.120 1.00 0.39 H new ATOM 0 HD22 LEU A 21 -1.593 -1.914 3.232 1.00 0.39 H new ATOM 0 HD23 LEU A 21 -0.904 -3.091 4.375 1.00 0.39 H new ATOM 337 N ARG A 22 2.513 -4.737 0.807 1.00 0.79 N ATOM 338 CA ARG A 22 3.795 -5.269 1.193 1.00 0.89 C ATOM 339 C ARG A 22 4.696 -4.189 1.766 1.00 0.90 C ATOM 340 O ARG A 22 4.676 -3.041 1.325 1.00 0.94 O ATOM 341 CB ARG A 22 4.463 -5.929 -0.008 1.00 1.03 C ATOM 342 CG ARG A 22 3.842 -7.251 -0.417 1.00 1.03 C ATOM 343 CD ARG A 22 4.928 -8.237 -0.777 1.00 1.21 C ATOM 344 NE ARG A 22 6.071 -8.106 0.124 1.00 1.31 N ATOM 345 CZ ARG A 22 7.338 -8.146 -0.269 1.00 1.47 C ATOM 346 NH1 ARG A 22 7.646 -8.510 -1.505 1.00 1.60 N ATOM 347 NH2 ARG A 22 8.304 -7.858 0.592 1.00 1.66 N ATOM 0 H ARG A 22 2.552 -3.875 0.263 1.00 0.79 H new ATOM 0 HA ARG A 22 3.632 -6.013 1.973 1.00 0.89 H new ATOM 0 HB2 ARG A 22 4.421 -5.244 -0.855 1.00 1.03 H new ATOM 0 HB3 ARG A 22 5.517 -6.091 0.220 1.00 1.03 H new ATOM 0 HG2 ARG A 22 3.235 -7.646 0.398 1.00 1.03 H new ATOM 0 HG3 ARG A 22 3.176 -7.103 -1.267 1.00 1.03 H new ATOM 0 HD2 ARG A 22 4.534 -9.252 -0.726 1.00 1.21 H new ATOM 0 HD3 ARG A 22 5.249 -8.071 -1.805 1.00 1.21 H new ATOM 0 HE ARG A 22 5.883 -7.976 1.118 1.00 1.31 H new ATOM 0 HH11 ARG A 22 6.907 -8.762 -2.162 1.00 1.60 H new ATOM 0 HH12 ARG A 22 8.622 -8.538 -1.800 1.00 1.60 H new ATOM 0 HH21 ARG A 22 8.072 -7.607 1.553 1.00 1.66 H new ATOM 0 HH22 ARG A 22 9.279 -7.888 0.293 1.00 1.66 H new ATOM 361 N ALA A 23 5.474 -4.571 2.762 1.00 0.90 N ATOM 362 CA ALA A 23 6.402 -3.661 3.401 1.00 0.92 C ATOM 363 C ALA A 23 7.816 -3.966 2.926 1.00 1.06 C ATOM 364 O ALA A 23 8.320 -5.082 3.113 1.00 1.07 O ATOM 365 CB ALA A 23 6.298 -3.772 4.915 1.00 0.90 C ATOM 0 H ALA A 23 5.480 -5.515 3.148 1.00 0.90 H new ATOM 0 HA ALA A 23 6.152 -2.636 3.126 1.00 0.92 H new ATOM 0 HB1 ALA A 23 7.002 -3.082 5.380 1.00 0.90 H new ATOM 0 HB2 ALA A 23 5.284 -3.523 5.229 1.00 0.90 H new ATOM 0 HB3 ALA A 23 6.533 -4.791 5.222 1.00 0.90 H new ATOM 371 N ILE A 24 8.430 -2.985 2.282 1.00 1.19 N ATOM 372 CA ILE A 24 9.780 -3.132 1.761 1.00 1.33 C ATOM 373 C ILE A 24 10.770 -2.296 2.567 1.00 1.38 C ATOM 374 O ILE A 24 10.559 -1.103 2.786 1.00 1.29 O ATOM 375 CB ILE A 24 9.861 -2.736 0.266 1.00 1.38 C ATOM 376 CG1 ILE A 24 9.116 -1.422 0.006 1.00 1.29 C ATOM 377 CG2 ILE A 24 9.297 -3.851 -0.605 1.00 1.42 C ATOM 378 CD1 ILE A 24 9.476 -0.771 -1.313 1.00 1.35 C ATOM 0 H ILE A 24 8.011 -2.072 2.107 1.00 1.19 H new ATOM 0 HA ILE A 24 10.044 -4.185 1.853 1.00 1.33 H new ATOM 0 HB ILE A 24 10.909 -2.586 0.008 1.00 1.38 H new ATOM 0 HG12 ILE A 24 8.043 -1.612 0.027 1.00 1.29 H new ATOM 0 HG13 ILE A 24 9.332 -0.725 0.816 1.00 1.29 H new ATOM 0 HG21 ILE A 24 9.360 -3.560 -1.654 1.00 1.42 H new ATOM 0 HG22 ILE A 24 9.872 -4.763 -0.446 1.00 1.42 H new ATOM 0 HG23 ILE A 24 8.255 -4.028 -0.339 1.00 1.42 H new ATOM 0 HD11 ILE A 24 8.911 0.154 -1.429 1.00 1.35 H new ATOM 0 HD12 ILE A 24 10.543 -0.548 -1.330 1.00 1.35 H new ATOM 0 HD13 ILE A 24 9.234 -1.449 -2.131 1.00 1.35 H new ATOM 390 N ARG A 25 11.839 -2.933 3.022 1.00 1.56 N ATOM 391 CA ARG A 25 12.863 -2.252 3.805 1.00 1.65 C ATOM 392 C ARG A 25 13.965 -1.717 2.892 1.00 1.72 C ATOM 393 O ARG A 25 14.957 -2.395 2.623 1.00 1.95 O ATOM 394 CB ARG A 25 13.451 -3.193 4.865 1.00 1.73 C ATOM 395 CG ARG A 25 13.876 -4.549 4.322 1.00 1.63 C ATOM 396 CD ARG A 25 14.790 -5.276 5.293 1.00 2.12 C ATOM 397 NE ARG A 25 15.416 -6.445 4.679 1.00 2.58 N ATOM 398 CZ ARG A 25 16.197 -7.303 5.332 1.00 3.34 C ATOM 399 NH1 ARG A 25 16.449 -7.131 6.624 1.00 3.82 N ATOM 400 NH2 ARG A 25 16.732 -8.332 4.687 1.00 4.04 N ATOM 0 H ARG A 25 12.021 -3.924 2.862 1.00 1.56 H new ATOM 0 HA ARG A 25 12.399 -1.409 4.317 1.00 1.65 H new ATOM 0 HB2 ARG A 25 14.313 -2.711 5.325 1.00 1.73 H new ATOM 0 HB3 ARG A 25 12.712 -3.344 5.652 1.00 1.73 H new ATOM 0 HG2 ARG A 25 12.993 -5.157 4.127 1.00 1.63 H new ATOM 0 HG3 ARG A 25 14.388 -4.416 3.369 1.00 1.63 H new ATOM 0 HD2 ARG A 25 15.563 -4.593 5.645 1.00 2.12 H new ATOM 0 HD3 ARG A 25 14.218 -5.587 6.167 1.00 2.12 H new ATOM 0 HE ARG A 25 15.244 -6.614 3.688 1.00 2.58 H new ATOM 0 HH11 ARG A 25 16.044 -6.338 7.122 1.00 3.82 H new ATOM 0 HH12 ARG A 25 17.048 -7.792 7.119 1.00 3.82 H new ATOM 0 HH21 ARG A 25 16.545 -8.464 3.693 1.00 4.04 H new ATOM 0 HH22 ARG A 25 17.331 -8.991 5.185 1.00 4.04 H new ATOM 414 N VAL A 26 13.787 -0.498 2.414 1.00 1.56 N ATOM 415 CA VAL A 26 14.758 0.115 1.525 1.00 1.61 C ATOM 416 C VAL A 26 15.877 0.744 2.333 1.00 1.61 C ATOM 417 O VAL A 26 15.647 1.670 3.105 1.00 1.63 O ATOM 418 CB VAL A 26 14.107 1.183 0.623 1.00 1.61 C ATOM 419 CG1 VAL A 26 15.148 1.858 -0.259 1.00 1.72 C ATOM 420 CG2 VAL A 26 13.009 0.560 -0.222 1.00 1.63 C ATOM 0 H VAL A 26 12.979 0.087 2.627 1.00 1.56 H new ATOM 0 HA VAL A 26 15.162 -0.669 0.884 1.00 1.61 H new ATOM 0 HB VAL A 26 13.663 1.947 1.261 1.00 1.61 H new ATOM 0 HG11 VAL A 26 14.664 2.607 -0.886 1.00 1.72 H new ATOM 0 HG12 VAL A 26 15.899 2.340 0.368 1.00 1.72 H new ATOM 0 HG13 VAL A 26 15.628 1.111 -0.892 1.00 1.72 H new ATOM 0 HG21 VAL A 26 12.558 1.325 -0.854 1.00 1.63 H new ATOM 0 HG22 VAL A 26 13.433 -0.225 -0.849 1.00 1.63 H new ATOM 0 HG23 VAL A 26 12.247 0.132 0.429 1.00 1.63 H new ATOM 430 N TYR A 27 17.082 0.231 2.172 1.00 1.71 N ATOM 431 CA TYR A 27 18.217 0.748 2.903 1.00 1.72 C ATOM 432 C TYR A 27 18.669 2.077 2.335 1.00 1.67 C ATOM 433 O TYR A 27 18.742 2.268 1.119 1.00 1.72 O ATOM 434 CB TYR A 27 19.359 -0.250 2.889 1.00 1.86 C ATOM 435 CG TYR A 27 19.101 -1.459 3.759 1.00 1.85 C ATOM 436 CD1 TYR A 27 19.291 -1.396 5.132 1.00 1.92 C ATOM 437 CD2 TYR A 27 18.645 -2.653 3.214 1.00 1.89 C ATOM 438 CE1 TYR A 27 19.045 -2.490 5.938 1.00 1.97 C ATOM 439 CE2 TYR A 27 18.398 -3.752 4.013 1.00 1.97 C ATOM 440 CZ TYR A 27 18.593 -3.663 5.374 1.00 1.98 C ATOM 441 OH TYR A 27 18.345 -4.754 6.175 1.00 2.10 O ATOM 0 H TYR A 27 17.297 -0.542 1.542 1.00 1.71 H new ATOM 0 HA TYR A 27 17.908 0.908 3.936 1.00 1.72 H new ATOM 0 HB2 TYR A 27 19.534 -0.578 1.864 1.00 1.86 H new ATOM 0 HB3 TYR A 27 20.270 0.245 3.226 1.00 1.86 H new ATOM 0 HD1 TYR A 27 19.637 -0.475 5.578 1.00 1.92 H new ATOM 0 HD2 TYR A 27 18.481 -2.723 2.149 1.00 1.89 H new ATOM 0 HE1 TYR A 27 19.206 -2.427 7.004 1.00 1.97 H new ATOM 0 HE2 TYR A 27 18.054 -4.676 3.573 1.00 1.97 H new ATOM 0 HH TYR A 27 18.071 -4.450 7.066 1.00 2.10 H new ATOM 451 N MET A 28 18.955 2.993 3.236 1.00 1.61 N ATOM 452 CA MET A 28 19.394 4.320 2.884 1.00 1.59 C ATOM 453 C MET A 28 20.905 4.362 2.706 1.00 1.78 C ATOM 454 O MET A 28 21.644 3.697 3.436 1.00 2.05 O ATOM 455 CB MET A 28 18.961 5.294 3.973 1.00 1.51 C ATOM 456 CG MET A 28 17.488 5.648 3.920 1.00 1.36 C ATOM 457 SD MET A 28 17.030 6.498 2.392 1.00 1.30 S ATOM 458 CE MET A 28 16.192 5.184 1.505 1.00 1.81 C ATOM 0 H MET A 28 18.888 2.833 4.241 1.00 1.61 H new ATOM 0 HA MET A 28 18.939 4.606 1.936 1.00 1.59 H new ATOM 0 HB2 MET A 28 19.187 4.861 4.947 1.00 1.51 H new ATOM 0 HB3 MET A 28 19.549 6.208 3.886 1.00 1.51 H new ATOM 0 HG2 MET A 28 16.896 4.738 4.016 1.00 1.36 H new ATOM 0 HG3 MET A 28 17.240 6.281 4.772 1.00 1.36 H new ATOM 0 HE1 MET A 28 16.274 5.359 0.432 1.00 1.81 H new ATOM 0 HE2 MET A 28 16.651 4.227 1.753 1.00 1.81 H new ATOM 0 HE3 MET A 28 15.140 5.166 1.790 1.00 1.81 H new ATOM 468 N GLY A 29 21.357 5.151 1.739 1.00 2.07 N ATOM 469 CA GLY A 29 22.777 5.272 1.479 1.00 2.24 C ATOM 470 C GLY A 29 23.456 6.182 2.479 1.00 2.33 C ATOM 471 O GLY A 29 23.890 7.281 2.139 1.00 2.77 O ATOM 0 H GLY A 29 20.762 5.711 1.128 1.00 2.07 H new ATOM 0 HA2 GLY A 29 23.238 4.285 1.514 1.00 2.24 H new ATOM 0 HA3 GLY A 29 22.930 5.660 0.472 1.00 2.24 H new ATOM 475 N ASP A 30 23.532 5.726 3.716 1.00 2.11 N ATOM 476 CA ASP A 30 24.151 6.494 4.788 1.00 2.18 C ATOM 477 C ASP A 30 24.785 5.556 5.803 1.00 2.10 C ATOM 478 O ASP A 30 25.998 5.574 6.016 1.00 2.12 O ATOM 479 CB ASP A 30 23.111 7.394 5.467 1.00 2.25 C ATOM 480 CG ASP A 30 23.567 7.910 6.818 1.00 2.35 C ATOM 481 OD1 ASP A 30 24.468 8.770 6.857 1.00 2.52 O ATOM 482 OD2 ASP A 30 23.029 7.458 7.854 1.00 2.62 O ATOM 0 H ASP A 30 23.169 4.818 4.008 1.00 2.11 H new ATOM 0 HA ASP A 30 24.930 7.127 4.363 1.00 2.18 H new ATOM 0 HB2 ASP A 30 22.891 8.240 4.816 1.00 2.25 H new ATOM 0 HB3 ASP A 30 22.182 6.837 5.591 1.00 2.25 H new ATOM 487 N SER A 31 23.957 4.724 6.413 1.00 2.12 N ATOM 488 CA SER A 31 24.417 3.769 7.402 1.00 2.11 C ATOM 489 C SER A 31 23.770 2.408 7.147 1.00 2.07 C ATOM 490 O SER A 31 23.640 1.983 5.999 1.00 2.11 O ATOM 491 CB SER A 31 24.078 4.282 8.803 1.00 2.11 C ATOM 492 OG SER A 31 24.499 5.624 8.974 1.00 2.61 O ATOM 0 H SER A 31 22.953 4.693 6.236 1.00 2.12 H new ATOM 0 HA SER A 31 25.498 3.653 7.327 1.00 2.11 H new ATOM 0 HB2 SER A 31 23.003 4.212 8.968 1.00 2.11 H new ATOM 0 HB3 SER A 31 24.558 3.650 9.550 1.00 2.11 H new ATOM 0 HG SER A 31 23.742 6.227 8.821 1.00 2.61 H new ATOM 498 N ASP A 32 23.341 1.744 8.214 1.00 2.01 N ATOM 499 CA ASP A 32 22.708 0.435 8.105 1.00 2.00 C ATOM 500 C ASP A 32 21.205 0.595 8.230 1.00 1.83 C ATOM 501 O ASP A 32 20.442 -0.369 8.208 1.00 1.80 O ATOM 502 CB ASP A 32 23.234 -0.488 9.200 1.00 2.09 C ATOM 503 CG ASP A 32 23.146 -1.950 8.819 1.00 2.37 C ATOM 504 OD1 ASP A 32 23.779 -2.347 7.821 1.00 2.90 O ATOM 505 OD2 ASP A 32 22.445 -2.711 9.519 1.00 2.49 O ATOM 0 H ASP A 32 23.421 2.093 9.169 1.00 2.01 H new ATOM 0 HA ASP A 32 22.943 -0.006 7.136 1.00 2.00 H new ATOM 0 HB2 ASP A 32 24.272 -0.234 9.417 1.00 2.09 H new ATOM 0 HB3 ASP A 32 22.667 -0.320 10.116 1.00 2.09 H new ATOM 510 N VAL A 33 20.814 1.845 8.380 1.00 1.75 N ATOM 511 CA VAL A 33 19.423 2.232 8.518 1.00 1.62 C ATOM 512 C VAL A 33 18.619 1.896 7.269 1.00 1.57 C ATOM 513 O VAL A 33 19.107 1.990 6.138 1.00 1.61 O ATOM 514 CB VAL A 33 19.303 3.747 8.809 1.00 1.54 C ATOM 515 CG1 VAL A 33 20.125 4.541 7.813 1.00 1.56 C ATOM 516 CG2 VAL A 33 17.859 4.214 8.777 1.00 1.44 C ATOM 0 H VAL A 33 21.462 2.632 8.410 1.00 1.75 H new ATOM 0 HA VAL A 33 19.016 1.666 9.356 1.00 1.62 H new ATOM 0 HB VAL A 33 19.688 3.918 9.814 1.00 1.54 H new ATOM 0 HG11 VAL A 33 20.031 5.605 8.030 1.00 1.56 H new ATOM 0 HG12 VAL A 33 21.172 4.246 7.888 1.00 1.56 H new ATOM 0 HG13 VAL A 33 19.764 4.343 6.804 1.00 1.56 H new ATOM 0 HG21 VAL A 33 17.818 5.283 8.986 1.00 1.44 H new ATOM 0 HG22 VAL A 33 17.436 4.020 7.791 1.00 1.44 H new ATOM 0 HG23 VAL A 33 17.285 3.674 9.531 1.00 1.44 H new ATOM 526 N TYR A 34 17.383 1.518 7.496 1.00 1.52 N ATOM 527 CA TYR A 34 16.470 1.179 6.427 1.00 1.49 C ATOM 528 C TYR A 34 15.245 2.054 6.509 1.00 1.43 C ATOM 529 O TYR A 34 15.001 2.729 7.509 1.00 1.43 O ATOM 530 CB TYR A 34 16.059 -0.298 6.461 1.00 1.49 C ATOM 531 CG TYR A 34 15.347 -0.730 7.726 1.00 1.45 C ATOM 532 CD1 TYR A 34 13.971 -0.567 7.857 1.00 1.37 C ATOM 533 CD2 TYR A 34 16.041 -1.306 8.783 1.00 1.52 C ATOM 534 CE1 TYR A 34 13.311 -0.961 9.003 1.00 1.37 C ATOM 535 CE2 TYR A 34 15.386 -1.703 9.934 1.00 1.53 C ATOM 536 CZ TYR A 34 14.022 -1.529 10.039 1.00 1.45 C ATOM 537 OH TYR A 34 13.368 -1.920 11.184 1.00 1.50 O ATOM 0 H TYR A 34 16.980 1.436 8.429 1.00 1.52 H new ATOM 0 HA TYR A 34 16.989 1.350 5.484 1.00 1.49 H new ATOM 0 HB2 TYR A 34 15.410 -0.500 5.609 1.00 1.49 H new ATOM 0 HB3 TYR A 34 16.951 -0.912 6.335 1.00 1.49 H new ATOM 0 HD1 TYR A 34 13.410 -0.124 7.047 1.00 1.37 H new ATOM 0 HD2 TYR A 34 17.109 -1.446 8.704 1.00 1.52 H new ATOM 0 HE1 TYR A 34 12.243 -0.825 9.088 1.00 1.37 H new ATOM 0 HE2 TYR A 34 15.940 -2.148 10.747 1.00 1.53 H new ATOM 0 HH TYR A 34 14.013 -2.302 11.815 1.00 1.50 H new ATOM 547 N THR A 35 14.494 2.044 5.447 1.00 1.42 N ATOM 548 CA THR A 35 13.279 2.812 5.352 1.00 1.38 C ATOM 549 C THR A 35 12.168 1.909 4.845 1.00 1.30 C ATOM 550 O THR A 35 12.073 1.628 3.650 1.00 1.33 O ATOM 551 CB THR A 35 13.482 4.017 4.420 1.00 1.47 C ATOM 552 OG1 THR A 35 14.760 4.603 4.688 1.00 1.65 O ATOM 553 CG2 THR A 35 12.405 5.068 4.624 1.00 1.43 C ATOM 0 H THR A 35 14.707 1.498 4.612 1.00 1.42 H new ATOM 0 HA THR A 35 13.005 3.198 6.334 1.00 1.38 H new ATOM 0 HB THR A 35 13.425 3.665 3.390 1.00 1.47 H new ATOM 0 HG1 THR A 35 14.775 5.523 4.351 1.00 1.65 H new ATOM 0 HG21 THR A 35 12.581 5.905 3.948 1.00 1.43 H new ATOM 0 HG22 THR A 35 11.428 4.633 4.416 1.00 1.43 H new ATOM 0 HG23 THR A 35 12.432 5.422 5.655 1.00 1.43 H new ATOM 561 N VAL A 36 11.360 1.419 5.773 1.00 1.22 N ATOM 562 CA VAL A 36 10.272 0.516 5.438 1.00 1.15 C ATOM 563 C VAL A 36 9.111 1.272 4.803 1.00 1.08 C ATOM 564 O VAL A 36 8.436 2.076 5.449 1.00 1.07 O ATOM 565 CB VAL A 36 9.793 -0.290 6.676 1.00 1.11 C ATOM 566 CG1 VAL A 36 9.552 0.616 7.876 1.00 1.09 C ATOM 567 CG2 VAL A 36 8.543 -1.099 6.358 1.00 1.04 C ATOM 0 H VAL A 36 11.439 1.633 6.767 1.00 1.22 H new ATOM 0 HA VAL A 36 10.655 -0.198 4.709 1.00 1.15 H new ATOM 0 HB VAL A 36 10.592 -0.984 6.936 1.00 1.11 H new ATOM 0 HG11 VAL A 36 9.218 0.017 8.723 1.00 1.09 H new ATOM 0 HG12 VAL A 36 10.478 1.128 8.137 1.00 1.09 H new ATOM 0 HG13 VAL A 36 8.787 1.352 7.628 1.00 1.09 H new ATOM 0 HG21 VAL A 36 8.232 -1.652 7.244 1.00 1.04 H new ATOM 0 HG22 VAL A 36 7.742 -0.426 6.051 1.00 1.04 H new ATOM 0 HG23 VAL A 36 8.758 -1.799 5.550 1.00 1.04 H new ATOM 577 N HIS A 37 8.913 1.029 3.521 1.00 1.06 N ATOM 578 CA HIS A 37 7.838 1.662 2.784 1.00 1.01 C ATOM 579 C HIS A 37 6.670 0.704 2.644 1.00 0.93 C ATOM 580 O HIS A 37 6.844 -0.518 2.694 1.00 0.97 O ATOM 581 CB HIS A 37 8.307 2.099 1.396 1.00 1.10 C ATOM 582 CG HIS A 37 9.032 3.410 1.378 1.00 1.18 C ATOM 583 ND1 HIS A 37 8.365 4.603 1.516 1.00 1.25 N ATOM 584 CD2 HIS A 37 10.354 3.656 1.216 1.00 1.26 C ATOM 585 CE1 HIS A 37 9.290 5.543 1.434 1.00 1.33 C ATOM 586 NE2 HIS A 37 10.511 5.018 1.253 1.00 1.34 N ATOM 0 H HIS A 37 9.487 0.394 2.967 1.00 1.06 H new ATOM 0 HA HIS A 37 7.523 2.546 3.339 1.00 1.01 H new ATOM 0 HB2 HIS A 37 8.961 1.329 0.987 1.00 1.10 H new ATOM 0 HB3 HIS A 37 7.442 2.166 0.737 1.00 1.10 H new ATOM 0 HD2 HIS A 37 11.134 2.921 1.083 1.00 1.26 H new ATOM 0 HE1 HIS A 37 9.088 6.602 1.504 1.00 1.33 H new ATOM 0 HE2 HIS A 37 11.387 5.532 1.161 1.00 1.34 H new ATOM 594 N HIS A 38 5.492 1.263 2.465 1.00 0.82 N ATOM 595 CA HIS A 38 4.281 0.475 2.311 1.00 0.74 C ATOM 596 C HIS A 38 3.793 0.609 0.881 1.00 0.78 C ATOM 597 O HIS A 38 3.240 1.640 0.488 1.00 0.77 O ATOM 598 CB HIS A 38 3.211 0.936 3.307 1.00 0.62 C ATOM 599 CG HIS A 38 3.689 0.920 4.730 1.00 0.59 C ATOM 600 ND1 HIS A 38 3.838 -0.255 5.427 1.00 0.60 N ATOM 601 CD2 HIS A 38 4.063 1.955 5.520 1.00 0.59 C ATOM 602 CE1 HIS A 38 4.299 0.091 6.618 1.00 0.61 C ATOM 603 NE2 HIS A 38 4.451 1.419 6.720 1.00 0.60 N ATOM 0 H HIS A 38 5.344 2.271 2.422 1.00 0.82 H new ATOM 0 HA HIS A 38 4.491 -0.574 2.521 1.00 0.74 H new ATOM 0 HB2 HIS A 38 2.892 1.946 3.048 1.00 0.62 H new ATOM 0 HB3 HIS A 38 2.336 0.292 3.216 1.00 0.62 H new ATOM 0 HD2 HIS A 38 4.057 3.002 5.255 1.00 0.59 H new ATOM 0 HE1 HIS A 38 4.525 -0.609 7.409 1.00 0.61 H new ATOM 0 HE2 HIS A 38 4.790 1.932 7.534 1.00 0.60 H new ATOM 611 N MET A 39 4.022 -0.426 0.096 1.00 0.84 N ATOM 612 CA MET A 39 3.647 -0.410 -1.303 1.00 0.91 C ATOM 613 C MET A 39 2.754 -1.586 -1.665 1.00 0.88 C ATOM 614 O MET A 39 2.921 -2.695 -1.154 1.00 0.87 O ATOM 615 CB MET A 39 4.916 -0.426 -2.174 1.00 1.05 C ATOM 616 CG MET A 39 4.689 -0.925 -3.599 1.00 1.11 C ATOM 617 SD MET A 39 5.210 -2.636 -3.835 1.00 1.16 S ATOM 618 CE MET A 39 6.901 -2.403 -4.363 1.00 1.33 C ATOM 0 H MET A 39 4.467 -1.290 0.405 1.00 0.84 H new ATOM 0 HA MET A 39 3.078 0.501 -1.489 1.00 0.91 H new ATOM 0 HB2 MET A 39 5.328 0.582 -2.215 1.00 1.05 H new ATOM 0 HB3 MET A 39 5.665 -1.057 -1.695 1.00 1.05 H new ATOM 0 HG2 MET A 39 3.631 -0.835 -3.846 1.00 1.11 H new ATOM 0 HG3 MET A 39 5.234 -0.286 -4.294 1.00 1.11 H new ATOM 0 HE1 MET A 39 7.497 -3.265 -4.065 1.00 1.33 H new ATOM 0 HE2 MET A 39 6.932 -2.297 -5.447 1.00 1.33 H new ATOM 0 HE3 MET A 39 7.306 -1.504 -3.899 1.00 1.33 H new ATOM 628 N VAL A 40 1.773 -1.317 -2.513 1.00 0.87 N ATOM 629 CA VAL A 40 0.897 -2.356 -3.007 1.00 0.87 C ATOM 630 C VAL A 40 1.708 -3.201 -3.982 1.00 1.00 C ATOM 631 O VAL A 40 2.184 -2.708 -5.003 1.00 1.10 O ATOM 632 CB VAL A 40 -0.362 -1.764 -3.683 1.00 0.87 C ATOM 633 CG1 VAL A 40 -0.025 -0.475 -4.409 1.00 0.94 C ATOM 634 CG2 VAL A 40 -0.999 -2.763 -4.632 1.00 0.93 C ATOM 0 H VAL A 40 1.567 -0.384 -2.871 1.00 0.87 H new ATOM 0 HA VAL A 40 0.534 -2.969 -2.182 1.00 0.87 H new ATOM 0 HB VAL A 40 -1.086 -1.539 -2.900 1.00 0.87 H new ATOM 0 HG11 VAL A 40 -0.924 -0.075 -4.877 1.00 0.94 H new ATOM 0 HG12 VAL A 40 0.367 0.252 -3.697 1.00 0.94 H new ATOM 0 HG13 VAL A 40 0.725 -0.674 -5.175 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -1.881 -2.317 -5.091 1.00 0.93 H new ATOM 0 HG22 VAL A 40 -0.284 -3.034 -5.408 1.00 0.93 H new ATOM 0 HG23 VAL A 40 -1.290 -3.656 -4.079 1.00 0.93 H new ATOM 644 N TRP A 41 1.873 -4.461 -3.650 1.00 1.00 N ATOM 645 CA TRP A 41 2.695 -5.371 -4.435 1.00 1.13 C ATOM 646 C TRP A 41 1.940 -6.016 -5.588 1.00 1.19 C ATOM 647 O TRP A 41 2.538 -6.359 -6.609 1.00 1.30 O ATOM 648 CB TRP A 41 3.253 -6.440 -3.503 1.00 1.14 C ATOM 649 CG TRP A 41 4.263 -7.348 -4.131 1.00 1.32 C ATOM 650 CD1 TRP A 41 4.036 -8.583 -4.662 1.00 1.39 C ATOM 651 CD2 TRP A 41 5.666 -7.098 -4.268 1.00 1.46 C ATOM 652 NE1 TRP A 41 5.212 -9.112 -5.132 1.00 1.56 N ATOM 653 CE2 TRP A 41 6.228 -8.220 -4.899 1.00 1.61 C ATOM 654 CE3 TRP A 41 6.503 -6.029 -3.922 1.00 1.50 C ATOM 655 CZ2 TRP A 41 7.588 -8.308 -5.189 1.00 1.78 C ATOM 656 CZ3 TRP A 41 7.852 -6.119 -4.208 1.00 1.69 C ATOM 657 CH2 TRP A 41 8.384 -7.251 -4.837 1.00 1.82 C ATOM 0 H TRP A 41 1.444 -4.890 -2.830 1.00 1.00 H new ATOM 0 HA TRP A 41 3.499 -4.792 -4.890 1.00 1.13 H new ATOM 0 HB2 TRP A 41 3.709 -5.951 -2.642 1.00 1.14 H new ATOM 0 HB3 TRP A 41 2.426 -7.043 -3.126 1.00 1.14 H new ATOM 0 HD1 TRP A 41 3.074 -9.072 -4.706 1.00 1.39 H new ATOM 0 HE1 TRP A 41 5.314 -10.022 -5.582 1.00 1.56 H new ATOM 0 HE3 TRP A 41 6.101 -5.150 -3.440 1.00 1.50 H new ATOM 0 HZ2 TRP A 41 8.000 -9.180 -5.675 1.00 1.78 H new ATOM 0 HZ3 TRP A 41 8.507 -5.302 -3.942 1.00 1.69 H new ATOM 0 HH2 TRP A 41 9.442 -7.291 -5.049 1.00 1.82 H new ATOM 668 N HIS A 42 0.638 -6.173 -5.438 1.00 1.12 N ATOM 669 CA HIS A 42 -0.169 -6.799 -6.476 1.00 1.19 C ATOM 670 C HIS A 42 -1.626 -6.385 -6.337 1.00 1.12 C ATOM 671 O HIS A 42 -2.097 -6.117 -5.231 1.00 1.01 O ATOM 672 CB HIS A 42 -0.034 -8.327 -6.381 1.00 1.23 C ATOM 673 CG HIS A 42 -0.819 -9.095 -7.407 1.00 1.31 C ATOM 674 ND1 HIS A 42 -0.534 -9.343 -8.707 1.00 1.33 N flip ATOM 675 CD2 HIS A 42 -2.014 -9.697 -7.091 1.00 1.40 C flip ATOM 676 CE1 HIS A 42 -1.560 -10.108 -9.202 1.00 1.42 C flip ATOM 677 NE2 HIS A 42 -2.423 -10.294 -8.197 1.00 1.46 N flip ATOM 0 H HIS A 42 0.116 -5.878 -4.613 1.00 1.12 H new ATOM 0 HA HIS A 42 0.187 -6.470 -7.452 1.00 1.19 H new ATOM 0 HB2 HIS A 42 1.019 -8.591 -6.478 1.00 1.23 H new ATOM 0 HB3 HIS A 42 -0.353 -8.645 -5.388 1.00 1.23 H new ATOM 0 HD2 HIS A 42 -2.516 -9.685 -6.135 1.00 1.40 H new ATOM 0 HE1 HIS A 42 -1.653 -10.487 -10.209 1.00 1.42 H new ATOM 0 HE2 HIS A 42 -3.288 -10.829 -8.274 1.00 1.46 H new ATOM 685 N VAL A 43 -2.325 -6.319 -7.462 1.00 1.20 N ATOM 686 CA VAL A 43 -3.730 -5.951 -7.475 1.00 1.18 C ATOM 687 C VAL A 43 -4.524 -6.991 -8.258 1.00 1.24 C ATOM 688 O VAL A 43 -4.148 -7.352 -9.377 1.00 1.37 O ATOM 689 CB VAL A 43 -3.956 -4.558 -8.109 1.00 1.21 C ATOM 690 CG1 VAL A 43 -5.416 -4.150 -8.000 1.00 1.20 C ATOM 691 CG2 VAL A 43 -3.068 -3.508 -7.461 1.00 1.14 C ATOM 0 H VAL A 43 -1.936 -6.518 -8.384 1.00 1.20 H new ATOM 0 HA VAL A 43 -4.070 -5.911 -6.440 1.00 1.18 H new ATOM 0 HB VAL A 43 -3.688 -4.626 -9.163 1.00 1.21 H new ATOM 0 HG11 VAL A 43 -5.554 -3.168 -8.452 1.00 1.20 H new ATOM 0 HG12 VAL A 43 -6.037 -4.879 -8.520 1.00 1.20 H new ATOM 0 HG13 VAL A 43 -5.705 -4.110 -6.950 1.00 1.20 H new ATOM 0 HG21 VAL A 43 -3.249 -2.540 -7.928 1.00 1.14 H new ATOM 0 HG22 VAL A 43 -3.295 -3.446 -6.397 1.00 1.14 H new ATOM 0 HG23 VAL A 43 -2.022 -3.784 -7.593 1.00 1.14 H new ATOM 701 N GLU A 44 -5.609 -7.473 -7.661 1.00 1.17 N ATOM 702 CA GLU A 44 -6.462 -8.457 -8.277 1.00 1.23 C ATOM 703 C GLU A 44 -7.016 -7.940 -9.600 1.00 1.34 C ATOM 704 O GLU A 44 -7.467 -6.794 -9.694 1.00 1.35 O ATOM 705 CB GLU A 44 -7.597 -8.779 -7.315 1.00 1.16 C ATOM 706 CG GLU A 44 -7.168 -9.585 -6.095 1.00 1.11 C ATOM 707 CD GLU A 44 -6.717 -10.984 -6.450 1.00 1.19 C ATOM 708 OE1 GLU A 44 -7.550 -11.770 -6.947 1.00 1.17 O ATOM 709 OE2 GLU A 44 -5.529 -11.307 -6.241 1.00 1.54 O ATOM 0 H GLU A 44 -5.914 -7.184 -6.732 1.00 1.17 H new ATOM 0 HA GLU A 44 -5.887 -9.358 -8.490 1.00 1.23 H new ATOM 0 HB2 GLU A 44 -8.051 -7.846 -6.980 1.00 1.16 H new ATOM 0 HB3 GLU A 44 -8.367 -9.333 -7.851 1.00 1.16 H new ATOM 0 HG2 GLU A 44 -6.357 -9.064 -5.587 1.00 1.11 H new ATOM 0 HG3 GLU A 44 -7.999 -9.643 -5.392 1.00 1.11 H new ATOM 716 N ASP A 45 -6.970 -8.789 -10.619 1.00 1.44 N ATOM 717 CA ASP A 45 -7.462 -8.430 -11.944 1.00 1.55 C ATOM 718 C ASP A 45 -8.967 -8.227 -11.914 1.00 1.55 C ATOM 719 O ASP A 45 -9.733 -9.192 -11.866 1.00 1.60 O ATOM 720 CB ASP A 45 -7.105 -9.512 -12.964 1.00 1.69 C ATOM 721 CG ASP A 45 -5.681 -9.394 -13.458 1.00 1.81 C ATOM 722 OD1 ASP A 45 -4.776 -9.991 -12.834 1.00 1.92 O ATOM 723 OD2 ASP A 45 -5.460 -8.705 -14.474 1.00 1.94 O ATOM 0 H ASP A 45 -6.595 -9.735 -10.553 1.00 1.44 H new ATOM 0 HA ASP A 45 -6.984 -7.497 -12.241 1.00 1.55 H new ATOM 0 HB2 ASP A 45 -7.250 -10.494 -12.513 1.00 1.69 H new ATOM 0 HB3 ASP A 45 -7.787 -9.447 -13.812 1.00 1.69 H new ATOM 728 N GLY A 46 -9.381 -6.969 -11.936 1.00 1.54 N ATOM 729 CA GLY A 46 -10.794 -6.650 -11.888 1.00 1.56 C ATOM 730 C GLY A 46 -11.271 -6.482 -10.461 1.00 1.46 C ATOM 731 O GLY A 46 -12.470 -6.492 -10.187 1.00 1.49 O ATOM 0 H GLY A 46 -8.762 -6.160 -11.986 1.00 1.54 H new ATOM 0 HA2 GLY A 46 -10.981 -5.733 -12.447 1.00 1.56 H new ATOM 0 HA3 GLY A 46 -11.365 -7.442 -12.374 1.00 1.56 H new ATOM 735 N GLY A 47 -10.315 -6.329 -9.551 1.00 1.37 N ATOM 736 CA GLY A 47 -10.634 -6.161 -8.151 1.00 1.28 C ATOM 737 C GLY A 47 -11.057 -4.743 -7.835 1.00 1.27 C ATOM 738 O GLY A 47 -10.868 -3.847 -8.654 1.00 1.33 O ATOM 0 H GLY A 47 -9.318 -6.319 -9.764 1.00 1.37 H new ATOM 0 HA2 GLY A 47 -11.434 -6.848 -7.876 1.00 1.28 H new ATOM 0 HA3 GLY A 47 -9.766 -6.424 -7.547 1.00 1.28 H new ATOM 742 N PRO A 48 -11.592 -4.506 -6.631 1.00 1.20 N ATOM 743 CA PRO A 48 -12.067 -3.185 -6.201 1.00 1.20 C ATOM 744 C PRO A 48 -10.978 -2.149 -6.285 1.00 1.16 C ATOM 745 O PRO A 48 -11.177 -1.038 -6.776 1.00 1.21 O ATOM 746 CB PRO A 48 -12.434 -3.425 -4.740 1.00 1.13 C ATOM 747 CG PRO A 48 -12.762 -4.854 -4.685 1.00 1.13 C ATOM 748 CD PRO A 48 -11.748 -5.497 -5.558 1.00 1.13 C ATOM 0 HA PRO A 48 -12.884 -2.811 -6.818 1.00 1.20 H new ATOM 0 HB2 PRO A 48 -11.606 -3.180 -4.075 1.00 1.13 H new ATOM 0 HB3 PRO A 48 -13.280 -2.809 -4.435 1.00 1.13 H new ATOM 0 HG2 PRO A 48 -12.708 -5.235 -3.665 1.00 1.13 H new ATOM 0 HG3 PRO A 48 -13.774 -5.044 -5.044 1.00 1.13 H new ATOM 0 HD2 PRO A 48 -10.811 -5.677 -5.030 1.00 1.13 H new ATOM 0 HD3 PRO A 48 -12.090 -6.460 -5.939 1.00 1.13 H new ATOM 756 N ALA A 49 -9.822 -2.529 -5.783 1.00 1.09 N ATOM 757 CA ALA A 49 -8.665 -1.647 -5.794 1.00 1.06 C ATOM 758 C ALA A 49 -8.273 -1.270 -7.210 1.00 1.16 C ATOM 759 O ALA A 49 -7.923 -0.123 -7.479 1.00 1.19 O ATOM 760 CB ALA A 49 -7.491 -2.284 -5.068 1.00 0.97 C ATOM 0 H ALA A 49 -9.654 -3.442 -5.361 1.00 1.09 H new ATOM 0 HA ALA A 49 -8.942 -0.734 -5.267 1.00 1.06 H new ATOM 0 HB1 ALA A 49 -6.638 -1.605 -5.090 1.00 0.97 H new ATOM 0 HB2 ALA A 49 -7.769 -2.485 -4.033 1.00 0.97 H new ATOM 0 HB3 ALA A 49 -7.223 -3.219 -5.560 1.00 0.97 H new ATOM 766 N SER A 50 -8.347 -2.231 -8.113 1.00 1.23 N ATOM 767 CA SER A 50 -8.017 -1.984 -9.501 1.00 1.34 C ATOM 768 C SER A 50 -9.018 -1.014 -10.096 1.00 1.40 C ATOM 769 O SER A 50 -8.672 -0.150 -10.901 1.00 1.46 O ATOM 770 CB SER A 50 -8.045 -3.281 -10.292 1.00 1.41 C ATOM 771 OG SER A 50 -7.138 -3.227 -11.377 1.00 1.45 O ATOM 0 H SER A 50 -8.633 -3.189 -7.908 1.00 1.23 H new ATOM 0 HA SER A 50 -7.014 -1.559 -9.551 1.00 1.34 H new ATOM 0 HB2 SER A 50 -7.789 -4.116 -9.640 1.00 1.41 H new ATOM 0 HB3 SER A 50 -9.053 -3.464 -10.664 1.00 1.41 H new ATOM 0 HG SER A 50 -7.170 -4.072 -11.872 1.00 1.45 H new ATOM 777 N GLU A 51 -10.260 -1.157 -9.670 1.00 1.39 N ATOM 778 CA GLU A 51 -11.335 -0.298 -10.148 1.00 1.46 C ATOM 779 C GLU A 51 -11.122 1.115 -9.637 1.00 1.45 C ATOM 780 O GLU A 51 -11.379 2.099 -10.334 1.00 1.55 O ATOM 781 CB GLU A 51 -12.696 -0.826 -9.692 1.00 1.47 C ATOM 782 CG GLU A 51 -12.974 -2.251 -10.142 1.00 1.50 C ATOM 783 CD GLU A 51 -14.432 -2.632 -10.010 1.00 1.58 C ATOM 784 OE1 GLU A 51 -15.098 -2.152 -9.062 1.00 1.55 O ATOM 785 OE2 GLU A 51 -14.926 -3.401 -10.862 1.00 1.84 O ATOM 0 H GLU A 51 -10.552 -1.861 -8.992 1.00 1.39 H new ATOM 0 HA GLU A 51 -11.322 -0.294 -11.238 1.00 1.46 H new ATOM 0 HB2 GLU A 51 -12.749 -0.780 -8.604 1.00 1.47 H new ATOM 0 HB3 GLU A 51 -13.478 -0.172 -10.077 1.00 1.47 H new ATOM 0 HG2 GLU A 51 -12.665 -2.366 -11.181 1.00 1.50 H new ATOM 0 HG3 GLU A 51 -12.368 -2.939 -9.552 1.00 1.50 H new ATOM 792 N ALA A 52 -10.626 1.190 -8.416 1.00 1.33 N ATOM 793 CA ALA A 52 -10.341 2.451 -7.767 1.00 1.31 C ATOM 794 C ALA A 52 -9.119 3.120 -8.395 1.00 1.34 C ATOM 795 O ALA A 52 -8.947 4.334 -8.298 1.00 1.36 O ATOM 796 CB ALA A 52 -10.135 2.214 -6.286 1.00 1.20 C ATOM 0 H ALA A 52 -10.409 0.372 -7.846 1.00 1.33 H new ATOM 0 HA ALA A 52 -11.186 3.126 -7.903 1.00 1.31 H new ATOM 0 HB1 ALA A 52 -9.920 3.162 -5.792 1.00 1.20 H new ATOM 0 HB2 ALA A 52 -11.038 1.779 -5.858 1.00 1.20 H new ATOM 0 HB3 ALA A 52 -9.299 1.531 -6.140 1.00 1.20 H new ATOM 802 N GLY A 53 -8.274 2.322 -9.036 1.00 1.35 N ATOM 803 CA GLY A 53 -7.103 2.861 -9.687 1.00 1.39 C ATOM 804 C GLY A 53 -5.794 2.467 -9.029 1.00 1.31 C ATOM 805 O GLY A 53 -4.731 2.907 -9.468 1.00 1.33 O ATOM 0 H GLY A 53 -8.382 1.311 -9.115 1.00 1.35 H new ATOM 0 HA2 GLY A 53 -7.091 2.527 -10.725 1.00 1.39 H new ATOM 0 HA3 GLY A 53 -7.177 3.948 -9.703 1.00 1.39 H new ATOM 809 N LEU A 54 -5.857 1.649 -7.986 1.00 1.22 N ATOM 810 CA LEU A 54 -4.654 1.218 -7.289 1.00 1.14 C ATOM 811 C LEU A 54 -3.824 0.323 -8.190 1.00 1.21 C ATOM 812 O LEU A 54 -4.330 -0.636 -8.775 1.00 1.26 O ATOM 813 CB LEU A 54 -5.011 0.460 -6.015 1.00 1.04 C ATOM 814 CG LEU A 54 -4.290 0.912 -4.738 1.00 0.94 C ATOM 815 CD1 LEU A 54 -4.208 -0.224 -3.735 1.00 0.85 C ATOM 816 CD2 LEU A 54 -2.901 1.435 -5.053 1.00 0.96 C ATOM 0 H LEU A 54 -6.725 1.272 -7.606 1.00 1.22 H new ATOM 0 HA LEU A 54 -4.078 2.105 -7.023 1.00 1.14 H new ATOM 0 HB2 LEU A 54 -6.085 0.548 -5.852 1.00 1.04 H new ATOM 0 HB3 LEU A 54 -4.798 -0.597 -6.173 1.00 1.04 H new ATOM 0 HG LEU A 54 -4.870 1.723 -4.298 1.00 0.94 H new ATOM 0 HD11 LEU A 54 -3.693 0.119 -2.838 1.00 0.85 H new ATOM 0 HD12 LEU A 54 -5.214 -0.551 -3.473 1.00 0.85 H new ATOM 0 HD13 LEU A 54 -3.658 -1.057 -4.173 1.00 0.85 H new ATOM 0 HD21 LEU A 54 -2.412 1.749 -4.130 1.00 0.96 H new ATOM 0 HD22 LEU A 54 -2.314 0.647 -5.525 1.00 0.96 H new ATOM 0 HD23 LEU A 54 -2.977 2.286 -5.730 1.00 0.96 H new ATOM 828 N ARG A 55 -2.560 0.655 -8.301 1.00 1.21 N ATOM 829 CA ARG A 55 -1.633 -0.096 -9.127 1.00 1.28 C ATOM 830 C ARG A 55 -0.461 -0.579 -8.291 1.00 1.23 C ATOM 831 O ARG A 55 0.000 0.123 -7.394 1.00 1.18 O ATOM 832 CB ARG A 55 -1.150 0.779 -10.277 1.00 1.36 C ATOM 833 CG ARG A 55 -2.287 1.450 -11.019 1.00 1.41 C ATOM 834 CD ARG A 55 -2.961 0.490 -11.985 1.00 1.51 C ATOM 835 NE ARG A 55 -4.301 0.940 -12.369 1.00 1.57 N ATOM 836 CZ ARG A 55 -5.404 0.197 -12.248 1.00 1.58 C ATOM 837 NH1 ARG A 55 -5.335 -1.037 -11.758 1.00 1.55 N ATOM 838 NH2 ARG A 55 -6.578 0.690 -12.618 1.00 1.68 N ATOM 0 H ARG A 55 -2.141 1.453 -7.823 1.00 1.21 H new ATOM 0 HA ARG A 55 -2.140 -0.968 -9.539 1.00 1.28 H new ATOM 0 HB2 ARG A 55 -0.475 1.542 -9.889 1.00 1.36 H new ATOM 0 HB3 ARG A 55 -0.576 0.170 -10.975 1.00 1.36 H new ATOM 0 HG2 ARG A 55 -3.020 1.823 -10.304 1.00 1.41 H new ATOM 0 HG3 ARG A 55 -1.907 2.313 -11.566 1.00 1.41 H new ATOM 0 HD2 ARG A 55 -2.345 0.385 -12.878 1.00 1.51 H new ATOM 0 HD3 ARG A 55 -3.029 -0.496 -11.526 1.00 1.51 H new ATOM 0 HE ARG A 55 -4.398 1.880 -12.753 1.00 1.57 H new ATOM 0 HH11 ARG A 55 -4.435 -1.422 -11.471 1.00 1.55 H new ATOM 0 HH12 ARG A 55 -6.182 -1.598 -11.669 1.00 1.55 H new ATOM 0 HH21 ARG A 55 -6.638 1.636 -12.995 1.00 1.68 H new ATOM 0 HH22 ARG A 55 -7.421 0.123 -12.526 1.00 1.68 H new ATOM 852 N GLN A 56 0.014 -1.781 -8.573 1.00 1.29 N ATOM 853 CA GLN A 56 1.126 -2.337 -7.820 1.00 1.27 C ATOM 854 C GLN A 56 2.431 -1.632 -8.161 1.00 1.33 C ATOM 855 O GLN A 56 2.652 -1.216 -9.299 1.00 1.41 O ATOM 856 CB GLN A 56 1.276 -3.846 -8.049 1.00 1.34 C ATOM 857 CG GLN A 56 0.419 -4.406 -9.159 1.00 1.40 C ATOM 858 CD GLN A 56 0.871 -5.773 -9.641 1.00 1.53 C ATOM 859 OE1 GLN A 56 2.174 -6.012 -9.637 1.00 1.56 O flip ATOM 860 NE2 GLN A 56 0.051 -6.605 -10.027 1.00 1.78 N flip ATOM 0 H GLN A 56 -0.349 -2.385 -9.310 1.00 1.29 H new ATOM 0 HA GLN A 56 0.901 -2.174 -6.766 1.00 1.27 H new ATOM 0 HB2 GLN A 56 2.321 -4.064 -8.271 1.00 1.34 H new ATOM 0 HB3 GLN A 56 1.032 -4.366 -7.123 1.00 1.34 H new ATOM 0 HG2 GLN A 56 -0.612 -4.474 -8.812 1.00 1.40 H new ATOM 0 HG3 GLN A 56 0.427 -3.712 -9.999 1.00 1.40 H new ATOM 0 HE21 GLN A 56 -0.945 -6.384 -10.015 1.00 1.78 H new ATOM 0 HE22 GLN A 56 0.367 -7.516 -10.359 1.00 1.78 H new ATOM 869 N GLY A 57 3.283 -1.485 -7.155 1.00 1.30 N ATOM 870 CA GLY A 57 4.569 -0.855 -7.348 1.00 1.37 C ATOM 871 C GLY A 57 4.574 0.634 -7.058 1.00 1.33 C ATOM 872 O GLY A 57 5.567 1.303 -7.328 1.00 1.39 O ATOM 0 H GLY A 57 3.101 -1.795 -6.200 1.00 1.30 H new ATOM 0 HA2 GLY A 57 5.302 -1.343 -6.705 1.00 1.37 H new ATOM 0 HA3 GLY A 57 4.891 -1.016 -8.377 1.00 1.37 H new ATOM 876 N ASP A 58 3.471 1.168 -6.539 1.00 1.24 N ATOM 877 CA ASP A 58 3.416 2.592 -6.195 1.00 1.21 C ATOM 878 C ASP A 58 3.907 2.791 -4.771 1.00 1.13 C ATOM 879 O ASP A 58 4.646 1.970 -4.240 1.00 1.13 O ATOM 880 CB ASP A 58 1.996 3.153 -6.297 1.00 1.16 C ATOM 881 CG ASP A 58 1.420 3.079 -7.701 1.00 1.26 C ATOM 882 OD1 ASP A 58 2.207 3.051 -8.669 1.00 1.43 O ATOM 883 OD2 ASP A 58 0.177 3.024 -7.840 1.00 1.29 O ATOM 0 H ASP A 58 2.614 0.648 -6.349 1.00 1.24 H new ATOM 0 HA ASP A 58 4.050 3.122 -6.906 1.00 1.21 H new ATOM 0 HB2 ASP A 58 1.346 2.604 -5.616 1.00 1.16 H new ATOM 0 HB3 ASP A 58 1.999 4.192 -5.967 1.00 1.16 H new ATOM 888 N LEU A 59 3.492 3.879 -4.153 1.00 1.06 N ATOM 889 CA LEU A 59 3.860 4.164 -2.796 1.00 0.99 C ATOM 890 C LEU A 59 2.682 4.758 -2.064 1.00 0.89 C ATOM 891 O LEU A 59 2.180 5.820 -2.427 1.00 0.90 O ATOM 892 CB LEU A 59 5.038 5.132 -2.720 1.00 1.05 C ATOM 893 CG LEU A 59 6.408 4.482 -2.594 1.00 1.13 C ATOM 894 CD1 LEU A 59 7.484 5.543 -2.422 1.00 1.19 C ATOM 895 CD2 LEU A 59 6.435 3.504 -1.429 1.00 1.06 C ATOM 0 H LEU A 59 2.892 4.583 -4.583 1.00 1.06 H new ATOM 0 HA LEU A 59 4.161 3.225 -2.331 1.00 0.99 H new ATOM 0 HB2 LEU A 59 5.032 5.757 -3.613 1.00 1.05 H new ATOM 0 HB3 LEU A 59 4.888 5.794 -1.867 1.00 1.05 H new ATOM 0 HG LEU A 59 6.610 3.927 -3.510 1.00 1.13 H new ATOM 0 HD11 LEU A 59 8.458 5.062 -2.333 1.00 1.19 H new ATOM 0 HD12 LEU A 59 7.484 6.205 -3.288 1.00 1.19 H new ATOM 0 HD13 LEU A 59 7.282 6.123 -1.521 1.00 1.19 H new ATOM 0 HD21 LEU A 59 7.424 3.051 -1.357 1.00 1.06 H new ATOM 0 HD22 LEU A 59 6.211 4.034 -0.503 1.00 1.06 H new ATOM 0 HD23 LEU A 59 5.690 2.725 -1.590 1.00 1.06 H new ATOM 907 N ILE A 60 2.212 4.055 -1.068 1.00 0.80 N ATOM 908 CA ILE A 60 1.110 4.543 -0.275 1.00 0.71 C ATOM 909 C ILE A 60 1.640 5.537 0.755 1.00 0.68 C ATOM 910 O ILE A 60 2.379 5.163 1.669 1.00 0.66 O ATOM 911 CB ILE A 60 0.365 3.390 0.426 1.00 0.62 C ATOM 912 CG1 ILE A 60 -0.254 2.451 -0.618 1.00 0.67 C ATOM 913 CG2 ILE A 60 -0.704 3.935 1.363 1.00 0.54 C ATOM 914 CD1 ILE A 60 -0.561 1.066 -0.093 1.00 0.63 C ATOM 0 H ILE A 60 2.573 3.144 -0.785 1.00 0.80 H new ATOM 0 HA ILE A 60 0.397 5.038 -0.934 1.00 0.71 H new ATOM 0 HB ILE A 60 1.079 2.823 1.023 1.00 0.62 H new ATOM 0 HG12 ILE A 60 -1.174 2.898 -0.994 1.00 0.67 H new ATOM 0 HG13 ILE A 60 0.428 2.365 -1.464 1.00 0.67 H new ATOM 0 HG21 ILE A 60 -1.219 3.106 1.849 1.00 0.54 H new ATOM 0 HG22 ILE A 60 -0.237 4.566 2.120 1.00 0.54 H new ATOM 0 HG23 ILE A 60 -1.422 4.524 0.792 1.00 0.54 H new ATOM 0 HD11 ILE A 60 -0.996 0.463 -0.890 1.00 0.63 H new ATOM 0 HD12 ILE A 60 0.359 0.597 0.256 1.00 0.63 H new ATOM 0 HD13 ILE A 60 -1.268 1.139 0.734 1.00 0.63 H new ATOM 926 N THR A 61 1.296 6.804 0.584 1.00 0.70 N ATOM 927 CA THR A 61 1.762 7.845 1.489 1.00 0.70 C ATOM 928 C THR A 61 0.794 8.053 2.654 1.00 0.61 C ATOM 929 O THR A 61 1.216 8.356 3.772 1.00 0.58 O ATOM 930 CB THR A 61 2.011 9.181 0.742 1.00 0.80 C ATOM 931 OG1 THR A 61 2.327 10.228 1.667 1.00 0.79 O ATOM 932 CG2 THR A 61 0.807 9.590 -0.093 1.00 0.86 C ATOM 0 H THR A 61 0.697 7.137 -0.171 1.00 0.70 H new ATOM 0 HA THR A 61 2.713 7.506 1.899 1.00 0.70 H new ATOM 0 HB THR A 61 2.857 9.021 0.073 1.00 0.80 H new ATOM 0 HG1 THR A 61 2.482 11.062 1.176 1.00 0.79 H new ATOM 0 HG21 THR A 61 1.019 10.531 -0.601 1.00 0.86 H new ATOM 0 HG22 THR A 61 0.598 8.817 -0.832 1.00 0.86 H new ATOM 0 HG23 THR A 61 -0.060 9.716 0.556 1.00 0.86 H new ATOM 940 N HIS A 62 -0.498 7.880 2.400 1.00 0.60 N ATOM 941 CA HIS A 62 -1.505 8.043 3.448 1.00 0.57 C ATOM 942 C HIS A 62 -2.664 7.088 3.231 1.00 0.55 C ATOM 943 O HIS A 62 -3.001 6.748 2.098 1.00 0.59 O ATOM 944 CB HIS A 62 -2.075 9.471 3.501 1.00 0.66 C ATOM 945 CG HIS A 62 -1.084 10.552 3.819 1.00 0.75 C ATOM 946 ND1 HIS A 62 -0.405 11.223 2.829 1.00 0.81 N ATOM 947 CD2 HIS A 62 -0.725 11.059 5.023 1.00 0.86 C ATOM 948 CE1 HIS A 62 0.344 12.120 3.450 1.00 0.91 C ATOM 949 NE2 HIS A 62 0.182 12.056 4.778 1.00 0.95 N ATOM 0 H HIS A 62 -0.873 7.629 1.485 1.00 0.60 H new ATOM 0 HA HIS A 62 -0.997 7.829 4.388 1.00 0.57 H new ATOM 0 HB2 HIS A 62 -2.535 9.696 2.539 1.00 0.66 H new ATOM 0 HB3 HIS A 62 -2.869 9.499 4.248 1.00 0.66 H new ATOM 0 HD2 HIS A 62 -1.085 10.739 5.990 1.00 0.86 H new ATOM 0 HE1 HIS A 62 1.002 12.815 2.950 1.00 0.91 H new ATOM 0 HE2 HIS A 62 0.646 12.639 5.475 1.00 0.95 H new ATOM 957 N VAL A 63 -3.263 6.659 4.324 1.00 0.51 N ATOM 958 CA VAL A 63 -4.416 5.778 4.279 1.00 0.50 C ATOM 959 C VAL A 63 -5.555 6.440 5.031 1.00 0.58 C ATOM 960 O VAL A 63 -5.453 6.652 6.234 1.00 0.59 O ATOM 961 CB VAL A 63 -4.124 4.401 4.907 1.00 0.42 C ATOM 962 CG1 VAL A 63 -5.404 3.593 5.045 1.00 0.44 C ATOM 963 CG2 VAL A 63 -3.098 3.634 4.084 1.00 0.38 C ATOM 0 H VAL A 63 -2.966 6.910 5.267 1.00 0.51 H new ATOM 0 HA VAL A 63 -4.676 5.610 3.234 1.00 0.50 H new ATOM 0 HB VAL A 63 -3.709 4.566 5.901 1.00 0.42 H new ATOM 0 HG11 VAL A 63 -5.177 2.624 5.490 1.00 0.44 H new ATOM 0 HG12 VAL A 63 -6.106 4.130 5.683 1.00 0.44 H new ATOM 0 HG13 VAL A 63 -5.848 3.445 4.061 1.00 0.44 H new ATOM 0 HG21 VAL A 63 -2.909 2.666 4.548 1.00 0.38 H new ATOM 0 HG22 VAL A 63 -3.480 3.484 3.074 1.00 0.38 H new ATOM 0 HG23 VAL A 63 -2.169 4.202 4.040 1.00 0.38 H new ATOM 973 N ASN A 64 -6.613 6.799 4.312 1.00 0.67 N ATOM 974 CA ASN A 64 -7.772 7.468 4.904 1.00 0.76 C ATOM 975 C ASN A 64 -7.361 8.838 5.434 1.00 0.81 C ATOM 976 O ASN A 64 -7.988 9.387 6.342 1.00 0.90 O ATOM 977 CB ASN A 64 -8.398 6.624 6.025 1.00 0.77 C ATOM 978 CG ASN A 64 -8.981 5.322 5.524 1.00 0.75 C ATOM 979 OD1 ASN A 64 -9.546 5.258 4.434 1.00 0.80 O ATOM 980 ND2 ASN A 64 -8.843 4.272 6.319 1.00 0.70 N ATOM 0 H ASN A 64 -6.694 6.637 3.308 1.00 0.67 H new ATOM 0 HA ASN A 64 -8.527 7.593 4.128 1.00 0.76 H new ATOM 0 HB2 ASN A 64 -7.640 6.411 6.779 1.00 0.77 H new ATOM 0 HB3 ASN A 64 -9.181 7.203 6.515 1.00 0.77 H new ATOM 0 HD21 ASN A 64 -9.213 3.365 6.035 1.00 0.70 H new ATOM 0 HD22 ASN A 64 -8.367 4.370 7.216 1.00 0.70 H new ATOM 987 N GLY A 65 -6.290 9.378 4.853 1.00 0.78 N ATOM 988 CA GLY A 65 -5.785 10.678 5.256 1.00 0.83 C ATOM 989 C GLY A 65 -4.891 10.607 6.479 1.00 0.81 C ATOM 990 O GLY A 65 -4.609 11.628 7.104 1.00 0.90 O ATOM 0 H GLY A 65 -5.761 8.932 4.104 1.00 0.78 H new ATOM 0 HA2 GLY A 65 -5.228 11.119 4.429 1.00 0.83 H new ATOM 0 HA3 GLY A 65 -6.625 11.341 5.463 1.00 0.83 H new ATOM 994 N GLU A 66 -4.426 9.409 6.814 1.00 0.71 N ATOM 995 CA GLU A 66 -3.576 9.228 7.980 1.00 0.71 C ATOM 996 C GLU A 66 -2.132 8.977 7.561 1.00 0.66 C ATOM 997 O GLU A 66 -1.883 8.173 6.659 1.00 0.58 O ATOM 998 CB GLU A 66 -4.065 8.043 8.809 1.00 0.70 C ATOM 999 CG GLU A 66 -5.574 7.974 8.986 1.00 0.77 C ATOM 1000 CD GLU A 66 -6.084 8.871 10.091 1.00 0.95 C ATOM 1001 OE1 GLU A 66 -5.898 10.099 9.993 1.00 1.36 O ATOM 1002 OE2 GLU A 66 -6.675 8.358 11.061 1.00 1.30 O ATOM 0 H GLU A 66 -4.623 8.553 6.296 1.00 0.71 H new ATOM 0 HA GLU A 66 -3.623 10.140 8.576 1.00 0.71 H new ATOM 0 HB2 GLU A 66 -3.725 7.121 8.337 1.00 0.70 H new ATOM 0 HB3 GLU A 66 -3.599 8.088 9.793 1.00 0.70 H new ATOM 0 HG2 GLU A 66 -6.057 8.252 8.049 1.00 0.77 H new ATOM 0 HG3 GLU A 66 -5.862 6.945 9.200 1.00 0.77 H new ATOM 1009 N PRO A 67 -1.167 9.675 8.185 1.00 0.73 N ATOM 1010 CA PRO A 67 0.254 9.492 7.889 1.00 0.72 C ATOM 1011 C PRO A 67 0.731 8.101 8.291 1.00 0.64 C ATOM 1012 O PRO A 67 0.765 7.758 9.474 1.00 0.72 O ATOM 1013 CB PRO A 67 0.960 10.560 8.735 1.00 0.84 C ATOM 1014 CG PRO A 67 -0.112 11.505 9.158 1.00 0.90 C ATOM 1015 CD PRO A 67 -1.378 10.706 9.212 1.00 0.84 C ATOM 0 HA PRO A 67 0.462 9.588 6.823 1.00 0.72 H new ATOM 0 HB2 PRO A 67 1.453 10.114 9.599 1.00 0.84 H new ATOM 0 HB3 PRO A 67 1.730 11.072 8.158 1.00 0.84 H new ATOM 0 HG2 PRO A 67 0.115 11.940 10.131 1.00 0.90 H new ATOM 0 HG3 PRO A 67 -0.203 12.331 8.453 1.00 0.90 H new ATOM 0 HD2 PRO A 67 -1.536 10.267 10.197 1.00 0.84 H new ATOM 0 HD3 PRO A 67 -2.252 11.320 8.993 1.00 0.84 H new ATOM 1023 N VAL A 68 1.078 7.299 7.300 1.00 0.53 N ATOM 1024 CA VAL A 68 1.542 5.940 7.540 1.00 0.48 C ATOM 1025 C VAL A 68 3.057 5.894 7.664 1.00 0.56 C ATOM 1026 O VAL A 68 3.624 4.888 8.094 1.00 0.60 O ATOM 1027 CB VAL A 68 1.096 4.986 6.419 1.00 0.42 C ATOM 1028 CG1 VAL A 68 -0.420 4.975 6.302 1.00 0.40 C ATOM 1029 CG2 VAL A 68 1.735 5.365 5.090 1.00 0.52 C ATOM 0 H VAL A 68 1.048 7.565 6.316 1.00 0.53 H new ATOM 0 HA VAL A 68 1.094 5.613 8.478 1.00 0.48 H new ATOM 0 HB VAL A 68 1.431 3.981 6.677 1.00 0.42 H new ATOM 0 HG11 VAL A 68 -0.718 4.295 5.504 1.00 0.40 H new ATOM 0 HG12 VAL A 68 -0.855 4.642 7.244 1.00 0.40 H new ATOM 0 HG13 VAL A 68 -0.775 5.980 6.074 1.00 0.40 H new ATOM 0 HG21 VAL A 68 1.402 4.674 4.316 1.00 0.52 H new ATOM 0 HG22 VAL A 68 1.441 6.380 4.821 1.00 0.52 H new ATOM 0 HG23 VAL A 68 2.820 5.313 5.180 1.00 0.52 H new ATOM 1039 N HIS A 69 3.700 6.991 7.295 1.00 0.62 N ATOM 1040 CA HIS A 69 5.147 7.086 7.361 1.00 0.73 C ATOM 1041 C HIS A 69 5.603 7.054 8.813 1.00 0.77 C ATOM 1042 O HIS A 69 5.475 8.042 9.534 1.00 0.84 O ATOM 1043 CB HIS A 69 5.620 8.373 6.679 1.00 0.82 C ATOM 1044 CG HIS A 69 7.065 8.356 6.285 1.00 0.94 C ATOM 1045 ND1 HIS A 69 7.444 8.220 4.972 1.00 1.39 N ATOM 1046 CD2 HIS A 69 8.176 8.463 7.055 1.00 1.09 C ATOM 1047 CE1 HIS A 69 8.764 8.248 4.970 1.00 1.37 C ATOM 1048 NE2 HIS A 69 9.253 8.394 6.209 1.00 1.17 N ATOM 0 H HIS A 69 3.238 7.831 6.945 1.00 0.62 H new ATOM 0 HA HIS A 69 5.585 6.236 6.839 1.00 0.73 H new ATOM 0 HB2 HIS A 69 5.013 8.545 5.790 1.00 0.82 H new ATOM 0 HB3 HIS A 69 5.447 9.213 7.351 1.00 0.82 H new ATOM 0 HD2 HIS A 69 8.207 8.580 8.128 1.00 1.09 H new ATOM 0 HE1 HIS A 69 9.373 8.164 4.082 1.00 1.37 H new ATOM 0 HE2 HIS A 69 10.237 8.444 6.472 1.00 1.17 H new ATOM 1056 N GLY A 70 6.110 5.911 9.243 1.00 0.80 N ATOM 1057 CA GLY A 70 6.569 5.779 10.606 1.00 0.89 C ATOM 1058 C GLY A 70 5.998 4.564 11.303 1.00 0.86 C ATOM 1059 O GLY A 70 6.595 4.063 12.257 1.00 0.98 O ATOM 0 H GLY A 70 6.212 5.072 8.672 1.00 0.80 H new ATOM 0 HA2 GLY A 70 7.657 5.718 10.614 1.00 0.89 H new ATOM 0 HA3 GLY A 70 6.296 6.674 11.165 1.00 0.89 H new ATOM 1063 N LEU A 71 4.847 4.080 10.844 1.00 0.74 N ATOM 1064 CA LEU A 71 4.232 2.913 11.462 1.00 0.72 C ATOM 1065 C LEU A 71 4.869 1.622 10.979 1.00 0.73 C ATOM 1066 O LEU A 71 5.901 1.614 10.306 1.00 0.82 O ATOM 1067 CB LEU A 71 2.744 2.819 11.140 1.00 0.67 C ATOM 1068 CG LEU A 71 1.967 4.111 11.096 1.00 0.57 C ATOM 1069 CD1 LEU A 71 0.608 3.855 10.484 1.00 0.47 C ATOM 1070 CD2 LEU A 71 1.834 4.720 12.483 1.00 0.83 C ATOM 0 H LEU A 71 4.329 4.472 10.058 1.00 0.74 H new ATOM 0 HA LEU A 71 4.383 3.038 12.534 1.00 0.72 H new ATOM 0 HB2 LEU A 71 2.638 2.327 10.173 1.00 0.67 H new ATOM 0 HB3 LEU A 71 2.278 2.169 11.881 1.00 0.67 H new ATOM 0 HG LEU A 71 2.508 4.829 10.480 1.00 0.57 H new ATOM 0 HD11 LEU A 71 0.043 4.786 10.450 1.00 0.47 H new ATOM 0 HD12 LEU A 71 0.732 3.469 9.472 1.00 0.47 H new ATOM 0 HD13 LEU A 71 0.069 3.125 11.088 1.00 0.47 H new ATOM 0 HD21 LEU A 71 1.269 5.650 12.419 1.00 0.83 H new ATOM 0 HD22 LEU A 71 1.312 4.023 13.138 1.00 0.83 H new ATOM 0 HD23 LEU A 71 2.825 4.924 12.887 1.00 0.83 H new ATOM 1082 N VAL A 72 4.215 0.532 11.330 1.00 0.68 N ATOM 1083 CA VAL A 72 4.633 -0.794 10.934 1.00 0.68 C ATOM 1084 C VAL A 72 3.728 -1.275 9.813 1.00 0.59 C ATOM 1085 O VAL A 72 2.763 -0.595 9.458 1.00 0.52 O ATOM 1086 CB VAL A 72 4.549 -1.782 12.109 1.00 0.72 C ATOM 1087 CG1 VAL A 72 5.524 -1.390 13.211 1.00 0.82 C ATOM 1088 CG2 VAL A 72 3.123 -1.845 12.639 1.00 0.69 C ATOM 0 H VAL A 72 3.371 0.545 11.903 1.00 0.68 H new ATOM 0 HA VAL A 72 5.670 -0.748 10.603 1.00 0.68 H new ATOM 0 HB VAL A 72 4.828 -2.774 11.754 1.00 0.72 H new ATOM 0 HG11 VAL A 72 5.449 -2.102 14.033 1.00 0.82 H new ATOM 0 HG12 VAL A 72 6.540 -1.397 12.817 1.00 0.82 H new ATOM 0 HG13 VAL A 72 5.282 -0.391 13.573 1.00 0.82 H new ATOM 0 HG21 VAL A 72 3.075 -2.548 13.471 1.00 0.69 H new ATOM 0 HG22 VAL A 72 2.818 -0.856 12.981 1.00 0.69 H new ATOM 0 HG23 VAL A 72 2.454 -2.176 11.845 1.00 0.69 H new ATOM 1098 N HIS A 73 4.020 -2.447 9.283 1.00 0.60 N ATOM 1099 CA HIS A 73 3.236 -3.018 8.203 1.00 0.53 C ATOM 1100 C HIS A 73 1.789 -3.252 8.632 1.00 0.44 C ATOM 1101 O HIS A 73 0.857 -2.967 7.889 1.00 0.36 O ATOM 1102 CB HIS A 73 3.866 -4.334 7.746 1.00 0.60 C ATOM 1103 CG HIS A 73 3.183 -4.956 6.571 1.00 0.58 C ATOM 1104 ND1 HIS A 73 2.944 -4.304 5.383 1.00 0.58 N ATOM 1105 CD2 HIS A 73 2.688 -6.207 6.419 1.00 0.58 C ATOM 1106 CE1 HIS A 73 2.324 -5.160 4.565 1.00 0.58 C ATOM 1107 NE2 HIS A 73 2.146 -6.331 5.145 1.00 0.58 N ATOM 0 H HIS A 73 4.802 -3.028 9.586 1.00 0.60 H new ATOM 0 HA HIS A 73 3.231 -2.310 7.374 1.00 0.53 H new ATOM 0 HB2 HIS A 73 4.912 -4.157 7.494 1.00 0.60 H new ATOM 0 HB3 HIS A 73 3.853 -5.040 8.577 1.00 0.60 H new ATOM 0 HD1 HIS A 73 3.195 -3.340 5.166 1.00 0.58 H new ATOM 0 HD2 HIS A 73 2.711 -6.985 7.168 1.00 0.58 H new ATOM 0 HE1 HIS A 73 2.009 -4.923 3.559 1.00 0.58 H new ATOM 1115 N THR A 74 1.606 -3.749 9.841 1.00 0.48 N ATOM 1116 CA THR A 74 0.275 -4.032 10.349 1.00 0.44 C ATOM 1117 C THR A 74 -0.493 -2.772 10.738 1.00 0.41 C ATOM 1118 O THR A 74 -1.719 -2.760 10.671 1.00 0.39 O ATOM 1119 CB THR A 74 0.350 -4.984 11.542 1.00 0.52 C ATOM 1120 OG1 THR A 74 1.496 -4.663 12.343 1.00 0.57 O ATOM 1121 CG2 THR A 74 0.450 -6.420 11.063 1.00 0.57 C ATOM 0 H THR A 74 2.362 -3.965 10.490 1.00 0.48 H new ATOM 0 HA THR A 74 -0.274 -4.504 9.534 1.00 0.44 H new ATOM 0 HB THR A 74 -0.555 -4.873 12.139 1.00 0.52 H new ATOM 0 HG1 THR A 74 1.541 -5.273 13.108 1.00 0.57 H new ATOM 0 HG21 THR A 74 0.503 -7.088 11.923 1.00 0.57 H new ATOM 0 HG22 THR A 74 -0.428 -6.666 10.466 1.00 0.57 H new ATOM 0 HG23 THR A 74 1.347 -6.539 10.456 1.00 0.57 H new ATOM 1129 N GLU A 75 0.209 -1.706 11.125 1.00 0.45 N ATOM 1130 CA GLU A 75 -0.465 -0.476 11.502 1.00 0.46 C ATOM 1131 C GLU A 75 -1.234 0.081 10.326 1.00 0.37 C ATOM 1132 O GLU A 75 -2.386 0.499 10.457 1.00 0.38 O ATOM 1133 CB GLU A 75 0.504 0.578 12.022 1.00 0.53 C ATOM 1134 CG GLU A 75 0.899 0.351 13.465 1.00 0.66 C ATOM 1135 CD GLU A 75 -0.190 0.770 14.431 1.00 0.74 C ATOM 1136 OE1 GLU A 75 -1.239 0.096 14.478 1.00 0.88 O ATOM 1137 OE2 GLU A 75 -0.006 1.774 15.145 1.00 0.80 O ATOM 0 H GLU A 75 1.227 -1.674 11.183 1.00 0.45 H new ATOM 0 HA GLU A 75 -1.152 -0.724 12.311 1.00 0.46 H new ATOM 0 HB2 GLU A 75 1.400 0.579 11.401 1.00 0.53 H new ATOM 0 HB3 GLU A 75 0.048 1.563 11.926 1.00 0.53 H new ATOM 0 HG2 GLU A 75 1.129 -0.704 13.615 1.00 0.66 H new ATOM 0 HG3 GLU A 75 1.809 0.910 13.683 1.00 0.66 H new ATOM 1144 N VAL A 76 -0.591 0.068 9.174 1.00 0.32 N ATOM 1145 CA VAL A 76 -1.212 0.564 7.960 1.00 0.25 C ATOM 1146 C VAL A 76 -2.279 -0.417 7.484 1.00 0.20 C ATOM 1147 O VAL A 76 -3.318 -0.007 6.977 1.00 0.21 O ATOM 1148 CB VAL A 76 -0.169 0.844 6.857 1.00 0.26 C ATOM 1149 CG1 VAL A 76 0.919 1.749 7.405 1.00 0.37 C ATOM 1150 CG2 VAL A 76 0.439 -0.437 6.315 1.00 0.28 C ATOM 0 H VAL A 76 0.360 -0.280 9.053 1.00 0.32 H new ATOM 0 HA VAL A 76 -1.691 1.517 8.185 1.00 0.25 H new ATOM 0 HB VAL A 76 -0.678 1.338 6.029 1.00 0.26 H new ATOM 0 HG11 VAL A 76 1.655 1.946 6.626 1.00 0.37 H new ATOM 0 HG12 VAL A 76 0.478 2.690 7.734 1.00 0.37 H new ATOM 0 HG13 VAL A 76 1.406 1.262 8.249 1.00 0.37 H new ATOM 0 HG21 VAL A 76 1.168 -0.195 5.541 1.00 0.28 H new ATOM 0 HG22 VAL A 76 0.934 -0.975 7.123 1.00 0.28 H new ATOM 0 HG23 VAL A 76 -0.347 -1.062 5.891 1.00 0.28 H new ATOM 1160 N VAL A 77 -2.023 -1.712 7.683 1.00 0.21 N ATOM 1161 CA VAL A 77 -2.975 -2.755 7.316 1.00 0.20 C ATOM 1162 C VAL A 77 -4.283 -2.528 8.061 1.00 0.26 C ATOM 1163 O VAL A 77 -5.363 -2.515 7.461 1.00 0.29 O ATOM 1164 CB VAL A 77 -2.409 -4.162 7.636 1.00 0.25 C ATOM 1165 CG1 VAL A 77 -3.513 -5.199 7.775 1.00 0.28 C ATOM 1166 CG2 VAL A 77 -1.418 -4.593 6.567 1.00 0.28 C ATOM 0 H VAL A 77 -1.159 -2.061 8.098 1.00 0.21 H new ATOM 0 HA VAL A 77 -3.155 -2.705 6.242 1.00 0.20 H new ATOM 0 HB VAL A 77 -1.895 -4.095 8.595 1.00 0.25 H new ATOM 0 HG11 VAL A 77 -3.073 -6.171 7.999 1.00 0.28 H new ATOM 0 HG12 VAL A 77 -4.184 -4.909 8.583 1.00 0.28 H new ATOM 0 HG13 VAL A 77 -4.074 -5.261 6.842 1.00 0.28 H new ATOM 0 HG21 VAL A 77 -1.031 -5.583 6.808 1.00 0.28 H new ATOM 0 HG22 VAL A 77 -1.918 -4.625 5.599 1.00 0.28 H new ATOM 0 HG23 VAL A 77 -0.594 -3.881 6.527 1.00 0.28 H new ATOM 1176 N GLU A 78 -4.171 -2.338 9.369 1.00 0.33 N ATOM 1177 CA GLU A 78 -5.328 -2.071 10.204 1.00 0.43 C ATOM 1178 C GLU A 78 -6.007 -0.806 9.753 1.00 0.45 C ATOM 1179 O GLU A 78 -7.220 -0.758 9.598 1.00 0.51 O ATOM 1180 CB GLU A 78 -4.915 -1.925 11.643 1.00 0.52 C ATOM 1181 CG GLU A 78 -4.367 -3.194 12.213 1.00 0.58 C ATOM 1182 CD GLU A 78 -4.307 -3.182 13.724 1.00 0.79 C ATOM 1183 OE1 GLU A 78 -5.275 -2.715 14.357 1.00 1.32 O ATOM 1184 OE2 GLU A 78 -3.289 -3.632 14.288 1.00 1.12 O ATOM 0 H GLU A 78 -3.285 -2.365 9.874 1.00 0.33 H new ATOM 0 HA GLU A 78 -6.018 -2.910 10.113 1.00 0.43 H new ATOM 0 HB2 GLU A 78 -4.163 -1.140 11.724 1.00 0.52 H new ATOM 0 HB3 GLU A 78 -5.774 -1.606 12.234 1.00 0.52 H new ATOM 0 HG2 GLU A 78 -4.985 -4.030 11.885 1.00 0.58 H new ATOM 0 HG3 GLU A 78 -3.366 -3.362 11.816 1.00 0.58 H new ATOM 1191 N LEU A 79 -5.193 0.215 9.584 1.00 0.42 N ATOM 1192 CA LEU A 79 -5.654 1.524 9.117 1.00 0.47 C ATOM 1193 C LEU A 79 -6.610 1.353 7.942 1.00 0.48 C ATOM 1194 O LEU A 79 -7.736 1.851 7.968 1.00 0.58 O ATOM 1195 CB LEU A 79 -4.467 2.385 8.701 1.00 0.42 C ATOM 1196 CG LEU A 79 -4.437 3.787 9.299 1.00 0.50 C ATOM 1197 CD1 LEU A 79 -4.032 3.735 10.764 1.00 0.57 C ATOM 1198 CD2 LEU A 79 -3.488 4.662 8.507 1.00 0.46 C ATOM 0 H LEU A 79 -4.190 0.170 9.764 1.00 0.42 H new ATOM 0 HA LEU A 79 -6.179 2.021 9.933 1.00 0.47 H new ATOM 0 HB2 LEU A 79 -3.549 1.869 8.981 1.00 0.42 H new ATOM 0 HB3 LEU A 79 -4.465 2.471 7.614 1.00 0.42 H new ATOM 0 HG LEU A 79 -5.437 4.218 9.244 1.00 0.50 H new ATOM 0 HD11 LEU A 79 -4.016 4.745 11.173 1.00 0.57 H new ATOM 0 HD12 LEU A 79 -4.749 3.130 11.319 1.00 0.57 H new ATOM 0 HD13 LEU A 79 -3.040 3.293 10.852 1.00 0.57 H new ATOM 0 HD21 LEU A 79 -3.470 5.663 8.938 1.00 0.46 H new ATOM 0 HD22 LEU A 79 -2.486 4.235 8.540 1.00 0.46 H new ATOM 0 HD23 LEU A 79 -3.824 4.719 7.472 1.00 0.46 H new ATOM 1210 N ILE A 80 -6.142 0.655 6.908 1.00 0.40 N ATOM 1211 CA ILE A 80 -6.950 0.359 5.749 1.00 0.45 C ATOM 1212 C ILE A 80 -8.237 -0.345 6.158 1.00 0.52 C ATOM 1213 O ILE A 80 -9.329 0.083 5.804 1.00 0.63 O ATOM 1214 CB ILE A 80 -6.155 -0.543 4.808 1.00 0.37 C ATOM 1215 CG1 ILE A 80 -4.910 0.196 4.347 1.00 0.33 C ATOM 1216 CG2 ILE A 80 -7.008 -0.994 3.639 1.00 0.46 C ATOM 1217 CD1 ILE A 80 -3.764 -0.719 4.029 1.00 0.27 C ATOM 0 H ILE A 80 -5.193 0.284 6.860 1.00 0.40 H new ATOM 0 HA ILE A 80 -7.209 1.292 5.248 1.00 0.45 H new ATOM 0 HB ILE A 80 -5.849 -1.445 5.338 1.00 0.37 H new ATOM 0 HG12 ILE A 80 -5.152 0.786 3.463 1.00 0.33 H new ATOM 0 HG13 ILE A 80 -4.603 0.897 5.123 1.00 0.33 H new ATOM 0 HG21 ILE A 80 -6.418 -1.635 2.984 1.00 0.46 H new ATOM 0 HG22 ILE A 80 -7.870 -1.549 4.010 1.00 0.46 H new ATOM 0 HG23 ILE A 80 -7.351 -0.123 3.081 1.00 0.46 H new ATOM 0 HD11 ILE A 80 -2.906 -0.129 3.706 1.00 0.27 H new ATOM 0 HD12 ILE A 80 -3.497 -1.291 4.918 1.00 0.27 H new ATOM 0 HD13 ILE A 80 -4.055 -1.403 3.232 1.00 0.27 H new ATOM 1229 N LEU A 81 -8.089 -1.435 6.894 1.00 0.48 N ATOM 1230 CA LEU A 81 -9.229 -2.217 7.380 1.00 0.56 C ATOM 1231 C LEU A 81 -10.258 -1.354 8.134 1.00 0.68 C ATOM 1232 O LEU A 81 -11.467 -1.527 7.960 1.00 0.78 O ATOM 1233 CB LEU A 81 -8.728 -3.335 8.299 1.00 0.52 C ATOM 1234 CG LEU A 81 -8.047 -4.508 7.591 1.00 0.51 C ATOM 1235 CD1 LEU A 81 -7.343 -5.405 8.598 1.00 0.48 C ATOM 1236 CD2 LEU A 81 -9.066 -5.301 6.791 1.00 0.68 C ATOM 0 H LEU A 81 -7.181 -1.807 7.174 1.00 0.48 H new ATOM 0 HA LEU A 81 -9.732 -2.636 6.508 1.00 0.56 H new ATOM 0 HB2 LEU A 81 -8.026 -2.907 9.015 1.00 0.52 H new ATOM 0 HB3 LEU A 81 -9.573 -3.718 8.871 1.00 0.52 H new ATOM 0 HG LEU A 81 -7.298 -4.112 6.905 1.00 0.51 H new ATOM 0 HD11 LEU A 81 -6.865 -6.233 8.075 1.00 0.48 H new ATOM 0 HD12 LEU A 81 -6.588 -4.829 9.133 1.00 0.48 H new ATOM 0 HD13 LEU A 81 -8.071 -5.796 9.308 1.00 0.48 H new ATOM 0 HD21 LEU A 81 -8.569 -6.133 6.292 1.00 0.68 H new ATOM 0 HD22 LEU A 81 -9.834 -5.687 7.461 1.00 0.68 H new ATOM 0 HD23 LEU A 81 -9.527 -4.653 6.045 1.00 0.68 H new ATOM 1248 N LYS A 82 -9.774 -0.431 8.963 1.00 0.68 N ATOM 1249 CA LYS A 82 -10.633 0.441 9.761 1.00 0.80 C ATOM 1250 C LYS A 82 -11.383 1.503 8.951 1.00 0.87 C ATOM 1251 O LYS A 82 -12.163 2.269 9.520 1.00 1.00 O ATOM 1252 CB LYS A 82 -9.808 1.114 10.841 1.00 0.77 C ATOM 1253 CG LYS A 82 -9.143 0.103 11.740 1.00 0.75 C ATOM 1254 CD LYS A 82 -8.580 0.734 13.004 1.00 0.77 C ATOM 1255 CE LYS A 82 -7.357 1.594 12.717 1.00 0.78 C ATOM 1256 NZ LYS A 82 -6.889 2.325 13.926 1.00 0.88 N ATOM 0 H LYS A 82 -8.777 -0.267 9.100 1.00 0.68 H new ATOM 0 HA LYS A 82 -11.399 -0.203 10.193 1.00 0.80 H new ATOM 0 HB2 LYS A 82 -9.050 1.746 10.380 1.00 0.77 H new ATOM 0 HB3 LYS A 82 -10.448 1.766 11.436 1.00 0.77 H new ATOM 0 HG2 LYS A 82 -9.864 -0.668 12.012 1.00 0.75 H new ATOM 0 HG3 LYS A 82 -8.339 -0.391 11.195 1.00 0.75 H new ATOM 0 HD2 LYS A 82 -9.349 1.344 13.478 1.00 0.77 H new ATOM 0 HD3 LYS A 82 -8.313 -0.050 13.713 1.00 0.77 H new ATOM 0 HE2 LYS A 82 -6.551 0.963 12.341 1.00 0.78 H new ATOM 0 HE3 LYS A 82 -7.595 2.310 11.930 1.00 0.78 H new ATOM 0 HZ1 LYS A 82 -6.055 2.897 13.684 1.00 0.88 H new ATOM 0 HZ2 LYS A 82 -7.648 2.947 14.271 1.00 0.88 H new ATOM 0 HZ3 LYS A 82 -6.637 1.642 14.669 1.00 0.88 H new ATOM 1270 N SER A 83 -11.116 1.585 7.652 1.00 0.82 N ATOM 1271 CA SER A 83 -11.792 2.549 6.784 1.00 0.90 C ATOM 1272 C SER A 83 -13.317 2.451 6.910 1.00 1.02 C ATOM 1273 O SER A 83 -13.974 3.371 7.405 1.00 1.08 O ATOM 1274 CB SER A 83 -11.380 2.317 5.332 1.00 0.85 C ATOM 1275 OG SER A 83 -11.599 0.970 4.946 1.00 0.78 O ATOM 0 H SER A 83 -10.435 0.995 7.174 1.00 0.82 H new ATOM 0 HA SER A 83 -11.492 3.549 7.099 1.00 0.90 H new ATOM 0 HB2 SER A 83 -11.946 2.982 4.680 1.00 0.85 H new ATOM 0 HB3 SER A 83 -10.327 2.568 5.205 1.00 0.85 H new ATOM 0 HG SER A 83 -10.955 0.390 5.404 1.00 0.78 H new ATOM 1281 N GLY A 84 -13.870 1.334 6.461 1.00 1.06 N ATOM 1282 CA GLY A 84 -15.299 1.132 6.529 1.00 1.18 C ATOM 1283 C GLY A 84 -15.973 1.363 5.192 1.00 1.22 C ATOM 1284 O GLY A 84 -16.210 2.509 4.801 1.00 1.29 O ATOM 0 H GLY A 84 -13.349 0.560 6.048 1.00 1.06 H new ATOM 0 HA2 GLY A 84 -15.505 0.117 6.867 1.00 1.18 H new ATOM 0 HA3 GLY A 84 -15.725 1.808 7.271 1.00 1.18 H new ATOM 1288 N ASN A 85 -16.251 0.262 4.485 1.00 1.19 N ATOM 1289 CA ASN A 85 -16.908 0.283 3.168 1.00 1.25 C ATOM 1290 C ASN A 85 -15.951 0.722 2.059 1.00 1.19 C ATOM 1291 O ASN A 85 -15.941 0.132 0.982 1.00 1.19 O ATOM 1292 CB ASN A 85 -18.179 1.149 3.190 1.00 1.40 C ATOM 1293 CG ASN A 85 -18.475 1.830 1.865 1.00 1.45 C ATOM 1294 OD1 ASN A 85 -18.119 2.989 1.659 1.00 1.48 O ATOM 1295 ND2 ASN A 85 -19.136 1.127 0.964 1.00 1.50 N ATOM 0 H ASN A 85 -16.025 -0.678 4.811 1.00 1.19 H new ATOM 0 HA ASN A 85 -17.209 -0.740 2.943 1.00 1.25 H new ATOM 0 HB2 ASN A 85 -19.029 0.525 3.466 1.00 1.40 H new ATOM 0 HB3 ASN A 85 -18.077 1.909 3.965 1.00 1.40 H new ATOM 0 HD21 ASN A 85 -19.367 1.543 0.062 1.00 1.50 H new ATOM 0 HD22 ASN A 85 -19.415 0.168 1.170 1.00 1.50 H new ATOM 1302 N LYS A 86 -15.151 1.739 2.319 1.00 1.14 N ATOM 1303 CA LYS A 86 -14.194 2.222 1.360 1.00 1.10 C ATOM 1304 C LYS A 86 -13.018 2.818 2.068 1.00 1.02 C ATOM 1305 O LYS A 86 -13.121 3.273 3.204 1.00 1.04 O ATOM 1306 CB LYS A 86 -14.791 3.272 0.454 1.00 1.19 C ATOM 1307 CG LYS A 86 -15.254 4.498 1.201 1.00 1.28 C ATOM 1308 CD LYS A 86 -16.265 5.284 0.400 1.00 1.38 C ATOM 1309 CE LYS A 86 -16.319 6.737 0.840 1.00 1.44 C ATOM 1310 NZ LYS A 86 -17.160 7.557 -0.067 1.00 1.58 N ATOM 0 H LYS A 86 -15.152 2.249 3.203 1.00 1.14 H new ATOM 0 HA LYS A 86 -13.885 1.371 0.754 1.00 1.10 H new ATOM 0 HB2 LYS A 86 -14.051 3.565 -0.291 1.00 1.19 H new ATOM 0 HB3 LYS A 86 -15.634 2.842 -0.086 1.00 1.19 H new ATOM 0 HG2 LYS A 86 -15.694 4.201 2.153 1.00 1.28 H new ATOM 0 HG3 LYS A 86 -14.397 5.132 1.430 1.00 1.28 H new ATOM 0 HD2 LYS A 86 -16.010 5.233 -0.659 1.00 1.38 H new ATOM 0 HD3 LYS A 86 -17.250 4.832 0.513 1.00 1.38 H new ATOM 0 HE2 LYS A 86 -16.715 6.795 1.854 1.00 1.44 H new ATOM 0 HE3 LYS A 86 -15.309 7.146 0.868 1.00 1.44 H new ATOM 0 HZ1 LYS A 86 -17.172 8.542 0.267 1.00 1.58 H new ATOM 0 HZ2 LYS A 86 -16.768 7.522 -1.030 1.00 1.58 H new ATOM 0 HZ3 LYS A 86 -18.130 7.182 -0.074 1.00 1.58 H new ATOM 1324 N VAL A 87 -11.923 2.837 1.371 1.00 0.95 N ATOM 1325 CA VAL A 87 -10.695 3.368 1.915 1.00 0.87 C ATOM 1326 C VAL A 87 -9.981 4.252 0.904 1.00 0.88 C ATOM 1327 O VAL A 87 -9.779 3.865 -0.247 1.00 0.91 O ATOM 1328 CB VAL A 87 -9.778 2.218 2.372 1.00 0.76 C ATOM 1329 CG1 VAL A 87 -9.543 1.236 1.237 1.00 0.75 C ATOM 1330 CG2 VAL A 87 -8.459 2.747 2.908 1.00 0.68 C ATOM 0 H VAL A 87 -11.848 2.489 0.415 1.00 0.95 H new ATOM 0 HA VAL A 87 -10.944 3.986 2.778 1.00 0.87 H new ATOM 0 HB VAL A 87 -10.280 1.691 3.183 1.00 0.76 H new ATOM 0 HG11 VAL A 87 -8.893 0.431 1.581 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -10.497 0.819 0.914 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -9.071 1.752 0.401 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -7.833 1.912 3.223 1.00 0.68 H new ATOM 0 HG22 VAL A 87 -7.948 3.309 2.126 1.00 0.68 H new ATOM 0 HG23 VAL A 87 -8.648 3.400 3.760 1.00 0.68 H new ATOM 1340 N ALA A 88 -9.635 5.452 1.331 1.00 0.87 N ATOM 1341 CA ALA A 88 -8.928 6.386 0.477 1.00 0.89 C ATOM 1342 C ALA A 88 -7.440 6.203 0.651 1.00 0.80 C ATOM 1343 O ALA A 88 -6.856 6.612 1.655 1.00 0.76 O ATOM 1344 CB ALA A 88 -9.320 7.816 0.771 1.00 0.96 C ATOM 0 H ALA A 88 -9.833 5.803 2.268 1.00 0.87 H new ATOM 0 HA ALA A 88 -9.203 6.178 -0.557 1.00 0.89 H new ATOM 0 HB1 ALA A 88 -8.770 8.487 0.111 1.00 0.96 H new ATOM 0 HB2 ALA A 88 -10.390 7.941 0.605 1.00 0.96 H new ATOM 0 HB3 ALA A 88 -9.083 8.052 1.808 1.00 0.96 H new ATOM 1350 N ILE A 89 -6.836 5.583 -0.329 1.00 0.79 N ATOM 1351 CA ILE A 89 -5.412 5.311 -0.294 1.00 0.72 C ATOM 1352 C ILE A 89 -4.645 6.308 -1.150 1.00 0.78 C ATOM 1353 O ILE A 89 -4.734 6.284 -2.373 1.00 0.86 O ATOM 1354 CB ILE A 89 -5.096 3.880 -0.771 1.00 0.70 C ATOM 1355 CG1 ILE A 89 -5.967 2.859 -0.030 1.00 0.66 C ATOM 1356 CG2 ILE A 89 -3.631 3.577 -0.571 1.00 0.67 C ATOM 1357 CD1 ILE A 89 -5.344 1.484 0.118 1.00 0.60 C ATOM 0 H ILE A 89 -7.308 5.252 -1.171 1.00 0.79 H new ATOM 0 HA ILE A 89 -5.096 5.410 0.744 1.00 0.72 H new ATOM 0 HB ILE A 89 -5.323 3.809 -1.835 1.00 0.70 H new ATOM 0 HG12 ILE A 89 -6.195 3.248 0.962 1.00 0.66 H new ATOM 0 HG13 ILE A 89 -6.915 2.759 -0.559 1.00 0.66 H new ATOM 0 HG21 ILE A 89 -3.419 2.563 -0.911 1.00 0.67 H new ATOM 0 HG22 ILE A 89 -3.032 4.285 -1.144 1.00 0.67 H new ATOM 0 HG23 ILE A 89 -3.383 3.664 0.487 1.00 0.67 H new ATOM 0 HD11 ILE A 89 -6.031 0.829 0.654 1.00 0.60 H new ATOM 0 HD12 ILE A 89 -5.142 1.068 -0.869 1.00 0.60 H new ATOM 0 HD13 ILE A 89 -4.411 1.565 0.676 1.00 0.60 H new ATOM 1369 N SER A 90 -3.898 7.183 -0.502 1.00 0.75 N ATOM 1370 CA SER A 90 -3.114 8.187 -1.200 1.00 0.81 C ATOM 1371 C SER A 90 -1.861 7.547 -1.789 1.00 0.82 C ATOM 1372 O SER A 90 -0.979 7.099 -1.053 1.00 0.77 O ATOM 1373 CB SER A 90 -2.749 9.311 -0.234 1.00 0.79 C ATOM 1374 OG SER A 90 -3.837 9.613 0.626 1.00 0.82 O ATOM 0 H SER A 90 -3.817 7.219 0.514 1.00 0.75 H new ATOM 0 HA SER A 90 -3.699 8.608 -2.017 1.00 0.81 H new ATOM 0 HB2 SER A 90 -1.882 9.019 0.359 1.00 0.79 H new ATOM 0 HB3 SER A 90 -2.466 10.201 -0.796 1.00 0.79 H new ATOM 0 HG SER A 90 -3.802 10.559 0.878 1.00 0.82 H new ATOM 1380 N THR A 91 -1.797 7.489 -3.109 1.00 0.91 N ATOM 1381 CA THR A 91 -0.669 6.883 -3.789 1.00 0.95 C ATOM 1382 C THR A 91 0.272 7.929 -4.386 1.00 1.04 C ATOM 1383 O THR A 91 -0.094 9.091 -4.567 1.00 1.09 O ATOM 1384 CB THR A 91 -1.157 5.945 -4.909 1.00 1.02 C ATOM 1385 OG1 THR A 91 -2.338 6.486 -5.515 1.00 1.06 O ATOM 1386 CG2 THR A 91 -1.460 4.555 -4.371 1.00 0.97 C ATOM 0 H THR A 91 -2.517 7.856 -3.731 1.00 0.91 H new ATOM 0 HA THR A 91 -0.117 6.314 -3.041 1.00 0.95 H new ATOM 0 HB THR A 91 -0.362 5.863 -5.650 1.00 1.02 H new ATOM 0 HG1 THR A 91 -2.644 5.887 -6.228 1.00 1.06 H new ATOM 0 HG21 THR A 91 -1.802 3.916 -5.185 1.00 0.97 H new ATOM 0 HG22 THR A 91 -0.558 4.130 -3.931 1.00 0.97 H new ATOM 0 HG23 THR A 91 -2.238 4.621 -3.610 1.00 0.97 H new ATOM 1394 N THR A 92 1.489 7.496 -4.666 1.00 1.10 N ATOM 1395 CA THR A 92 2.518 8.336 -5.254 1.00 1.19 C ATOM 1396 C THR A 92 3.581 7.426 -5.865 1.00 1.24 C ATOM 1397 O THR A 92 3.741 6.297 -5.409 1.00 1.20 O ATOM 1398 CB THR A 92 3.147 9.289 -4.198 1.00 1.16 C ATOM 1399 OG1 THR A 92 4.305 9.950 -4.729 1.00 1.24 O ATOM 1400 CG2 THR A 92 3.532 8.538 -2.931 1.00 1.08 C ATOM 0 H THR A 92 1.794 6.539 -4.489 1.00 1.10 H new ATOM 0 HA THR A 92 2.076 8.968 -6.024 1.00 1.19 H new ATOM 0 HB THR A 92 2.391 10.034 -3.948 1.00 1.16 H new ATOM 0 HG1 THR A 92 4.683 10.545 -4.048 1.00 1.24 H new ATOM 0 HG21 THR A 92 3.968 9.234 -2.214 1.00 1.08 H new ATOM 0 HG22 THR A 92 2.644 8.079 -2.496 1.00 1.08 H new ATOM 0 HG23 THR A 92 4.259 7.763 -3.174 1.00 1.08 H new ATOM 1408 N PRO A 93 4.275 7.865 -6.932 1.00 1.35 N ATOM 1409 CA PRO A 93 5.318 7.059 -7.587 1.00 1.42 C ATOM 1410 C PRO A 93 6.344 6.471 -6.620 1.00 1.38 C ATOM 1411 O PRO A 93 6.624 7.034 -5.560 1.00 1.33 O ATOM 1412 CB PRO A 93 6.009 8.058 -8.504 1.00 1.52 C ATOM 1413 CG PRO A 93 4.952 9.050 -8.841 1.00 1.52 C ATOM 1414 CD PRO A 93 4.078 9.160 -7.617 1.00 1.42 C ATOM 0 HA PRO A 93 4.879 6.196 -8.088 1.00 1.42 H new ATOM 0 HB2 PRO A 93 6.855 8.533 -8.007 1.00 1.52 H new ATOM 0 HB3 PRO A 93 6.397 7.572 -9.399 1.00 1.52 H new ATOM 0 HG2 PRO A 93 5.390 10.015 -9.095 1.00 1.52 H new ATOM 0 HG3 PRO A 93 4.373 8.725 -9.705 1.00 1.52 H new ATOM 0 HD2 PRO A 93 4.376 9.997 -6.986 1.00 1.42 H new ATOM 0 HD3 PRO A 93 3.033 9.318 -7.883 1.00 1.42 H new ATOM 1422 N LEU A 94 6.909 5.346 -7.022 1.00 1.42 N ATOM 1423 CA LEU A 94 7.923 4.652 -6.244 1.00 1.41 C ATOM 1424 C LEU A 94 9.236 4.669 -7.017 1.00 1.50 C ATOM 1425 O LEU A 94 9.576 3.723 -7.729 1.00 1.53 O ATOM 1426 CB LEU A 94 7.490 3.209 -5.938 1.00 1.39 C ATOM 1427 CG LEU A 94 8.588 2.282 -5.394 1.00 1.43 C ATOM 1428 CD1 LEU A 94 9.122 2.787 -4.061 1.00 1.38 C ATOM 1429 CD2 LEU A 94 8.062 0.863 -5.259 1.00 1.46 C ATOM 0 H LEU A 94 6.677 4.885 -7.902 1.00 1.42 H new ATOM 0 HA LEU A 94 8.056 5.162 -5.290 1.00 1.41 H new ATOM 0 HB2 LEU A 94 6.676 3.240 -5.214 1.00 1.39 H new ATOM 0 HB3 LEU A 94 7.089 2.769 -6.851 1.00 1.39 H new ATOM 0 HG LEU A 94 9.414 2.281 -6.105 1.00 1.43 H new ATOM 0 HD11 LEU A 94 9.897 2.111 -3.700 1.00 1.38 H new ATOM 0 HD12 LEU A 94 9.542 3.784 -4.192 1.00 1.38 H new ATOM 0 HD13 LEU A 94 8.310 2.827 -3.335 1.00 1.38 H new ATOM 0 HD21 LEU A 94 8.851 0.218 -4.873 1.00 1.46 H new ATOM 0 HD22 LEU A 94 7.216 0.852 -4.572 1.00 1.46 H new ATOM 0 HD23 LEU A 94 7.742 0.499 -6.235 1.00 1.46 H new ATOM 1441 N GLU A 95 9.946 5.772 -6.909 1.00 1.54 N ATOM 1442 CA GLU A 95 11.210 5.927 -7.598 1.00 1.63 C ATOM 1443 C GLU A 95 12.328 6.113 -6.586 1.00 1.62 C ATOM 1444 O GLU A 95 12.392 7.128 -5.887 1.00 1.54 O ATOM 1445 CB GLU A 95 11.153 7.112 -8.563 1.00 1.61 C ATOM 1446 CG GLU A 95 9.739 7.624 -8.830 1.00 1.66 C ATOM 1447 CD GLU A 95 9.633 8.441 -10.100 1.00 1.76 C ATOM 1448 OE1 GLU A 95 9.838 9.673 -10.041 1.00 1.92 O ATOM 1449 OE2 GLU A 95 9.331 7.856 -11.161 1.00 1.89 O ATOM 0 H GLU A 95 9.668 6.578 -6.348 1.00 1.54 H new ATOM 0 HA GLU A 95 11.409 5.027 -8.180 1.00 1.63 H new ATOM 0 HB2 GLU A 95 11.754 7.927 -8.159 1.00 1.61 H new ATOM 0 HB3 GLU A 95 11.608 6.820 -9.509 1.00 1.61 H new ATOM 0 HG2 GLU A 95 9.058 6.776 -8.893 1.00 1.66 H new ATOM 0 HG3 GLU A 95 9.414 8.232 -7.986 1.00 1.66 H new ATOM 1456 N ASN A 96 13.192 5.121 -6.499 1.00 1.75 N ATOM 1457 CA ASN A 96 14.311 5.148 -5.570 1.00 1.79 C ATOM 1458 C ASN A 96 15.567 4.644 -6.264 1.00 1.95 C ATOM 1459 O ASN A 96 16.391 5.480 -6.678 1.00 2.00 O ATOM 1460 CB ASN A 96 14.005 4.292 -4.333 1.00 1.81 C ATOM 1461 CG ASN A 96 15.087 4.383 -3.271 1.00 1.91 C ATOM 1462 OD1 ASN A 96 15.092 5.301 -2.451 1.00 1.90 O ATOM 1463 ND2 ASN A 96 16.000 3.426 -3.269 1.00 2.16 N ATOM 1464 OXT ASN A 96 15.706 3.417 -6.432 1.00 2.10 O ATOM 0 H ASN A 96 13.141 4.275 -7.067 1.00 1.75 H new ATOM 0 HA ASN A 96 14.473 6.175 -5.243 1.00 1.79 H new ATOM 0 HB2 ASN A 96 13.054 4.608 -3.904 1.00 1.81 H new ATOM 0 HB3 ASN A 96 13.887 3.252 -4.637 1.00 1.81 H new ATOM 0 HD21 ASN A 96 16.743 3.432 -2.570 1.00 2.16 H new ATOM 0 HD22 ASN A 96 15.961 2.682 -3.966 1.00 2.16 H new TER 1471 ASN A 96 ATOM 1472 N PRO B 97 10.875 -1.145 -12.010 1.00 5.31 N ATOM 1473 CA PRO B 97 9.846 -1.566 -11.037 1.00 4.47 C ATOM 1474 C PRO B 97 10.458 -2.463 -9.971 1.00 3.48 C ATOM 1475 O PRO B 97 11.509 -3.063 -10.185 1.00 3.61 O ATOM 1476 CB PRO B 97 8.735 -2.302 -11.774 1.00 4.90 C ATOM 1477 CG PRO B 97 9.275 -2.466 -13.152 1.00 5.81 C ATOM 1478 CD PRO B 97 10.288 -1.361 -13.346 1.00 6.03 C ATOM 0 HA PRO B 97 9.434 -0.686 -10.543 1.00 4.47 H new ATOM 0 HB2 PRO B 97 8.517 -3.265 -11.312 1.00 4.90 H new ATOM 0 HB3 PRO B 97 7.807 -1.731 -11.773 1.00 4.90 H new ATOM 0 HG2 PRO B 97 9.739 -3.445 -13.274 1.00 5.81 H new ATOM 0 HG3 PRO B 97 8.478 -2.397 -13.892 1.00 5.81 H new ATOM 0 HD2 PRO B 97 11.050 -1.647 -14.071 1.00 6.03 H new ATOM 0 HD3 PRO B 97 9.815 -0.453 -13.721 1.00 6.03 H new ATOM 1488 N PHE B 98 9.799 -2.542 -8.826 1.00 2.95 N ATOM 1489 CA PHE B 98 10.272 -3.367 -7.722 1.00 2.19 C ATOM 1490 C PHE B 98 9.604 -4.735 -7.764 1.00 2.34 C ATOM 1491 O PHE B 98 8.379 -4.835 -7.661 1.00 3.29 O ATOM 1492 CB PHE B 98 9.970 -2.691 -6.382 1.00 2.00 C ATOM 1493 CG PHE B 98 10.943 -1.613 -5.989 1.00 1.87 C ATOM 1494 CD1 PHE B 98 11.359 -0.669 -6.916 1.00 2.36 C ATOM 1495 CD2 PHE B 98 11.451 -1.548 -4.702 1.00 2.19 C ATOM 1496 CE1 PHE B 98 12.262 0.317 -6.564 1.00 3.10 C ATOM 1497 CE2 PHE B 98 12.350 -0.564 -4.344 1.00 2.98 C ATOM 1498 CZ PHE B 98 12.727 0.388 -5.250 1.00 3.41 C ATOM 0 H PHE B 98 8.930 -2.043 -8.635 1.00 2.95 H new ATOM 0 HA PHE B 98 11.350 -3.490 -7.823 1.00 2.19 H new ATOM 0 HB2 PHE B 98 8.969 -2.261 -6.425 1.00 2.00 H new ATOM 0 HB3 PHE B 98 9.957 -3.452 -5.601 1.00 2.00 H new ATOM 0 HD1 PHE B 98 10.973 -0.705 -7.924 1.00 2.36 H new ATOM 0 HD2 PHE B 98 11.139 -2.277 -3.969 1.00 2.19 H new ATOM 0 HE1 PHE B 98 12.605 1.028 -7.301 1.00 3.10 H new ATOM 0 HE2 PHE B 98 12.757 -0.546 -3.344 1.00 2.98 H new ATOM 0 HZ PHE B 98 13.382 1.192 -4.950 1.00 3.41 H new ATOM 1508 N ASP B 99 10.406 -5.783 -7.918 1.00 2.17 N ATOM 1509 CA ASP B 99 9.884 -7.143 -7.973 1.00 3.06 C ATOM 1510 C ASP B 99 10.959 -8.157 -7.585 1.00 2.89 C ATOM 1511 O ASP B 99 12.100 -8.076 -8.045 1.00 3.22 O ATOM 1512 CB ASP B 99 9.324 -7.460 -9.370 1.00 3.92 C ATOM 1513 CG ASP B 99 10.373 -7.963 -10.346 1.00 4.49 C ATOM 1514 OD1 ASP B 99 11.221 -7.160 -10.783 1.00 4.56 O ATOM 1515 OD2 ASP B 99 10.343 -9.167 -10.687 1.00 5.16 O ATOM 0 H ASP B 99 11.420 -5.716 -8.007 1.00 2.17 H new ATOM 0 HA ASP B 99 9.069 -7.217 -7.253 1.00 3.06 H new ATOM 0 HB2 ASP B 99 8.538 -8.210 -9.276 1.00 3.92 H new ATOM 0 HB3 ASP B 99 8.860 -6.562 -9.779 1.00 3.92 H new ATOM 1520 N GLU B 100 10.579 -9.085 -6.706 1.00 2.79 N ATOM 1521 CA GLU B 100 11.464 -10.154 -6.228 1.00 2.70 C ATOM 1522 C GLU B 100 12.808 -9.635 -5.712 1.00 2.21 C ATOM 1523 O GLU B 100 13.820 -10.334 -5.782 1.00 2.92 O ATOM 1524 CB GLU B 100 11.689 -11.179 -7.336 1.00 3.56 C ATOM 1525 CG GLU B 100 10.904 -12.465 -7.141 1.00 4.43 C ATOM 1526 CD GLU B 100 9.425 -12.221 -6.920 1.00 4.76 C ATOM 1527 OE1 GLU B 100 8.692 -12.034 -7.913 1.00 5.22 O ATOM 1528 OE2 GLU B 100 8.986 -12.224 -5.750 1.00 4.88 O ATOM 0 H GLU B 100 9.643 -9.118 -6.302 1.00 2.79 H new ATOM 0 HA GLU B 100 10.963 -10.623 -5.381 1.00 2.70 H new ATOM 0 HB2 GLU B 100 11.412 -10.735 -8.292 1.00 3.56 H new ATOM 0 HB3 GLU B 100 12.752 -11.416 -7.390 1.00 3.56 H new ATOM 0 HG2 GLU B 100 11.036 -13.102 -8.015 1.00 4.43 H new ATOM 0 HG3 GLU B 100 11.310 -13.007 -6.287 1.00 4.43 H new ATOM 1535 N ASP B 101 12.820 -8.421 -5.183 1.00 1.79 N ATOM 1536 CA ASP B 101 14.048 -7.842 -4.656 1.00 2.23 C ATOM 1537 C ASP B 101 14.015 -7.816 -3.130 1.00 2.11 C ATOM 1538 O ASP B 101 15.040 -8.006 -2.472 1.00 2.78 O ATOM 1539 CB ASP B 101 14.264 -6.432 -5.217 1.00 3.00 C ATOM 1540 CG ASP B 101 13.282 -5.416 -4.669 1.00 3.72 C ATOM 1541 OD1 ASP B 101 12.062 -5.674 -4.735 1.00 4.18 O ATOM 1542 OD2 ASP B 101 13.729 -4.357 -4.180 1.00 4.23 O ATOM 0 H ASP B 101 11.999 -7.820 -5.107 1.00 1.79 H new ATOM 0 HA ASP B 101 14.885 -8.466 -4.970 1.00 2.23 H new ATOM 0 HB2 ASP B 101 15.279 -6.108 -4.987 1.00 3.00 H new ATOM 0 HB3 ASP B 101 14.177 -6.463 -6.303 1.00 3.00 H new ATOM 1547 N GLN B 102 12.832 -7.584 -2.577 1.00 1.73 N ATOM 1548 CA GLN B 102 12.643 -7.540 -1.135 1.00 1.74 C ATOM 1549 C GLN B 102 11.450 -8.403 -0.740 1.00 1.55 C ATOM 1550 O GLN B 102 10.359 -8.244 -1.285 1.00 2.15 O ATOM 1551 CB GLN B 102 12.414 -6.099 -0.673 1.00 2.18 C ATOM 1552 CG GLN B 102 13.635 -5.211 -0.816 1.00 2.55 C ATOM 1553 CD GLN B 102 13.293 -3.738 -0.749 1.00 3.18 C ATOM 1554 OE1 GLN B 102 13.192 -3.164 0.331 1.00 3.61 O ATOM 1555 NE2 GLN B 102 13.113 -3.115 -1.902 1.00 3.81 N ATOM 0 H GLN B 102 11.980 -7.422 -3.114 1.00 1.73 H new ATOM 0 HA GLN B 102 13.541 -7.926 -0.653 1.00 1.74 H new ATOM 0 HB2 GLN B 102 11.594 -5.669 -1.248 1.00 2.18 H new ATOM 0 HB3 GLN B 102 12.102 -6.107 0.371 1.00 2.18 H new ATOM 0 HG2 GLN B 102 14.349 -5.451 -0.028 1.00 2.55 H new ATOM 0 HG3 GLN B 102 14.125 -5.424 -1.766 1.00 2.55 H new ATOM 0 HE21 GLN B 102 13.206 -3.628 -2.779 1.00 3.81 H new ATOM 0 HE22 GLN B 102 12.881 -2.122 -1.914 1.00 3.81 H new ATOM 1564 N HIS B 103 11.654 -9.313 0.203 1.00 1.29 N ATOM 1565 CA HIS B 103 10.587 -10.197 0.660 1.00 1.54 C ATOM 1566 C HIS B 103 10.439 -10.121 2.176 1.00 1.27 C ATOM 1567 O HIS B 103 10.312 -11.139 2.854 1.00 1.88 O ATOM 1568 CB HIS B 103 10.862 -11.644 0.228 1.00 2.46 C ATOM 1569 CG HIS B 103 10.786 -11.854 -1.252 1.00 3.16 C ATOM 1570 ND1 HIS B 103 11.915 -12.078 -2.000 1.00 3.79 N ATOM 1571 CD2 HIS B 103 9.704 -11.862 -2.066 1.00 3.79 C ATOM 1572 CE1 HIS B 103 11.501 -12.216 -3.246 1.00 4.60 C ATOM 1573 NE2 HIS B 103 10.172 -12.093 -3.333 1.00 4.61 N ATOM 0 H HIS B 103 12.550 -9.459 0.668 1.00 1.29 H new ATOM 0 HA HIS B 103 9.654 -9.868 0.202 1.00 1.54 H new ATOM 0 HB2 HIS B 103 11.852 -11.936 0.577 1.00 2.46 H new ATOM 0 HB3 HIS B 103 10.144 -12.303 0.717 1.00 2.46 H new ATOM 0 HD2 HIS B 103 8.675 -11.715 -1.774 1.00 3.79 H new ATOM 0 HE1 HIS B 103 12.152 -12.404 -4.087 1.00 4.60 H new ATOM 0 HE2 HIS B 103 9.612 -12.159 -4.183 1.00 4.61 H new ATOM 1581 N THR B 104 10.462 -8.901 2.699 1.00 1.15 N ATOM 1582 CA THR B 104 10.333 -8.672 4.128 1.00 1.67 C ATOM 1583 C THR B 104 8.920 -8.991 4.630 1.00 1.52 C ATOM 1584 O THR B 104 8.667 -10.082 5.138 1.00 1.82 O ATOM 1585 CB THR B 104 10.697 -7.218 4.463 1.00 2.34 C ATOM 1586 OG1 THR B 104 11.514 -6.682 3.412 1.00 2.54 O ATOM 1587 CG2 THR B 104 11.446 -7.132 5.786 1.00 3.10 C ATOM 0 H THR B 104 10.570 -8.050 2.147 1.00 1.15 H new ATOM 0 HA THR B 104 11.024 -9.345 4.636 1.00 1.67 H new ATOM 0 HB THR B 104 9.777 -6.641 4.554 1.00 2.34 H new ATOM 0 HG1 THR B 104 11.150 -5.819 3.122 1.00 2.54 H new ATOM 0 HG21 THR B 104 11.691 -6.091 5.998 1.00 3.10 H new ATOM 0 HG22 THR B 104 10.819 -7.527 6.585 1.00 3.10 H new ATOM 0 HG23 THR B 104 12.364 -7.716 5.723 1.00 3.10 H new ATOM 1595 N GLN B 105 7.994 -8.052 4.469 1.00 1.14 N ATOM 1596 CA GLN B 105 6.628 -8.265 4.928 1.00 1.00 C ATOM 1597 C GLN B 105 5.646 -8.268 3.763 1.00 0.95 C ATOM 1598 O GLN B 105 5.835 -7.549 2.778 1.00 1.01 O ATOM 1599 CB GLN B 105 6.244 -7.189 5.942 1.00 0.86 C ATOM 1600 CG GLN B 105 6.238 -7.676 7.383 1.00 1.15 C ATOM 1601 CD GLN B 105 5.055 -8.574 7.699 1.00 1.77 C ATOM 1602 OE1 GLN B 105 4.566 -9.308 6.837 1.00 2.49 O ATOM 1603 NE2 GLN B 105 4.585 -8.521 8.936 1.00 2.35 N ATOM 0 H GLN B 105 8.162 -7.147 4.030 1.00 1.14 H new ATOM 0 HA GLN B 105 6.580 -9.243 5.407 1.00 1.00 H new ATOM 0 HB2 GLN B 105 6.940 -6.355 5.853 1.00 0.86 H new ATOM 0 HB3 GLN B 105 5.254 -6.806 5.694 1.00 0.86 H new ATOM 0 HG2 GLN B 105 7.162 -8.218 7.582 1.00 1.15 H new ATOM 0 HG3 GLN B 105 6.223 -6.815 8.052 1.00 1.15 H new ATOM 0 HE21 GLN B 105 5.018 -7.900 9.620 1.00 2.35 H new ATOM 0 HE22 GLN B 105 3.790 -9.101 9.205 1.00 2.35 H new ATOM 1612 N ILE B 106 4.602 -9.077 3.885 1.00 0.89 N ATOM 1613 CA ILE B 106 3.584 -9.196 2.847 1.00 0.86 C ATOM 1614 C ILE B 106 2.243 -9.611 3.452 1.00 0.77 C ATOM 1615 O ILE B 106 2.144 -10.646 4.110 1.00 0.81 O ATOM 1616 CB ILE B 106 4.004 -10.213 1.754 1.00 1.01 C ATOM 1617 CG1 ILE B 106 2.793 -10.654 0.922 1.00 1.40 C ATOM 1618 CG2 ILE B 106 4.701 -11.416 2.371 1.00 1.68 C ATOM 1619 CD1 ILE B 106 3.142 -11.532 -0.260 1.00 1.61 C ATOM 0 H ILE B 106 4.436 -9.666 4.701 1.00 0.89 H new ATOM 0 HA ILE B 106 3.478 -8.216 2.381 1.00 0.86 H new ATOM 0 HB ILE B 106 4.710 -9.717 1.088 1.00 1.01 H new ATOM 0 HG12 ILE B 106 2.099 -11.192 1.568 1.00 1.40 H new ATOM 0 HG13 ILE B 106 2.272 -9.768 0.561 1.00 1.40 H new ATOM 0 HG21 ILE B 106 4.986 -12.115 1.584 1.00 1.68 H new ATOM 0 HG22 ILE B 106 5.593 -11.086 2.904 1.00 1.68 H new ATOM 0 HG23 ILE B 106 4.024 -11.911 3.068 1.00 1.68 H new ATOM 0 HD11 ILE B 106 2.231 -11.800 -0.796 1.00 1.61 H new ATOM 0 HD12 ILE B 106 3.811 -10.992 -0.930 1.00 1.61 H new ATOM 0 HD13 ILE B 106 3.635 -12.438 0.093 1.00 1.61 H new ATOM 1631 N THR B 107 1.221 -8.795 3.234 1.00 0.68 N ATOM 1632 CA THR B 107 -0.106 -9.073 3.759 1.00 0.63 C ATOM 1633 C THR B 107 -1.190 -8.605 2.798 1.00 0.57 C ATOM 1634 O THR B 107 -1.286 -7.422 2.470 1.00 0.56 O ATOM 1635 CB THR B 107 -0.314 -8.391 5.127 1.00 0.64 C ATOM 1636 OG1 THR B 107 0.737 -8.765 6.028 1.00 0.80 O ATOM 1637 CG2 THR B 107 -1.660 -8.767 5.732 1.00 0.62 C ATOM 0 H THR B 107 1.288 -7.932 2.695 1.00 0.68 H new ATOM 0 HA THR B 107 -0.182 -10.154 3.880 1.00 0.63 H new ATOM 0 HB THR B 107 -0.296 -7.313 4.969 1.00 0.64 H new ATOM 0 HG1 THR B 107 0.598 -8.326 6.893 1.00 0.80 H new ATOM 0 HG21 THR B 107 -1.777 -8.271 6.695 1.00 0.62 H new ATOM 0 HG22 THR B 107 -2.460 -8.453 5.062 1.00 0.62 H new ATOM 0 HG23 THR B 107 -1.707 -9.847 5.872 1.00 0.62 H new ATOM 1645 N LYS B 108 -1.982 -9.549 2.323 1.00 0.65 N ATOM 1646 CA LYS B 108 -3.083 -9.239 1.433 1.00 0.68 C ATOM 1647 C LYS B 108 -4.233 -8.691 2.270 1.00 0.58 C ATOM 1648 O LYS B 108 -4.630 -9.311 3.257 1.00 0.68 O ATOM 1649 CB LYS B 108 -3.505 -10.490 0.659 1.00 0.91 C ATOM 1650 CG LYS B 108 -2.424 -11.006 -0.281 1.00 1.20 C ATOM 1651 CD LYS B 108 -2.821 -12.318 -0.938 1.00 1.70 C ATOM 1652 CE LYS B 108 -1.770 -12.789 -1.938 1.00 2.51 C ATOM 1653 NZ LYS B 108 -1.755 -11.950 -3.166 1.00 3.39 N ATOM 0 H LYS B 108 -1.881 -10.540 2.541 1.00 0.65 H new ATOM 0 HA LYS B 108 -2.782 -8.490 0.700 1.00 0.68 H new ATOM 0 HB2 LYS B 108 -3.768 -11.276 1.367 1.00 0.91 H new ATOM 0 HB3 LYS B 108 -4.403 -10.267 0.083 1.00 0.91 H new ATOM 0 HG2 LYS B 108 -2.226 -10.260 -1.051 1.00 1.20 H new ATOM 0 HG3 LYS B 108 -1.496 -11.144 0.274 1.00 1.20 H new ATOM 0 HD2 LYS B 108 -2.962 -13.081 -0.172 1.00 1.70 H new ATOM 0 HD3 LYS B 108 -3.778 -12.196 -1.446 1.00 1.70 H new ATOM 0 HE2 LYS B 108 -0.786 -12.763 -1.469 1.00 2.51 H new ATOM 0 HE3 LYS B 108 -1.967 -13.826 -2.210 1.00 2.51 H new ATOM 0 HZ1 LYS B 108 -1.075 -12.344 -3.847 1.00 3.39 H new ATOM 0 HZ2 LYS B 108 -2.704 -11.940 -3.591 1.00 3.39 H new ATOM 0 HZ3 LYS B 108 -1.475 -10.979 -2.920 1.00 3.39 H new ATOM 1667 N VAL B 109 -4.761 -7.538 1.891 1.00 0.51 N ATOM 1668 CA VAL B 109 -5.820 -6.911 2.642 1.00 0.55 C ATOM 1669 C VAL B 109 -7.054 -6.712 1.762 1.00 0.76 C ATOM 1670 O VAL B 109 -6.928 -6.815 0.519 1.00 1.40 O ATOM 1671 CB VAL B 109 -5.314 -5.565 3.214 1.00 0.56 C ATOM 1672 CG1 VAL B 109 -4.902 -4.626 2.090 1.00 0.59 C ATOM 1673 CG2 VAL B 109 -6.348 -4.919 4.122 1.00 1.21 C ATOM 1674 OXT VAL B 109 -8.148 -6.502 2.312 1.00 1.18 O ATOM 0 H VAL B 109 -4.467 -7.021 1.063 1.00 0.51 H new ATOM 0 HA VAL B 109 -6.110 -7.556 3.472 1.00 0.55 H new ATOM 0 HB VAL B 109 -4.435 -5.771 3.824 1.00 0.56 H new ATOM 0 HG11 VAL B 109 -4.549 -3.685 2.513 1.00 0.59 H new ATOM 0 HG12 VAL B 109 -4.103 -5.084 1.508 1.00 0.59 H new ATOM 0 HG13 VAL B 109 -5.758 -4.435 1.443 1.00 0.59 H new ATOM 0 HG21 VAL B 109 -5.958 -3.976 4.505 1.00 1.21 H new ATOM 0 HG22 VAL B 109 -7.261 -4.731 3.557 1.00 1.21 H new ATOM 0 HG23 VAL B 109 -6.568 -5.586 4.956 1.00 1.21 H new TER 1684 VAL B 109