USER MOD reduce.3.24.130724 H: found=0, std=0, add=1149, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1150 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: B 117 ASN : amide:sc= -0.0633 X(o=-0.026,f=0.038) USER MOD Set 1.2: B 118 THR OG1 : rot 180:sc= 0.0377 USER MOD Set 2.1: B 99 LYS NZ :NH3+ -143:sc= 1.32 (180deg=-0.231) USER MOD Set 2.2: B 100 ASN : amide:sc= 1 K(o=2.3,f=-7.4!) USER MOD Set 3.1: B 84 ASN : amide:sc= 0.589 K(o=1.6,f=0.47!) USER MOD Set 3.2: B 86 SER OG : rot 180:sc= 1.03 USER MOD Set 4.1: A 68 HIS : no HE2:sc= 0.261 K(o=2.1,f=-11!) USER MOD Set 4.2: B 109 GLN : amide:sc= 1.79 K(o=2.1,f=-2.1) USER MOD Single : A 1 MET CE :methyl 168:sc= -0.0274 (180deg=-0.265) USER MOD Single : A 1 MET N :NH3+ 143:sc= 1.31 (180deg=1.08) USER MOD Single : A 2 GLN : amide:sc= -1.37! X(o=-1.4!,f=-1.5) USER MOD Single : A 6 LYS NZ :NH3+ -151:sc= 1.23 (180deg=-0.0547!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00351 USER MOD Single : A 9 THR OG1 : rot -34:sc= 0.587 USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0275) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -90:sc= 0.00537 USER MOD Single : A 20 SER OG : rot 180:sc= 0.14 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0802 USER MOD Single : A 25 ASN : amide:sc= 0.799 K(o=0.8,f=-1.6!) USER MOD Single : A 27 LYS NZ :NH3+ 143:sc= 1.24 (180deg=0.437) USER MOD Single : A 29 LYS NZ :NH3+ 179:sc= 2.13 (180deg=2.06) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 33 LYS NZ :NH3+ -121:sc= 1.11 (180deg=-0.0403) USER MOD Single : A 40 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.13) USER MOD Single : A 41 GLN : amide:sc= -1.25 K(o=-1.3,f=-5!) USER MOD Single : A 48 LYS NZ :NH3+ -159:sc= 1.25 (180deg=1.06) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 55 THR OG1 : rot -65:sc= 1.24 USER MOD Single : A 57 SER OG : rot 180:sc= 0.0817 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.249 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.024) USER MOD Single : A 62 GLN : amide:sc= -0.5 K(o=-0.5,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -113:sc= 1.3 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00909 USER MOD Single : B 56 LYS NZ :NH3+ 162:sc= 1.09 (180deg=0.12) USER MOD Single : B 59 TYR OH : rot 180:sc= -1.06 USER MOD Single : B 62 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00393) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 73 ASN : amide:sc= 1.09 K(o=1.1,f=-0.11) USER MOD Single : B 78 SER OG : rot 180:sc= 0.0263 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 80 LYS NZ :NH3+ 158:sc= 1.22 (180deg=1.13) USER MOD Single : B 83 TYR OH : rot 180:sc= 0 USER MOD Single : B 85 THR OG1 : rot 180:sc= 0.114 USER MOD Single : B 92 THR OG1 : rot -27:sc= 0.298 USER MOD Single : B 94 TYR OH : rot 180:sc= 0 USER MOD Single : B 95 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : B 98 GLN : amide:sc= -0.52 K(o=-0.52,f=0) USER MOD Single : B 103 ASN : amide:sc= 0.706 K(o=0.71,f=-4.9!) USER MOD Single : B 105 MET CE :methyl 154:sc= -1.07 (180deg=-2.43!) USER MOD Single : B 112 LYS NZ :NH3+ 151:sc= 1.5 (180deg=1.23) USER MOD Single : B 119 LYS NZ :NH3+ -127:sc= 1.21 (180deg=-0.568) USER MOD Single : B 121 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.21) USER MOD Single : B 122 MET CE :methyl -142:sc= 0 (180deg=-1.08) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.247 5.600 -7.024 1.00 1.19 N ATOM 2 CA MET A 1 -18.899 6.092 -7.393 1.00 1.06 C ATOM 3 C MET A 1 -17.985 4.940 -7.782 1.00 1.03 C ATOM 4 O MET A 1 -18.136 3.819 -7.296 1.00 1.13 O ATOM 5 CB MET A 1 -18.268 6.881 -6.236 1.00 1.01 C ATOM 6 CG MET A 1 -18.102 6.081 -4.954 1.00 1.07 C ATOM 7 SD MET A 1 -17.115 6.946 -3.716 1.00 1.25 S ATOM 8 CE MET A 1 -18.140 8.381 -3.397 1.00 1.32 C ATOM 0 H1 MET A 1 -20.620 6.167 -6.236 1.00 1.19 H new ATOM 0 H2 MET A 1 -20.883 5.683 -7.843 1.00 1.19 H new ATOM 0 H3 MET A 1 -20.185 4.603 -6.734 1.00 1.19 H new ATOM 0 HA MET A 1 -19.016 6.754 -8.251 1.00 1.06 H new ATOM 0 HB2 MET A 1 -17.291 7.248 -6.551 1.00 1.01 H new ATOM 0 HB3 MET A 1 -18.885 7.755 -6.028 1.00 1.01 H new ATOM 0 HG2 MET A 1 -19.085 5.860 -4.539 1.00 1.07 H new ATOM 0 HG3 MET A 1 -17.631 5.126 -5.185 1.00 1.07 H new ATOM 0 HE1 MET A 1 -17.776 8.898 -2.510 1.00 1.32 H new ATOM 0 HE2 MET A 1 -18.099 9.055 -4.253 1.00 1.32 H new ATOM 0 HE3 MET A 1 -19.170 8.064 -3.235 1.00 1.32 H new ATOM 20 N GLN A 2 -17.050 5.214 -8.673 1.00 0.93 N ATOM 21 CA GLN A 2 -16.104 4.208 -9.111 1.00 0.89 C ATOM 22 C GLN A 2 -14.715 4.572 -8.614 1.00 0.85 C ATOM 23 O GLN A 2 -14.269 5.711 -8.777 1.00 0.93 O ATOM 24 CB GLN A 2 -16.115 4.099 -10.633 1.00 0.94 C ATOM 25 CG GLN A 2 -15.717 2.729 -11.152 1.00 1.18 C ATOM 26 CD GLN A 2 -16.502 2.321 -12.382 1.00 1.18 C ATOM 27 OE1 GLN A 2 -15.970 1.678 -13.284 1.00 1.35 O ATOM 28 NE2 GLN A 2 -17.777 2.670 -12.425 1.00 1.61 N ATOM 0 H GLN A 2 -16.926 6.128 -9.108 1.00 0.93 H new ATOM 0 HA GLN A 2 -16.389 3.240 -8.698 1.00 0.89 H new ATOM 0 HB2 GLN A 2 -17.114 4.339 -10.998 1.00 0.94 H new ATOM 0 HB3 GLN A 2 -15.436 4.845 -11.046 1.00 0.94 H new ATOM 0 HG2 GLN A 2 -14.653 2.729 -11.388 1.00 1.18 H new ATOM 0 HG3 GLN A 2 -15.869 1.989 -10.366 1.00 1.18 H new ATOM 0 HE21 GLN A 2 -18.186 3.204 -11.658 1.00 1.61 H new ATOM 0 HE22 GLN A 2 -18.352 2.405 -13.225 1.00 1.61 H new ATOM 37 N ILE A 3 -14.037 3.620 -7.995 1.00 0.76 N ATOM 38 CA ILE A 3 -12.705 3.865 -7.466 1.00 0.72 C ATOM 39 C ILE A 3 -11.694 2.885 -8.042 1.00 0.68 C ATOM 40 O ILE A 3 -12.052 1.798 -8.503 1.00 0.66 O ATOM 41 CB ILE A 3 -12.661 3.787 -5.919 1.00 0.69 C ATOM 42 CG1 ILE A 3 -13.089 2.398 -5.410 1.00 0.60 C ATOM 43 CG2 ILE A 3 -13.521 4.883 -5.302 1.00 0.85 C ATOM 44 CD1 ILE A 3 -14.583 2.223 -5.232 1.00 0.78 C ATOM 0 H ILE A 3 -14.385 2.673 -7.847 1.00 0.76 H new ATOM 0 HA ILE A 3 -12.443 4.879 -7.767 1.00 0.72 H new ATOM 0 HB ILE A 3 -11.628 3.944 -5.607 1.00 0.69 H new ATOM 0 HG12 ILE A 3 -12.729 1.643 -6.109 1.00 0.60 H new ATOM 0 HG13 ILE A 3 -12.598 2.209 -4.455 1.00 0.60 H new ATOM 0 HG21 ILE A 3 -13.477 4.811 -4.215 1.00 0.85 H new ATOM 0 HG22 ILE A 3 -13.149 5.858 -5.617 1.00 0.85 H new ATOM 0 HG23 ILE A 3 -14.553 4.765 -5.632 1.00 0.85 H new ATOM 0 HD11 ILE A 3 -14.791 1.216 -4.871 1.00 0.78 H new ATOM 0 HD12 ILE A 3 -14.951 2.951 -4.509 1.00 0.78 H new ATOM 0 HD13 ILE A 3 -15.084 2.376 -6.188 1.00 0.78 H new ATOM 56 N PHE A 4 -10.432 3.286 -8.017 1.00 0.68 N ATOM 57 CA PHE A 4 -9.353 2.460 -8.521 1.00 0.66 C ATOM 58 C PHE A 4 -8.489 1.988 -7.362 1.00 0.61 C ATOM 59 O PHE A 4 -7.685 2.747 -6.819 1.00 0.70 O ATOM 60 CB PHE A 4 -8.505 3.243 -9.528 1.00 0.73 C ATOM 61 CG PHE A 4 -9.247 3.612 -10.784 1.00 0.82 C ATOM 62 CD1 PHE A 4 -9.408 2.688 -11.802 1.00 1.03 C ATOM 63 CD2 PHE A 4 -9.787 4.877 -10.939 1.00 0.88 C ATOM 64 CE1 PHE A 4 -10.093 3.019 -12.955 1.00 1.12 C ATOM 65 CE2 PHE A 4 -10.475 5.214 -12.088 1.00 0.96 C ATOM 66 CZ PHE A 4 -10.628 4.285 -13.098 1.00 1.00 C ATOM 0 H PHE A 4 -10.131 4.188 -7.648 1.00 0.68 H new ATOM 0 HA PHE A 4 -9.777 1.594 -9.029 1.00 0.66 H new ATOM 0 HB2 PHE A 4 -8.139 4.153 -9.052 1.00 0.73 H new ATOM 0 HB3 PHE A 4 -7.631 2.648 -9.794 1.00 0.73 H new ATOM 0 HD1 PHE A 4 -8.993 1.697 -11.694 1.00 1.03 H new ATOM 0 HD2 PHE A 4 -9.669 5.608 -10.153 1.00 0.88 H new ATOM 0 HE1 PHE A 4 -10.210 2.290 -13.743 1.00 1.12 H new ATOM 0 HE2 PHE A 4 -10.893 6.204 -12.197 1.00 0.96 H new ATOM 0 HZ PHE A 4 -11.165 4.547 -13.998 1.00 1.00 H new ATOM 76 N VAL A 5 -8.667 0.741 -6.970 1.00 0.53 N ATOM 77 CA VAL A 5 -7.908 0.188 -5.863 1.00 0.51 C ATOM 78 C VAL A 5 -6.600 -0.431 -6.357 1.00 0.51 C ATOM 79 O VAL A 5 -6.589 -1.253 -7.276 1.00 0.53 O ATOM 80 CB VAL A 5 -8.744 -0.842 -5.062 1.00 0.51 C ATOM 81 CG1 VAL A 5 -9.197 -2.002 -5.940 1.00 0.56 C ATOM 82 CG2 VAL A 5 -7.962 -1.354 -3.863 1.00 0.54 C ATOM 0 H VAL A 5 -9.328 0.093 -7.399 1.00 0.53 H new ATOM 0 HA VAL A 5 -7.662 1.007 -5.187 1.00 0.51 H new ATOM 0 HB VAL A 5 -9.637 -0.330 -4.703 1.00 0.51 H new ATOM 0 HG11 VAL A 5 -9.780 -2.704 -5.344 1.00 0.56 H new ATOM 0 HG12 VAL A 5 -9.811 -1.622 -6.757 1.00 0.56 H new ATOM 0 HG13 VAL A 5 -8.324 -2.511 -6.349 1.00 0.56 H new ATOM 0 HG21 VAL A 5 -8.568 -2.076 -3.315 1.00 0.54 H new ATOM 0 HG22 VAL A 5 -7.045 -1.835 -4.205 1.00 0.54 H new ATOM 0 HG23 VAL A 5 -7.712 -0.519 -3.208 1.00 0.54 H new ATOM 92 N LYS A 6 -5.496 -0.010 -5.759 1.00 0.54 N ATOM 93 CA LYS A 6 -4.188 -0.511 -6.139 1.00 0.58 C ATOM 94 C LYS A 6 -3.747 -1.627 -5.208 1.00 0.56 C ATOM 95 O LYS A 6 -3.588 -1.416 -4.004 1.00 0.51 O ATOM 96 CB LYS A 6 -3.151 0.615 -6.121 1.00 0.63 C ATOM 97 CG LYS A 6 -3.496 1.778 -7.035 1.00 1.21 C ATOM 98 CD LYS A 6 -2.343 2.765 -7.161 1.00 1.17 C ATOM 99 CE LYS A 6 -2.051 3.476 -5.845 1.00 1.38 C ATOM 100 NZ LYS A 6 -1.154 4.648 -6.036 1.00 1.38 N ATOM 0 H LYS A 6 -5.482 0.679 -5.007 1.00 0.54 H new ATOM 0 HA LYS A 6 -4.264 -0.906 -7.152 1.00 0.58 H new ATOM 0 HB2 LYS A 6 -3.047 0.985 -5.101 1.00 0.63 H new ATOM 0 HB3 LYS A 6 -2.182 0.210 -6.413 1.00 0.63 H new ATOM 0 HG2 LYS A 6 -3.758 1.398 -8.023 1.00 1.21 H new ATOM 0 HG3 LYS A 6 -4.375 2.294 -6.649 1.00 1.21 H new ATOM 0 HD2 LYS A 6 -1.449 2.237 -7.494 1.00 1.17 H new ATOM 0 HD3 LYS A 6 -2.580 3.504 -7.927 1.00 1.17 H new ATOM 0 HE2 LYS A 6 -2.987 3.805 -5.394 1.00 1.38 H new ATOM 0 HE3 LYS A 6 -1.590 2.776 -5.148 1.00 1.38 H new ATOM 0 HZ1 LYS A 6 -0.596 4.803 -5.172 1.00 1.38 H new ATOM 0 HZ2 LYS A 6 -0.513 4.468 -6.835 1.00 1.38 H new ATOM 0 HZ3 LYS A 6 -1.726 5.494 -6.235 1.00 1.38 H new ATOM 114 N THR A 7 -3.565 -2.810 -5.770 1.00 0.61 N ATOM 115 CA THR A 7 -3.122 -3.959 -5.005 1.00 0.62 C ATOM 116 C THR A 7 -1.639 -3.812 -4.666 1.00 0.63 C ATOM 117 O THR A 7 -0.924 -3.064 -5.332 1.00 0.74 O ATOM 118 CB THR A 7 -3.354 -5.261 -5.798 1.00 0.69 C ATOM 119 OG1 THR A 7 -4.570 -5.160 -6.545 1.00 1.05 O ATOM 120 CG2 THR A 7 -3.427 -6.471 -4.875 1.00 0.90 C ATOM 0 H THR A 7 -3.719 -2.999 -6.761 1.00 0.61 H new ATOM 0 HA THR A 7 -3.700 -4.009 -4.083 1.00 0.62 H new ATOM 0 HB THR A 7 -2.510 -5.397 -6.474 1.00 0.69 H new ATOM 0 HG1 THR A 7 -4.714 -5.988 -7.049 1.00 1.05 H new ATOM 0 HG21 THR A 7 -3.591 -7.371 -5.467 1.00 0.90 H new ATOM 0 HG22 THR A 7 -2.491 -6.565 -4.324 1.00 0.90 H new ATOM 0 HG23 THR A 7 -4.251 -6.344 -4.173 1.00 0.90 H new ATOM 128 N LEU A 8 -1.194 -4.526 -3.638 1.00 0.62 N ATOM 129 CA LEU A 8 0.197 -4.487 -3.184 1.00 0.65 C ATOM 130 C LEU A 8 1.198 -4.697 -4.326 1.00 0.67 C ATOM 131 O LEU A 8 2.289 -4.143 -4.302 1.00 0.73 O ATOM 132 CB LEU A 8 0.413 -5.557 -2.109 1.00 0.72 C ATOM 133 CG LEU A 8 1.815 -5.599 -1.499 1.00 0.84 C ATOM 134 CD1 LEU A 8 2.051 -4.387 -0.613 1.00 1.54 C ATOM 135 CD2 LEU A 8 2.013 -6.886 -0.715 1.00 0.94 C ATOM 0 H LEU A 8 -1.787 -5.151 -3.092 1.00 0.62 H new ATOM 0 HA LEU A 8 0.377 -3.492 -2.776 1.00 0.65 H new ATOM 0 HB2 LEU A 8 -0.309 -5.395 -1.308 1.00 0.72 H new ATOM 0 HB3 LEU A 8 0.194 -6.533 -2.542 1.00 0.72 H new ATOM 0 HG LEU A 8 2.545 -5.574 -2.308 1.00 0.84 H new ATOM 0 HD11 LEU A 8 3.054 -4.436 -0.189 1.00 1.54 H new ATOM 0 HD12 LEU A 8 1.952 -3.478 -1.206 1.00 1.54 H new ATOM 0 HD13 LEU A 8 1.317 -4.377 0.192 1.00 1.54 H new ATOM 0 HD21 LEU A 8 3.015 -6.901 -0.287 1.00 0.94 H new ATOM 0 HD22 LEU A 8 1.276 -6.941 0.086 1.00 0.94 H new ATOM 0 HD23 LEU A 8 1.890 -7.740 -1.381 1.00 0.94 H new ATOM 147 N THR A 9 0.818 -5.477 -5.329 1.00 0.67 N ATOM 148 CA THR A 9 1.707 -5.762 -6.454 1.00 0.74 C ATOM 149 C THR A 9 1.734 -4.627 -7.489 1.00 0.75 C ATOM 150 O THR A 9 2.458 -4.705 -8.482 1.00 0.90 O ATOM 151 CB THR A 9 1.304 -7.083 -7.149 1.00 0.80 C ATOM 152 OG1 THR A 9 2.265 -7.429 -8.155 1.00 1.26 O ATOM 153 CG2 THR A 9 -0.079 -6.974 -7.778 1.00 0.91 C ATOM 0 H THR A 9 -0.097 -5.924 -5.389 1.00 0.67 H new ATOM 0 HA THR A 9 2.710 -5.855 -6.037 1.00 0.74 H new ATOM 0 HB THR A 9 1.278 -7.865 -6.390 1.00 0.80 H new ATOM 0 HG1 THR A 9 2.616 -6.612 -8.567 1.00 1.26 H new ATOM 0 HG21 THR A 9 -0.335 -7.918 -8.259 1.00 0.91 H new ATOM 0 HG22 THR A 9 -0.814 -6.750 -7.005 1.00 0.91 H new ATOM 0 HG23 THR A 9 -0.079 -6.176 -8.521 1.00 0.91 H new ATOM 161 N GLY A 10 0.950 -3.582 -7.256 1.00 0.71 N ATOM 162 CA GLY A 10 0.909 -2.466 -8.184 1.00 0.75 C ATOM 163 C GLY A 10 -0.229 -2.582 -9.179 1.00 0.76 C ATOM 164 O GLY A 10 -0.456 -1.679 -9.987 1.00 0.89 O ATOM 0 H GLY A 10 0.342 -3.486 -6.442 1.00 0.71 H new ATOM 0 HA2 GLY A 10 0.806 -1.536 -7.625 1.00 0.75 H new ATOM 0 HA3 GLY A 10 1.855 -2.410 -8.723 1.00 0.75 H new ATOM 168 N LYS A 11 -0.948 -3.694 -9.117 1.00 0.82 N ATOM 169 CA LYS A 11 -2.074 -3.932 -10.007 1.00 0.85 C ATOM 170 C LYS A 11 -3.258 -3.063 -9.603 1.00 0.77 C ATOM 171 O LYS A 11 -3.653 -3.043 -8.438 1.00 0.78 O ATOM 172 CB LYS A 11 -2.465 -5.414 -9.975 1.00 0.90 C ATOM 173 CG LYS A 11 -3.759 -5.729 -10.707 1.00 0.96 C ATOM 174 CD LYS A 11 -4.161 -7.185 -10.525 1.00 1.09 C ATOM 175 CE LYS A 11 -5.552 -7.451 -11.080 1.00 1.43 C ATOM 176 NZ LYS A 11 -5.618 -7.232 -12.548 1.00 1.63 N ATOM 0 H LYS A 11 -0.769 -4.449 -8.455 1.00 0.82 H new ATOM 0 HA LYS A 11 -1.781 -3.669 -11.023 1.00 0.85 H new ATOM 0 HB2 LYS A 11 -1.659 -6.001 -10.415 1.00 0.90 H new ATOM 0 HB3 LYS A 11 -2.561 -5.731 -8.937 1.00 0.90 H new ATOM 0 HG2 LYS A 11 -4.554 -5.082 -10.337 1.00 0.96 H new ATOM 0 HG3 LYS A 11 -3.640 -5.513 -11.769 1.00 0.96 H new ATOM 0 HD2 LYS A 11 -3.438 -7.829 -11.027 1.00 1.09 H new ATOM 0 HD3 LYS A 11 -4.135 -7.441 -9.466 1.00 1.09 H new ATOM 0 HE2 LYS A 11 -5.842 -8.477 -10.853 1.00 1.43 H new ATOM 0 HE3 LYS A 11 -6.271 -6.799 -10.584 1.00 1.43 H new ATOM 0 HZ1 LYS A 11 -6.559 -7.505 -12.898 1.00 1.63 H new ATOM 0 HZ2 LYS A 11 -5.449 -6.227 -12.757 1.00 1.63 H new ATOM 0 HZ3 LYS A 11 -4.892 -7.810 -13.018 1.00 1.63 H new ATOM 190 N THR A 12 -3.808 -2.337 -10.558 1.00 0.85 N ATOM 191 CA THR A 12 -4.943 -1.473 -10.291 1.00 0.80 C ATOM 192 C THR A 12 -6.248 -2.138 -10.723 1.00 0.81 C ATOM 193 O THR A 12 -6.379 -2.586 -11.863 1.00 0.91 O ATOM 194 CB THR A 12 -4.774 -0.120 -11.002 1.00 0.85 C ATOM 195 OG1 THR A 12 -3.435 0.350 -10.798 1.00 0.90 O ATOM 196 CG2 THR A 12 -5.764 0.907 -10.474 1.00 0.84 C ATOM 0 H THR A 12 -3.487 -2.328 -11.526 1.00 0.85 H new ATOM 0 HA THR A 12 -4.986 -1.298 -9.216 1.00 0.80 H new ATOM 0 HB THR A 12 -4.968 -0.258 -12.066 1.00 0.85 H new ATOM 0 HG1 THR A 12 -3.318 1.212 -11.250 1.00 0.90 H new ATOM 0 HG21 THR A 12 -5.620 1.853 -10.996 1.00 0.84 H new ATOM 0 HG22 THR A 12 -6.781 0.552 -10.641 1.00 0.84 H new ATOM 0 HG23 THR A 12 -5.602 1.053 -9.406 1.00 0.84 H new ATOM 204 N ILE A 13 -7.195 -2.219 -9.800 1.00 0.72 N ATOM 205 CA ILE A 13 -8.487 -2.836 -10.065 1.00 0.74 C ATOM 206 C ILE A 13 -9.599 -1.792 -10.004 1.00 0.71 C ATOM 207 O ILE A 13 -9.560 -0.880 -9.178 1.00 0.64 O ATOM 208 CB ILE A 13 -8.785 -3.963 -9.048 1.00 0.72 C ATOM 209 CG1 ILE A 13 -7.573 -4.887 -8.916 1.00 0.74 C ATOM 210 CG2 ILE A 13 -10.017 -4.755 -9.467 1.00 0.80 C ATOM 211 CD1 ILE A 13 -7.720 -5.942 -7.840 1.00 0.85 C ATOM 0 H ILE A 13 -7.091 -1.861 -8.851 1.00 0.72 H new ATOM 0 HA ILE A 13 -8.449 -3.267 -11.065 1.00 0.74 H new ATOM 0 HB ILE A 13 -8.987 -3.510 -8.078 1.00 0.72 H new ATOM 0 HG12 ILE A 13 -7.398 -5.380 -9.873 1.00 0.74 H new ATOM 0 HG13 ILE A 13 -6.690 -4.284 -8.702 1.00 0.74 H new ATOM 0 HG21 ILE A 13 -10.209 -5.542 -8.738 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -10.878 -4.089 -9.516 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -9.847 -5.201 -10.447 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -6.821 -6.557 -7.808 1.00 0.85 H new ATOM 0 HD12 ILE A 13 -7.863 -5.459 -6.874 1.00 0.85 H new ATOM 0 HD13 ILE A 13 -8.582 -6.571 -8.062 1.00 0.85 H new ATOM 223 N THR A 14 -10.577 -1.918 -10.888 1.00 0.80 N ATOM 224 CA THR A 14 -11.694 -0.992 -10.924 1.00 0.81 C ATOM 225 C THR A 14 -12.895 -1.574 -10.184 1.00 0.78 C ATOM 226 O THR A 14 -13.340 -2.682 -10.486 1.00 0.83 O ATOM 227 CB THR A 14 -12.096 -0.671 -12.374 1.00 0.94 C ATOM 228 OG1 THR A 14 -10.916 -0.566 -13.183 1.00 1.01 O ATOM 229 CG2 THR A 14 -12.882 0.628 -12.446 1.00 1.07 C ATOM 0 H THR A 14 -10.618 -2.656 -11.591 1.00 0.80 H new ATOM 0 HA THR A 14 -11.378 -0.072 -10.433 1.00 0.81 H new ATOM 0 HB THR A 14 -12.730 -1.476 -12.745 1.00 0.94 H new ATOM 0 HG1 THR A 14 -10.599 0.361 -13.180 1.00 1.01 H new ATOM 0 HG21 THR A 14 -13.154 0.832 -13.482 1.00 1.07 H new ATOM 0 HG22 THR A 14 -13.786 0.540 -11.844 1.00 1.07 H new ATOM 0 HG23 THR A 14 -12.270 1.445 -12.064 1.00 1.07 H new ATOM 237 N LEU A 15 -13.401 -0.836 -9.204 1.00 0.74 N ATOM 238 CA LEU A 15 -14.551 -1.283 -8.429 1.00 0.75 C ATOM 239 C LEU A 15 -15.658 -0.239 -8.485 1.00 0.79 C ATOM 240 O LEU A 15 -15.396 0.961 -8.375 1.00 0.81 O ATOM 241 CB LEU A 15 -14.161 -1.542 -6.968 1.00 0.74 C ATOM 242 CG LEU A 15 -14.125 -3.015 -6.541 1.00 0.74 C ATOM 243 CD1 LEU A 15 -15.480 -3.678 -6.759 1.00 0.97 C ATOM 244 CD2 LEU A 15 -13.031 -3.764 -7.290 1.00 0.93 C ATOM 0 H LEU A 15 -13.033 0.074 -8.927 1.00 0.74 H new ATOM 0 HA LEU A 15 -14.910 -2.216 -8.864 1.00 0.75 H new ATOM 0 HB2 LEU A 15 -13.177 -1.107 -6.791 1.00 0.74 H new ATOM 0 HB3 LEU A 15 -14.864 -1.013 -6.324 1.00 0.74 H new ATOM 0 HG LEU A 15 -13.899 -3.054 -5.475 1.00 0.74 H new ATOM 0 HD11 LEU A 15 -15.429 -4.722 -6.449 1.00 0.97 H new ATOM 0 HD12 LEU A 15 -16.237 -3.161 -6.169 1.00 0.97 H new ATOM 0 HD13 LEU A 15 -15.745 -3.626 -7.815 1.00 0.97 H new ATOM 0 HD21 LEU A 15 -13.022 -4.807 -6.973 1.00 0.93 H new ATOM 0 HD22 LEU A 15 -13.223 -3.712 -8.362 1.00 0.93 H new ATOM 0 HD23 LEU A 15 -12.064 -3.310 -7.072 1.00 0.93 H new ATOM 256 N GLU A 16 -16.890 -0.695 -8.664 1.00 0.84 N ATOM 257 CA GLU A 16 -18.032 0.206 -8.734 1.00 0.90 C ATOM 258 C GLU A 16 -18.990 -0.049 -7.570 1.00 0.83 C ATOM 259 O GLU A 16 -19.435 -1.175 -7.348 1.00 0.87 O ATOM 260 CB GLU A 16 -18.755 0.073 -10.090 1.00 1.04 C ATOM 261 CG GLU A 16 -19.538 -1.225 -10.280 1.00 1.10 C ATOM 262 CD GLU A 16 -18.649 -2.446 -10.392 1.00 1.18 C ATOM 263 OE1 GLU A 16 -18.022 -2.637 -11.450 1.00 1.26 O ATOM 264 OE2 GLU A 16 -18.571 -3.225 -9.417 1.00 1.26 O ATOM 0 H GLU A 16 -17.124 -1.683 -8.763 1.00 0.84 H new ATOM 0 HA GLU A 16 -17.667 1.230 -8.652 1.00 0.90 H new ATOM 0 HB2 GLU A 16 -19.440 0.913 -10.203 1.00 1.04 H new ATOM 0 HB3 GLU A 16 -18.017 0.154 -10.888 1.00 1.04 H new ATOM 0 HG2 GLU A 16 -20.221 -1.356 -9.441 1.00 1.10 H new ATOM 0 HG3 GLU A 16 -20.149 -1.145 -11.179 1.00 1.10 H new ATOM 271 N VAL A 17 -19.278 0.998 -6.811 1.00 0.79 N ATOM 272 CA VAL A 17 -20.180 0.900 -5.667 1.00 0.77 C ATOM 273 C VAL A 17 -20.896 2.223 -5.443 1.00 0.78 C ATOM 274 O VAL A 17 -20.351 3.289 -5.734 1.00 0.77 O ATOM 275 CB VAL A 17 -19.443 0.502 -4.369 1.00 0.73 C ATOM 276 CG1 VAL A 17 -19.380 -1.013 -4.233 1.00 0.76 C ATOM 277 CG2 VAL A 17 -18.048 1.109 -4.328 1.00 0.71 C ATOM 0 H VAL A 17 -18.899 1.932 -6.966 1.00 0.79 H new ATOM 0 HA VAL A 17 -20.900 0.116 -5.902 1.00 0.77 H new ATOM 0 HB VAL A 17 -20.005 0.898 -3.523 1.00 0.73 H new ATOM 0 HG11 VAL A 17 -18.857 -1.274 -3.313 1.00 0.76 H new ATOM 0 HG12 VAL A 17 -20.392 -1.418 -4.203 1.00 0.76 H new ATOM 0 HG13 VAL A 17 -18.846 -1.433 -5.085 1.00 0.76 H new ATOM 0 HG21 VAL A 17 -17.550 0.814 -3.404 1.00 0.71 H new ATOM 0 HG22 VAL A 17 -17.471 0.753 -5.181 1.00 0.71 H new ATOM 0 HG23 VAL A 17 -18.123 2.196 -4.369 1.00 0.71 H new ATOM 287 N GLU A 18 -22.107 2.153 -4.927 1.00 0.86 N ATOM 288 CA GLU A 18 -22.899 3.342 -4.677 1.00 0.91 C ATOM 289 C GLU A 18 -22.444 4.036 -3.397 1.00 0.89 C ATOM 290 O GLU A 18 -21.854 3.409 -2.526 1.00 0.85 O ATOM 291 CB GLU A 18 -24.379 2.965 -4.585 1.00 1.00 C ATOM 292 CG GLU A 18 -25.041 2.805 -5.942 1.00 1.11 C ATOM 293 CD GLU A 18 -25.138 4.116 -6.689 1.00 1.10 C ATOM 294 OE1 GLU A 18 -24.124 4.555 -7.272 1.00 1.46 O ATOM 295 OE2 GLU A 18 -26.234 4.718 -6.697 1.00 1.29 O ATOM 0 H GLU A 18 -22.567 1.279 -4.671 1.00 0.86 H new ATOM 0 HA GLU A 18 -22.759 4.038 -5.504 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -24.476 2.033 -4.029 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -24.908 3.731 -4.018 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -24.474 2.090 -6.539 1.00 1.11 H new ATOM 0 HG3 GLU A 18 -26.040 2.389 -5.810 1.00 1.11 H new ATOM 302 N PRO A 19 -22.710 5.347 -3.261 1.00 0.95 N ATOM 303 CA PRO A 19 -22.325 6.106 -2.064 1.00 0.99 C ATOM 304 C PRO A 19 -23.052 5.597 -0.826 1.00 1.05 C ATOM 305 O PRO A 19 -22.635 5.842 0.306 1.00 1.09 O ATOM 306 CB PRO A 19 -22.747 7.542 -2.389 1.00 1.08 C ATOM 307 CG PRO A 19 -23.769 7.417 -3.469 1.00 1.07 C ATOM 308 CD PRO A 19 -23.396 6.191 -4.255 1.00 1.04 C ATOM 0 HA PRO A 19 -21.262 6.015 -1.839 1.00 0.99 H new ATOM 0 HB2 PRO A 19 -23.161 8.039 -1.511 1.00 1.08 H new ATOM 0 HB3 PRO A 19 -21.896 8.137 -2.720 1.00 1.08 H new ATOM 0 HG2 PRO A 19 -24.770 7.321 -3.049 1.00 1.07 H new ATOM 0 HG3 PRO A 19 -23.774 8.302 -4.106 1.00 1.07 H new ATOM 0 HD2 PRO A 19 -24.275 5.694 -4.667 1.00 1.04 H new ATOM 0 HD3 PRO A 19 -22.745 6.434 -5.094 1.00 1.04 H new ATOM 316 N SER A 20 -24.140 4.882 -1.063 1.00 1.11 N ATOM 317 CA SER A 20 -24.936 4.307 -0.001 1.00 1.22 C ATOM 318 C SER A 20 -24.420 2.912 0.361 1.00 1.11 C ATOM 319 O SER A 20 -24.897 2.286 1.307 1.00 1.16 O ATOM 320 CB SER A 20 -26.396 4.244 -0.449 1.00 1.42 C ATOM 321 OG SER A 20 -26.490 4.350 -1.865 1.00 1.61 O ATOM 0 H SER A 20 -24.493 4.686 -2.000 1.00 1.11 H new ATOM 0 HA SER A 20 -24.860 4.932 0.889 1.00 1.22 H new ATOM 0 HB2 SER A 20 -26.843 3.307 -0.119 1.00 1.42 H new ATOM 0 HB3 SER A 20 -26.961 5.050 0.020 1.00 1.42 H new ATOM 0 HG SER A 20 -27.431 4.306 -2.135 1.00 1.61 H new ATOM 327 N ASP A 21 -23.445 2.433 -0.404 1.00 0.99 N ATOM 328 CA ASP A 21 -22.855 1.124 -0.165 1.00 0.91 C ATOM 329 C ASP A 21 -21.841 1.215 0.960 1.00 0.86 C ATOM 330 O ASP A 21 -21.012 2.126 0.990 1.00 0.89 O ATOM 331 CB ASP A 21 -22.170 0.578 -1.425 1.00 0.87 C ATOM 332 CG ASP A 21 -23.109 -0.205 -2.323 1.00 0.92 C ATOM 333 OD1 ASP A 21 -23.946 -0.969 -1.792 1.00 1.09 O ATOM 334 OD2 ASP A 21 -23.008 -0.071 -3.562 1.00 1.32 O ATOM 0 H ASP A 21 -23.046 2.935 -1.197 1.00 0.99 H new ATOM 0 HA ASP A 21 -23.658 0.441 0.111 1.00 0.91 H new ATOM 0 HB2 ASP A 21 -21.746 1.409 -1.989 1.00 0.87 H new ATOM 0 HB3 ASP A 21 -21.340 -0.064 -1.130 1.00 0.87 H new ATOM 339 N THR A 22 -21.919 0.283 1.891 1.00 0.83 N ATOM 340 CA THR A 22 -21.007 0.256 3.015 1.00 0.82 C ATOM 341 C THR A 22 -19.657 -0.309 2.598 1.00 0.76 C ATOM 342 O THR A 22 -19.567 -1.049 1.615 1.00 0.75 O ATOM 343 CB THR A 22 -21.585 -0.592 4.155 1.00 0.88 C ATOM 344 OG1 THR A 22 -22.390 -1.650 3.612 1.00 1.00 O ATOM 345 CG2 THR A 22 -22.419 0.261 5.096 1.00 1.13 C ATOM 0 H THR A 22 -22.609 -0.468 1.889 1.00 0.83 H new ATOM 0 HA THR A 22 -20.872 1.280 3.363 1.00 0.82 H new ATOM 0 HB THR A 22 -20.757 -1.018 4.722 1.00 0.88 H new ATOM 0 HG1 THR A 22 -22.756 -2.191 4.343 1.00 1.00 H new ATOM 0 HG21 THR A 22 -22.818 -0.363 5.896 1.00 1.13 H new ATOM 0 HG22 THR A 22 -21.796 1.046 5.525 1.00 1.13 H new ATOM 0 HG23 THR A 22 -23.243 0.713 4.544 1.00 1.13 H new ATOM 353 N ILE A 23 -18.615 0.036 3.346 1.00 0.74 N ATOM 354 CA ILE A 23 -17.267 -0.442 3.057 1.00 0.69 C ATOM 355 C ILE A 23 -17.235 -1.972 2.993 1.00 0.67 C ATOM 356 O ILE A 23 -16.525 -2.557 2.171 1.00 0.63 O ATOM 357 CB ILE A 23 -16.254 0.058 4.112 1.00 0.68 C ATOM 358 CG1 ILE A 23 -16.155 1.591 4.080 1.00 0.71 C ATOM 359 CG2 ILE A 23 -14.886 -0.574 3.892 1.00 0.63 C ATOM 360 CD1 ILE A 23 -15.638 2.147 2.768 1.00 0.69 C ATOM 0 H ILE A 23 -18.678 0.647 4.160 1.00 0.74 H new ATOM 0 HA ILE A 23 -16.980 -0.039 2.086 1.00 0.69 H new ATOM 0 HB ILE A 23 -16.611 -0.243 5.097 1.00 0.68 H new ATOM 0 HG12 ILE A 23 -17.140 2.013 4.279 1.00 0.71 H new ATOM 0 HG13 ILE A 23 -15.499 1.920 4.886 1.00 0.71 H new ATOM 0 HG21 ILE A 23 -14.190 -0.207 4.646 1.00 0.63 H new ATOM 0 HG22 ILE A 23 -14.969 -1.658 3.972 1.00 0.63 H new ATOM 0 HG23 ILE A 23 -14.519 -0.310 2.900 1.00 0.63 H new ATOM 0 HD11 ILE A 23 -15.597 3.235 2.825 1.00 0.69 H new ATOM 0 HD12 ILE A 23 -14.639 1.756 2.576 1.00 0.69 H new ATOM 0 HD13 ILE A 23 -16.306 1.851 1.959 1.00 0.69 H new ATOM 372 N GLU A 24 -18.031 -2.615 3.845 1.00 0.71 N ATOM 373 CA GLU A 24 -18.094 -4.072 3.874 1.00 0.72 C ATOM 374 C GLU A 24 -18.664 -4.620 2.566 1.00 0.71 C ATOM 375 O GLU A 24 -18.173 -5.621 2.048 1.00 0.71 O ATOM 376 CB GLU A 24 -18.918 -4.571 5.070 1.00 0.80 C ATOM 377 CG GLU A 24 -20.252 -3.866 5.252 1.00 0.95 C ATOM 378 CD GLU A 24 -21.067 -4.446 6.391 1.00 0.97 C ATOM 379 OE1 GLU A 24 -20.960 -5.663 6.645 1.00 1.14 O ATOM 380 OE2 GLU A 24 -21.818 -3.691 7.039 1.00 1.64 O ATOM 0 H GLU A 24 -18.638 -2.151 4.521 1.00 0.71 H new ATOM 0 HA GLU A 24 -17.075 -4.443 3.988 1.00 0.72 H new ATOM 0 HB2 GLU A 24 -19.099 -5.639 4.950 1.00 0.80 H new ATOM 0 HB3 GLU A 24 -18.329 -4.447 5.979 1.00 0.80 H new ATOM 0 HG2 GLU A 24 -20.076 -2.807 5.438 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -20.825 -3.936 4.327 1.00 0.95 H new ATOM 387 N ASN A 25 -19.672 -3.947 2.016 1.00 0.72 N ATOM 388 CA ASN A 25 -20.281 -4.393 0.766 1.00 0.73 C ATOM 389 C ASN A 25 -19.293 -4.229 -0.382 1.00 0.69 C ATOM 390 O ASN A 25 -19.283 -5.018 -1.327 1.00 0.70 O ATOM 391 CB ASN A 25 -21.571 -3.621 0.469 1.00 0.79 C ATOM 392 CG ASN A 25 -22.477 -4.361 -0.502 1.00 0.86 C ATOM 393 OD1 ASN A 25 -22.454 -5.592 -0.577 1.00 0.96 O ATOM 394 ND2 ASN A 25 -23.282 -3.623 -1.251 1.00 0.97 N ATOM 0 H ASN A 25 -20.081 -3.100 2.411 1.00 0.72 H new ATOM 0 HA ASN A 25 -20.538 -5.447 0.871 1.00 0.73 H new ATOM 0 HB2 ASN A 25 -22.108 -3.444 1.401 1.00 0.79 H new ATOM 0 HB3 ASN A 25 -21.320 -2.644 0.055 1.00 0.79 H new ATOM 0 HD21 ASN A 25 -23.911 -4.071 -1.918 1.00 0.97 H new ATOM 0 HD22 ASN A 25 -23.273 -2.607 -1.161 1.00 0.97 H new ATOM 401 N VAL A 26 -18.453 -3.203 -0.284 1.00 0.65 N ATOM 402 CA VAL A 26 -17.437 -2.945 -1.296 1.00 0.62 C ATOM 403 C VAL A 26 -16.425 -4.083 -1.300 1.00 0.58 C ATOM 404 O VAL A 26 -16.073 -4.620 -2.351 1.00 0.57 O ATOM 405 CB VAL A 26 -16.696 -1.613 -1.039 1.00 0.60 C ATOM 406 CG1 VAL A 26 -15.738 -1.294 -2.181 1.00 0.59 C ATOM 407 CG2 VAL A 26 -17.685 -0.474 -0.837 1.00 0.63 C ATOM 0 H VAL A 26 -18.457 -2.536 0.488 1.00 0.65 H new ATOM 0 HA VAL A 26 -17.939 -2.875 -2.261 1.00 0.62 H new ATOM 0 HB VAL A 26 -16.112 -1.725 -0.126 1.00 0.60 H new ATOM 0 HG11 VAL A 26 -15.229 -0.352 -1.976 1.00 0.59 H new ATOM 0 HG12 VAL A 26 -15.001 -2.092 -2.272 1.00 0.59 H new ATOM 0 HG13 VAL A 26 -16.298 -1.209 -3.112 1.00 0.59 H new ATOM 0 HG21 VAL A 26 -17.141 0.453 -0.658 1.00 0.63 H new ATOM 0 HG22 VAL A 26 -18.302 -0.366 -1.729 1.00 0.63 H new ATOM 0 HG23 VAL A 26 -18.321 -0.693 0.020 1.00 0.63 H new ATOM 417 N LYS A 27 -15.983 -4.456 -0.104 1.00 0.57 N ATOM 418 CA LYS A 27 -15.020 -5.536 0.063 1.00 0.54 C ATOM 419 C LYS A 27 -15.629 -6.874 -0.349 1.00 0.55 C ATOM 420 O LYS A 27 -14.933 -7.746 -0.872 1.00 0.52 O ATOM 421 CB LYS A 27 -14.534 -5.596 1.513 1.00 0.59 C ATOM 422 CG LYS A 27 -13.846 -4.321 1.974 1.00 0.67 C ATOM 423 CD LYS A 27 -13.555 -4.346 3.465 1.00 0.82 C ATOM 424 CE LYS A 27 -12.542 -5.421 3.811 1.00 1.03 C ATOM 425 NZ LYS A 27 -12.293 -5.509 5.271 1.00 1.08 N ATOM 0 H LYS A 27 -16.280 -4.022 0.770 1.00 0.57 H new ATOM 0 HA LYS A 27 -14.166 -5.336 -0.584 1.00 0.54 H new ATOM 0 HB2 LYS A 27 -15.384 -5.797 2.165 1.00 0.59 H new ATOM 0 HB3 LYS A 27 -13.843 -6.432 1.622 1.00 0.59 H new ATOM 0 HG2 LYS A 27 -12.914 -4.191 1.424 1.00 0.67 H new ATOM 0 HG3 LYS A 27 -14.476 -3.463 1.741 1.00 0.67 H new ATOM 0 HD2 LYS A 27 -13.178 -3.373 3.780 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -14.479 -4.524 4.015 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -12.899 -6.384 3.446 1.00 1.03 H new ATOM 0 HE3 LYS A 27 -11.604 -5.213 3.296 1.00 1.03 H new ATOM 0 HZ1 LYS A 27 -12.159 -6.504 5.541 1.00 1.08 H new ATOM 0 HZ2 LYS A 27 -11.438 -4.968 5.511 1.00 1.08 H new ATOM 0 HZ3 LYS A 27 -13.107 -5.117 5.786 1.00 1.08 H new ATOM 439 N ALA A 28 -16.928 -7.026 -0.112 1.00 0.63 N ATOM 440 CA ALA A 28 -17.636 -8.247 -0.476 1.00 0.68 C ATOM 441 C ALA A 28 -17.645 -8.423 -1.990 1.00 0.68 C ATOM 442 O ALA A 28 -17.494 -9.535 -2.501 1.00 0.75 O ATOM 443 CB ALA A 28 -19.057 -8.218 0.067 1.00 0.75 C ATOM 0 H ALA A 28 -17.512 -6.317 0.331 1.00 0.63 H new ATOM 0 HA ALA A 28 -17.116 -9.096 -0.033 1.00 0.68 H new ATOM 0 HB1 ALA A 28 -19.572 -9.137 -0.213 1.00 0.75 H new ATOM 0 HB2 ALA A 28 -19.030 -8.134 1.153 1.00 0.75 H new ATOM 0 HB3 ALA A 28 -19.588 -7.362 -0.350 1.00 0.75 H new ATOM 449 N LYS A 29 -17.810 -7.311 -2.702 1.00 0.65 N ATOM 450 CA LYS A 29 -17.817 -7.319 -4.163 1.00 0.70 C ATOM 451 C LYS A 29 -16.473 -7.807 -4.688 1.00 0.67 C ATOM 452 O LYS A 29 -16.405 -8.562 -5.659 1.00 0.76 O ATOM 453 CB LYS A 29 -18.107 -5.917 -4.706 1.00 0.72 C ATOM 454 CG LYS A 29 -19.498 -5.761 -5.289 1.00 1.05 C ATOM 455 CD LYS A 29 -19.608 -4.485 -6.103 1.00 1.00 C ATOM 456 CE LYS A 29 -20.937 -4.398 -6.835 1.00 1.39 C ATOM 457 NZ LYS A 29 -20.903 -3.372 -7.908 1.00 1.23 N ATOM 0 H LYS A 29 -17.941 -6.388 -2.288 1.00 0.65 H new ATOM 0 HA LYS A 29 -18.602 -7.995 -4.501 1.00 0.70 H new ATOM 0 HB2 LYS A 29 -17.977 -5.192 -3.902 1.00 0.72 H new ATOM 0 HB3 LYS A 29 -17.372 -5.676 -5.474 1.00 0.72 H new ATOM 0 HG2 LYS A 29 -19.730 -6.619 -5.919 1.00 1.05 H new ATOM 0 HG3 LYS A 29 -20.234 -5.748 -4.485 1.00 1.05 H new ATOM 0 HD2 LYS A 29 -19.498 -3.623 -5.445 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -18.792 -4.442 -6.824 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -21.180 -5.369 -7.267 1.00 1.39 H new ATOM 0 HE3 LYS A 29 -21.729 -4.158 -6.126 1.00 1.39 H new ATOM 0 HZ1 LYS A 29 -21.820 -3.351 -8.398 1.00 1.23 H new ATOM 0 HZ2 LYS A 29 -20.712 -2.439 -7.490 1.00 1.23 H new ATOM 0 HZ3 LYS A 29 -20.152 -3.606 -8.589 1.00 1.23 H new ATOM 471 N ILE A 30 -15.407 -7.385 -4.020 1.00 0.57 N ATOM 472 CA ILE A 30 -14.057 -7.769 -4.401 1.00 0.55 C ATOM 473 C ILE A 30 -13.841 -9.263 -4.156 1.00 0.61 C ATOM 474 O ILE A 30 -13.098 -9.921 -4.883 1.00 0.65 O ATOM 475 CB ILE A 30 -13.000 -6.946 -3.631 1.00 0.45 C ATOM 476 CG1 ILE A 30 -13.299 -5.451 -3.769 1.00 0.48 C ATOM 477 CG2 ILE A 30 -11.599 -7.260 -4.143 1.00 0.46 C ATOM 478 CD1 ILE A 30 -12.419 -4.559 -2.920 1.00 0.45 C ATOM 0 H ILE A 30 -15.454 -6.772 -3.206 1.00 0.57 H new ATOM 0 HA ILE A 30 -13.938 -7.561 -5.464 1.00 0.55 H new ATOM 0 HB ILE A 30 -13.045 -7.218 -2.576 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -13.185 -5.165 -4.815 1.00 0.48 H new ATOM 0 HG13 ILE A 30 -14.341 -5.275 -3.502 1.00 0.48 H new ATOM 0 HG21 ILE A 30 -10.868 -6.671 -3.589 1.00 0.46 H new ATOM 0 HG22 ILE A 30 -11.390 -8.321 -4.004 1.00 0.46 H new ATOM 0 HG23 ILE A 30 -11.535 -7.013 -5.203 1.00 0.46 H new ATOM 0 HD11 ILE A 30 -12.697 -3.517 -3.078 1.00 0.45 H new ATOM 0 HD12 ILE A 30 -12.549 -4.814 -1.868 1.00 0.45 H new ATOM 0 HD13 ILE A 30 -11.376 -4.703 -3.202 1.00 0.45 H new ATOM 490 N GLN A 31 -14.514 -9.800 -3.145 1.00 0.64 N ATOM 491 CA GLN A 31 -14.405 -11.219 -2.829 1.00 0.74 C ATOM 492 C GLN A 31 -15.126 -12.050 -3.884 1.00 0.81 C ATOM 493 O GLN A 31 -14.783 -13.204 -4.126 1.00 0.87 O ATOM 494 CB GLN A 31 -14.996 -11.514 -1.452 1.00 0.80 C ATOM 495 CG GLN A 31 -14.693 -12.923 -0.964 1.00 1.04 C ATOM 496 CD GLN A 31 -15.793 -13.500 -0.105 1.00 1.06 C ATOM 497 OE1 GLN A 31 -16.510 -12.773 0.582 1.00 0.95 O ATOM 498 NE2 GLN A 31 -15.937 -14.814 -0.132 1.00 1.53 N ATOM 0 H GLN A 31 -15.139 -9.276 -2.532 1.00 0.64 H new ATOM 0 HA GLN A 31 -13.348 -11.485 -2.821 1.00 0.74 H new ATOM 0 HB2 GLN A 31 -14.604 -10.794 -0.733 1.00 0.80 H new ATOM 0 HB3 GLN A 31 -16.076 -11.373 -1.488 1.00 0.80 H new ATOM 0 HG2 GLN A 31 -14.533 -13.573 -1.824 1.00 1.04 H new ATOM 0 HG3 GLN A 31 -13.763 -12.912 -0.395 1.00 1.04 H new ATOM 0 HE21 GLN A 31 -15.322 -15.383 -0.715 1.00 1.53 H new ATOM 0 HE22 GLN A 31 -16.663 -15.259 0.430 1.00 1.53 H new ATOM 507 N ASP A 32 -16.119 -11.445 -4.513 1.00 0.85 N ATOM 508 CA ASP A 32 -16.894 -12.119 -5.544 1.00 0.94 C ATOM 509 C ASP A 32 -16.149 -12.114 -6.875 1.00 0.97 C ATOM 510 O ASP A 32 -16.077 -13.133 -7.562 1.00 1.05 O ATOM 511 CB ASP A 32 -18.259 -11.447 -5.705 1.00 1.01 C ATOM 512 CG ASP A 32 -19.107 -12.106 -6.773 1.00 1.17 C ATOM 513 OD1 ASP A 32 -19.258 -13.344 -6.734 1.00 1.33 O ATOM 514 OD2 ASP A 32 -19.647 -11.389 -7.644 1.00 1.32 O ATOM 0 H ASP A 32 -16.409 -10.485 -4.328 1.00 0.85 H new ATOM 0 HA ASP A 32 -17.041 -13.154 -5.236 1.00 0.94 H new ATOM 0 HB2 ASP A 32 -18.790 -11.478 -4.754 1.00 1.01 H new ATOM 0 HB3 ASP A 32 -18.116 -10.396 -5.956 1.00 1.01 H new ATOM 519 N LYS A 33 -15.575 -10.970 -7.221 1.00 0.95 N ATOM 520 CA LYS A 33 -14.846 -10.831 -8.478 1.00 1.02 C ATOM 521 C LYS A 33 -13.424 -11.380 -8.381 1.00 0.98 C ATOM 522 O LYS A 33 -13.068 -12.323 -9.084 1.00 1.14 O ATOM 523 CB LYS A 33 -14.804 -9.362 -8.901 1.00 1.02 C ATOM 524 CG LYS A 33 -16.177 -8.725 -9.037 1.00 1.05 C ATOM 525 CD LYS A 33 -16.095 -7.359 -9.694 1.00 1.15 C ATOM 526 CE LYS A 33 -17.434 -6.645 -9.655 1.00 1.33 C ATOM 527 NZ LYS A 33 -17.434 -5.419 -10.492 1.00 1.55 N ATOM 0 H LYS A 33 -15.599 -10.125 -6.651 1.00 0.95 H new ATOM 0 HA LYS A 33 -15.377 -11.417 -9.228 1.00 1.02 H new ATOM 0 HB2 LYS A 33 -14.223 -8.799 -8.170 1.00 1.02 H new ATOM 0 HB3 LYS A 33 -14.281 -9.282 -9.854 1.00 1.02 H new ATOM 0 HG2 LYS A 33 -16.824 -9.375 -9.626 1.00 1.05 H new ATOM 0 HG3 LYS A 33 -16.634 -8.629 -8.052 1.00 1.05 H new ATOM 0 HD2 LYS A 33 -15.343 -6.754 -9.187 1.00 1.15 H new ATOM 0 HD3 LYS A 33 -15.770 -7.470 -10.728 1.00 1.15 H new ATOM 0 HE2 LYS A 33 -18.216 -7.321 -10.002 1.00 1.33 H new ATOM 0 HE3 LYS A 33 -17.675 -6.381 -8.625 1.00 1.33 H new ATOM 0 HZ1 LYS A 33 -17.655 -4.594 -9.899 1.00 1.55 H new ATOM 0 HZ2 LYS A 33 -16.496 -5.294 -10.924 1.00 1.55 H new ATOM 0 HZ3 LYS A 33 -18.151 -5.509 -11.240 1.00 1.55 H new ATOM 541 N GLU A 34 -12.621 -10.792 -7.501 1.00 0.84 N ATOM 542 CA GLU A 34 -11.234 -11.210 -7.332 1.00 0.82 C ATOM 543 C GLU A 34 -11.140 -12.507 -6.540 1.00 0.82 C ATOM 544 O GLU A 34 -10.385 -13.407 -6.900 1.00 1.08 O ATOM 545 CB GLU A 34 -10.428 -10.111 -6.640 1.00 0.75 C ATOM 546 CG GLU A 34 -10.504 -8.765 -7.351 1.00 1.08 C ATOM 547 CD GLU A 34 -10.231 -8.872 -8.839 1.00 1.63 C ATOM 548 OE1 GLU A 34 -9.052 -9.006 -9.226 1.00 1.88 O ATOM 549 OE2 GLU A 34 -11.194 -8.828 -9.634 1.00 2.06 O ATOM 0 H GLU A 34 -12.907 -10.024 -6.893 1.00 0.84 H new ATOM 0 HA GLU A 34 -10.816 -11.388 -8.323 1.00 0.82 H new ATOM 0 HB2 GLU A 34 -10.789 -9.995 -5.618 1.00 0.75 H new ATOM 0 HB3 GLU A 34 -9.385 -10.421 -6.576 1.00 0.75 H new ATOM 0 HG2 GLU A 34 -11.493 -8.333 -7.198 1.00 1.08 H new ATOM 0 HG3 GLU A 34 -9.784 -8.081 -6.902 1.00 1.08 H new ATOM 556 N GLY A 35 -11.908 -12.597 -5.464 1.00 0.96 N ATOM 557 CA GLY A 35 -11.902 -13.799 -4.650 1.00 0.98 C ATOM 558 C GLY A 35 -11.135 -13.636 -3.352 1.00 0.87 C ATOM 559 O GLY A 35 -10.834 -14.622 -2.678 1.00 1.01 O ATOM 0 H GLY A 35 -12.535 -11.861 -5.139 1.00 0.96 H new ATOM 0 HA2 GLY A 35 -12.930 -14.083 -4.424 1.00 0.98 H new ATOM 0 HA3 GLY A 35 -11.464 -14.616 -5.223 1.00 0.98 H new ATOM 563 N ILE A 36 -10.824 -12.397 -2.992 1.00 0.83 N ATOM 564 CA ILE A 36 -10.079 -12.121 -1.767 1.00 0.72 C ATOM 565 C ILE A 36 -11.026 -11.896 -0.587 1.00 0.68 C ATOM 566 O ILE A 36 -11.889 -11.017 -0.642 1.00 0.71 O ATOM 567 CB ILE A 36 -9.165 -10.884 -1.932 1.00 0.70 C ATOM 568 CG1 ILE A 36 -8.251 -11.058 -3.148 1.00 0.86 C ATOM 569 CG2 ILE A 36 -8.338 -10.648 -0.672 1.00 0.66 C ATOM 570 CD1 ILE A 36 -7.469 -9.811 -3.504 1.00 0.88 C ATOM 0 H ILE A 36 -11.075 -11.567 -3.529 1.00 0.83 H new ATOM 0 HA ILE A 36 -9.458 -12.994 -1.566 1.00 0.72 H new ATOM 0 HB ILE A 36 -9.797 -10.010 -2.091 1.00 0.70 H new ATOM 0 HG12 ILE A 36 -7.552 -11.871 -2.953 1.00 0.86 H new ATOM 0 HG13 ILE A 36 -8.854 -11.355 -4.006 1.00 0.86 H new ATOM 0 HG21 ILE A 36 -7.703 -9.773 -0.812 1.00 0.66 H new ATOM 0 HG22 ILE A 36 -9.004 -10.481 0.175 1.00 0.66 H new ATOM 0 HG23 ILE A 36 -7.715 -11.521 -0.477 1.00 0.66 H new ATOM 0 HD11 ILE A 36 -6.844 -10.010 -4.375 1.00 0.88 H new ATOM 0 HD12 ILE A 36 -8.161 -9.000 -3.732 1.00 0.88 H new ATOM 0 HD13 ILE A 36 -6.838 -9.524 -2.662 1.00 0.88 H new ATOM 582 N PRO A 37 -10.881 -12.695 0.488 1.00 0.70 N ATOM 583 CA PRO A 37 -11.725 -12.580 1.685 1.00 0.76 C ATOM 584 C PRO A 37 -11.628 -11.201 2.334 1.00 0.68 C ATOM 585 O PRO A 37 -10.534 -10.665 2.518 1.00 0.66 O ATOM 586 CB PRO A 37 -11.171 -13.650 2.636 1.00 0.91 C ATOM 587 CG PRO A 37 -9.816 -13.980 2.108 1.00 0.86 C ATOM 588 CD PRO A 37 -9.891 -13.777 0.624 1.00 0.75 C ATOM 0 HA PRO A 37 -12.779 -12.715 1.443 1.00 0.76 H new ATOM 0 HB2 PRO A 37 -11.115 -13.277 3.659 1.00 0.91 H new ATOM 0 HB3 PRO A 37 -11.812 -14.531 2.653 1.00 0.91 H new ATOM 0 HG2 PRO A 37 -9.057 -13.336 2.552 1.00 0.86 H new ATOM 0 HG3 PRO A 37 -9.543 -15.008 2.348 1.00 0.86 H new ATOM 0 HD2 PRO A 37 -8.925 -13.495 0.206 1.00 0.75 H new ATOM 0 HD3 PRO A 37 -10.210 -14.683 0.108 1.00 0.75 H new ATOM 596 N PRO A 38 -12.776 -10.615 2.710 1.00 0.67 N ATOM 597 CA PRO A 38 -12.822 -9.286 3.332 1.00 0.65 C ATOM 598 C PRO A 38 -12.143 -9.247 4.702 1.00 0.74 C ATOM 599 O PRO A 38 -11.754 -8.183 5.184 1.00 0.75 O ATOM 600 CB PRO A 38 -14.323 -9.002 3.460 1.00 0.70 C ATOM 601 CG PRO A 38 -14.971 -10.345 3.454 1.00 0.76 C ATOM 602 CD PRO A 38 -14.123 -11.202 2.561 1.00 0.73 C ATOM 0 HA PRO A 38 -12.285 -8.545 2.740 1.00 0.65 H new ATOM 0 HB2 PRO A 38 -14.545 -8.460 4.379 1.00 0.70 H new ATOM 0 HB3 PRO A 38 -14.680 -8.387 2.634 1.00 0.70 H new ATOM 0 HG2 PRO A 38 -15.022 -10.759 4.461 1.00 0.76 H new ATOM 0 HG3 PRO A 38 -15.994 -10.284 3.082 1.00 0.76 H new ATOM 0 HD2 PRO A 38 -14.143 -12.247 2.869 1.00 0.73 H new ATOM 0 HD3 PRO A 38 -14.465 -11.168 1.527 1.00 0.73 H new ATOM 610 N ASP A 39 -12.000 -10.414 5.312 1.00 0.85 N ATOM 611 CA ASP A 39 -11.375 -10.536 6.623 1.00 1.00 C ATOM 612 C ASP A 39 -9.890 -10.205 6.562 1.00 0.95 C ATOM 613 O ASP A 39 -9.356 -9.529 7.441 1.00 1.05 O ATOM 614 CB ASP A 39 -11.554 -11.957 7.160 1.00 1.20 C ATOM 615 CG ASP A 39 -12.979 -12.451 7.050 1.00 1.18 C ATOM 616 OD1 ASP A 39 -13.431 -12.723 5.917 1.00 1.57 O ATOM 617 OD2 ASP A 39 -13.655 -12.564 8.095 1.00 1.53 O ATOM 0 H ASP A 39 -12.312 -11.300 4.915 1.00 0.85 H new ATOM 0 HA ASP A 39 -11.862 -9.824 7.290 1.00 1.00 H new ATOM 0 HB2 ASP A 39 -10.897 -12.633 6.612 1.00 1.20 H new ATOM 0 HB3 ASP A 39 -11.244 -11.987 8.204 1.00 1.20 H new ATOM 622 N GLN A 40 -9.223 -10.693 5.521 1.00 0.91 N ATOM 623 CA GLN A 40 -7.791 -10.466 5.349 1.00 0.94 C ATOM 624 C GLN A 40 -7.537 -9.249 4.463 1.00 0.84 C ATOM 625 O GLN A 40 -6.427 -8.724 4.411 1.00 0.93 O ATOM 626 CB GLN A 40 -7.121 -11.702 4.736 1.00 1.05 C ATOM 627 CG GLN A 40 -6.767 -12.792 5.743 1.00 1.25 C ATOM 628 CD GLN A 40 -7.982 -13.396 6.421 1.00 1.38 C ATOM 629 OE1 GLN A 40 -8.630 -14.286 5.877 1.00 1.98 O ATOM 630 NE2 GLN A 40 -8.286 -12.926 7.622 1.00 1.60 N ATOM 0 H GLN A 40 -9.652 -11.250 4.782 1.00 0.91 H new ATOM 0 HA GLN A 40 -7.360 -10.279 6.333 1.00 0.94 H new ATOM 0 HB2 GLN A 40 -7.785 -12.123 3.981 1.00 1.05 H new ATOM 0 HB3 GLN A 40 -6.212 -11.390 4.222 1.00 1.05 H new ATOM 0 HG2 GLN A 40 -6.213 -13.581 5.235 1.00 1.25 H new ATOM 0 HG3 GLN A 40 -6.105 -12.375 6.502 1.00 1.25 H new ATOM 0 HE21 GLN A 40 -7.721 -12.186 8.038 1.00 1.60 H new ATOM 0 HE22 GLN A 40 -9.085 -13.305 8.131 1.00 1.60 H new ATOM 639 N GLN A 41 -8.579 -8.811 3.777 1.00 0.75 N ATOM 640 CA GLN A 41 -8.494 -7.664 2.886 1.00 0.70 C ATOM 641 C GLN A 41 -8.519 -6.358 3.675 1.00 0.60 C ATOM 642 O GLN A 41 -9.515 -6.036 4.332 1.00 0.68 O ATOM 643 CB GLN A 41 -9.655 -7.706 1.890 1.00 0.73 C ATOM 644 CG GLN A 41 -9.685 -6.537 0.926 1.00 0.74 C ATOM 645 CD GLN A 41 -10.493 -6.824 -0.326 1.00 0.74 C ATOM 646 OE1 GLN A 41 -10.228 -6.271 -1.384 1.00 1.32 O ATOM 647 NE2 GLN A 41 -11.477 -7.706 -0.213 1.00 0.87 N ATOM 0 H GLN A 41 -9.504 -9.238 3.821 1.00 0.75 H new ATOM 0 HA GLN A 41 -7.550 -7.709 2.344 1.00 0.70 H new ATOM 0 HB2 GLN A 41 -9.597 -8.633 1.319 1.00 0.73 H new ATOM 0 HB3 GLN A 41 -10.594 -7.731 2.443 1.00 0.73 H new ATOM 0 HG2 GLN A 41 -10.104 -5.667 1.431 1.00 0.74 H new ATOM 0 HG3 GLN A 41 -8.664 -6.280 0.643 1.00 0.74 H new ATOM 0 HE21 GLN A 41 -11.667 -8.146 0.688 1.00 0.87 H new ATOM 0 HE22 GLN A 41 -12.044 -7.945 -1.027 1.00 0.87 H new ATOM 656 N ARG A 42 -7.423 -5.617 3.613 1.00 0.54 N ATOM 657 CA ARG A 42 -7.316 -4.349 4.317 1.00 0.55 C ATOM 658 C ARG A 42 -7.158 -3.204 3.317 1.00 0.47 C ATOM 659 O ARG A 42 -6.248 -3.212 2.489 1.00 0.51 O ATOM 660 CB ARG A 42 -6.131 -4.382 5.288 1.00 0.71 C ATOM 661 CG ARG A 42 -6.230 -3.362 6.411 1.00 0.83 C ATOM 662 CD ARG A 42 -5.149 -3.583 7.456 1.00 1.06 C ATOM 663 NE ARG A 42 -4.067 -2.602 7.352 1.00 0.88 N ATOM 664 CZ ARG A 42 -2.841 -2.883 6.911 1.00 0.94 C ATOM 665 NH1 ARG A 42 -2.535 -4.102 6.493 1.00 1.58 N ATOM 666 NH2 ARG A 42 -1.907 -1.941 6.875 1.00 1.55 N ATOM 0 H ARG A 42 -6.592 -5.874 3.080 1.00 0.54 H new ATOM 0 HA ARG A 42 -8.228 -4.185 4.890 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -6.056 -5.379 5.721 1.00 0.71 H new ATOM 0 HB3 ARG A 42 -5.211 -4.206 4.730 1.00 0.71 H new ATOM 0 HG2 ARG A 42 -6.141 -2.356 6.000 1.00 0.83 H new ATOM 0 HG3 ARG A 42 -7.211 -3.429 6.880 1.00 0.83 H new ATOM 0 HD2 ARG A 42 -5.592 -3.528 8.451 1.00 1.06 H new ATOM 0 HD3 ARG A 42 -4.739 -4.587 7.344 1.00 1.06 H new ATOM 0 HE ARG A 42 -4.264 -1.642 7.635 1.00 0.88 H new ATOM 0 HH11 ARG A 42 -3.241 -4.838 6.506 1.00 1.58 H new ATOM 0 HH12 ARG A 42 -1.593 -4.305 6.158 1.00 1.58 H new ATOM 0 HH21 ARG A 42 -2.125 -0.994 7.186 1.00 1.55 H new ATOM 0 HH22 ARG A 42 -0.971 -2.164 6.536 1.00 1.55 H new ATOM 680 N LEU A 43 -8.054 -2.231 3.391 1.00 0.47 N ATOM 681 CA LEU A 43 -8.015 -1.088 2.492 1.00 0.43 C ATOM 682 C LEU A 43 -7.575 0.166 3.234 1.00 0.47 C ATOM 683 O LEU A 43 -8.143 0.516 4.268 1.00 0.55 O ATOM 684 CB LEU A 43 -9.394 -0.866 1.862 1.00 0.44 C ATOM 685 CG LEU A 43 -9.894 -2.000 0.962 1.00 0.40 C ATOM 686 CD1 LEU A 43 -11.358 -1.788 0.605 1.00 0.50 C ATOM 687 CD2 LEU A 43 -9.048 -2.090 -0.300 1.00 0.40 C ATOM 0 H LEU A 43 -8.818 -2.211 4.066 1.00 0.47 H new ATOM 0 HA LEU A 43 -7.291 -1.296 1.704 1.00 0.43 H new ATOM 0 HB2 LEU A 43 -10.119 -0.712 2.661 1.00 0.44 H new ATOM 0 HB3 LEU A 43 -9.364 0.053 1.277 1.00 0.44 H new ATOM 0 HG LEU A 43 -9.803 -2.939 1.507 1.00 0.40 H new ATOM 0 HD11 LEU A 43 -11.698 -2.602 -0.035 1.00 0.50 H new ATOM 0 HD12 LEU A 43 -11.956 -1.769 1.516 1.00 0.50 H new ATOM 0 HD13 LEU A 43 -11.470 -0.841 0.077 1.00 0.50 H new ATOM 0 HD21 LEU A 43 -9.417 -2.901 -0.928 1.00 0.40 H new ATOM 0 HD22 LEU A 43 -9.110 -1.150 -0.848 1.00 0.40 H new ATOM 0 HD23 LEU A 43 -8.010 -2.284 -0.029 1.00 0.40 H new ATOM 699 N ILE A 44 -6.556 0.831 2.705 1.00 0.45 N ATOM 700 CA ILE A 44 -6.026 2.044 3.312 1.00 0.50 C ATOM 701 C ILE A 44 -6.325 3.266 2.441 1.00 0.52 C ATOM 702 O ILE A 44 -6.008 3.285 1.251 1.00 0.52 O ATOM 703 CB ILE A 44 -4.499 1.940 3.538 1.00 0.54 C ATOM 704 CG1 ILE A 44 -4.179 0.804 4.514 1.00 0.54 C ATOM 705 CG2 ILE A 44 -3.934 3.259 4.046 1.00 0.63 C ATOM 706 CD1 ILE A 44 -2.695 0.561 4.692 1.00 0.62 C ATOM 0 H ILE A 44 -6.077 0.547 1.850 1.00 0.45 H new ATOM 0 HA ILE A 44 -6.518 2.161 4.278 1.00 0.50 H new ATOM 0 HB ILE A 44 -4.027 1.717 2.581 1.00 0.54 H new ATOM 0 HG12 ILE A 44 -4.620 1.034 5.484 1.00 0.54 H new ATOM 0 HG13 ILE A 44 -4.649 -0.113 4.159 1.00 0.54 H new ATOM 0 HG21 ILE A 44 -2.859 3.160 4.197 1.00 0.63 H new ATOM 0 HG22 ILE A 44 -4.127 4.043 3.314 1.00 0.63 H new ATOM 0 HG23 ILE A 44 -4.411 3.519 4.991 1.00 0.63 H new ATOM 0 HD11 ILE A 44 -2.542 -0.257 5.396 1.00 0.62 H new ATOM 0 HD12 ILE A 44 -2.251 0.300 3.731 1.00 0.62 H new ATOM 0 HD13 ILE A 44 -2.222 1.464 5.077 1.00 0.62 H new ATOM 718 N PHE A 45 -6.941 4.276 3.041 1.00 0.56 N ATOM 719 CA PHE A 45 -7.277 5.505 2.341 1.00 0.59 C ATOM 720 C PHE A 45 -6.988 6.711 3.233 1.00 0.68 C ATOM 721 O PHE A 45 -7.464 6.779 4.364 1.00 0.72 O ATOM 722 CB PHE A 45 -8.753 5.492 1.929 1.00 0.65 C ATOM 723 CG PHE A 45 -9.166 6.678 1.102 1.00 0.73 C ATOM 724 CD1 PHE A 45 -8.856 6.742 -0.248 1.00 0.79 C ATOM 725 CD2 PHE A 45 -9.867 7.728 1.675 1.00 0.85 C ATOM 726 CE1 PHE A 45 -9.239 7.831 -1.010 1.00 0.92 C ATOM 727 CE2 PHE A 45 -10.252 8.819 0.919 1.00 0.96 C ATOM 728 CZ PHE A 45 -9.937 8.870 -0.428 1.00 0.98 C ATOM 0 H PHE A 45 -7.220 4.265 4.022 1.00 0.56 H new ATOM 0 HA PHE A 45 -6.665 5.578 1.442 1.00 0.59 H new ATOM 0 HB2 PHE A 45 -8.955 4.581 1.366 1.00 0.65 H new ATOM 0 HB3 PHE A 45 -9.370 5.455 2.827 1.00 0.65 H new ATOM 0 HD1 PHE A 45 -8.310 5.933 -0.710 1.00 0.79 H new ATOM 0 HD2 PHE A 45 -10.115 7.693 2.725 1.00 0.85 H new ATOM 0 HE1 PHE A 45 -8.992 7.868 -2.061 1.00 0.92 H new ATOM 0 HE2 PHE A 45 -10.798 9.630 1.378 1.00 0.96 H new ATOM 0 HZ PHE A 45 -10.237 9.721 -1.022 1.00 0.98 H new ATOM 738 N ALA A 46 -6.177 7.639 2.726 1.00 0.79 N ATOM 739 CA ALA A 46 -5.812 8.860 3.455 1.00 0.95 C ATOM 740 C ALA A 46 -5.141 8.549 4.795 1.00 0.94 C ATOM 741 O ALA A 46 -5.328 9.265 5.781 1.00 1.10 O ATOM 742 CB ALA A 46 -7.036 9.746 3.661 1.00 1.05 C ATOM 0 H ALA A 46 -5.754 7.569 1.801 1.00 0.79 H new ATOM 0 HA ALA A 46 -5.086 9.398 2.846 1.00 0.95 H new ATOM 0 HB1 ALA A 46 -6.746 10.646 4.203 1.00 1.05 H new ATOM 0 HB2 ALA A 46 -7.451 10.023 2.692 1.00 1.05 H new ATOM 0 HB3 ALA A 46 -7.786 9.202 4.235 1.00 1.05 H new ATOM 748 N GLY A 47 -4.359 7.475 4.824 1.00 0.93 N ATOM 749 CA GLY A 47 -3.660 7.088 6.040 1.00 0.93 C ATOM 750 C GLY A 47 -4.573 6.466 7.080 1.00 0.82 C ATOM 751 O GLY A 47 -4.229 6.403 8.261 1.00 0.91 O ATOM 0 H GLY A 47 -4.195 6.862 4.025 1.00 0.93 H new ATOM 0 HA2 GLY A 47 -2.871 6.380 5.788 1.00 0.93 H new ATOM 0 HA3 GLY A 47 -3.176 7.966 6.469 1.00 0.93 H new ATOM 755 N LYS A 48 -5.735 6.006 6.644 1.00 0.78 N ATOM 756 CA LYS A 48 -6.701 5.385 7.537 1.00 0.77 C ATOM 757 C LYS A 48 -7.327 4.166 6.862 1.00 0.68 C ATOM 758 O LYS A 48 -7.640 4.201 5.672 1.00 0.61 O ATOM 759 CB LYS A 48 -7.777 6.411 7.922 1.00 0.91 C ATOM 760 CG LYS A 48 -9.063 5.810 8.471 1.00 1.51 C ATOM 761 CD LYS A 48 -8.877 5.237 9.866 1.00 2.12 C ATOM 762 CE LYS A 48 -10.171 4.625 10.382 1.00 2.92 C ATOM 763 NZ LYS A 48 -10.058 4.194 11.799 1.00 3.57 N ATOM 0 H LYS A 48 -6.034 6.052 5.670 1.00 0.78 H new ATOM 0 HA LYS A 48 -6.198 5.050 8.444 1.00 0.77 H new ATOM 0 HB2 LYS A 48 -7.362 7.090 8.667 1.00 0.91 H new ATOM 0 HB3 LYS A 48 -8.018 7.011 7.044 1.00 0.91 H new ATOM 0 HG2 LYS A 48 -9.839 6.575 8.495 1.00 1.51 H new ATOM 0 HG3 LYS A 48 -9.410 5.024 7.800 1.00 1.51 H new ATOM 0 HD2 LYS A 48 -8.093 4.479 9.850 1.00 2.12 H new ATOM 0 HD3 LYS A 48 -8.547 6.023 10.545 1.00 2.12 H new ATOM 0 HE2 LYS A 48 -10.978 5.351 10.288 1.00 2.92 H new ATOM 0 HE3 LYS A 48 -10.439 3.769 9.763 1.00 2.92 H new ATOM 0 HZ1 LYS A 48 -10.791 3.486 12.006 1.00 3.57 H new ATOM 0 HZ2 LYS A 48 -9.119 3.777 11.961 1.00 3.57 H new ATOM 0 HZ3 LYS A 48 -10.184 5.016 12.423 1.00 3.57 H new ATOM 777 N GLN A 49 -7.469 3.078 7.606 1.00 0.77 N ATOM 778 CA GLN A 49 -8.074 1.873 7.060 1.00 0.74 C ATOM 779 C GLN A 49 -9.592 2.009 7.070 1.00 0.72 C ATOM 780 O GLN A 49 -10.179 2.477 8.049 1.00 0.78 O ATOM 781 CB GLN A 49 -7.623 0.624 7.829 1.00 0.80 C ATOM 782 CG GLN A 49 -7.936 0.642 9.318 1.00 1.06 C ATOM 783 CD GLN A 49 -7.293 -0.520 10.054 1.00 1.51 C ATOM 784 OE1 GLN A 49 -7.056 -1.583 9.478 1.00 1.83 O ATOM 785 NE2 GLN A 49 -7.006 -0.326 11.331 1.00 2.01 N ATOM 0 H GLN A 49 -7.176 3.005 8.580 1.00 0.77 H new ATOM 0 HA GLN A 49 -7.740 1.752 6.030 1.00 0.74 H new ATOM 0 HB2 GLN A 49 -8.097 -0.250 7.383 1.00 0.80 H new ATOM 0 HB3 GLN A 49 -6.547 0.504 7.700 1.00 0.80 H new ATOM 0 HG2 GLN A 49 -7.587 1.580 9.749 1.00 1.06 H new ATOM 0 HG3 GLN A 49 -9.016 0.607 9.461 1.00 1.06 H new ATOM 0 HE21 GLN A 49 -7.218 0.569 11.771 1.00 2.01 H new ATOM 0 HE22 GLN A 49 -6.572 -1.072 11.875 1.00 2.01 H new ATOM 794 N LEU A 50 -10.212 1.625 5.968 1.00 0.68 N ATOM 795 CA LEU A 50 -11.657 1.722 5.825 1.00 0.68 C ATOM 796 C LEU A 50 -12.373 0.738 6.743 1.00 0.71 C ATOM 797 O LEU A 50 -12.218 -0.478 6.614 1.00 0.69 O ATOM 798 CB LEU A 50 -12.056 1.471 4.370 1.00 0.64 C ATOM 799 CG LEU A 50 -11.337 2.344 3.339 1.00 0.62 C ATOM 800 CD1 LEU A 50 -11.738 1.948 1.929 1.00 0.56 C ATOM 801 CD2 LEU A 50 -11.632 3.818 3.572 1.00 0.72 C ATOM 0 H LEU A 50 -9.735 1.240 5.153 1.00 0.68 H new ATOM 0 HA LEU A 50 -11.958 2.729 6.113 1.00 0.68 H new ATOM 0 HB2 LEU A 50 -11.865 0.424 4.133 1.00 0.64 H new ATOM 0 HB3 LEU A 50 -13.130 1.630 4.272 1.00 0.64 H new ATOM 0 HG LEU A 50 -10.265 2.185 3.457 1.00 0.62 H new ATOM 0 HD11 LEU A 50 -11.216 2.581 1.211 1.00 0.56 H new ATOM 0 HD12 LEU A 50 -11.472 0.905 1.754 1.00 0.56 H new ATOM 0 HD13 LEU A 50 -12.814 2.073 1.808 1.00 0.56 H new ATOM 0 HD21 LEU A 50 -11.109 4.416 2.826 1.00 0.72 H new ATOM 0 HD22 LEU A 50 -12.705 3.992 3.489 1.00 0.72 H new ATOM 0 HD23 LEU A 50 -11.294 4.104 4.568 1.00 0.72 H new ATOM 813 N GLU A 51 -13.154 1.274 7.669 1.00 0.76 N ATOM 814 CA GLU A 51 -13.900 0.455 8.609 1.00 0.79 C ATOM 815 C GLU A 51 -15.189 -0.040 7.965 1.00 0.76 C ATOM 816 O GLU A 51 -15.819 0.671 7.183 1.00 0.77 O ATOM 817 CB GLU A 51 -14.208 1.247 9.882 1.00 0.88 C ATOM 818 CG GLU A 51 -12.977 1.882 10.509 1.00 0.94 C ATOM 819 CD GLU A 51 -13.311 2.800 11.668 1.00 1.04 C ATOM 820 OE1 GLU A 51 -14.489 3.202 11.798 1.00 1.25 O ATOM 821 OE2 GLU A 51 -12.397 3.119 12.456 1.00 1.33 O ATOM 0 H GLU A 51 -13.287 2.278 7.789 1.00 0.76 H new ATOM 0 HA GLU A 51 -13.291 -0.407 8.880 1.00 0.79 H new ATOM 0 HB2 GLU A 51 -14.932 2.028 9.649 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -14.677 0.584 10.609 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -12.306 1.096 10.856 1.00 0.94 H new ATOM 0 HG3 GLU A 51 -12.439 2.447 9.748 1.00 0.94 H new ATOM 828 N ASP A 52 -15.584 -1.254 8.318 1.00 0.77 N ATOM 829 CA ASP A 52 -16.786 -1.877 7.766 1.00 0.77 C ATOM 830 C ASP A 52 -18.048 -1.140 8.200 1.00 0.82 C ATOM 831 O ASP A 52 -19.071 -1.191 7.517 1.00 0.81 O ATOM 832 CB ASP A 52 -16.866 -3.347 8.192 1.00 0.81 C ATOM 833 CG ASP A 52 -17.243 -3.522 9.651 1.00 1.32 C ATOM 834 OD1 ASP A 52 -16.604 -2.887 10.516 1.00 1.87 O ATOM 835 OD2 ASP A 52 -18.175 -4.303 9.940 1.00 1.66 O ATOM 0 H ASP A 52 -15.086 -1.836 8.992 1.00 0.77 H new ATOM 0 HA ASP A 52 -16.719 -1.820 6.680 1.00 0.77 H new ATOM 0 HB2 ASP A 52 -17.598 -3.861 7.569 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -15.903 -3.825 8.012 1.00 0.81 H new ATOM 840 N GLY A 53 -17.965 -0.437 9.318 1.00 0.93 N ATOM 841 CA GLY A 53 -19.109 0.304 9.820 1.00 1.01 C ATOM 842 C GLY A 53 -19.203 1.700 9.237 1.00 0.95 C ATOM 843 O GLY A 53 -19.848 2.575 9.814 1.00 1.04 O ATOM 0 H GLY A 53 -17.124 -0.364 9.891 1.00 0.93 H new ATOM 0 HA2 GLY A 53 -20.022 -0.244 9.588 1.00 1.01 H new ATOM 0 HA3 GLY A 53 -19.045 0.372 10.906 1.00 1.01 H new ATOM 847 N ARG A 54 -18.557 1.912 8.097 1.00 0.92 N ATOM 848 CA ARG A 54 -18.569 3.214 7.442 1.00 0.87 C ATOM 849 C ARG A 54 -18.936 3.083 5.970 1.00 0.83 C ATOM 850 O ARG A 54 -19.052 1.979 5.435 1.00 0.82 O ATOM 851 CB ARG A 54 -17.196 3.881 7.549 1.00 0.87 C ATOM 852 CG ARG A 54 -16.570 3.807 8.930 1.00 0.92 C ATOM 853 CD ARG A 54 -17.232 4.759 9.909 1.00 1.02 C ATOM 854 NE ARG A 54 -16.575 4.727 11.212 1.00 1.23 N ATOM 855 CZ ARG A 54 -16.964 5.436 12.265 1.00 1.64 C ATOM 856 NH1 ARG A 54 -18.029 6.226 12.186 1.00 1.89 N ATOM 857 NH2 ARG A 54 -16.289 5.353 13.404 1.00 1.95 N ATOM 0 H ARG A 54 -18.018 1.198 7.607 1.00 0.92 H new ATOM 0 HA ARG A 54 -19.317 3.826 7.946 1.00 0.87 H new ATOM 0 HB2 ARG A 54 -16.521 3.413 6.832 1.00 0.87 H new ATOM 0 HB3 ARG A 54 -17.291 4.928 7.262 1.00 0.87 H new ATOM 0 HG2 ARG A 54 -16.647 2.788 9.308 1.00 0.92 H new ATOM 0 HG3 ARG A 54 -15.508 4.041 8.859 1.00 0.92 H new ATOM 0 HD2 ARG A 54 -17.202 5.773 9.510 1.00 1.02 H new ATOM 0 HD3 ARG A 54 -18.283 4.493 10.023 1.00 1.02 H new ATOM 0 HE ARG A 54 -15.763 4.119 11.321 1.00 1.23 H new ATOM 0 HH11 ARG A 54 -18.553 6.290 11.313 1.00 1.89 H new ATOM 0 HH12 ARG A 54 -18.323 6.768 12.998 1.00 1.89 H new ATOM 0 HH21 ARG A 54 -15.473 4.745 13.470 1.00 1.95 H new ATOM 0 HH22 ARG A 54 -16.586 5.897 14.214 1.00 1.95 H new ATOM 871 N THR A 55 -19.120 4.226 5.329 1.00 0.84 N ATOM 872 CA THR A 55 -19.447 4.285 3.914 1.00 0.82 C ATOM 873 C THR A 55 -18.341 5.015 3.159 1.00 0.80 C ATOM 874 O THR A 55 -17.351 5.437 3.758 1.00 0.83 O ATOM 875 CB THR A 55 -20.782 5.023 3.679 1.00 0.89 C ATOM 876 OG1 THR A 55 -20.720 6.341 4.250 1.00 1.07 O ATOM 877 CG2 THR A 55 -21.949 4.256 4.284 1.00 0.85 C ATOM 0 H THR A 55 -19.047 5.140 5.776 1.00 0.84 H new ATOM 0 HA THR A 55 -19.542 3.262 3.550 1.00 0.82 H new ATOM 0 HB THR A 55 -20.942 5.097 2.603 1.00 0.89 H new ATOM 0 HG1 THR A 55 -20.639 6.272 5.224 1.00 1.07 H new ATOM 0 HG21 THR A 55 -22.876 4.801 4.102 1.00 0.85 H new ATOM 0 HG22 THR A 55 -22.012 3.269 3.826 1.00 0.85 H new ATOM 0 HG23 THR A 55 -21.796 4.148 5.358 1.00 0.85 H new ATOM 885 N LEU A 56 -18.506 5.172 1.853 1.00 0.78 N ATOM 886 CA LEU A 56 -17.516 5.875 1.045 1.00 0.77 C ATOM 887 C LEU A 56 -17.570 7.371 1.345 1.00 0.83 C ATOM 888 O LEU A 56 -16.556 8.073 1.312 1.00 0.88 O ATOM 889 CB LEU A 56 -17.772 5.624 -0.439 1.00 0.77 C ATOM 890 CG LEU A 56 -17.742 4.151 -0.857 1.00 0.73 C ATOM 891 CD1 LEU A 56 -18.752 3.886 -1.958 1.00 0.91 C ATOM 892 CD2 LEU A 56 -16.346 3.751 -1.310 1.00 1.12 C ATOM 0 H LEU A 56 -19.311 4.825 1.331 1.00 0.78 H new ATOM 0 HA LEU A 56 -16.523 5.500 1.294 1.00 0.77 H new ATOM 0 HB2 LEU A 56 -18.744 6.041 -0.701 1.00 0.77 H new ATOM 0 HB3 LEU A 56 -17.025 6.167 -1.019 1.00 0.77 H new ATOM 0 HG LEU A 56 -18.010 3.546 0.009 1.00 0.73 H new ATOM 0 HD11 LEU A 56 -18.715 2.834 -2.240 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -19.752 4.130 -1.601 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -18.516 4.503 -2.825 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -16.345 2.701 -1.603 1.00 1.12 H new ATOM 0 HD22 LEU A 56 -16.050 4.365 -2.160 1.00 1.12 H new ATOM 0 HD23 LEU A 56 -15.641 3.900 -0.492 1.00 1.12 H new ATOM 904 N SER A 57 -18.767 7.837 1.673 1.00 0.84 N ATOM 905 CA SER A 57 -19.002 9.237 1.988 1.00 0.90 C ATOM 906 C SER A 57 -18.404 9.604 3.348 1.00 0.95 C ATOM 907 O SER A 57 -18.093 10.768 3.606 1.00 1.03 O ATOM 908 CB SER A 57 -20.509 9.499 1.977 1.00 0.93 C ATOM 909 OG SER A 57 -21.174 8.530 1.176 1.00 1.15 O ATOM 0 H SER A 57 -19.602 7.254 1.728 1.00 0.84 H new ATOM 0 HA SER A 57 -18.514 9.859 1.238 1.00 0.90 H new ATOM 0 HB2 SER A 57 -20.898 9.468 2.995 1.00 0.93 H new ATOM 0 HB3 SER A 57 -20.708 10.499 1.590 1.00 0.93 H new ATOM 0 HG SER A 57 -22.138 8.709 1.179 1.00 1.15 H new ATOM 915 N ASP A 58 -18.223 8.595 4.202 1.00 0.93 N ATOM 916 CA ASP A 58 -17.668 8.790 5.544 1.00 0.99 C ATOM 917 C ASP A 58 -16.284 9.418 5.493 1.00 0.99 C ATOM 918 O ASP A 58 -15.968 10.311 6.273 1.00 1.06 O ATOM 919 CB ASP A 58 -17.564 7.451 6.283 1.00 1.04 C ATOM 920 CG ASP A 58 -18.757 7.161 7.167 1.00 1.27 C ATOM 921 OD1 ASP A 58 -18.772 7.625 8.322 1.00 1.45 O ATOM 922 OD2 ASP A 58 -19.675 6.449 6.710 1.00 1.93 O ATOM 0 H ASP A 58 -18.455 7.626 3.986 1.00 0.93 H new ATOM 0 HA ASP A 58 -18.345 9.461 6.072 1.00 0.99 H new ATOM 0 HB2 ASP A 58 -17.458 6.648 5.553 1.00 1.04 H new ATOM 0 HB3 ASP A 58 -16.660 7.449 6.892 1.00 1.04 H new ATOM 927 N TYR A 59 -15.469 8.949 4.563 1.00 0.95 N ATOM 928 CA TYR A 59 -14.107 9.445 4.424 1.00 0.97 C ATOM 929 C TYR A 59 -14.009 10.497 3.329 1.00 1.00 C ATOM 930 O TYR A 59 -12.912 10.940 2.986 1.00 1.06 O ATOM 931 CB TYR A 59 -13.158 8.282 4.120 1.00 0.94 C ATOM 932 CG TYR A 59 -13.210 7.175 5.148 1.00 0.89 C ATOM 933 CD1 TYR A 59 -12.393 7.211 6.269 1.00 0.91 C ATOM 934 CD2 TYR A 59 -14.075 6.100 4.997 1.00 0.87 C ATOM 935 CE1 TYR A 59 -12.437 6.205 7.213 1.00 0.91 C ATOM 936 CE2 TYR A 59 -14.126 5.089 5.936 1.00 0.88 C ATOM 937 CZ TYR A 59 -13.305 5.146 7.041 1.00 0.88 C ATOM 938 OH TYR A 59 -13.353 4.145 7.984 1.00 0.93 O ATOM 0 H TYR A 59 -15.726 8.225 3.892 1.00 0.95 H new ATOM 0 HA TYR A 59 -13.819 9.913 5.366 1.00 0.97 H new ATOM 0 HB2 TYR A 59 -13.404 7.870 3.141 1.00 0.94 H new ATOM 0 HB3 TYR A 59 -12.138 8.662 4.059 1.00 0.94 H new ATOM 0 HD1 TYR A 59 -11.712 8.039 6.405 1.00 0.91 H new ATOM 0 HD2 TYR A 59 -14.719 6.054 4.131 1.00 0.87 H new ATOM 0 HE1 TYR A 59 -11.796 6.246 8.081 1.00 0.91 H new ATOM 0 HE2 TYR A 59 -14.805 4.259 5.805 1.00 0.88 H new ATOM 0 HH TYR A 59 -13.128 4.513 8.864 1.00 0.93 H new ATOM 948 N ASN A 60 -15.165 10.894 2.793 1.00 0.98 N ATOM 949 CA ASN A 60 -15.229 11.890 1.720 1.00 1.03 C ATOM 950 C ASN A 60 -14.358 11.451 0.547 1.00 1.00 C ATOM 951 O ASN A 60 -13.582 12.234 -0.001 1.00 1.07 O ATOM 952 CB ASN A 60 -14.786 13.271 2.224 1.00 1.14 C ATOM 953 CG ASN A 60 -15.505 14.406 1.518 1.00 1.17 C ATOM 954 OD1 ASN A 60 -15.100 14.845 0.443 1.00 1.43 O ATOM 955 ND2 ASN A 60 -16.579 14.892 2.121 1.00 1.27 N ATOM 0 H ASN A 60 -16.075 10.539 3.086 1.00 0.98 H new ATOM 0 HA ASN A 60 -16.264 11.968 1.386 1.00 1.03 H new ATOM 0 HB2 ASN A 60 -14.971 13.339 3.296 1.00 1.14 H new ATOM 0 HB3 ASN A 60 -13.711 13.380 2.078 1.00 1.14 H new ATOM 0 HD21 ASN A 60 -17.101 15.657 1.694 1.00 1.27 H new ATOM 0 HD22 ASN A 60 -16.884 14.501 3.012 1.00 1.27 H new ATOM 962 N ILE A 61 -14.488 10.185 0.179 1.00 0.92 N ATOM 963 CA ILE A 61 -13.713 9.619 -0.913 1.00 0.90 C ATOM 964 C ILE A 61 -14.063 10.290 -2.236 1.00 0.96 C ATOM 965 O ILE A 61 -15.232 10.353 -2.625 1.00 1.00 O ATOM 966 CB ILE A 61 -13.947 8.094 -1.025 1.00 0.82 C ATOM 967 CG1 ILE A 61 -13.529 7.403 0.277 1.00 0.81 C ATOM 968 CG2 ILE A 61 -13.187 7.511 -2.210 1.00 0.83 C ATOM 969 CD1 ILE A 61 -13.701 5.896 0.263 1.00 0.77 C ATOM 0 H ILE A 61 -15.128 9.527 0.625 1.00 0.92 H new ATOM 0 HA ILE A 61 -12.660 9.799 -0.695 1.00 0.90 H new ATOM 0 HB ILE A 61 -15.010 7.919 -1.191 1.00 0.82 H new ATOM 0 HG12 ILE A 61 -12.484 7.636 0.480 1.00 0.81 H new ATOM 0 HG13 ILE A 61 -14.113 7.817 1.099 1.00 0.81 H new ATOM 0 HG21 ILE A 61 -13.368 6.438 -2.266 1.00 0.83 H new ATOM 0 HG22 ILE A 61 -13.528 7.985 -3.130 1.00 0.83 H new ATOM 0 HG23 ILE A 61 -12.120 7.692 -2.083 1.00 0.83 H new ATOM 0 HD11 ILE A 61 -13.383 5.485 1.221 1.00 0.77 H new ATOM 0 HD12 ILE A 61 -14.749 5.651 0.093 1.00 0.77 H new ATOM 0 HD13 ILE A 61 -13.095 5.468 -0.535 1.00 0.77 H new ATOM 981 N GLN A 62 -13.051 10.811 -2.913 1.00 1.01 N ATOM 982 CA GLN A 62 -13.252 11.466 -4.191 1.00 1.09 C ATOM 983 C GLN A 62 -13.458 10.432 -5.286 1.00 1.01 C ATOM 984 O GLN A 62 -12.907 9.334 -5.224 1.00 0.95 O ATOM 985 CB GLN A 62 -12.062 12.363 -4.527 1.00 1.21 C ATOM 986 CG GLN A 62 -12.237 13.800 -4.068 1.00 1.47 C ATOM 987 CD GLN A 62 -13.445 14.461 -4.697 1.00 1.79 C ATOM 988 OE1 GLN A 62 -14.554 14.397 -4.161 1.00 2.18 O ATOM 989 NE2 GLN A 62 -13.241 15.096 -5.842 1.00 2.18 N ATOM 0 H GLN A 62 -12.082 10.791 -2.596 1.00 1.01 H new ATOM 0 HA GLN A 62 -14.145 12.088 -4.124 1.00 1.09 H new ATOM 0 HB2 GLN A 62 -11.165 11.950 -4.067 1.00 1.21 H new ATOM 0 HB3 GLN A 62 -11.902 12.351 -5.605 1.00 1.21 H new ATOM 0 HG2 GLN A 62 -12.337 13.823 -2.983 1.00 1.47 H new ATOM 0 HG3 GLN A 62 -11.342 14.370 -4.318 1.00 1.47 H new ATOM 0 HE21 GLN A 62 -12.307 15.124 -6.250 1.00 2.18 H new ATOM 0 HE22 GLN A 62 -14.018 15.557 -6.315 1.00 2.18 H new ATOM 998 N LYS A 63 -14.258 10.779 -6.281 1.00 1.04 N ATOM 999 CA LYS A 63 -14.530 9.870 -7.385 1.00 1.05 C ATOM 1000 C LYS A 63 -13.267 9.611 -8.203 1.00 0.99 C ATOM 1001 O LYS A 63 -12.503 10.536 -8.486 1.00 1.00 O ATOM 1002 CB LYS A 63 -15.636 10.433 -8.282 1.00 1.19 C ATOM 1003 CG LYS A 63 -15.504 11.919 -8.581 1.00 1.25 C ATOM 1004 CD LYS A 63 -16.234 12.289 -9.862 1.00 1.54 C ATOM 1005 CE LYS A 63 -16.288 13.793 -10.065 1.00 1.61 C ATOM 1006 NZ LYS A 63 -16.749 14.149 -11.432 1.00 2.42 N ATOM 0 H LYS A 63 -14.730 11.681 -6.348 1.00 1.04 H new ATOM 0 HA LYS A 63 -14.866 8.922 -6.966 1.00 1.05 H new ATOM 0 HB2 LYS A 63 -15.639 9.884 -9.223 1.00 1.19 H new ATOM 0 HB3 LYS A 63 -16.600 10.254 -7.806 1.00 1.19 H new ATOM 0 HG2 LYS A 63 -15.907 12.497 -7.750 1.00 1.25 H new ATOM 0 HG3 LYS A 63 -14.450 12.182 -8.671 1.00 1.25 H new ATOM 0 HD2 LYS A 63 -15.734 11.825 -10.712 1.00 1.54 H new ATOM 0 HD3 LYS A 63 -17.248 11.890 -9.831 1.00 1.54 H new ATOM 0 HE2 LYS A 63 -16.959 14.235 -9.328 1.00 1.61 H new ATOM 0 HE3 LYS A 63 -15.300 14.219 -9.892 1.00 1.61 H new ATOM 0 HZ1 LYS A 63 -16.773 15.184 -11.532 1.00 2.42 H new ATOM 0 HZ2 LYS A 63 -16.095 13.748 -12.134 1.00 2.42 H new ATOM 0 HZ3 LYS A 63 -17.703 13.764 -11.588 1.00 2.42 H new ATOM 1020 N GLU A 64 -13.059 8.342 -8.561 1.00 1.01 N ATOM 1021 CA GLU A 64 -11.901 7.918 -9.350 1.00 1.02 C ATOM 1022 C GLU A 64 -10.603 8.080 -8.565 1.00 0.93 C ATOM 1023 O GLU A 64 -9.561 8.428 -9.126 1.00 1.02 O ATOM 1024 CB GLU A 64 -11.827 8.687 -10.673 1.00 1.16 C ATOM 1025 CG GLU A 64 -13.022 8.438 -11.574 1.00 1.41 C ATOM 1026 CD GLU A 64 -13.116 9.446 -12.698 1.00 1.38 C ATOM 1027 OE1 GLU A 64 -12.511 9.213 -13.763 1.00 2.13 O ATOM 1028 OE2 GLU A 64 -13.798 10.476 -12.520 1.00 1.50 O ATOM 0 H GLU A 64 -13.689 7.579 -8.312 1.00 1.01 H new ATOM 0 HA GLU A 64 -12.029 6.859 -9.574 1.00 1.02 H new ATOM 0 HB2 GLU A 64 -11.754 9.754 -10.463 1.00 1.16 H new ATOM 0 HB3 GLU A 64 -10.916 8.403 -11.201 1.00 1.16 H new ATOM 0 HG2 GLU A 64 -12.954 7.435 -11.994 1.00 1.41 H new ATOM 0 HG3 GLU A 64 -13.935 8.474 -10.980 1.00 1.41 H new ATOM 1035 N SER A 65 -10.668 7.818 -7.269 1.00 0.88 N ATOM 1036 CA SER A 65 -9.501 7.916 -6.412 1.00 0.92 C ATOM 1037 C SER A 65 -8.726 6.607 -6.445 1.00 0.80 C ATOM 1038 O SER A 65 -9.230 5.591 -6.932 1.00 0.74 O ATOM 1039 CB SER A 65 -9.924 8.242 -4.981 1.00 1.08 C ATOM 1040 OG SER A 65 -11.088 7.518 -4.633 1.00 1.07 O ATOM 0 H SER A 65 -11.521 7.535 -6.788 1.00 0.88 H new ATOM 0 HA SER A 65 -8.859 8.718 -6.776 1.00 0.92 H new ATOM 0 HB2 SER A 65 -9.116 7.997 -4.292 1.00 1.08 H new ATOM 0 HB3 SER A 65 -10.111 9.312 -4.885 1.00 1.08 H new ATOM 0 HG SER A 65 -11.834 8.140 -4.504 1.00 1.07 H new ATOM 1046 N THR A 66 -7.504 6.636 -5.939 1.00 0.82 N ATOM 1047 CA THR A 66 -6.663 5.457 -5.909 1.00 0.77 C ATOM 1048 C THR A 66 -6.527 4.918 -4.486 1.00 0.67 C ATOM 1049 O THR A 66 -5.803 5.475 -3.659 1.00 0.72 O ATOM 1050 CB THR A 66 -5.277 5.767 -6.495 1.00 0.95 C ATOM 1051 OG1 THR A 66 -5.155 7.181 -6.723 1.00 1.11 O ATOM 1052 CG2 THR A 66 -5.071 5.029 -7.809 1.00 1.37 C ATOM 0 H THR A 66 -7.073 7.471 -5.542 1.00 0.82 H new ATOM 0 HA THR A 66 -7.138 4.690 -6.521 1.00 0.77 H new ATOM 0 HB THR A 66 -4.520 5.438 -5.783 1.00 0.95 H new ATOM 0 HG1 THR A 66 -4.270 7.377 -7.095 1.00 1.11 H new ATOM 0 HG21 THR A 66 -4.083 5.263 -8.207 1.00 1.37 H new ATOM 0 HG22 THR A 66 -5.149 3.955 -7.639 1.00 1.37 H new ATOM 0 HG23 THR A 66 -5.833 5.340 -8.524 1.00 1.37 H new ATOM 1060 N LEU A 67 -7.236 3.833 -4.209 1.00 0.60 N ATOM 1061 CA LEU A 67 -7.212 3.218 -2.887 1.00 0.54 C ATOM 1062 C LEU A 67 -6.014 2.286 -2.747 1.00 0.48 C ATOM 1063 O LEU A 67 -5.416 1.869 -3.739 1.00 0.51 O ATOM 1064 CB LEU A 67 -8.511 2.444 -2.630 1.00 0.53 C ATOM 1065 CG LEU A 67 -9.658 3.252 -2.012 1.00 0.60 C ATOM 1066 CD1 LEU A 67 -10.141 4.329 -2.969 1.00 0.73 C ATOM 1067 CD2 LEU A 67 -10.804 2.331 -1.628 1.00 0.77 C ATOM 0 H LEU A 67 -7.837 3.359 -4.883 1.00 0.60 H new ATOM 0 HA LEU A 67 -7.123 4.013 -2.146 1.00 0.54 H new ATOM 0 HB2 LEU A 67 -8.855 2.025 -3.576 1.00 0.53 H new ATOM 0 HB3 LEU A 67 -8.287 1.604 -1.972 1.00 0.53 H new ATOM 0 HG LEU A 67 -9.285 3.741 -1.112 1.00 0.60 H new ATOM 0 HD11 LEU A 67 -10.955 4.888 -2.507 1.00 0.73 H new ATOM 0 HD12 LEU A 67 -9.319 5.007 -3.198 1.00 0.73 H new ATOM 0 HD13 LEU A 67 -10.496 3.865 -3.889 1.00 0.73 H new ATOM 0 HD21 LEU A 67 -11.612 2.918 -1.190 1.00 0.77 H new ATOM 0 HD22 LEU A 67 -11.170 1.816 -2.516 1.00 0.77 H new ATOM 0 HD23 LEU A 67 -10.454 1.598 -0.902 1.00 0.77 H new ATOM 1079 N HIS A 68 -5.661 1.969 -1.510 1.00 0.49 N ATOM 1080 CA HIS A 68 -4.537 1.079 -1.234 1.00 0.49 C ATOM 1081 C HIS A 68 -5.041 -0.254 -0.703 1.00 0.46 C ATOM 1082 O HIS A 68 -5.719 -0.296 0.325 1.00 0.50 O ATOM 1083 CB HIS A 68 -3.588 1.712 -0.212 1.00 0.61 C ATOM 1084 CG HIS A 68 -2.827 2.894 -0.727 1.00 1.03 C ATOM 1085 ND1 HIS A 68 -1.453 2.940 -0.769 1.00 1.45 N ATOM 1086 CD2 HIS A 68 -3.254 4.085 -1.215 1.00 1.62 C ATOM 1087 CE1 HIS A 68 -1.066 4.103 -1.257 1.00 2.01 C ATOM 1088 NE2 HIS A 68 -2.142 4.815 -1.539 1.00 2.11 N ATOM 0 H HIS A 68 -6.137 2.315 -0.677 1.00 0.49 H new ATOM 0 HA HIS A 68 -3.995 0.914 -2.165 1.00 0.49 H new ATOM 0 HB2 HIS A 68 -4.165 2.018 0.661 1.00 0.61 H new ATOM 0 HB3 HIS A 68 -2.878 0.956 0.124 1.00 0.61 H new ATOM 0 HD1 HIS A 68 -0.829 2.191 -0.469 1.00 1.45 H new ATOM 0 HD2 HIS A 68 -4.281 4.399 -1.327 1.00 1.62 H new ATOM 0 HE1 HIS A 68 -0.043 4.419 -1.401 1.00 2.01 H new ATOM 1097 N LEU A 69 -4.716 -1.333 -1.400 1.00 0.44 N ATOM 1098 CA LEU A 69 -5.148 -2.664 -0.996 1.00 0.44 C ATOM 1099 C LEU A 69 -3.974 -3.497 -0.491 1.00 0.49 C ATOM 1100 O LEU A 69 -3.049 -3.819 -1.243 1.00 0.52 O ATOM 1101 CB LEU A 69 -5.836 -3.371 -2.168 1.00 0.48 C ATOM 1102 CG LEU A 69 -6.069 -4.874 -2.001 1.00 0.57 C ATOM 1103 CD1 LEU A 69 -6.900 -5.160 -0.760 1.00 0.57 C ATOM 1104 CD2 LEU A 69 -6.752 -5.441 -3.235 1.00 0.64 C ATOM 0 H LEU A 69 -4.153 -1.313 -2.250 1.00 0.44 H new ATOM 0 HA LEU A 69 -5.859 -2.556 -0.177 1.00 0.44 H new ATOM 0 HB2 LEU A 69 -6.799 -2.891 -2.341 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.236 -3.214 -3.064 1.00 0.48 H new ATOM 0 HG LEU A 69 -5.100 -5.358 -1.881 1.00 0.57 H new ATOM 0 HD11 LEU A 69 -7.052 -6.235 -0.664 1.00 0.57 H new ATOM 0 HD12 LEU A 69 -6.378 -4.787 0.121 1.00 0.57 H new ATOM 0 HD13 LEU A 69 -7.866 -4.664 -0.847 1.00 0.57 H new ATOM 0 HD21 LEU A 69 -6.912 -6.511 -3.103 1.00 0.64 H new ATOM 0 HD22 LEU A 69 -7.712 -4.946 -3.379 1.00 0.64 H new ATOM 0 HD23 LEU A 69 -6.122 -5.273 -4.109 1.00 0.64 H new ATOM 1116 N VAL A 70 -4.024 -3.837 0.787 1.00 0.56 N ATOM 1117 CA VAL A 70 -2.992 -4.644 1.410 1.00 0.66 C ATOM 1118 C VAL A 70 -3.621 -5.817 2.149 1.00 0.74 C ATOM 1119 O VAL A 70 -4.848 -5.927 2.228 1.00 0.92 O ATOM 1120 CB VAL A 70 -2.116 -3.822 2.383 1.00 0.71 C ATOM 1121 CG1 VAL A 70 -1.093 -2.997 1.617 1.00 0.99 C ATOM 1122 CG2 VAL A 70 -2.974 -2.924 3.260 1.00 0.97 C ATOM 0 H VAL A 70 -4.778 -3.562 1.417 1.00 0.56 H new ATOM 0 HA VAL A 70 -2.344 -5.013 0.614 1.00 0.66 H new ATOM 0 HB VAL A 70 -1.584 -4.520 3.029 1.00 0.71 H new ATOM 0 HG11 VAL A 70 -0.486 -2.426 2.320 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -0.450 -3.660 1.039 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -1.608 -2.313 0.943 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -2.334 -2.356 3.936 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -3.540 -2.236 2.632 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -3.664 -3.535 3.842 1.00 0.97 H new ATOM 1132 N LEU A 71 -2.785 -6.689 2.687 1.00 0.77 N ATOM 1133 CA LEU A 71 -3.265 -7.862 3.401 1.00 0.87 C ATOM 1134 C LEU A 71 -3.194 -7.656 4.913 1.00 0.90 C ATOM 1135 O LEU A 71 -3.042 -6.533 5.394 1.00 1.01 O ATOM 1136 CB LEU A 71 -2.449 -9.092 2.995 1.00 0.95 C ATOM 1137 CG LEU A 71 -2.709 -9.610 1.579 1.00 1.05 C ATOM 1138 CD1 LEU A 71 -1.672 -10.654 1.198 1.00 1.26 C ATOM 1139 CD2 LEU A 71 -4.115 -10.186 1.475 1.00 1.52 C ATOM 0 H LEU A 71 -1.769 -6.607 2.643 1.00 0.77 H new ATOM 0 HA LEU A 71 -4.310 -8.020 3.133 1.00 0.87 H new ATOM 0 HB2 LEU A 71 -1.390 -8.852 3.088 1.00 0.95 H new ATOM 0 HB3 LEU A 71 -2.657 -9.895 3.702 1.00 0.95 H new ATOM 0 HG LEU A 71 -2.627 -8.776 0.882 1.00 1.05 H new ATOM 0 HD11 LEU A 71 -1.871 -11.013 0.188 1.00 1.26 H new ATOM 0 HD12 LEU A 71 -0.677 -10.210 1.236 1.00 1.26 H new ATOM 0 HD13 LEU A 71 -1.723 -11.489 1.896 1.00 1.26 H new ATOM 0 HD21 LEU A 71 -4.285 -10.550 0.462 1.00 1.52 H new ATOM 0 HD22 LEU A 71 -4.224 -11.010 2.180 1.00 1.52 H new ATOM 0 HD23 LEU A 71 -4.844 -9.410 1.709 1.00 1.52 H new ATOM 1151 N ARG A 72 -3.319 -8.750 5.653 1.00 0.98 N ATOM 1152 CA ARG A 72 -3.264 -8.716 7.108 1.00 1.06 C ATOM 1153 C ARG A 72 -1.827 -8.522 7.591 1.00 0.98 C ATOM 1154 O ARG A 72 -0.875 -8.778 6.854 1.00 0.98 O ATOM 1155 CB ARG A 72 -3.815 -10.028 7.674 1.00 1.26 C ATOM 1156 CG ARG A 72 -3.030 -11.247 7.213 1.00 1.27 C ATOM 1157 CD ARG A 72 -3.175 -12.417 8.170 1.00 1.51 C ATOM 1158 NE ARG A 72 -1.951 -13.215 8.228 1.00 1.92 N ATOM 1159 CZ ARG A 72 -1.906 -14.495 8.590 1.00 2.21 C ATOM 1160 NH1 ARG A 72 -3.022 -15.141 8.904 1.00 2.37 N ATOM 1161 NH2 ARG A 72 -0.742 -15.132 8.630 1.00 2.72 N ATOM 0 H ARG A 72 -3.461 -9.682 5.263 1.00 0.98 H new ATOM 0 HA ARG A 72 -3.868 -7.878 7.457 1.00 1.06 H new ATOM 0 HB2 ARG A 72 -3.800 -9.983 8.763 1.00 1.26 H new ATOM 0 HB3 ARG A 72 -4.857 -10.138 7.374 1.00 1.26 H new ATOM 0 HG2 ARG A 72 -3.373 -11.545 6.222 1.00 1.27 H new ATOM 0 HG3 ARG A 72 -1.976 -10.985 7.119 1.00 1.27 H new ATOM 0 HD2 ARG A 72 -3.417 -12.046 9.166 1.00 1.51 H new ATOM 0 HD3 ARG A 72 -4.007 -13.047 7.854 1.00 1.51 H new ATOM 0 HE ARG A 72 -1.074 -12.761 7.974 1.00 1.92 H new ATOM 0 HH11 ARG A 72 -3.919 -14.657 8.868 1.00 2.37 H new ATOM 0 HH12 ARG A 72 -2.983 -16.122 9.181 1.00 2.37 H new ATOM 0 HH21 ARG A 72 0.117 -14.640 8.383 1.00 2.72 H new ATOM 0 HH22 ARG A 72 -0.707 -16.113 8.907 1.00 2.72 H new ATOM 1175 N LEU A 73 -1.674 -8.061 8.823 1.00 1.04 N ATOM 1176 CA LEU A 73 -0.352 -7.865 9.396 1.00 1.05 C ATOM 1177 C LEU A 73 -0.051 -8.997 10.370 1.00 1.17 C ATOM 1178 O LEU A 73 1.084 -9.460 10.476 1.00 1.27 O ATOM 1179 CB LEU A 73 -0.257 -6.508 10.104 1.00 1.16 C ATOM 1180 CG LEU A 73 1.064 -6.224 10.830 1.00 1.25 C ATOM 1181 CD1 LEU A 73 2.229 -6.231 9.852 1.00 1.23 C ATOM 1182 CD2 LEU A 73 0.992 -4.888 11.555 1.00 1.44 C ATOM 0 H LEU A 73 -2.446 -7.816 9.443 1.00 1.04 H new ATOM 0 HA LEU A 73 0.385 -7.873 8.593 1.00 1.05 H new ATOM 0 HB2 LEU A 73 -0.420 -5.722 9.366 1.00 1.16 H new ATOM 0 HB3 LEU A 73 -1.069 -6.439 10.828 1.00 1.16 H new ATOM 0 HG LEU A 73 1.228 -7.013 11.564 1.00 1.25 H new ATOM 0 HD11 LEU A 73 3.156 -6.027 10.389 1.00 1.23 H new ATOM 0 HD12 LEU A 73 2.295 -7.207 9.372 1.00 1.23 H new ATOM 0 HD13 LEU A 73 2.072 -5.463 9.094 1.00 1.23 H new ATOM 0 HD21 LEU A 73 1.936 -4.700 12.066 1.00 1.44 H new ATOM 0 HD22 LEU A 73 0.805 -4.092 10.834 1.00 1.44 H new ATOM 0 HD23 LEU A 73 0.183 -4.914 12.285 1.00 1.44 H new ATOM 1194 N ARG A 74 -1.089 -9.448 11.062 1.00 1.29 N ATOM 1195 CA ARG A 74 -0.968 -10.528 12.029 1.00 1.48 C ATOM 1196 C ARG A 74 -2.132 -11.498 11.855 1.00 1.52 C ATOM 1197 O ARG A 74 -3.140 -11.154 11.234 1.00 1.42 O ATOM 1198 CB ARG A 74 -0.938 -9.966 13.457 1.00 1.65 C ATOM 1199 CG ARG A 74 0.203 -8.989 13.691 1.00 1.66 C ATOM 1200 CD ARG A 74 0.144 -8.349 15.069 1.00 1.87 C ATOM 1201 NE ARG A 74 0.883 -7.087 15.105 1.00 2.02 N ATOM 1202 CZ ARG A 74 2.114 -6.953 15.608 1.00 2.49 C ATOM 1203 NH1 ARG A 74 2.743 -8.001 16.121 1.00 3.05 N ATOM 1204 NH2 ARG A 74 2.719 -5.768 15.591 1.00 2.67 N ATOM 0 H ARG A 74 -2.034 -9.076 10.969 1.00 1.29 H new ATOM 0 HA ARG A 74 -0.033 -11.062 11.858 1.00 1.48 H new ATOM 0 HB2 ARG A 74 -1.884 -9.466 13.664 1.00 1.65 H new ATOM 0 HB3 ARG A 74 -0.852 -10.791 14.164 1.00 1.65 H new ATOM 0 HG2 ARG A 74 1.153 -9.510 13.576 1.00 1.66 H new ATOM 0 HG3 ARG A 74 0.172 -8.210 12.930 1.00 1.66 H new ATOM 0 HD2 ARG A 74 -0.895 -8.171 15.345 1.00 1.87 H new ATOM 0 HD3 ARG A 74 0.557 -9.035 15.808 1.00 1.87 H new ATOM 0 HE ARG A 74 0.430 -6.257 14.722 1.00 2.02 H new ATOM 0 HH11 ARG A 74 2.288 -8.914 16.133 1.00 3.05 H new ATOM 0 HH12 ARG A 74 3.682 -7.895 16.504 1.00 3.05 H new ATOM 0 HH21 ARG A 74 2.243 -4.958 15.193 1.00 2.67 H new ATOM 0 HH22 ARG A 74 3.658 -5.669 15.976 1.00 2.67 H new ATOM 1319 N GLY B 55 19.804 -1.581 -10.286 1.00 1.77 N ATOM 1320 CA GLY B 55 18.891 -0.521 -10.625 1.00 1.76 C ATOM 1321 C GLY B 55 19.187 0.729 -9.837 1.00 1.40 C ATOM 1322 O GLY B 55 19.367 0.676 -8.624 1.00 1.29 O ATOM 0 HA2 GLY B 55 18.960 -0.306 -11.691 1.00 1.76 H new ATOM 0 HA3 GLY B 55 17.868 -0.843 -10.430 1.00 1.76 H new ATOM 1326 N LYS B 56 19.285 1.852 -10.526 1.00 1.43 N ATOM 1327 CA LYS B 56 19.553 3.122 -9.873 1.00 1.15 C ATOM 1328 C LYS B 56 18.481 4.128 -10.250 1.00 1.13 C ATOM 1329 O LYS B 56 18.483 4.670 -11.357 1.00 1.19 O ATOM 1330 CB LYS B 56 20.945 3.650 -10.242 1.00 1.16 C ATOM 1331 CG LYS B 56 22.083 2.833 -9.647 1.00 1.14 C ATOM 1332 CD LYS B 56 22.130 2.949 -8.128 1.00 1.03 C ATOM 1333 CE LYS B 56 22.350 1.592 -7.478 1.00 1.13 C ATOM 1334 NZ LYS B 56 22.501 1.691 -6.005 1.00 1.04 N ATOM 0 H LYS B 56 19.183 1.911 -11.539 1.00 1.43 H new ATOM 0 HA LYS B 56 19.534 2.969 -8.794 1.00 1.15 H new ATOM 0 HB2 LYS B 56 21.045 3.660 -11.327 1.00 1.16 H new ATOM 0 HB3 LYS B 56 21.034 4.682 -9.904 1.00 1.16 H new ATOM 0 HG2 LYS B 56 21.965 1.787 -9.928 1.00 1.14 H new ATOM 0 HG3 LYS B 56 23.031 3.170 -10.067 1.00 1.14 H new ATOM 0 HD2 LYS B 56 22.931 3.628 -7.837 1.00 1.03 H new ATOM 0 HD3 LYS B 56 21.198 3.382 -7.765 1.00 1.03 H new ATOM 0 HE2 LYS B 56 21.509 0.939 -7.712 1.00 1.13 H new ATOM 0 HE3 LYS B 56 23.241 1.129 -7.902 1.00 1.13 H new ATOM 0 HZ1 LYS B 56 22.344 0.757 -5.576 1.00 1.04 H new ATOM 0 HZ2 LYS B 56 23.461 2.020 -5.776 1.00 1.04 H new ATOM 0 HZ3 LYS B 56 21.805 2.366 -5.629 1.00 1.04 H new ATOM 1348 N VAL B 57 17.559 4.356 -9.332 1.00 1.12 N ATOM 1349 CA VAL B 57 16.471 5.288 -9.571 1.00 1.13 C ATOM 1350 C VAL B 57 16.738 6.609 -8.867 1.00 1.07 C ATOM 1351 O VAL B 57 17.033 6.643 -7.671 1.00 0.99 O ATOM 1352 CB VAL B 57 15.115 4.727 -9.096 1.00 1.11 C ATOM 1353 CG1 VAL B 57 13.969 5.530 -9.690 1.00 1.23 C ATOM 1354 CG2 VAL B 57 14.982 3.254 -9.456 1.00 1.15 C ATOM 0 H VAL B 57 17.541 3.909 -8.415 1.00 1.12 H new ATOM 0 HA VAL B 57 16.419 5.445 -10.648 1.00 1.13 H new ATOM 0 HB VAL B 57 15.071 4.815 -8.010 1.00 1.11 H new ATOM 0 HG11 VAL B 57 13.020 5.120 -9.344 1.00 1.23 H new ATOM 0 HG12 VAL B 57 14.052 6.570 -9.375 1.00 1.23 H new ATOM 0 HG13 VAL B 57 14.013 5.476 -10.778 1.00 1.23 H new ATOM 0 HG21 VAL B 57 14.018 2.881 -9.111 1.00 1.15 H new ATOM 0 HG22 VAL B 57 15.051 3.136 -10.537 1.00 1.15 H new ATOM 0 HG23 VAL B 57 15.782 2.689 -8.978 1.00 1.15 H new ATOM 1364 N LEU B 58 16.645 7.687 -9.622 1.00 1.14 N ATOM 1365 CA LEU B 58 16.860 9.019 -9.093 1.00 1.13 C ATOM 1366 C LEU B 58 15.553 9.564 -8.531 1.00 1.12 C ATOM 1367 O LEU B 58 14.683 10.011 -9.281 1.00 1.20 O ATOM 1368 CB LEU B 58 17.389 9.941 -10.194 1.00 1.28 C ATOM 1369 CG LEU B 58 17.619 11.393 -9.778 1.00 1.36 C ATOM 1370 CD1 LEU B 58 18.934 11.536 -9.033 1.00 1.29 C ATOM 1371 CD2 LEU B 58 17.589 12.305 -10.997 1.00 1.76 C ATOM 0 H LEU B 58 16.419 7.664 -10.616 1.00 1.14 H new ATOM 0 HA LEU B 58 17.599 8.973 -8.293 1.00 1.13 H new ATOM 0 HB2 LEU B 58 18.330 9.534 -10.565 1.00 1.28 H new ATOM 0 HB3 LEU B 58 16.685 9.926 -11.026 1.00 1.28 H new ATOM 0 HG LEU B 58 16.815 11.690 -9.105 1.00 1.36 H new ATOM 0 HD11 LEU B 58 19.078 12.578 -8.746 1.00 1.29 H new ATOM 0 HD12 LEU B 58 18.915 10.912 -8.139 1.00 1.29 H new ATOM 0 HD13 LEU B 58 19.754 11.221 -9.678 1.00 1.29 H new ATOM 0 HD21 LEU B 58 17.754 13.336 -10.684 1.00 1.76 H new ATOM 0 HD22 LEU B 58 18.373 12.007 -11.694 1.00 1.76 H new ATOM 0 HD23 LEU B 58 16.619 12.226 -11.487 1.00 1.76 H new ATOM 1383 N TYR B 59 15.403 9.510 -7.221 1.00 1.06 N ATOM 1384 CA TYR B 59 14.197 9.997 -6.588 1.00 1.06 C ATOM 1385 C TYR B 59 14.465 11.314 -5.869 1.00 1.09 C ATOM 1386 O TYR B 59 15.319 11.400 -4.987 1.00 1.06 O ATOM 1387 CB TYR B 59 13.605 8.936 -5.638 1.00 0.97 C ATOM 1388 CG TYR B 59 14.226 8.884 -4.256 1.00 0.89 C ATOM 1389 CD1 TYR B 59 15.365 8.134 -4.007 1.00 1.03 C ATOM 1390 CD2 TYR B 59 13.661 9.590 -3.198 1.00 1.03 C ATOM 1391 CE1 TYR B 59 15.925 8.091 -2.746 1.00 1.28 C ATOM 1392 CE2 TYR B 59 14.216 9.551 -1.936 1.00 1.27 C ATOM 1393 CZ TYR B 59 15.348 8.801 -1.715 1.00 1.38 C ATOM 1394 OH TYR B 59 15.907 8.761 -0.459 1.00 1.77 O ATOM 0 H TYR B 59 16.100 9.135 -6.578 1.00 1.06 H new ATOM 0 HA TYR B 59 13.453 10.188 -7.361 1.00 1.06 H new ATOM 0 HB2 TYR B 59 12.537 9.124 -5.531 1.00 0.97 H new ATOM 0 HB3 TYR B 59 13.712 7.956 -6.103 1.00 0.97 H new ATOM 0 HD1 TYR B 59 15.821 7.575 -4.811 1.00 1.03 H new ATOM 0 HD2 TYR B 59 12.772 10.179 -3.368 1.00 1.03 H new ATOM 0 HE1 TYR B 59 16.813 7.503 -2.568 1.00 1.28 H new ATOM 0 HE2 TYR B 59 13.765 10.106 -1.127 1.00 1.27 H new ATOM 0 HH TYR B 59 15.379 9.316 0.152 1.00 1.77 H new ATOM 1404 N GLU B 60 13.771 12.353 -6.318 1.00 1.18 N ATOM 1405 CA GLU B 60 13.863 13.698 -5.745 1.00 1.24 C ATOM 1406 C GLU B 60 15.299 14.226 -5.705 1.00 1.34 C ATOM 1407 O GLU B 60 15.593 15.181 -4.987 1.00 1.90 O ATOM 1408 CB GLU B 60 13.245 13.727 -4.341 1.00 1.13 C ATOM 1409 CG GLU B 60 11.847 13.120 -4.268 1.00 1.09 C ATOM 1410 CD GLU B 60 11.036 13.343 -5.533 1.00 1.49 C ATOM 1411 OE1 GLU B 60 10.626 14.491 -5.798 1.00 1.66 O ATOM 1412 OE2 GLU B 60 10.818 12.366 -6.282 1.00 2.02 O ATOM 0 H GLU B 60 13.119 12.288 -7.100 1.00 1.18 H new ATOM 0 HA GLU B 60 13.299 14.360 -6.402 1.00 1.24 H new ATOM 0 HB2 GLU B 60 13.900 13.190 -3.655 1.00 1.13 H new ATOM 0 HB3 GLU B 60 13.200 14.760 -3.996 1.00 1.13 H new ATOM 0 HG2 GLU B 60 11.931 12.049 -4.081 1.00 1.09 H new ATOM 0 HG3 GLU B 60 11.314 13.551 -3.421 1.00 1.09 H new ATOM 1419 N GLY B 61 16.187 13.621 -6.483 1.00 1.27 N ATOM 1420 CA GLY B 61 17.566 14.070 -6.514 1.00 1.32 C ATOM 1421 C GLY B 61 18.533 13.078 -5.895 1.00 1.22 C ATOM 1422 O GLY B 61 19.747 13.260 -5.980 1.00 1.33 O ATOM 0 H GLY B 61 15.978 12.830 -7.092 1.00 1.27 H new ATOM 0 HA2 GLY B 61 17.858 14.255 -7.548 1.00 1.32 H new ATOM 0 HA3 GLY B 61 17.644 15.021 -5.986 1.00 1.32 H new ATOM 1426 N LYS B 62 18.011 12.036 -5.263 1.00 1.08 N ATOM 1427 CA LYS B 62 18.858 11.027 -4.645 1.00 1.02 C ATOM 1428 C LYS B 62 18.791 9.731 -5.443 1.00 1.00 C ATOM 1429 O LYS B 62 17.709 9.283 -5.816 1.00 1.00 O ATOM 1430 CB LYS B 62 18.433 10.773 -3.198 1.00 0.92 C ATOM 1431 CG LYS B 62 19.457 9.988 -2.390 1.00 0.90 C ATOM 1432 CD LYS B 62 18.907 9.569 -1.034 1.00 0.94 C ATOM 1433 CE LYS B 62 18.698 10.756 -0.109 1.00 1.30 C ATOM 1434 NZ LYS B 62 19.981 11.278 0.430 1.00 1.59 N ATOM 0 H LYS B 62 17.010 11.868 -5.165 1.00 1.08 H new ATOM 0 HA LYS B 62 19.884 11.394 -4.642 1.00 1.02 H new ATOM 0 HB2 LYS B 62 18.252 11.730 -2.708 1.00 0.92 H new ATOM 0 HB3 LYS B 62 17.488 10.230 -3.196 1.00 0.92 H new ATOM 0 HG2 LYS B 62 19.759 9.102 -2.949 1.00 0.90 H new ATOM 0 HG3 LYS B 62 20.351 10.596 -2.248 1.00 0.90 H new ATOM 0 HD2 LYS B 62 17.960 9.048 -1.173 1.00 0.94 H new ATOM 0 HD3 LYS B 62 19.594 8.863 -0.567 1.00 0.94 H new ATOM 0 HE2 LYS B 62 18.183 11.550 -0.650 1.00 1.30 H new ATOM 0 HE3 LYS B 62 18.051 10.461 0.717 1.00 1.30 H new ATOM 0 HZ1 LYS B 62 19.789 12.065 1.082 1.00 1.59 H new ATOM 0 HZ2 LYS B 62 20.478 10.520 0.939 1.00 1.59 H new ATOM 0 HZ3 LYS B 62 20.575 11.615 -0.354 1.00 1.59 H new ATOM 1448 N GLU B 63 19.944 9.140 -5.709 1.00 1.03 N ATOM 1449 CA GLU B 63 20.005 7.895 -6.463 1.00 1.06 C ATOM 1450 C GLU B 63 19.999 6.701 -5.519 1.00 0.95 C ATOM 1451 O GLU B 63 20.941 6.504 -4.753 1.00 0.93 O ATOM 1452 CB GLU B 63 21.263 7.854 -7.331 1.00 1.22 C ATOM 1453 CG GLU B 63 21.360 9.000 -8.324 1.00 1.48 C ATOM 1454 CD GLU B 63 22.687 9.024 -9.050 1.00 1.64 C ATOM 1455 OE1 GLU B 63 23.736 9.122 -8.377 1.00 2.14 O ATOM 1456 OE2 GLU B 63 22.690 8.947 -10.297 1.00 1.90 O ATOM 0 H GLU B 63 20.852 9.501 -5.415 1.00 1.03 H new ATOM 0 HA GLU B 63 19.127 7.846 -7.107 1.00 1.06 H new ATOM 0 HB2 GLU B 63 22.140 7.871 -6.684 1.00 1.22 H new ATOM 0 HB3 GLU B 63 21.287 6.910 -7.876 1.00 1.22 H new ATOM 0 HG2 GLU B 63 20.553 8.916 -9.051 1.00 1.48 H new ATOM 0 HG3 GLU B 63 21.219 9.945 -7.799 1.00 1.48 H new ATOM 1463 N PHE B 64 18.934 5.913 -5.574 1.00 0.93 N ATOM 1464 CA PHE B 64 18.812 4.736 -4.726 1.00 0.85 C ATOM 1465 C PHE B 64 18.575 3.493 -5.574 1.00 0.91 C ATOM 1466 O PHE B 64 18.367 3.593 -6.784 1.00 1.02 O ATOM 1467 CB PHE B 64 17.670 4.914 -3.725 1.00 0.74 C ATOM 1468 CG PHE B 64 18.106 4.771 -2.294 1.00 0.71 C ATOM 1469 CD1 PHE B 64 18.593 5.863 -1.595 1.00 0.79 C ATOM 1470 CD2 PHE B 64 18.034 3.546 -1.649 1.00 0.65 C ATOM 1471 CE1 PHE B 64 18.998 5.736 -0.281 1.00 0.82 C ATOM 1472 CE2 PHE B 64 18.441 3.414 -0.334 1.00 0.68 C ATOM 1473 CZ PHE B 64 18.921 4.510 0.350 1.00 0.77 C ATOM 0 H PHE B 64 18.142 6.068 -6.198 1.00 0.93 H new ATOM 0 HA PHE B 64 19.744 4.612 -4.174 1.00 0.85 H new ATOM 0 HB2 PHE B 64 17.224 5.899 -3.865 1.00 0.74 H new ATOM 0 HB3 PHE B 64 16.893 4.179 -3.936 1.00 0.74 H new ATOM 0 HD1 PHE B 64 18.657 6.824 -2.083 1.00 0.79 H new ATOM 0 HD2 PHE B 64 17.656 2.685 -2.180 1.00 0.65 H new ATOM 0 HE1 PHE B 64 19.375 6.596 0.253 1.00 0.82 H new ATOM 0 HE2 PHE B 64 18.383 2.453 0.156 1.00 0.68 H new ATOM 0 HZ PHE B 64 19.236 4.410 1.378 1.00 0.77 H new ATOM 1483 N ASP B 65 18.613 2.328 -4.938 1.00 0.87 N ATOM 1484 CA ASP B 65 18.409 1.063 -5.639 1.00 0.94 C ATOM 1485 C ASP B 65 16.947 0.875 -6.018 1.00 1.03 C ATOM 1486 O ASP B 65 16.570 1.018 -7.181 1.00 1.18 O ATOM 1487 CB ASP B 65 18.860 -0.123 -4.778 1.00 0.88 C ATOM 1488 CG ASP B 65 20.336 -0.094 -4.452 1.00 0.84 C ATOM 1489 OD1 ASP B 65 21.148 -0.509 -5.304 1.00 1.39 O ATOM 1490 OD2 ASP B 65 20.694 0.355 -3.344 1.00 1.13 O ATOM 0 H ASP B 65 18.783 2.232 -3.937 1.00 0.87 H new ATOM 0 HA ASP B 65 19.012 1.098 -6.546 1.00 0.94 H new ATOM 0 HB2 ASP B 65 18.289 -0.128 -3.849 1.00 0.88 H new ATOM 0 HB3 ASP B 65 18.628 -1.052 -5.299 1.00 0.88 H new ATOM 1495 N TYR B 66 16.126 0.557 -5.031 1.00 0.99 N ATOM 1496 CA TYR B 66 14.712 0.339 -5.266 1.00 1.12 C ATOM 1497 C TYR B 66 13.891 1.407 -4.563 1.00 0.95 C ATOM 1498 O TYR B 66 14.105 1.687 -3.380 1.00 0.88 O ATOM 1499 CB TYR B 66 14.300 -1.053 -4.774 1.00 1.31 C ATOM 1500 CG TYR B 66 15.252 -2.155 -5.192 1.00 1.57 C ATOM 1501 CD1 TYR B 66 15.281 -2.616 -6.503 1.00 1.79 C ATOM 1502 CD2 TYR B 66 16.121 -2.731 -4.274 1.00 1.64 C ATOM 1503 CE1 TYR B 66 16.151 -3.621 -6.884 1.00 2.05 C ATOM 1504 CE2 TYR B 66 16.993 -3.735 -4.649 1.00 1.89 C ATOM 1505 CZ TYR B 66 17.006 -4.177 -5.955 1.00 2.08 C ATOM 1506 OH TYR B 66 17.877 -5.174 -6.333 1.00 2.34 O ATOM 0 H TYR B 66 16.416 0.444 -4.060 1.00 0.99 H new ATOM 0 HA TYR B 66 14.524 0.401 -6.338 1.00 1.12 H new ATOM 0 HB2 TYR B 66 14.231 -1.038 -3.686 1.00 1.31 H new ATOM 0 HB3 TYR B 66 13.304 -1.282 -5.153 1.00 1.31 H new ATOM 0 HD1 TYR B 66 14.615 -2.183 -7.234 1.00 1.79 H new ATOM 0 HD2 TYR B 66 16.115 -2.388 -3.250 1.00 1.64 H new ATOM 0 HE1 TYR B 66 16.161 -3.970 -7.906 1.00 2.05 H new ATOM 0 HE2 TYR B 66 17.662 -4.172 -3.922 1.00 1.89 H new ATOM 0 HH TYR B 66 18.409 -5.454 -5.559 1.00 2.34 H new ATOM 1516 N VAL B 67 12.969 2.019 -5.293 1.00 0.97 N ATOM 1517 CA VAL B 67 12.118 3.055 -4.727 1.00 0.85 C ATOM 1518 C VAL B 67 10.645 2.728 -4.964 1.00 0.86 C ATOM 1519 O VAL B 67 10.290 2.062 -5.941 1.00 1.09 O ATOM 1520 CB VAL B 67 12.437 4.455 -5.310 1.00 0.87 C ATOM 1521 CG1 VAL B 67 13.897 4.821 -5.088 1.00 0.85 C ATOM 1522 CG2 VAL B 67 12.089 4.525 -6.789 1.00 1.05 C ATOM 0 H VAL B 67 12.792 1.816 -6.277 1.00 0.97 H new ATOM 0 HA VAL B 67 12.320 3.081 -3.656 1.00 0.85 H new ATOM 0 HB VAL B 67 11.820 5.180 -4.780 1.00 0.87 H new ATOM 0 HG11 VAL B 67 14.092 5.808 -5.507 1.00 0.85 H new ATOM 0 HG12 VAL B 67 14.111 4.832 -4.019 1.00 0.85 H new ATOM 0 HG13 VAL B 67 14.535 4.086 -5.578 1.00 0.85 H new ATOM 0 HG21 VAL B 67 12.323 5.519 -7.171 1.00 1.05 H new ATOM 0 HG22 VAL B 67 12.668 3.780 -7.335 1.00 1.05 H new ATOM 0 HG23 VAL B 67 11.026 4.326 -6.922 1.00 1.05 H new ATOM 1532 N PHE B 68 9.797 3.182 -4.060 1.00 0.75 N ATOM 1533 CA PHE B 68 8.365 2.948 -4.168 1.00 0.79 C ATOM 1534 C PHE B 68 7.602 4.253 -3.989 1.00 0.81 C ATOM 1535 O PHE B 68 7.875 5.017 -3.062 1.00 0.77 O ATOM 1536 CB PHE B 68 7.918 1.922 -3.122 1.00 0.78 C ATOM 1537 CG PHE B 68 6.439 1.642 -3.131 1.00 1.42 C ATOM 1538 CD1 PHE B 68 5.852 0.965 -4.189 1.00 1.76 C ATOM 1539 CD2 PHE B 68 5.635 2.054 -2.078 1.00 2.40 C ATOM 1540 CE1 PHE B 68 4.494 0.706 -4.199 1.00 2.77 C ATOM 1541 CE2 PHE B 68 4.277 1.797 -2.082 1.00 3.40 C ATOM 1542 CZ PHE B 68 3.707 1.122 -3.144 1.00 3.53 C ATOM 0 H PHE B 68 10.075 3.718 -3.238 1.00 0.75 H new ATOM 0 HA PHE B 68 8.148 2.553 -5.160 1.00 0.79 H new ATOM 0 HB2 PHE B 68 8.455 0.989 -3.291 1.00 0.78 H new ATOM 0 HB3 PHE B 68 8.204 2.279 -2.133 1.00 0.78 H new ATOM 0 HD1 PHE B 68 6.464 0.636 -5.016 1.00 1.76 H new ATOM 0 HD2 PHE B 68 6.076 2.582 -1.245 1.00 2.40 H new ATOM 0 HE1 PHE B 68 4.050 0.179 -5.031 1.00 2.77 H new ATOM 0 HE2 PHE B 68 3.662 2.123 -1.256 1.00 3.40 H new ATOM 0 HZ PHE B 68 2.646 0.920 -3.149 1.00 3.53 H new ATOM 1552 N SER B 69 6.672 4.518 -4.894 1.00 0.93 N ATOM 1553 CA SER B 69 5.863 5.723 -4.831 1.00 0.99 C ATOM 1554 C SER B 69 4.738 5.555 -3.812 1.00 1.07 C ATOM 1555 O SER B 69 3.850 4.719 -3.985 1.00 1.23 O ATOM 1556 CB SER B 69 5.282 6.042 -6.212 1.00 1.13 C ATOM 1557 OG SER B 69 6.287 5.992 -7.214 1.00 1.37 O ATOM 0 H SER B 69 6.459 3.910 -5.685 1.00 0.93 H new ATOM 0 HA SER B 69 6.497 6.552 -4.516 1.00 0.99 H new ATOM 0 HB2 SER B 69 4.491 5.331 -6.450 1.00 1.13 H new ATOM 0 HB3 SER B 69 4.827 7.032 -6.198 1.00 1.13 H new ATOM 0 HG SER B 69 5.890 6.198 -8.086 1.00 1.37 H new ATOM 1563 N ILE B 70 4.788 6.339 -2.746 1.00 1.01 N ATOM 1564 CA ILE B 70 3.781 6.268 -1.699 1.00 1.12 C ATOM 1565 C ILE B 70 2.867 7.479 -1.746 1.00 1.08 C ATOM 1566 O ILE B 70 3.253 8.583 -1.350 1.00 1.10 O ATOM 1567 CB ILE B 70 4.405 6.188 -0.289 1.00 1.21 C ATOM 1568 CG1 ILE B 70 5.857 5.701 -0.354 1.00 1.41 C ATOM 1569 CG2 ILE B 70 3.576 5.270 0.596 1.00 1.35 C ATOM 1570 CD1 ILE B 70 6.672 6.089 0.861 1.00 1.62 C ATOM 0 H ILE B 70 5.517 7.033 -2.583 1.00 1.01 H new ATOM 0 HA ILE B 70 3.214 5.356 -1.885 1.00 1.12 H new ATOM 0 HB ILE B 70 4.407 7.189 0.141 1.00 1.21 H new ATOM 0 HG12 ILE B 70 5.865 4.616 -0.457 1.00 1.41 H new ATOM 0 HG13 ILE B 70 6.331 6.110 -1.247 1.00 1.41 H new ATOM 0 HG21 ILE B 70 4.024 5.220 1.589 1.00 1.35 H new ATOM 0 HG22 ILE B 70 2.561 5.660 0.675 1.00 1.35 H new ATOM 0 HG23 ILE B 70 3.548 4.272 0.160 1.00 1.35 H new ATOM 0 HD11 ILE B 70 7.690 5.714 0.751 1.00 1.62 H new ATOM 0 HD12 ILE B 70 6.693 7.175 0.953 1.00 1.62 H new ATOM 0 HD13 ILE B 70 6.221 5.658 1.755 1.00 1.62 H new ATOM 1582 N ASP B 71 1.664 7.277 -2.247 1.00 1.20 N ATOM 1583 CA ASP B 71 0.681 8.344 -2.330 1.00 1.30 C ATOM 1584 C ASP B 71 -0.150 8.385 -1.050 1.00 1.30 C ATOM 1585 O ASP B 71 -0.773 7.391 -0.668 1.00 1.46 O ATOM 1586 CB ASP B 71 -0.223 8.154 -3.557 1.00 1.55 C ATOM 1587 CG ASP B 71 -0.874 6.783 -3.613 1.00 1.54 C ATOM 1588 OD1 ASP B 71 -0.161 5.783 -3.850 1.00 1.89 O ATOM 1589 OD2 ASP B 71 -2.104 6.693 -3.439 1.00 1.95 O ATOM 0 H ASP B 71 1.341 6.378 -2.605 1.00 1.20 H new ATOM 0 HA ASP B 71 1.203 9.294 -2.441 1.00 1.30 H new ATOM 0 HB2 ASP B 71 -1.000 8.918 -3.550 1.00 1.55 H new ATOM 0 HB3 ASP B 71 0.366 8.307 -4.461 1.00 1.55 H new ATOM 1594 N VAL B 72 -0.130 9.530 -0.375 1.00 1.31 N ATOM 1595 CA VAL B 72 -0.876 9.702 0.868 1.00 1.39 C ATOM 1596 C VAL B 72 -2.336 10.063 0.582 1.00 1.60 C ATOM 1597 O VAL B 72 -3.246 9.630 1.288 1.00 1.74 O ATOM 1598 CB VAL B 72 -0.218 10.775 1.778 1.00 1.41 C ATOM 1599 CG1 VAL B 72 -0.078 12.106 1.054 1.00 1.50 C ATOM 1600 CG2 VAL B 72 -1.001 10.941 3.073 1.00 1.98 C ATOM 0 H VAL B 72 0.395 10.354 -0.668 1.00 1.31 H new ATOM 0 HA VAL B 72 -0.854 8.751 1.400 1.00 1.39 H new ATOM 0 HB VAL B 72 0.785 10.428 2.028 1.00 1.41 H new ATOM 0 HG11 VAL B 72 0.386 12.835 1.719 1.00 1.50 H new ATOM 0 HG12 VAL B 72 0.544 11.975 0.169 1.00 1.50 H new ATOM 0 HG13 VAL B 72 -1.064 12.463 0.755 1.00 1.50 H new ATOM 0 HG21 VAL B 72 -0.521 11.698 3.694 1.00 1.98 H new ATOM 0 HG22 VAL B 72 -2.020 11.252 2.845 1.00 1.98 H new ATOM 0 HG23 VAL B 72 -1.023 9.992 3.609 1.00 1.98 H new ATOM 1610 N ASN B 73 -2.555 10.834 -0.473 1.00 1.74 N ATOM 1611 CA ASN B 73 -3.900 11.245 -0.848 1.00 2.04 C ATOM 1612 C ASN B 73 -4.163 10.911 -2.308 1.00 2.10 C ATOM 1613 O ASN B 73 -3.276 10.412 -3.004 1.00 2.56 O ATOM 1614 CB ASN B 73 -4.099 12.744 -0.607 1.00 2.45 C ATOM 1615 CG ASN B 73 -4.765 13.042 0.725 1.00 3.02 C ATOM 1616 OD1 ASN B 73 -4.094 13.241 1.740 1.00 3.36 O ATOM 1617 ND2 ASN B 73 -6.089 13.080 0.732 1.00 3.55 N ATOM 0 H ASN B 73 -1.819 11.188 -1.084 1.00 1.74 H new ATOM 0 HA ASN B 73 -4.610 10.700 -0.225 1.00 2.04 H new ATOM 0 HB2 ASN B 73 -3.132 13.245 -0.645 1.00 2.45 H new ATOM 0 HB3 ASN B 73 -4.705 13.160 -1.412 1.00 2.45 H new ATOM 0 HD21 ASN B 73 -6.589 13.279 1.598 1.00 3.55 H new ATOM 0 HD22 ASN B 73 -6.609 12.910 -0.129 1.00 3.55 H new ATOM 1624 N GLU B 74 -5.369 11.207 -2.776 1.00 2.11 N ATOM 1625 CA GLU B 74 -5.747 10.926 -4.155 1.00 2.37 C ATOM 1626 C GLU B 74 -5.103 11.930 -5.118 1.00 2.06 C ATOM 1627 O GLU B 74 -5.755 12.845 -5.625 1.00 2.44 O ATOM 1628 CB GLU B 74 -7.282 10.907 -4.313 1.00 3.12 C ATOM 1629 CG GLU B 74 -7.994 12.177 -3.863 1.00 3.50 C ATOM 1630 CD GLU B 74 -8.237 12.237 -2.370 1.00 4.28 C ATOM 1631 OE1 GLU B 74 -7.316 12.658 -1.631 1.00 4.76 O ATOM 1632 OE2 GLU B 74 -9.348 11.878 -1.933 1.00 4.70 O ATOM 0 H GLU B 74 -6.104 11.643 -2.219 1.00 2.11 H new ATOM 0 HA GLU B 74 -5.373 9.935 -4.411 1.00 2.37 H new ATOM 0 HB2 GLU B 74 -7.522 10.727 -5.361 1.00 3.12 H new ATOM 0 HB3 GLU B 74 -7.680 10.066 -3.746 1.00 3.12 H new ATOM 0 HG2 GLU B 74 -7.401 13.042 -4.162 1.00 3.50 H new ATOM 0 HG3 GLU B 74 -8.950 12.251 -4.382 1.00 3.50 H new ATOM 1639 N GLY B 75 -3.809 11.756 -5.353 1.00 1.96 N ATOM 1640 CA GLY B 75 -3.086 12.643 -6.244 1.00 1.83 C ATOM 1641 C GLY B 75 -1.680 12.905 -5.761 1.00 1.79 C ATOM 1642 O GLY B 75 -0.765 13.118 -6.559 1.00 2.16 O ATOM 0 H GLY B 75 -3.245 11.013 -4.941 1.00 1.96 H new ATOM 0 HA2 GLY B 75 -3.051 12.205 -7.242 1.00 1.83 H new ATOM 0 HA3 GLY B 75 -3.622 13.588 -6.329 1.00 1.83 H new ATOM 1646 N GLY B 76 -1.504 12.887 -4.448 1.00 1.70 N ATOM 1647 CA GLY B 76 -0.203 13.123 -3.883 1.00 1.72 C ATOM 1648 C GLY B 76 -0.293 13.882 -2.565 1.00 1.64 C ATOM 1649 O GLY B 76 -1.379 13.999 -1.996 1.00 1.74 O ATOM 0 H GLY B 76 -2.244 12.712 -3.768 1.00 1.70 H new ATOM 0 HA2 GLY B 76 0.302 12.171 -3.721 1.00 1.72 H new ATOM 0 HA3 GLY B 76 0.404 13.690 -4.589 1.00 1.72 H new ATOM 1653 N PRO B 77 0.835 14.405 -2.052 1.00 1.48 N ATOM 1654 CA PRO B 77 2.152 14.266 -2.693 1.00 1.39 C ATOM 1655 C PRO B 77 2.657 12.824 -2.688 1.00 1.29 C ATOM 1656 O PRO B 77 2.492 12.100 -1.702 1.00 1.33 O ATOM 1657 CB PRO B 77 3.062 15.162 -1.843 1.00 1.36 C ATOM 1658 CG PRO B 77 2.389 15.233 -0.517 1.00 1.41 C ATOM 1659 CD PRO B 77 0.915 15.175 -0.798 1.00 1.46 C ATOM 0 HA PRO B 77 2.122 14.547 -3.746 1.00 1.39 H new ATOM 0 HB2 PRO B 77 4.064 14.741 -1.757 1.00 1.36 H new ATOM 0 HB3 PRO B 77 3.169 16.152 -2.286 1.00 1.36 H new ATOM 0 HG2 PRO B 77 2.697 14.406 0.122 1.00 1.41 H new ATOM 0 HG3 PRO B 77 2.651 16.153 0.005 1.00 1.41 H new ATOM 0 HD2 PRO B 77 0.371 14.685 0.010 1.00 1.46 H new ATOM 0 HD3 PRO B 77 0.488 16.172 -0.911 1.00 1.46 H new ATOM 1667 N SER B 78 3.241 12.407 -3.798 1.00 1.25 N ATOM 1668 CA SER B 78 3.754 11.058 -3.932 1.00 1.17 C ATOM 1669 C SER B 78 5.169 10.959 -3.372 1.00 1.05 C ATOM 1670 O SER B 78 6.130 11.404 -4.001 1.00 1.14 O ATOM 1671 CB SER B 78 3.736 10.658 -5.406 1.00 1.28 C ATOM 1672 OG SER B 78 2.912 11.545 -6.150 1.00 1.47 O ATOM 0 H SER B 78 3.372 12.990 -4.625 1.00 1.25 H new ATOM 0 HA SER B 78 3.121 10.378 -3.363 1.00 1.17 H new ATOM 0 HB2 SER B 78 4.750 10.672 -5.806 1.00 1.28 H new ATOM 0 HB3 SER B 78 3.367 9.637 -5.508 1.00 1.28 H new ATOM 0 HG SER B 78 2.911 11.278 -7.093 1.00 1.47 H new ATOM 1678 N TYR B 79 5.287 10.384 -2.185 1.00 1.02 N ATOM 1679 CA TYR B 79 6.583 10.220 -1.543 1.00 0.93 C ATOM 1680 C TYR B 79 7.328 9.050 -2.173 1.00 0.87 C ATOM 1681 O TYR B 79 6.722 8.216 -2.842 1.00 0.85 O ATOM 1682 CB TYR B 79 6.411 9.997 -0.040 1.00 0.93 C ATOM 1683 CG TYR B 79 5.818 11.187 0.683 1.00 1.00 C ATOM 1684 CD1 TYR B 79 6.617 12.255 1.077 1.00 1.15 C ATOM 1685 CD2 TYR B 79 4.460 11.245 0.973 1.00 1.06 C ATOM 1686 CE1 TYR B 79 6.078 13.345 1.736 1.00 1.26 C ATOM 1687 CE2 TYR B 79 3.915 12.332 1.631 1.00 1.15 C ATOM 1688 CZ TYR B 79 4.729 13.378 2.011 1.00 1.22 C ATOM 1689 OH TYR B 79 4.192 14.463 2.664 1.00 1.35 O ATOM 0 H TYR B 79 4.500 10.023 -1.646 1.00 1.02 H new ATOM 0 HA TYR B 79 7.166 11.129 -1.689 1.00 0.93 H new ATOM 0 HB2 TYR B 79 5.771 9.129 0.120 1.00 0.93 H new ATOM 0 HB3 TYR B 79 7.381 9.762 0.398 1.00 0.93 H new ATOM 0 HD1 TYR B 79 7.676 12.233 0.865 1.00 1.15 H new ATOM 0 HD2 TYR B 79 3.819 10.427 0.679 1.00 1.06 H new ATOM 0 HE1 TYR B 79 6.712 14.167 2.034 1.00 1.26 H new ATOM 0 HE2 TYR B 79 2.857 12.362 1.846 1.00 1.15 H new ATOM 0 HH TYR B 79 3.228 14.331 2.780 1.00 1.35 H new ATOM 1699 N LYS B 80 8.633 8.987 -1.967 1.00 0.87 N ATOM 1700 CA LYS B 80 9.434 7.916 -2.544 1.00 0.83 C ATOM 1701 C LYS B 80 10.175 7.149 -1.456 1.00 0.77 C ATOM 1702 O LYS B 80 11.008 7.709 -0.746 1.00 0.81 O ATOM 1703 CB LYS B 80 10.436 8.486 -3.554 1.00 0.87 C ATOM 1704 CG LYS B 80 9.852 9.543 -4.487 1.00 0.99 C ATOM 1705 CD LYS B 80 8.915 8.935 -5.519 1.00 1.08 C ATOM 1706 CE LYS B 80 9.564 8.872 -6.897 1.00 1.41 C ATOM 1707 NZ LYS B 80 9.738 10.223 -7.502 1.00 2.14 N ATOM 0 H LYS B 80 9.159 9.659 -1.409 1.00 0.87 H new ATOM 0 HA LYS B 80 8.762 7.229 -3.058 1.00 0.83 H new ATOM 0 HB2 LYS B 80 11.275 8.921 -3.011 1.00 0.87 H new ATOM 0 HB3 LYS B 80 10.835 7.668 -4.154 1.00 0.87 H new ATOM 0 HG2 LYS B 80 9.312 10.286 -3.900 1.00 0.99 H new ATOM 0 HG3 LYS B 80 10.662 10.065 -4.996 1.00 0.99 H new ATOM 0 HD2 LYS B 80 8.628 7.931 -5.205 1.00 1.08 H new ATOM 0 HD3 LYS B 80 8.000 9.525 -5.573 1.00 1.08 H new ATOM 0 HE2 LYS B 80 10.536 8.384 -6.817 1.00 1.41 H new ATOM 0 HE3 LYS B 80 8.952 8.257 -7.557 1.00 1.41 H new ATOM 0 HZ1 LYS B 80 10.485 10.186 -8.225 1.00 2.14 H new ATOM 0 HZ2 LYS B 80 8.845 10.524 -7.942 1.00 2.14 H new ATOM 0 HZ3 LYS B 80 10.005 10.903 -6.762 1.00 2.14 H new ATOM 1721 N LEU B 81 9.857 5.870 -1.329 1.00 0.70 N ATOM 1722 CA LEU B 81 10.493 5.009 -0.339 1.00 0.67 C ATOM 1723 C LEU B 81 11.828 4.488 -0.862 1.00 0.63 C ATOM 1724 O LEU B 81 11.868 3.805 -1.882 1.00 0.60 O ATOM 1725 CB LEU B 81 9.579 3.827 -0.006 1.00 0.66 C ATOM 1726 CG LEU B 81 10.134 2.846 1.028 1.00 0.75 C ATOM 1727 CD1 LEU B 81 9.949 3.387 2.436 1.00 0.87 C ATOM 1728 CD2 LEU B 81 9.467 1.489 0.881 1.00 1.13 C ATOM 0 H LEU B 81 9.157 5.401 -1.903 1.00 0.70 H new ATOM 0 HA LEU B 81 10.670 5.595 0.563 1.00 0.67 H new ATOM 0 HB2 LEU B 81 8.628 4.215 0.359 1.00 0.66 H new ATOM 0 HB3 LEU B 81 9.369 3.281 -0.925 1.00 0.66 H new ATOM 0 HG LEU B 81 11.203 2.726 0.850 1.00 0.75 H new ATOM 0 HD11 LEU B 81 10.351 2.674 3.156 1.00 0.87 H new ATOM 0 HD12 LEU B 81 10.476 4.336 2.533 1.00 0.87 H new ATOM 0 HD13 LEU B 81 8.887 3.540 2.630 1.00 0.87 H new ATOM 0 HD21 LEU B 81 9.873 0.802 1.624 1.00 1.13 H new ATOM 0 HD22 LEU B 81 8.393 1.593 1.032 1.00 1.13 H new ATOM 0 HD23 LEU B 81 9.657 1.097 -0.118 1.00 1.13 H new ATOM 1740 N PRO B 82 12.937 4.825 -0.186 1.00 0.68 N ATOM 1741 CA PRO B 82 14.270 4.380 -0.577 1.00 0.70 C ATOM 1742 C PRO B 82 14.674 3.067 0.096 1.00 0.69 C ATOM 1743 O PRO B 82 14.838 3.009 1.314 1.00 0.73 O ATOM 1744 CB PRO B 82 15.149 5.527 -0.090 1.00 0.77 C ATOM 1745 CG PRO B 82 14.446 6.086 1.110 1.00 0.78 C ATOM 1746 CD PRO B 82 12.988 5.690 1.004 1.00 0.77 C ATOM 0 HA PRO B 82 14.346 4.173 -1.645 1.00 0.70 H new ATOM 0 HB2 PRO B 82 16.147 5.174 0.169 1.00 0.77 H new ATOM 0 HB3 PRO B 82 15.269 6.285 -0.864 1.00 0.77 H new ATOM 0 HG2 PRO B 82 14.884 5.696 2.028 1.00 0.78 H new ATOM 0 HG3 PRO B 82 14.548 7.171 1.144 1.00 0.78 H new ATOM 0 HD2 PRO B 82 12.653 5.161 1.896 1.00 0.77 H new ATOM 0 HD3 PRO B 82 12.345 6.563 0.890 1.00 0.77 H new ATOM 1754 N TYR B 83 14.834 2.015 -0.696 1.00 0.69 N ATOM 1755 CA TYR B 83 15.223 0.718 -0.162 1.00 0.70 C ATOM 1756 C TYR B 83 16.483 0.192 -0.844 1.00 0.74 C ATOM 1757 O TYR B 83 16.634 0.277 -2.067 1.00 0.78 O ATOM 1758 CB TYR B 83 14.083 -0.295 -0.313 1.00 0.75 C ATOM 1759 CG TYR B 83 14.447 -1.700 0.132 1.00 0.80 C ATOM 1760 CD1 TYR B 83 14.597 -2.009 1.479 1.00 0.82 C ATOM 1761 CD2 TYR B 83 14.647 -2.715 -0.798 1.00 0.87 C ATOM 1762 CE1 TYR B 83 14.936 -3.289 1.886 1.00 0.89 C ATOM 1763 CE2 TYR B 83 14.983 -3.994 -0.399 1.00 0.93 C ATOM 1764 CZ TYR B 83 15.125 -4.277 0.943 1.00 0.94 C ATOM 1765 OH TYR B 83 15.462 -5.551 1.343 1.00 1.02 O ATOM 0 H TYR B 83 14.701 2.035 -1.707 1.00 0.69 H new ATOM 0 HA TYR B 83 15.439 0.851 0.898 1.00 0.70 H new ATOM 0 HB2 TYR B 83 13.226 0.048 0.266 1.00 0.75 H new ATOM 0 HB3 TYR B 83 13.772 -0.324 -1.357 1.00 0.75 H new ATOM 0 HD1 TYR B 83 14.447 -1.238 2.221 1.00 0.82 H new ATOM 0 HD2 TYR B 83 14.538 -2.499 -1.851 1.00 0.87 H new ATOM 0 HE1 TYR B 83 15.052 -3.512 2.936 1.00 0.89 H new ATOM 0 HE2 TYR B 83 15.134 -4.769 -1.135 1.00 0.93 H new ATOM 0 HH TYR B 83 15.557 -6.127 0.556 1.00 1.02 H new ATOM 1775 N ASN B 84 17.377 -0.351 -0.031 1.00 0.76 N ATOM 1776 CA ASN B 84 18.628 -0.921 -0.508 1.00 0.84 C ATOM 1777 C ASN B 84 18.721 -2.377 -0.070 1.00 0.93 C ATOM 1778 O ASN B 84 18.230 -2.740 1.003 1.00 0.95 O ATOM 1779 CB ASN B 84 19.823 -0.126 0.032 1.00 0.86 C ATOM 1780 CG ASN B 84 19.744 0.110 1.530 1.00 1.63 C ATOM 1781 OD1 ASN B 84 19.005 0.976 1.998 1.00 2.01 O ATOM 1782 ND2 ASN B 84 20.519 -0.642 2.291 1.00 2.53 N ATOM 0 H ASN B 84 17.255 -0.409 0.980 1.00 0.76 H new ATOM 0 HA ASN B 84 18.650 -0.870 -1.597 1.00 0.84 H new ATOM 0 HB2 ASN B 84 20.744 -0.661 -0.199 1.00 0.86 H new ATOM 0 HB3 ASN B 84 19.876 0.835 -0.480 1.00 0.86 H new ATOM 0 HD21 ASN B 84 20.518 -0.515 3.303 1.00 2.53 H new ATOM 0 HD22 ASN B 84 21.118 -1.350 1.867 1.00 2.53 H new ATOM 1789 N THR B 85 19.351 -3.213 -0.889 1.00 1.07 N ATOM 1790 CA THR B 85 19.491 -4.635 -0.591 1.00 1.20 C ATOM 1791 C THR B 85 20.569 -4.904 0.464 1.00 1.16 C ATOM 1792 O THR B 85 21.441 -5.755 0.281 1.00 1.39 O ATOM 1793 CB THR B 85 19.823 -5.418 -1.877 1.00 1.34 C ATOM 1794 OG1 THR B 85 20.009 -4.502 -2.966 1.00 1.53 O ATOM 1795 CG2 THR B 85 18.707 -6.397 -2.217 1.00 1.79 C ATOM 0 H THR B 85 19.776 -2.928 -1.771 1.00 1.07 H new ATOM 0 HA THR B 85 18.537 -4.972 -0.186 1.00 1.20 H new ATOM 0 HB THR B 85 20.741 -5.982 -1.711 1.00 1.34 H new ATOM 0 HG1 THR B 85 20.221 -5.002 -3.782 1.00 1.53 H new ATOM 0 HG21 THR B 85 18.963 -6.938 -3.128 1.00 1.79 H new ATOM 0 HG22 THR B 85 18.582 -7.105 -1.397 1.00 1.79 H new ATOM 0 HG23 THR B 85 17.777 -5.850 -2.369 1.00 1.79 H new ATOM 1803 N SER B 86 20.499 -4.175 1.570 1.00 1.23 N ATOM 1804 CA SER B 86 21.455 -4.329 2.657 1.00 1.24 C ATOM 1805 C SER B 86 20.861 -3.825 3.970 1.00 1.22 C ATOM 1806 O SER B 86 21.579 -3.603 4.946 1.00 1.43 O ATOM 1807 CB SER B 86 22.746 -3.573 2.332 1.00 1.53 C ATOM 1808 OG SER B 86 22.479 -2.417 1.549 1.00 1.95 O ATOM 0 H SER B 86 19.785 -3.467 1.738 1.00 1.23 H new ATOM 0 HA SER B 86 21.686 -5.388 2.770 1.00 1.24 H new ATOM 0 HB2 SER B 86 23.244 -3.282 3.257 1.00 1.53 H new ATOM 0 HB3 SER B 86 23.430 -4.230 1.795 1.00 1.53 H new ATOM 0 HG SER B 86 23.319 -1.951 1.356 1.00 1.95 H new ATOM 1814 N ASP B 87 19.545 -3.655 3.992 1.00 1.20 N ATOM 1815 CA ASP B 87 18.863 -3.166 5.184 1.00 1.43 C ATOM 1816 C ASP B 87 17.735 -4.117 5.576 1.00 1.19 C ATOM 1817 O ASP B 87 17.630 -5.216 5.032 1.00 1.33 O ATOM 1818 CB ASP B 87 18.317 -1.759 4.936 1.00 1.99 C ATOM 1819 CG ASP B 87 18.313 -0.915 6.195 1.00 2.54 C ATOM 1820 OD1 ASP B 87 17.311 -0.946 6.940 1.00 2.92 O ATOM 1821 OD2 ASP B 87 19.317 -0.216 6.442 1.00 2.97 O ATOM 0 H ASP B 87 18.930 -3.848 3.201 1.00 1.20 H new ATOM 0 HA ASP B 87 19.577 -3.122 6.006 1.00 1.43 H new ATOM 0 HB2 ASP B 87 18.920 -1.267 4.173 1.00 1.99 H new ATOM 0 HB3 ASP B 87 17.302 -1.829 4.545 1.00 1.99 H new ATOM 1826 N ASP B 88 16.895 -3.693 6.508 1.00 1.18 N ATOM 1827 CA ASP B 88 15.781 -4.511 6.972 1.00 1.09 C ATOM 1828 C ASP B 88 14.455 -3.852 6.606 1.00 0.98 C ATOM 1829 O ASP B 88 14.260 -2.674 6.878 1.00 0.95 O ATOM 1830 CB ASP B 88 15.868 -4.711 8.487 1.00 1.31 C ATOM 1831 CG ASP B 88 14.611 -5.327 9.065 1.00 1.86 C ATOM 1832 OD1 ASP B 88 14.521 -6.573 9.115 1.00 2.12 O ATOM 1833 OD2 ASP B 88 13.711 -4.574 9.477 1.00 2.55 O ATOM 0 H ASP B 88 16.963 -2.782 6.961 1.00 1.18 H new ATOM 0 HA ASP B 88 15.836 -5.485 6.485 1.00 1.09 H new ATOM 0 HB2 ASP B 88 16.721 -5.350 8.717 1.00 1.31 H new ATOM 0 HB3 ASP B 88 16.051 -3.750 8.967 1.00 1.31 H new ATOM 1838 N PRO B 89 13.528 -4.610 5.989 1.00 0.95 N ATOM 1839 CA PRO B 89 12.216 -4.098 5.565 1.00 0.90 C ATOM 1840 C PRO B 89 11.521 -3.227 6.615 1.00 0.89 C ATOM 1841 O PRO B 89 11.034 -2.141 6.302 1.00 0.85 O ATOM 1842 CB PRO B 89 11.412 -5.374 5.324 1.00 0.96 C ATOM 1843 CG PRO B 89 12.428 -6.378 4.905 1.00 0.79 C ATOM 1844 CD PRO B 89 13.692 -6.035 5.647 1.00 1.00 C ATOM 0 HA PRO B 89 12.310 -3.445 4.698 1.00 0.90 H new ATOM 0 HB2 PRO B 89 10.889 -5.691 6.226 1.00 0.96 H new ATOM 0 HB3 PRO B 89 10.656 -5.228 4.552 1.00 0.96 H new ATOM 0 HG2 PRO B 89 12.098 -7.389 5.145 1.00 0.79 H new ATOM 0 HG3 PRO B 89 12.588 -6.343 3.827 1.00 0.79 H new ATOM 0 HD2 PRO B 89 13.810 -6.649 6.540 1.00 1.00 H new ATOM 0 HD3 PRO B 89 14.575 -6.198 5.029 1.00 1.00 H new ATOM 1852 N TRP B 90 11.492 -3.699 7.855 1.00 0.97 N ATOM 1853 CA TRP B 90 10.849 -2.966 8.939 1.00 1.01 C ATOM 1854 C TRP B 90 11.634 -1.700 9.267 1.00 0.99 C ATOM 1855 O TRP B 90 11.062 -0.612 9.371 1.00 0.96 O ATOM 1856 CB TRP B 90 10.731 -3.860 10.178 1.00 1.13 C ATOM 1857 CG TRP B 90 9.807 -3.327 11.233 1.00 1.32 C ATOM 1858 CD1 TRP B 90 8.465 -3.554 11.332 1.00 1.47 C ATOM 1859 CD2 TRP B 90 10.154 -2.491 12.346 1.00 2.16 C ATOM 1860 NE1 TRP B 90 7.957 -2.908 12.434 1.00 2.14 N ATOM 1861 CE2 TRP B 90 8.974 -2.249 13.071 1.00 2.56 C ATOM 1862 CE3 TRP B 90 11.349 -1.924 12.798 1.00 2.87 C ATOM 1863 CZ2 TRP B 90 8.951 -1.462 14.218 1.00 3.50 C ATOM 1864 CZ3 TRP B 90 11.326 -1.145 13.939 1.00 3.79 C ATOM 1865 CH2 TRP B 90 10.136 -0.922 14.638 1.00 4.06 C ATOM 0 H TRP B 90 11.907 -4.588 8.136 1.00 0.97 H new ATOM 0 HA TRP B 90 9.848 -2.674 8.620 1.00 1.01 H new ATOM 0 HB2 TRP B 90 10.383 -4.846 9.870 1.00 1.13 H new ATOM 0 HB3 TRP B 90 11.722 -3.994 10.612 1.00 1.13 H new ATOM 0 HD1 TRP B 90 7.886 -4.154 10.645 1.00 1.47 H new ATOM 0 HE1 TRP B 90 6.981 -2.918 12.729 1.00 2.14 H new ATOM 0 HE3 TRP B 90 12.273 -2.092 12.265 1.00 2.87 H new ATOM 0 HZ2 TRP B 90 8.032 -1.284 14.757 1.00 3.50 H new ATOM 0 HZ3 TRP B 90 12.243 -0.701 14.297 1.00 3.79 H new ATOM 0 HH2 TRP B 90 10.152 -0.311 15.528 1.00 4.06 H new ATOM 1876 N LEU B 91 12.946 -1.847 9.408 1.00 1.03 N ATOM 1877 CA LEU B 91 13.820 -0.724 9.734 1.00 1.05 C ATOM 1878 C LEU B 91 13.810 0.338 8.639 1.00 0.97 C ATOM 1879 O LEU B 91 13.648 1.523 8.928 1.00 0.99 O ATOM 1880 CB LEU B 91 15.256 -1.200 9.979 1.00 1.14 C ATOM 1881 CG LEU B 91 15.493 -1.915 11.315 1.00 1.32 C ATOM 1882 CD1 LEU B 91 16.948 -2.341 11.440 1.00 1.39 C ATOM 1883 CD2 LEU B 91 15.104 -1.016 12.477 1.00 1.43 C ATOM 0 H LEU B 91 13.431 -2.738 9.301 1.00 1.03 H new ATOM 0 HA LEU B 91 13.432 -0.275 10.648 1.00 1.05 H new ATOM 0 HB2 LEU B 91 15.540 -1.873 9.170 1.00 1.14 H new ATOM 0 HB3 LEU B 91 15.921 -0.338 9.925 1.00 1.14 H new ATOM 0 HG LEU B 91 14.867 -2.807 11.343 1.00 1.32 H new ATOM 0 HD11 LEU B 91 17.098 -2.847 12.394 1.00 1.39 H new ATOM 0 HD12 LEU B 91 17.199 -3.020 10.625 1.00 1.39 H new ATOM 0 HD13 LEU B 91 17.590 -1.462 11.390 1.00 1.39 H new ATOM 0 HD21 LEU B 91 15.279 -1.540 13.417 1.00 1.43 H new ATOM 0 HD22 LEU B 91 15.705 -0.107 12.451 1.00 1.43 H new ATOM 0 HD23 LEU B 91 14.049 -0.755 12.398 1.00 1.43 H new ATOM 1895 N THR B 92 13.977 -0.082 7.391 1.00 0.92 N ATOM 1896 CA THR B 92 13.987 0.848 6.267 1.00 0.88 C ATOM 1897 C THR B 92 12.659 1.590 6.154 1.00 0.81 C ATOM 1898 O THR B 92 12.629 2.808 5.956 1.00 0.82 O ATOM 1899 CB THR B 92 14.268 0.125 4.938 1.00 0.92 C ATOM 1900 OG1 THR B 92 15.274 -0.877 5.120 1.00 0.97 O ATOM 1901 CG2 THR B 92 14.725 1.111 3.876 1.00 1.06 C ATOM 0 H THR B 92 14.107 -1.060 7.131 1.00 0.92 H new ATOM 0 HA THR B 92 14.787 1.563 6.460 1.00 0.88 H new ATOM 0 HB THR B 92 13.342 -0.347 4.609 1.00 0.92 H new ATOM 0 HG1 THR B 92 15.857 -0.624 5.866 1.00 0.97 H new ATOM 0 HG21 THR B 92 14.918 0.579 2.945 1.00 1.06 H new ATOM 0 HG22 THR B 92 13.947 1.857 3.713 1.00 1.06 H new ATOM 0 HG23 THR B 92 15.638 1.606 4.207 1.00 1.06 H new ATOM 1909 N ALA B 93 11.561 0.855 6.291 1.00 0.79 N ATOM 1910 CA ALA B 93 10.235 1.446 6.206 1.00 0.79 C ATOM 1911 C ALA B 93 10.021 2.439 7.342 1.00 0.84 C ATOM 1912 O ALA B 93 9.571 3.563 7.120 1.00 0.84 O ATOM 1913 CB ALA B 93 9.167 0.367 6.236 1.00 0.82 C ATOM 0 H ALA B 93 11.565 -0.151 6.461 1.00 0.79 H new ATOM 0 HA ALA B 93 10.157 1.981 5.259 1.00 0.79 H new ATOM 0 HB1 ALA B 93 8.182 0.828 6.171 1.00 0.82 H new ATOM 0 HB2 ALA B 93 9.308 -0.308 5.392 1.00 0.82 H new ATOM 0 HB3 ALA B 93 9.244 -0.195 7.167 1.00 0.82 H new ATOM 1919 N TYR B 94 10.370 2.023 8.556 1.00 0.93 N ATOM 1920 CA TYR B 94 10.221 2.875 9.730 1.00 1.04 C ATOM 1921 C TYR B 94 11.129 4.097 9.628 1.00 1.05 C ATOM 1922 O TYR B 94 10.780 5.180 10.099 1.00 1.10 O ATOM 1923 CB TYR B 94 10.527 2.092 11.009 1.00 1.17 C ATOM 1924 CG TYR B 94 10.189 2.845 12.276 1.00 1.28 C ATOM 1925 CD1 TYR B 94 8.868 3.039 12.660 1.00 1.35 C ATOM 1926 CD2 TYR B 94 11.192 3.368 13.084 1.00 1.44 C ATOM 1927 CE1 TYR B 94 8.554 3.734 13.812 1.00 1.50 C ATOM 1928 CE2 TYR B 94 10.887 4.065 14.235 1.00 1.57 C ATOM 1929 CZ TYR B 94 9.567 4.245 14.597 1.00 1.57 C ATOM 1930 OH TYR B 94 9.260 4.946 15.742 1.00 1.76 O ATOM 0 H TYR B 94 10.758 1.100 8.752 1.00 0.93 H new ATOM 0 HA TYR B 94 9.186 3.215 9.772 1.00 1.04 H new ATOM 0 HB2 TYR B 94 9.970 1.155 10.994 1.00 1.17 H new ATOM 0 HB3 TYR B 94 11.586 1.833 11.022 1.00 1.17 H new ATOM 0 HD1 TYR B 94 8.073 2.640 12.048 1.00 1.35 H new ATOM 0 HD2 TYR B 94 12.226 3.227 12.806 1.00 1.44 H new ATOM 0 HE1 TYR B 94 7.522 3.876 14.096 1.00 1.50 H new ATOM 0 HE2 TYR B 94 11.678 4.468 14.850 1.00 1.57 H new ATOM 0 HH TYR B 94 10.087 5.236 16.180 1.00 1.76 H new ATOM 1940 N ASN B 95 12.291 3.909 9.010 1.00 1.03 N ATOM 1941 CA ASN B 95 13.262 4.985 8.819 1.00 1.08 C ATOM 1942 C ASN B 95 12.624 6.157 8.074 1.00 1.04 C ATOM 1943 O ASN B 95 12.644 7.293 8.547 1.00 1.12 O ATOM 1944 CB ASN B 95 14.473 4.465 8.032 1.00 1.08 C ATOM 1945 CG ASN B 95 15.414 5.571 7.586 1.00 1.09 C ATOM 1946 OD1 ASN B 95 15.672 6.525 8.322 1.00 1.22 O ATOM 1947 ND2 ASN B 95 15.933 5.448 6.374 1.00 1.47 N ATOM 0 H ASN B 95 12.587 3.011 8.628 1.00 1.03 H new ATOM 0 HA ASN B 95 13.592 5.332 9.798 1.00 1.08 H new ATOM 0 HB2 ASN B 95 15.023 3.756 8.650 1.00 1.08 H new ATOM 0 HB3 ASN B 95 14.122 3.919 7.156 1.00 1.08 H new ATOM 0 HD21 ASN B 95 16.572 6.159 6.018 1.00 1.47 H new ATOM 0 HD22 ASN B 95 15.694 4.642 5.796 1.00 1.47 H new ATOM 1954 N PHE B 96 12.038 5.867 6.919 1.00 0.93 N ATOM 1955 CA PHE B 96 11.394 6.901 6.117 1.00 0.91 C ATOM 1956 C PHE B 96 10.096 7.350 6.778 1.00 0.91 C ATOM 1957 O PHE B 96 9.700 8.514 6.677 1.00 0.92 O ATOM 1958 CB PHE B 96 11.116 6.384 4.701 1.00 0.88 C ATOM 1959 CG PHE B 96 10.690 7.459 3.741 1.00 0.97 C ATOM 1960 CD1 PHE B 96 11.599 8.404 3.296 1.00 1.16 C ATOM 1961 CD2 PHE B 96 9.384 7.525 3.288 1.00 0.99 C ATOM 1962 CE1 PHE B 96 11.212 9.396 2.416 1.00 1.32 C ATOM 1963 CE2 PHE B 96 8.990 8.513 2.408 1.00 1.19 C ATOM 1964 CZ PHE B 96 9.906 9.451 1.971 1.00 1.33 C ATOM 0 H PHE B 96 11.995 4.930 6.518 1.00 0.93 H new ATOM 0 HA PHE B 96 12.067 7.756 6.049 1.00 0.91 H new ATOM 0 HB2 PHE B 96 12.014 5.901 4.317 1.00 0.88 H new ATOM 0 HB3 PHE B 96 10.339 5.621 4.748 1.00 0.88 H new ATOM 0 HD1 PHE B 96 12.622 8.365 3.641 1.00 1.16 H new ATOM 0 HD2 PHE B 96 8.664 6.795 3.627 1.00 0.99 H new ATOM 0 HE1 PHE B 96 11.930 10.128 2.076 1.00 1.32 H new ATOM 0 HE2 PHE B 96 7.968 8.553 2.062 1.00 1.19 H new ATOM 0 HZ PHE B 96 9.601 10.225 1.283 1.00 1.33 H new ATOM 1974 N LEU B 97 9.454 6.420 7.472 1.00 0.93 N ATOM 1975 CA LEU B 97 8.197 6.684 8.157 1.00 1.00 C ATOM 1976 C LEU B 97 8.357 7.792 9.194 1.00 1.09 C ATOM 1977 O LEU B 97 7.622 8.777 9.170 1.00 1.10 O ATOM 1978 CB LEU B 97 7.690 5.413 8.836 1.00 1.06 C ATOM 1979 CG LEU B 97 6.172 5.236 8.842 1.00 1.28 C ATOM 1980 CD1 LEU B 97 5.681 4.766 7.480 1.00 1.30 C ATOM 1981 CD2 LEU B 97 5.762 4.256 9.926 1.00 1.48 C ATOM 0 H LEU B 97 9.790 5.462 7.576 1.00 0.93 H new ATOM 0 HA LEU B 97 7.472 7.011 7.412 1.00 1.00 H new ATOM 0 HB2 LEU B 97 8.138 4.552 8.339 1.00 1.06 H new ATOM 0 HB3 LEU B 97 8.044 5.406 9.867 1.00 1.06 H new ATOM 0 HG LEU B 97 5.711 6.201 9.054 1.00 1.28 H new ATOM 0 HD11 LEU B 97 4.598 4.646 7.505 1.00 1.30 H new ATOM 0 HD12 LEU B 97 5.947 5.504 6.723 1.00 1.30 H new ATOM 0 HD13 LEU B 97 6.146 3.811 7.235 1.00 1.30 H new ATOM 0 HD21 LEU B 97 4.678 4.139 9.920 1.00 1.48 H new ATOM 0 HD22 LEU B 97 6.232 3.290 9.740 1.00 1.48 H new ATOM 0 HD23 LEU B 97 6.080 4.634 10.898 1.00 1.48 H new ATOM 1993 N GLN B 98 9.325 7.636 10.095 1.00 1.19 N ATOM 1994 CA GLN B 98 9.554 8.635 11.139 1.00 1.31 C ATOM 1995 C GLN B 98 10.155 9.911 10.557 1.00 1.30 C ATOM 1996 O GLN B 98 9.972 10.997 11.103 1.00 1.39 O ATOM 1997 CB GLN B 98 10.459 8.079 12.245 1.00 1.43 C ATOM 1998 CG GLN B 98 11.850 7.693 11.775 1.00 2.02 C ATOM 1999 CD GLN B 98 12.844 7.579 12.919 1.00 2.69 C ATOM 2000 OE1 GLN B 98 14.045 7.782 12.735 1.00 2.73 O ATOM 2001 NE2 GLN B 98 12.353 7.260 14.108 1.00 3.60 N ATOM 0 H GLN B 98 9.958 6.837 10.125 1.00 1.19 H new ATOM 0 HA GLN B 98 8.586 8.880 11.576 1.00 1.31 H new ATOM 0 HB2 GLN B 98 10.548 8.825 13.035 1.00 1.43 H new ATOM 0 HB3 GLN B 98 9.980 7.204 12.685 1.00 1.43 H new ATOM 0 HG2 GLN B 98 11.800 6.741 11.247 1.00 2.02 H new ATOM 0 HG3 GLN B 98 12.207 8.435 11.061 1.00 2.02 H new ATOM 0 HE21 GLN B 98 11.352 7.100 14.220 1.00 3.60 H new ATOM 0 HE22 GLN B 98 12.976 7.175 14.911 1.00 3.60 H new ATOM 2010 N LYS B 99 10.859 9.777 9.440 1.00 1.21 N ATOM 2011 CA LYS B 99 11.482 10.919 8.784 1.00 1.23 C ATOM 2012 C LYS B 99 10.425 11.910 8.303 1.00 1.18 C ATOM 2013 O LYS B 99 10.526 13.116 8.546 1.00 1.22 O ATOM 2014 CB LYS B 99 12.335 10.453 7.595 1.00 1.19 C ATOM 2015 CG LYS B 99 12.858 11.589 6.727 1.00 1.18 C ATOM 2016 CD LYS B 99 13.254 11.097 5.343 1.00 1.26 C ATOM 2017 CE LYS B 99 13.599 12.245 4.404 1.00 1.39 C ATOM 2018 NZ LYS B 99 12.431 13.127 4.129 1.00 1.59 N ATOM 0 H LYS B 99 11.013 8.886 8.968 1.00 1.21 H new ATOM 0 HA LYS B 99 12.124 11.417 9.511 1.00 1.23 H new ATOM 0 HB2 LYS B 99 13.181 9.877 7.971 1.00 1.19 H new ATOM 0 HB3 LYS B 99 11.741 9.780 6.976 1.00 1.19 H new ATOM 0 HG2 LYS B 99 12.093 12.360 6.635 1.00 1.18 H new ATOM 0 HG3 LYS B 99 13.719 12.051 7.210 1.00 1.18 H new ATOM 0 HD2 LYS B 99 14.111 10.429 5.428 1.00 1.26 H new ATOM 0 HD3 LYS B 99 12.436 10.515 4.918 1.00 1.26 H new ATOM 0 HE2 LYS B 99 14.403 12.838 4.840 1.00 1.39 H new ATOM 0 HE3 LYS B 99 13.975 11.841 3.464 1.00 1.39 H new ATOM 0 HZ1 LYS B 99 12.461 13.444 3.139 1.00 1.59 H new ATOM 0 HZ2 LYS B 99 11.551 12.600 4.298 1.00 1.59 H new ATOM 0 HZ3 LYS B 99 12.465 13.954 4.758 1.00 1.59 H new ATOM 2032 N ASN B 100 9.402 11.396 7.640 1.00 1.12 N ATOM 2033 CA ASN B 100 8.340 12.242 7.105 1.00 1.11 C ATOM 2034 C ASN B 100 7.100 12.231 7.995 1.00 1.13 C ATOM 2035 O ASN B 100 6.047 12.741 7.608 1.00 1.12 O ATOM 2036 CB ASN B 100 7.981 11.796 5.687 1.00 1.07 C ATOM 2037 CG ASN B 100 8.867 12.449 4.640 1.00 1.32 C ATOM 2038 OD1 ASN B 100 9.947 11.950 4.321 1.00 1.75 O ATOM 2039 ND2 ASN B 100 8.418 13.572 4.104 1.00 1.49 N ATOM 0 H ASN B 100 9.282 10.400 7.458 1.00 1.12 H new ATOM 0 HA ASN B 100 8.712 13.266 7.079 1.00 1.11 H new ATOM 0 HB2 ASN B 100 8.073 10.712 5.614 1.00 1.07 H new ATOM 0 HB3 ASN B 100 6.939 12.042 5.483 1.00 1.07 H new ATOM 0 HD21 ASN B 100 8.972 14.058 3.399 1.00 1.49 H new ATOM 0 HD22 ASN B 100 7.518 13.952 4.396 1.00 1.49 H new ATOM 2046 N ASP B 101 7.242 11.654 9.185 1.00 1.19 N ATOM 2047 CA ASP B 101 6.147 11.574 10.156 1.00 1.24 C ATOM 2048 C ASP B 101 4.900 10.942 9.544 1.00 1.23 C ATOM 2049 O ASP B 101 3.829 11.549 9.516 1.00 1.33 O ATOM 2050 CB ASP B 101 5.818 12.963 10.716 1.00 1.27 C ATOM 2051 CG ASP B 101 6.540 13.244 12.014 1.00 1.36 C ATOM 2052 OD1 ASP B 101 6.202 12.604 13.033 1.00 1.79 O ATOM 2053 OD2 ASP B 101 7.444 14.107 12.023 1.00 1.84 O ATOM 0 H ASP B 101 8.113 11.230 9.505 1.00 1.19 H new ATOM 0 HA ASP B 101 6.480 10.934 10.973 1.00 1.24 H new ATOM 0 HB2 ASP B 101 6.088 13.722 9.981 1.00 1.27 H new ATOM 0 HB3 ASP B 101 4.743 13.042 10.876 1.00 1.27 H new ATOM 2058 N LEU B 102 5.050 9.726 9.045 1.00 1.15 N ATOM 2059 CA LEU B 102 3.942 9.010 8.436 1.00 1.17 C ATOM 2060 C LEU B 102 3.250 8.126 9.464 1.00 1.23 C ATOM 2061 O LEU B 102 3.852 7.739 10.467 1.00 1.28 O ATOM 2062 CB LEU B 102 4.434 8.168 7.259 1.00 1.11 C ATOM 2063 CG LEU B 102 4.074 8.709 5.874 1.00 1.26 C ATOM 2064 CD1 LEU B 102 4.599 10.125 5.690 1.00 1.96 C ATOM 2065 CD2 LEU B 102 4.626 7.801 4.788 1.00 1.50 C ATOM 0 H LEU B 102 5.932 9.213 9.050 1.00 1.15 H new ATOM 0 HA LEU B 102 3.222 9.740 8.065 1.00 1.17 H new ATOM 0 HB2 LEU B 102 5.518 8.078 7.326 1.00 1.11 H new ATOM 0 HB3 LEU B 102 4.024 7.163 7.356 1.00 1.11 H new ATOM 0 HG LEU B 102 2.987 8.733 5.794 1.00 1.26 H new ATOM 0 HD11 LEU B 102 4.330 10.487 4.698 1.00 1.96 H new ATOM 0 HD12 LEU B 102 4.160 10.777 6.445 1.00 1.96 H new ATOM 0 HD13 LEU B 102 5.684 10.127 5.795 1.00 1.96 H new ATOM 0 HD21 LEU B 102 4.360 8.201 3.809 1.00 1.50 H new ATOM 0 HD22 LEU B 102 5.711 7.747 4.876 1.00 1.50 H new ATOM 0 HD23 LEU B 102 4.203 6.803 4.899 1.00 1.50 H new ATOM 2077 N ASN B 103 1.985 7.821 9.211 1.00 1.25 N ATOM 2078 CA ASN B 103 1.194 6.990 10.114 1.00 1.31 C ATOM 2079 C ASN B 103 1.774 5.578 10.206 1.00 1.23 C ATOM 2080 O ASN B 103 2.079 4.966 9.183 1.00 1.14 O ATOM 2081 CB ASN B 103 -0.257 6.923 9.633 1.00 1.37 C ATOM 2082 CG ASN B 103 -1.193 6.366 10.690 1.00 1.43 C ATOM 2083 OD1 ASN B 103 -1.264 5.158 10.901 1.00 1.34 O ATOM 2084 ND2 ASN B 103 -1.925 7.248 11.356 1.00 1.84 N ATOM 0 H ASN B 103 1.480 8.138 8.383 1.00 1.25 H new ATOM 0 HA ASN B 103 1.225 7.442 11.105 1.00 1.31 H new ATOM 0 HB2 ASN B 103 -0.589 7.921 9.348 1.00 1.37 H new ATOM 0 HB3 ASN B 103 -0.312 6.302 8.739 1.00 1.37 H new ATOM 0 HD21 ASN B 103 -2.577 6.931 12.074 1.00 1.84 H new ATOM 0 HD22 ASN B 103 -1.836 8.243 11.151 1.00 1.84 H new ATOM 2091 N PRO B 104 1.932 5.047 11.434 1.00 1.29 N ATOM 2092 CA PRO B 104 2.478 3.699 11.664 1.00 1.25 C ATOM 2093 C PRO B 104 1.729 2.602 10.902 1.00 1.19 C ATOM 2094 O PRO B 104 2.296 1.554 10.591 1.00 1.15 O ATOM 2095 CB PRO B 104 2.317 3.500 13.171 1.00 1.34 C ATOM 2096 CG PRO B 104 2.305 4.878 13.731 1.00 1.55 C ATOM 2097 CD PRO B 104 1.618 5.730 12.705 1.00 1.41 C ATOM 0 HA PRO B 104 3.506 3.626 11.310 1.00 1.25 H new ATOM 0 HB2 PRO B 104 1.394 2.969 13.405 1.00 1.34 H new ATOM 0 HB3 PRO B 104 3.137 2.911 13.583 1.00 1.34 H new ATOM 0 HG2 PRO B 104 1.775 4.909 14.683 1.00 1.55 H new ATOM 0 HG3 PRO B 104 3.318 5.233 13.919 1.00 1.55 H new ATOM 0 HD2 PRO B 104 0.543 5.782 12.879 1.00 1.41 H new ATOM 0 HD3 PRO B 104 1.993 6.754 12.715 1.00 1.41 H new ATOM 2105 N MET B 105 0.460 2.845 10.590 1.00 1.21 N ATOM 2106 CA MET B 105 -0.345 1.868 9.861 1.00 1.20 C ATOM 2107 C MET B 105 0.137 1.736 8.414 1.00 1.13 C ATOM 2108 O MET B 105 -0.116 0.726 7.752 1.00 1.16 O ATOM 2109 CB MET B 105 -1.822 2.268 9.887 1.00 1.27 C ATOM 2110 CG MET B 105 -2.763 1.165 9.430 1.00 1.26 C ATOM 2111 SD MET B 105 -4.389 1.785 8.966 1.00 1.64 S ATOM 2112 CE MET B 105 -3.950 2.934 7.665 1.00 1.78 C ATOM 0 H MET B 105 -0.032 3.706 10.829 1.00 1.21 H new ATOM 0 HA MET B 105 -0.231 0.902 10.352 1.00 1.20 H new ATOM 0 HB2 MET B 105 -2.091 2.566 10.901 1.00 1.27 H new ATOM 0 HB3 MET B 105 -1.964 3.141 9.250 1.00 1.27 H new ATOM 0 HG2 MET B 105 -2.321 0.645 8.580 1.00 1.26 H new ATOM 0 HG3 MET B 105 -2.873 0.432 10.230 1.00 1.26 H new ATOM 0 HE1 MET B 105 -4.791 3.049 6.982 1.00 1.78 H new ATOM 0 HE2 MET B 105 -3.703 3.901 8.102 1.00 1.78 H new ATOM 0 HE3 MET B 105 -3.088 2.552 7.118 1.00 1.78 H new ATOM 2122 N PHE B 106 0.846 2.752 7.935 1.00 1.06 N ATOM 2123 CA PHE B 106 1.372 2.749 6.575 1.00 1.02 C ATOM 2124 C PHE B 106 2.653 1.925 6.499 1.00 0.94 C ATOM 2125 O PHE B 106 3.111 1.575 5.413 1.00 0.87 O ATOM 2126 CB PHE B 106 1.648 4.179 6.101 1.00 1.07 C ATOM 2127 CG PHE B 106 0.777 4.622 4.959 1.00 1.15 C ATOM 2128 CD1 PHE B 106 0.818 3.963 3.741 1.00 1.28 C ATOM 2129 CD2 PHE B 106 -0.076 5.704 5.101 1.00 1.30 C ATOM 2130 CE1 PHE B 106 0.024 4.371 2.687 1.00 1.47 C ATOM 2131 CE2 PHE B 106 -0.872 6.119 4.048 1.00 1.45 C ATOM 2132 CZ PHE B 106 -0.822 5.452 2.841 1.00 1.49 C ATOM 0 H PHE B 106 1.070 3.591 8.470 1.00 1.06 H new ATOM 0 HA PHE B 106 0.623 2.300 5.923 1.00 1.02 H new ATOM 0 HB2 PHE B 106 1.507 4.862 6.939 1.00 1.07 H new ATOM 0 HB3 PHE B 106 2.693 4.256 5.799 1.00 1.07 H new ATOM 0 HD1 PHE B 106 1.480 3.119 3.614 1.00 1.28 H new ATOM 0 HD2 PHE B 106 -0.120 6.229 6.044 1.00 1.30 H new ATOM 0 HE1 PHE B 106 0.065 3.846 1.744 1.00 1.47 H new ATOM 0 HE2 PHE B 106 -1.532 6.965 4.171 1.00 1.45 H new ATOM 0 HZ PHE B 106 -1.443 5.775 2.018 1.00 1.49 H new ATOM 2142 N LEU B 107 3.219 1.618 7.665 1.00 0.98 N ATOM 2143 CA LEU B 107 4.448 0.834 7.750 1.00 0.93 C ATOM 2144 C LEU B 107 4.265 -0.527 7.088 1.00 0.89 C ATOM 2145 O LEU B 107 5.118 -0.977 6.324 1.00 0.84 O ATOM 2146 CB LEU B 107 4.850 0.648 9.215 1.00 1.01 C ATOM 2147 CG LEU B 107 6.023 -0.303 9.467 1.00 0.95 C ATOM 2148 CD1 LEU B 107 7.343 0.447 9.404 1.00 0.94 C ATOM 2149 CD2 LEU B 107 5.859 -0.991 10.812 1.00 1.08 C ATOM 0 H LEU B 107 2.842 1.903 8.569 1.00 0.98 H new ATOM 0 HA LEU B 107 5.237 1.373 7.225 1.00 0.93 H new ATOM 0 HB2 LEU B 107 5.102 1.624 9.630 1.00 1.01 H new ATOM 0 HB3 LEU B 107 3.984 0.281 9.766 1.00 1.01 H new ATOM 0 HG LEU B 107 6.029 -1.064 8.687 1.00 0.95 H new ATOM 0 HD11 LEU B 107 8.164 -0.246 9.586 1.00 0.94 H new ATOM 0 HD12 LEU B 107 7.459 0.897 8.418 1.00 0.94 H new ATOM 0 HD13 LEU B 107 7.354 1.229 10.163 1.00 0.94 H new ATOM 0 HD21 LEU B 107 6.699 -1.665 10.981 1.00 1.08 H new ATOM 0 HD22 LEU B 107 5.831 -0.242 11.603 1.00 1.08 H new ATOM 0 HD23 LEU B 107 4.930 -1.561 10.818 1.00 1.08 H new ATOM 2161 N ASP B 108 3.139 -1.165 7.375 1.00 0.96 N ATOM 2162 CA ASP B 108 2.828 -2.476 6.809 1.00 0.96 C ATOM 2163 C ASP B 108 2.716 -2.400 5.287 1.00 0.90 C ATOM 2164 O ASP B 108 3.171 -3.297 4.582 1.00 0.88 O ATOM 2165 CB ASP B 108 1.524 -3.013 7.408 1.00 1.09 C ATOM 2166 CG ASP B 108 0.945 -4.177 6.622 1.00 1.08 C ATOM 2167 OD1 ASP B 108 1.426 -5.316 6.791 1.00 1.22 O ATOM 2168 OD2 ASP B 108 -0.003 -3.949 5.844 1.00 1.40 O ATOM 0 H ASP B 108 2.421 -0.796 7.999 1.00 0.96 H new ATOM 0 HA ASP B 108 3.641 -3.158 7.058 1.00 0.96 H new ATOM 0 HB2 ASP B 108 1.706 -3.330 8.435 1.00 1.09 H new ATOM 0 HB3 ASP B 108 0.790 -2.208 7.448 1.00 1.09 H new ATOM 2173 N GLN B 109 2.148 -1.306 4.793 1.00 0.91 N ATOM 2174 CA GLN B 109 1.966 -1.109 3.358 1.00 0.90 C ATOM 2175 C GLN B 109 3.300 -1.138 2.613 1.00 0.86 C ATOM 2176 O GLN B 109 3.444 -1.836 1.606 1.00 0.91 O ATOM 2177 CB GLN B 109 1.245 0.223 3.097 1.00 0.96 C ATOM 2178 CG GLN B 109 1.545 0.847 1.736 1.00 0.92 C ATOM 2179 CD GLN B 109 0.752 0.222 0.604 1.00 1.16 C ATOM 2180 OE1 GLN B 109 -0.327 0.696 0.252 1.00 1.34 O ATOM 2181 NE2 GLN B 109 1.281 -0.845 0.026 1.00 1.66 N ATOM 0 H GLN B 109 1.803 -0.537 5.368 1.00 0.91 H new ATOM 0 HA GLN B 109 1.357 -1.931 2.982 1.00 0.90 H new ATOM 0 HB2 GLN B 109 0.170 0.063 3.180 1.00 0.96 H new ATOM 0 HB3 GLN B 109 1.523 0.932 3.877 1.00 0.96 H new ATOM 0 HG2 GLN B 109 1.328 1.914 1.777 1.00 0.92 H new ATOM 0 HG3 GLN B 109 2.609 0.746 1.524 1.00 0.92 H new ATOM 0 HE21 GLN B 109 2.179 -1.207 0.348 1.00 1.66 H new ATOM 0 HE22 GLN B 109 0.791 -1.305 -0.741 1.00 1.66 H new ATOM 2190 N VAL B 110 4.273 -0.383 3.105 1.00 0.80 N ATOM 2191 CA VAL B 110 5.578 -0.324 2.463 1.00 0.79 C ATOM 2192 C VAL B 110 6.412 -1.565 2.777 1.00 0.76 C ATOM 2193 O VAL B 110 7.189 -2.023 1.940 1.00 0.79 O ATOM 2194 CB VAL B 110 6.363 0.952 2.853 1.00 0.80 C ATOM 2195 CG1 VAL B 110 5.870 2.147 2.049 1.00 0.91 C ATOM 2196 CG2 VAL B 110 6.248 1.235 4.341 1.00 0.75 C ATOM 0 H VAL B 110 4.184 0.194 3.942 1.00 0.80 H new ATOM 0 HA VAL B 110 5.391 -0.290 1.390 1.00 0.79 H new ATOM 0 HB VAL B 110 7.414 0.781 2.622 1.00 0.80 H new ATOM 0 HG11 VAL B 110 6.433 3.036 2.336 1.00 0.91 H new ATOM 0 HG12 VAL B 110 6.013 1.954 0.986 1.00 0.91 H new ATOM 0 HG13 VAL B 110 4.811 2.308 2.249 1.00 0.91 H new ATOM 0 HG21 VAL B 110 6.810 2.137 4.584 1.00 0.75 H new ATOM 0 HG22 VAL B 110 5.200 1.378 4.604 1.00 0.75 H new ATOM 0 HG23 VAL B 110 6.652 0.393 4.904 1.00 0.75 H new ATOM 2206 N ALA B 111 6.233 -2.119 3.971 1.00 0.75 N ATOM 2207 CA ALA B 111 6.977 -3.306 4.379 1.00 0.75 C ATOM 2208 C ALA B 111 6.537 -4.536 3.590 1.00 0.75 C ATOM 2209 O ALA B 111 7.373 -5.296 3.107 1.00 0.75 O ATOM 2210 CB ALA B 111 6.820 -3.552 5.874 1.00 0.77 C ATOM 0 H ALA B 111 5.581 -1.767 4.672 1.00 0.75 H new ATOM 0 HA ALA B 111 8.030 -3.126 4.163 1.00 0.75 H new ATOM 0 HB1 ALA B 111 7.382 -4.442 6.157 1.00 0.77 H new ATOM 0 HB2 ALA B 111 7.199 -2.692 6.426 1.00 0.77 H new ATOM 0 HB3 ALA B 111 5.766 -3.699 6.110 1.00 0.77 H new ATOM 2216 N LYS B 112 5.224 -4.717 3.453 1.00 0.76 N ATOM 2217 CA LYS B 112 4.670 -5.859 2.728 1.00 0.77 C ATOM 2218 C LYS B 112 5.211 -5.936 1.306 1.00 0.78 C ATOM 2219 O LYS B 112 5.526 -7.018 0.813 1.00 0.83 O ATOM 2220 CB LYS B 112 3.142 -5.794 2.692 1.00 0.80 C ATOM 2221 CG LYS B 112 2.472 -6.327 3.949 1.00 0.85 C ATOM 2222 CD LYS B 112 2.903 -7.752 4.253 1.00 0.93 C ATOM 2223 CE LYS B 112 1.852 -8.491 5.065 1.00 1.04 C ATOM 2224 NZ LYS B 112 1.637 -7.876 6.403 1.00 1.14 N ATOM 0 H LYS B 112 4.522 -4.084 3.836 1.00 0.76 H new ATOM 0 HA LYS B 112 4.977 -6.757 3.264 1.00 0.77 H new ATOM 0 HB2 LYS B 112 2.836 -4.759 2.540 1.00 0.80 H new ATOM 0 HB3 LYS B 112 2.784 -6.362 1.833 1.00 0.80 H new ATOM 0 HG2 LYS B 112 2.719 -5.684 4.794 1.00 0.85 H new ATOM 0 HG3 LYS B 112 1.389 -6.292 3.827 1.00 0.85 H new ATOM 0 HD2 LYS B 112 3.084 -8.285 3.320 1.00 0.93 H new ATOM 0 HD3 LYS B 112 3.845 -7.739 4.801 1.00 0.93 H new ATOM 0 HE2 LYS B 112 0.911 -8.499 4.516 1.00 1.04 H new ATOM 0 HE3 LYS B 112 2.157 -9.530 5.190 1.00 1.04 H new ATOM 0 HZ1 LYS B 112 0.659 -8.049 6.711 1.00 1.14 H new ATOM 0 HZ2 LYS B 112 2.296 -8.297 7.089 1.00 1.14 H new ATOM 0 HZ3 LYS B 112 1.806 -6.851 6.345 1.00 1.14 H new ATOM 2238 N PHE B 113 5.322 -4.781 0.656 1.00 0.78 N ATOM 2239 CA PHE B 113 5.827 -4.724 -0.709 1.00 0.83 C ATOM 2240 C PHE B 113 7.270 -5.210 -0.752 1.00 0.84 C ATOM 2241 O PHE B 113 7.630 -6.041 -1.583 1.00 0.95 O ATOM 2242 CB PHE B 113 5.733 -3.297 -1.262 1.00 0.87 C ATOM 2243 CG PHE B 113 6.010 -3.206 -2.737 1.00 1.11 C ATOM 2244 CD1 PHE B 113 5.178 -3.834 -3.648 1.00 1.76 C ATOM 2245 CD2 PHE B 113 7.102 -2.498 -3.210 1.00 1.29 C ATOM 2246 CE1 PHE B 113 5.426 -3.755 -5.004 1.00 2.06 C ATOM 2247 CE2 PHE B 113 7.357 -2.418 -4.566 1.00 1.57 C ATOM 2248 CZ PHE B 113 6.517 -3.047 -5.464 1.00 1.78 C ATOM 0 H PHE B 113 5.070 -3.876 1.052 1.00 0.78 H new ATOM 0 HA PHE B 113 5.214 -5.375 -1.332 1.00 0.83 H new ATOM 0 HB2 PHE B 113 4.736 -2.903 -1.063 1.00 0.87 H new ATOM 0 HB3 PHE B 113 6.439 -2.662 -0.728 1.00 0.87 H new ATOM 0 HD1 PHE B 113 4.324 -4.393 -3.294 1.00 1.76 H new ATOM 0 HD2 PHE B 113 7.761 -2.003 -2.512 1.00 1.29 H new ATOM 0 HE1 PHE B 113 4.767 -4.247 -5.704 1.00 2.06 H new ATOM 0 HE2 PHE B 113 8.213 -1.864 -4.923 1.00 1.57 H new ATOM 0 HZ PHE B 113 6.714 -2.985 -6.524 1.00 1.78 H new ATOM 2258 N ILE B 114 8.082 -4.698 0.168 1.00 0.75 N ATOM 2259 CA ILE B 114 9.486 -5.080 0.249 1.00 0.79 C ATOM 2260 C ILE B 114 9.621 -6.572 0.547 1.00 0.85 C ATOM 2261 O ILE B 114 10.473 -7.255 -0.024 1.00 0.93 O ATOM 2262 CB ILE B 114 10.226 -4.268 1.340 1.00 0.76 C ATOM 2263 CG1 ILE B 114 10.234 -2.779 0.987 1.00 0.72 C ATOM 2264 CG2 ILE B 114 11.650 -4.778 1.518 1.00 0.89 C ATOM 2265 CD1 ILE B 114 10.844 -1.905 2.066 1.00 0.69 C ATOM 0 H ILE B 114 7.790 -4.016 0.869 1.00 0.75 H new ATOM 0 HA ILE B 114 9.941 -4.862 -0.717 1.00 0.79 H new ATOM 0 HB ILE B 114 9.694 -4.399 2.282 1.00 0.76 H new ATOM 0 HG12 ILE B 114 10.788 -2.637 0.059 1.00 0.72 H new ATOM 0 HG13 ILE B 114 9.211 -2.452 0.801 1.00 0.72 H new ATOM 0 HG21 ILE B 114 12.152 -4.194 2.289 1.00 0.89 H new ATOM 0 HG22 ILE B 114 11.627 -5.827 1.815 1.00 0.89 H new ATOM 0 HG23 ILE B 114 12.192 -4.679 0.578 1.00 0.89 H new ATOM 0 HD11 ILE B 114 10.817 -0.863 1.749 1.00 0.69 H new ATOM 0 HD12 ILE B 114 10.277 -2.018 2.990 1.00 0.69 H new ATOM 0 HD13 ILE B 114 11.878 -2.205 2.236 1.00 0.69 H new ATOM 2277 N ILE B 115 8.754 -7.071 1.423 1.00 0.84 N ATOM 2278 CA ILE B 115 8.762 -8.475 1.813 1.00 0.90 C ATOM 2279 C ILE B 115 8.677 -9.403 0.601 1.00 0.98 C ATOM 2280 O ILE B 115 9.503 -10.303 0.455 1.00 1.05 O ATOM 2281 CB ILE B 115 7.609 -8.793 2.798 1.00 0.89 C ATOM 2282 CG1 ILE B 115 7.919 -8.207 4.180 1.00 0.91 C ATOM 2283 CG2 ILE B 115 7.368 -10.296 2.898 1.00 0.95 C ATOM 2284 CD1 ILE B 115 6.803 -8.394 5.185 1.00 0.95 C ATOM 0 H ILE B 115 8.030 -6.516 1.880 1.00 0.84 H new ATOM 0 HA ILE B 115 9.713 -8.654 2.315 1.00 0.90 H new ATOM 0 HB ILE B 115 6.698 -8.333 2.415 1.00 0.89 H new ATOM 0 HG12 ILE B 115 8.826 -8.672 4.567 1.00 0.91 H new ATOM 0 HG13 ILE B 115 8.127 -7.142 4.075 1.00 0.91 H new ATOM 0 HG21 ILE B 115 6.553 -10.488 3.596 1.00 0.95 H new ATOM 0 HG22 ILE B 115 7.104 -10.688 1.916 1.00 0.95 H new ATOM 0 HG23 ILE B 115 8.274 -10.787 3.253 1.00 0.95 H new ATOM 0 HD11 ILE B 115 7.095 -7.954 6.139 1.00 0.95 H new ATOM 0 HD12 ILE B 115 5.900 -7.905 4.821 1.00 0.95 H new ATOM 0 HD13 ILE B 115 6.610 -9.458 5.320 1.00 0.95 H new ATOM 2296 N ASP B 116 7.704 -9.176 -0.282 1.00 1.03 N ATOM 2297 CA ASP B 116 7.553 -10.032 -1.458 1.00 1.15 C ATOM 2298 C ASP B 116 8.556 -9.664 -2.542 1.00 1.08 C ATOM 2299 O ASP B 116 8.947 -10.511 -3.347 1.00 1.16 O ATOM 2300 CB ASP B 116 6.136 -9.973 -2.019 1.00 1.29 C ATOM 2301 CG ASP B 116 5.733 -11.298 -2.641 1.00 1.56 C ATOM 2302 OD1 ASP B 116 6.157 -11.588 -3.781 1.00 1.57 O ATOM 2303 OD2 ASP B 116 5.007 -12.068 -1.973 1.00 2.13 O ATOM 0 H ASP B 116 7.021 -8.422 -0.208 1.00 1.03 H new ATOM 0 HA ASP B 116 7.750 -11.053 -1.133 1.00 1.15 H new ATOM 0 HB2 ASP B 116 5.438 -9.715 -1.223 1.00 1.29 H new ATOM 0 HB3 ASP B 116 6.071 -9.183 -2.767 1.00 1.29 H new ATOM 2308 N ASN B 117 8.974 -8.403 -2.550 1.00 0.95 N ATOM 2309 CA ASN B 117 9.947 -7.910 -3.525 1.00 0.93 C ATOM 2310 C ASN B 117 11.203 -8.777 -3.513 1.00 0.95 C ATOM 2311 O ASN B 117 11.701 -9.184 -4.561 1.00 1.00 O ATOM 2312 CB ASN B 117 10.303 -6.449 -3.218 1.00 0.97 C ATOM 2313 CG ASN B 117 11.589 -5.989 -3.884 1.00 1.17 C ATOM 2314 OD1 ASN B 117 11.588 -5.554 -5.034 1.00 1.29 O ATOM 2315 ND2 ASN B 117 12.695 -6.067 -3.157 1.00 1.38 N ATOM 0 H ASN B 117 8.653 -7.697 -1.888 1.00 0.95 H new ATOM 0 HA ASN B 117 9.504 -7.963 -4.519 1.00 0.93 H new ATOM 0 HB2 ASN B 117 9.484 -5.807 -3.543 1.00 0.97 H new ATOM 0 HB3 ASN B 117 10.396 -6.324 -2.139 1.00 0.97 H new ATOM 0 HD21 ASN B 117 13.585 -5.760 -3.549 1.00 1.38 H new ATOM 0 HD22 ASN B 117 12.655 -6.434 -2.206 1.00 1.38 H new ATOM 2322 N THR B 118 11.700 -9.070 -2.320 1.00 1.00 N ATOM 2323 CA THR B 118 12.887 -9.894 -2.174 1.00 1.12 C ATOM 2324 C THR B 118 12.517 -11.344 -1.853 1.00 1.21 C ATOM 2325 O THR B 118 13.380 -12.164 -1.540 1.00 1.37 O ATOM 2326 CB THR B 118 13.815 -9.331 -1.083 1.00 1.19 C ATOM 2327 OG1 THR B 118 13.144 -8.283 -0.372 1.00 1.29 O ATOM 2328 CG2 THR B 118 15.098 -8.789 -1.692 1.00 1.57 C ATOM 0 H THR B 118 11.298 -8.748 -1.440 1.00 1.00 H new ATOM 0 HA THR B 118 13.418 -9.877 -3.126 1.00 1.12 H new ATOM 0 HB THR B 118 14.069 -10.139 -0.397 1.00 1.19 H new ATOM 0 HG1 THR B 118 13.737 -7.928 0.323 1.00 1.29 H new ATOM 0 HG21 THR B 118 15.738 -8.396 -0.902 1.00 1.57 H new ATOM 0 HG22 THR B 118 15.619 -9.590 -2.216 1.00 1.57 H new ATOM 0 HG23 THR B 118 14.858 -7.991 -2.395 1.00 1.57 H new ATOM 2336 N LYS B 119 11.228 -11.650 -1.943 1.00 1.22 N ATOM 2337 CA LYS B 119 10.736 -12.998 -1.678 1.00 1.37 C ATOM 2338 C LYS B 119 10.574 -13.749 -2.994 1.00 1.41 C ATOM 2339 O LYS B 119 10.823 -14.953 -3.078 1.00 1.65 O ATOM 2340 CB LYS B 119 9.397 -12.934 -0.943 1.00 1.44 C ATOM 2341 CG LYS B 119 9.182 -14.052 0.066 1.00 1.57 C ATOM 2342 CD LYS B 119 7.943 -13.798 0.915 1.00 1.83 C ATOM 2343 CE LYS B 119 6.669 -13.999 0.112 1.00 1.82 C ATOM 2344 NZ LYS B 119 5.618 -13.005 0.458 1.00 1.87 N ATOM 0 H LYS B 119 10.502 -10.981 -2.198 1.00 1.22 H new ATOM 0 HA LYS B 119 11.454 -13.524 -1.049 1.00 1.37 H new ATOM 0 HB2 LYS B 119 9.324 -11.976 -0.427 1.00 1.44 H new ATOM 0 HB3 LYS B 119 8.591 -12.963 -1.677 1.00 1.44 H new ATOM 0 HG2 LYS B 119 9.079 -15.003 -0.457 1.00 1.57 H new ATOM 0 HG3 LYS B 119 10.057 -14.136 0.711 1.00 1.57 H new ATOM 0 HD2 LYS B 119 7.944 -14.471 1.773 1.00 1.83 H new ATOM 0 HD3 LYS B 119 7.971 -12.781 1.307 1.00 1.83 H new ATOM 0 HE2 LYS B 119 6.898 -13.927 -0.951 1.00 1.82 H new ATOM 0 HE3 LYS B 119 6.287 -15.004 0.288 1.00 1.82 H new ATOM 0 HZ1 LYS B 119 4.736 -13.501 0.699 1.00 1.87 H new ATOM 0 HZ2 LYS B 119 5.930 -12.439 1.273 1.00 1.87 H new ATOM 0 HZ3 LYS B 119 5.451 -12.378 -0.355 1.00 1.87 H new ATOM 2358 N GLY B 120 10.144 -13.021 -4.017 1.00 1.52 N ATOM 2359 CA GLY B 120 9.965 -13.605 -5.328 1.00 1.69 C ATOM 2360 C GLY B 120 8.769 -14.529 -5.411 1.00 1.69 C ATOM 2361 O GLY B 120 8.870 -15.635 -5.947 1.00 2.16 O ATOM 0 H GLY B 120 9.915 -12.029 -3.958 1.00 1.52 H new ATOM 0 HA2 GLY B 120 9.851 -12.807 -6.062 1.00 1.69 H new ATOM 0 HA3 GLY B 120 10.864 -14.160 -5.597 1.00 1.69 H new ATOM 2365 N GLN B 121 7.632 -14.084 -4.884 1.00 1.54 N ATOM 2366 CA GLN B 121 6.419 -14.890 -4.914 1.00 1.83 C ATOM 2367 C GLN B 121 5.426 -14.334 -5.923 1.00 1.53 C ATOM 2368 O GLN B 121 4.964 -15.049 -6.809 1.00 1.76 O ATOM 2369 CB GLN B 121 5.777 -14.955 -3.528 1.00 2.41 C ATOM 2370 CG GLN B 121 6.381 -16.019 -2.627 1.00 3.25 C ATOM 2371 CD GLN B 121 6.174 -17.426 -3.155 1.00 3.93 C ATOM 2372 OE1 GLN B 121 7.016 -18.302 -2.959 1.00 4.44 O ATOM 2373 NE2 GLN B 121 5.046 -17.657 -3.812 1.00 4.31 N ATOM 0 H GLN B 121 7.527 -13.175 -4.434 1.00 1.54 H new ATOM 0 HA GLN B 121 6.696 -15.900 -5.218 1.00 1.83 H new ATOM 0 HB2 GLN B 121 5.876 -13.983 -3.045 1.00 2.41 H new ATOM 0 HB3 GLN B 121 4.710 -15.148 -3.640 1.00 2.41 H new ATOM 0 HG2 GLN B 121 7.449 -15.831 -2.517 1.00 3.25 H new ATOM 0 HG3 GLN B 121 5.939 -15.940 -1.634 1.00 3.25 H new ATOM 0 HE21 GLN B 121 4.374 -16.903 -3.953 1.00 4.31 H new ATOM 0 HE22 GLN B 121 4.850 -18.589 -4.177 1.00 4.31 H new ATOM 2382 N MET B 122 5.099 -13.059 -5.790 1.00 1.52 N ATOM 2383 CA MET B 122 4.164 -12.422 -6.700 1.00 1.72 C ATOM 2384 C MET B 122 4.804 -12.222 -8.068 1.00 1.91 C ATOM 2385 O MET B 122 4.121 -12.187 -9.091 1.00 2.38 O ATOM 2386 CB MET B 122 3.697 -11.081 -6.135 1.00 2.18 C ATOM 2387 CG MET B 122 2.546 -10.466 -6.912 1.00 2.58 C ATOM 2388 SD MET B 122 0.979 -11.320 -6.638 1.00 3.62 S ATOM 2389 CE MET B 122 0.114 -10.942 -8.161 1.00 3.50 C ATOM 0 H MET B 122 5.467 -12.447 -5.062 1.00 1.52 H new ATOM 0 HA MET B 122 3.297 -13.073 -6.813 1.00 1.72 H new ATOM 0 HB2 MET B 122 3.392 -11.219 -5.098 1.00 2.18 H new ATOM 0 HB3 MET B 122 4.536 -10.385 -6.131 1.00 2.18 H new ATOM 0 HG2 MET B 122 2.439 -9.420 -6.626 1.00 2.58 H new ATOM 0 HG3 MET B 122 2.782 -10.483 -7.976 1.00 2.58 H new ATOM 0 HE1 MET B 122 -0.940 -10.766 -7.947 1.00 3.50 H new ATOM 0 HE2 MET B 122 0.546 -10.049 -8.613 1.00 3.50 H new ATOM 0 HE3 MET B 122 0.209 -11.781 -8.851 1.00 3.50 H new