USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 841 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 THR OG1 : rot 23:sc= 1.53 USER MOD Set 1.2: A 66 CYS SG : rot -117:sc= 0.994 USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.0876 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0036 USER MOD Single : A 6 SER OG : rot 40:sc= 1.27 USER MOD Single : A 8 MET CE :methyl 140:sc= -0.175 (180deg=-0.879) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 173:sc= -2.76 (180deg=-2.94!) USER MOD Single : A 26 SER OG : rot 89:sc= 0.906 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.0817 K(o=-0.082,f=-0.6) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 77:sc= 0.133 USER MOD Single : A 44 GLN : amide:sc= -0.243 K(o=-0.24,f=-2.5!) USER MOD Single : A 45 MET CE :methyl 165:sc= -10.1! (180deg=-12.2!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 170:sc= -1.93 USER MOD Single : A 53 THR OG1 : rot -22:sc= -0.0171 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS :FLIP no HD1:sc= -1.27 F(o=-3!,f=-1.3) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 82:sc= 0.0694 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.0169 K(o=-0.017,f=-1.2) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -62:sc= 0.183 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 23:sc= 1.09 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.321 -0.591 -20.507 1.00 0.00 N ATOM 2 CA GLY A 1 -7.954 -1.734 -19.870 1.00 0.00 C ATOM 3 C GLY A 1 -7.966 -1.576 -18.348 1.00 0.00 C ATOM 4 O GLY A 1 -7.753 -0.480 -17.833 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.847 -0.337 -21.367 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.321 0.216 -19.851 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.341 -0.833 -20.759 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.975 -1.840 -20.236 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.422 -2.646 -20.140 1.00 0.00 H new ATOM 8 N SER A 2 -8.219 -2.687 -17.672 1.00 0.00 N ATOM 9 CA SER A 2 -8.262 -2.686 -16.220 1.00 0.00 C ATOM 10 C SER A 2 -9.373 -1.754 -15.730 1.00 0.00 C ATOM 11 O SER A 2 -9.232 -0.533 -15.782 1.00 0.00 O ATOM 12 CB SER A 2 -6.916 -2.263 -15.629 1.00 0.00 C ATOM 13 OG SER A 2 -5.938 -3.293 -15.739 1.00 0.00 O ATOM 0 H SER A 2 -8.396 -3.594 -18.103 1.00 0.00 H new ATOM 0 HA SER A 2 -8.473 -3.701 -15.884 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.560 -1.369 -16.141 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.048 -1.999 -14.580 1.00 0.00 H new ATOM 0 HG SER A 2 -5.092 -2.984 -15.352 1.00 0.00 H new ATOM 19 N SER A 3 -10.453 -2.366 -15.266 1.00 0.00 N ATOM 20 CA SER A 3 -11.587 -1.606 -14.768 1.00 0.00 C ATOM 21 C SER A 3 -12.123 -2.247 -13.486 1.00 0.00 C ATOM 22 O SER A 3 -12.137 -1.616 -12.431 1.00 0.00 O ATOM 23 CB SER A 3 -12.694 -1.516 -15.820 1.00 0.00 C ATOM 24 OG SER A 3 -13.196 -0.188 -15.954 1.00 0.00 O ATOM 0 H SER A 3 -10.567 -3.379 -15.224 1.00 0.00 H new ATOM 0 HA SER A 3 -11.250 -0.593 -14.547 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.309 -1.857 -16.781 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.509 -2.186 -15.547 1.00 0.00 H new ATOM 0 HG SER A 3 -13.900 -0.172 -16.636 1.00 0.00 H new ATOM 30 N GLY A 4 -12.552 -3.494 -13.621 1.00 0.00 N ATOM 31 CA GLY A 4 -13.088 -4.227 -12.487 1.00 0.00 C ATOM 32 C GLY A 4 -14.611 -4.098 -12.421 1.00 0.00 C ATOM 33 O GLY A 4 -15.134 -3.183 -11.787 1.00 0.00 O ATOM 0 H GLY A 4 -12.539 -4.015 -14.498 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.812 -5.278 -12.566 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.647 -3.850 -11.564 1.00 0.00 H new ATOM 37 N SER A 5 -15.281 -5.029 -13.085 1.00 0.00 N ATOM 38 CA SER A 5 -16.734 -5.031 -13.110 1.00 0.00 C ATOM 39 C SER A 5 -17.281 -5.344 -11.715 1.00 0.00 C ATOM 40 O SER A 5 -18.042 -4.558 -11.153 1.00 0.00 O ATOM 41 CB SER A 5 -17.266 -6.043 -14.127 1.00 0.00 C ATOM 42 OG SER A 5 -16.621 -7.308 -14.010 1.00 0.00 O ATOM 0 H SER A 5 -14.844 -5.787 -13.610 1.00 0.00 H new ATOM 0 HA SER A 5 -17.072 -4.040 -13.413 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.339 -6.169 -13.985 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.121 -5.654 -15.135 1.00 0.00 H new ATOM 0 HG SER A 5 -16.990 -7.926 -14.675 1.00 0.00 H new ATOM 48 N SER A 6 -16.871 -6.493 -11.198 1.00 0.00 N ATOM 49 CA SER A 6 -17.311 -6.919 -9.880 1.00 0.00 C ATOM 50 C SER A 6 -16.612 -8.223 -9.492 1.00 0.00 C ATOM 51 O SER A 6 -16.915 -9.282 -10.040 1.00 0.00 O ATOM 52 CB SER A 6 -18.830 -7.098 -9.837 1.00 0.00 C ATOM 53 OG SER A 6 -19.500 -5.890 -9.488 1.00 0.00 O ATOM 0 H SER A 6 -16.239 -7.142 -11.668 1.00 0.00 H new ATOM 0 HA SER A 6 -17.044 -6.143 -9.163 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.182 -7.440 -10.810 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.083 -7.875 -9.115 1.00 0.00 H new ATOM 0 HG SER A 6 -19.063 -5.134 -9.932 1.00 0.00 H new ATOM 59 N GLY A 7 -15.689 -8.105 -8.548 1.00 0.00 N ATOM 60 CA GLY A 7 -14.944 -9.261 -8.080 1.00 0.00 C ATOM 61 C GLY A 7 -14.513 -9.082 -6.623 1.00 0.00 C ATOM 62 O GLY A 7 -14.526 -7.969 -6.100 1.00 0.00 O ATOM 0 H GLY A 7 -15.440 -7.226 -8.095 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.558 -10.156 -8.174 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.065 -9.410 -8.707 1.00 0.00 H new ATOM 66 N MET A 8 -14.142 -10.196 -6.008 1.00 0.00 N ATOM 67 CA MET A 8 -13.707 -10.176 -4.622 1.00 0.00 C ATOM 68 C MET A 8 -12.287 -10.729 -4.484 1.00 0.00 C ATOM 69 O MET A 8 -12.079 -11.939 -4.551 1.00 0.00 O ATOM 70 CB MET A 8 -14.666 -11.014 -3.774 1.00 0.00 C ATOM 71 CG MET A 8 -14.495 -10.706 -2.286 1.00 0.00 C ATOM 72 SD MET A 8 -15.274 -9.149 -1.892 1.00 0.00 S ATOM 73 CE MET A 8 -13.828 -8.122 -1.689 1.00 0.00 C ATOM 0 H MET A 8 -14.134 -11.118 -6.444 1.00 0.00 H new ATOM 0 HA MET A 8 -13.709 -9.143 -4.275 1.00 0.00 H new ATOM 0 HB2 MET A 8 -15.694 -10.812 -4.075 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.484 -12.074 -3.953 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.935 -11.504 -1.688 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.435 -10.666 -2.034 1.00 0.00 H new ATOM 0 HE1 MET A 8 -14.013 -7.142 -2.129 1.00 0.00 H new ATOM 0 HE2 MET A 8 -13.609 -8.007 -0.627 1.00 0.00 H new ATOM 0 HE3 MET A 8 -12.978 -8.588 -2.186 1.00 0.00 H new ATOM 83 N GLY A 9 -11.347 -9.815 -4.295 1.00 0.00 N ATOM 84 CA GLY A 9 -9.952 -10.196 -4.147 1.00 0.00 C ATOM 85 C GLY A 9 -9.119 -9.029 -3.614 1.00 0.00 C ATOM 86 O GLY A 9 -9.657 -7.966 -3.308 1.00 0.00 O ATOM 0 H GLY A 9 -11.523 -8.812 -4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.873 -11.044 -3.467 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.556 -10.521 -5.109 1.00 0.00 H new ATOM 90 N LEU A 10 -7.819 -9.267 -3.518 1.00 0.00 N ATOM 91 CA LEU A 10 -6.906 -8.249 -3.027 1.00 0.00 C ATOM 92 C LEU A 10 -6.480 -7.349 -4.188 1.00 0.00 C ATOM 93 O LEU A 10 -6.721 -6.143 -4.164 1.00 0.00 O ATOM 94 CB LEU A 10 -5.732 -8.894 -2.287 1.00 0.00 C ATOM 95 CG LEU A 10 -4.703 -7.931 -1.693 1.00 0.00 C ATOM 96 CD1 LEU A 10 -4.973 -7.687 -0.207 1.00 0.00 C ATOM 97 CD2 LEU A 10 -3.278 -8.429 -1.943 1.00 0.00 C ATOM 0 H LEU A 10 -7.376 -10.150 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.404 -7.612 -2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.131 -9.510 -1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.218 -9.564 -2.976 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.802 -6.971 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.227 -6.999 0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.966 -7.256 -0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.918 -8.632 0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.566 -7.726 -1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.148 -9.408 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.103 -8.509 -3.016 1.00 0.00 H new ATOM 109 N GLU A 11 -5.854 -7.969 -5.178 1.00 0.00 N ATOM 110 CA GLU A 11 -5.393 -7.239 -6.346 1.00 0.00 C ATOM 111 C GLU A 11 -6.439 -6.210 -6.776 1.00 0.00 C ATOM 112 O GLU A 11 -6.157 -5.013 -6.819 1.00 0.00 O ATOM 113 CB GLU A 11 -5.059 -8.195 -7.493 1.00 0.00 C ATOM 114 CG GLU A 11 -4.460 -7.438 -8.681 1.00 0.00 C ATOM 115 CD GLU A 11 -3.991 -8.407 -9.768 1.00 0.00 C ATOM 116 OE1 GLU A 11 -3.293 -9.377 -9.401 1.00 0.00 O ATOM 117 OE2 GLU A 11 -4.341 -8.156 -10.941 1.00 0.00 O ATOM 0 H GLU A 11 -5.655 -8.969 -5.195 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.478 -6.708 -6.081 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.355 -8.952 -7.147 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.961 -8.719 -7.809 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.203 -6.755 -9.093 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.620 -6.830 -8.344 1.00 0.00 H new ATOM 124 N GLU A 12 -7.626 -6.712 -7.084 1.00 0.00 N ATOM 125 CA GLU A 12 -8.716 -5.851 -7.509 1.00 0.00 C ATOM 126 C GLU A 12 -8.908 -4.706 -6.512 1.00 0.00 C ATOM 127 O GLU A 12 -9.086 -3.556 -6.909 1.00 0.00 O ATOM 128 CB GLU A 12 -10.010 -6.650 -7.683 1.00 0.00 C ATOM 129 CG GLU A 12 -10.273 -6.951 -9.160 1.00 0.00 C ATOM 130 CD GLU A 12 -11.363 -6.035 -9.721 1.00 0.00 C ATOM 131 OE1 GLU A 12 -11.005 -4.908 -10.124 1.00 0.00 O ATOM 132 OE2 GLU A 12 -12.530 -6.484 -9.733 1.00 0.00 O ATOM 0 H GLU A 12 -7.857 -7.705 -7.048 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.459 -5.423 -8.478 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.943 -7.583 -7.124 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.847 -6.089 -7.268 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.354 -6.820 -9.731 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.574 -7.992 -9.275 1.00 0.00 H new ATOM 139 N GLU A 13 -8.867 -5.062 -5.237 1.00 0.00 N ATOM 140 CA GLU A 13 -9.034 -4.079 -4.180 1.00 0.00 C ATOM 141 C GLU A 13 -7.870 -3.086 -4.190 1.00 0.00 C ATOM 142 O GLU A 13 -8.082 -1.875 -4.133 1.00 0.00 O ATOM 143 CB GLU A 13 -9.164 -4.758 -2.815 1.00 0.00 C ATOM 144 CG GLU A 13 -8.718 -3.819 -1.691 1.00 0.00 C ATOM 145 CD GLU A 13 -9.651 -2.611 -1.584 1.00 0.00 C ATOM 146 OE1 GLU A 13 -9.957 -2.034 -2.650 1.00 0.00 O ATOM 147 OE2 GLU A 13 -10.037 -2.292 -0.439 1.00 0.00 O ATOM 0 H GLU A 13 -8.721 -6.018 -4.912 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.957 -3.529 -4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.198 -5.060 -2.652 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.560 -5.665 -2.797 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.706 -4.359 -0.744 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.699 -3.481 -1.878 1.00 0.00 H new ATOM 154 N LEU A 14 -6.666 -3.634 -4.262 1.00 0.00 N ATOM 155 CA LEU A 14 -5.469 -2.811 -4.280 1.00 0.00 C ATOM 156 C LEU A 14 -5.558 -1.814 -5.437 1.00 0.00 C ATOM 157 O LEU A 14 -5.130 -0.668 -5.308 1.00 0.00 O ATOM 158 CB LEU A 14 -4.216 -3.689 -4.320 1.00 0.00 C ATOM 159 CG LEU A 14 -3.931 -4.509 -3.061 1.00 0.00 C ATOM 160 CD1 LEU A 14 -3.011 -5.691 -3.372 1.00 0.00 C ATOM 161 CD2 LEU A 14 -3.371 -3.624 -1.945 1.00 0.00 C ATOM 0 H LEU A 14 -6.494 -4.638 -4.309 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.393 -2.228 -3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.303 -4.374 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.355 -3.050 -4.516 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.874 -4.922 -2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.825 -6.257 -2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.486 -6.338 -4.109 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.066 -5.322 -3.769 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.177 -4.232 -1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.442 -3.162 -2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.095 -2.847 -1.699 1.00 0.00 H new ATOM 173 N LEU A 15 -6.116 -2.286 -6.542 1.00 0.00 N ATOM 174 CA LEU A 15 -6.267 -1.450 -7.721 1.00 0.00 C ATOM 175 C LEU A 15 -7.097 -0.216 -7.362 1.00 0.00 C ATOM 176 O LEU A 15 -6.594 0.906 -7.398 1.00 0.00 O ATOM 177 CB LEU A 15 -6.842 -2.262 -8.883 1.00 0.00 C ATOM 178 CG LEU A 15 -5.861 -3.187 -9.606 1.00 0.00 C ATOM 179 CD1 LEU A 15 -6.560 -4.461 -10.085 1.00 0.00 C ATOM 180 CD2 LEU A 15 -5.157 -2.454 -10.750 1.00 0.00 C ATOM 0 H LEU A 15 -6.469 -3.237 -6.646 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.296 -1.093 -8.063 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.668 -2.865 -8.505 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.261 -1.569 -9.612 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.091 -3.490 -8.896 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.840 -5.101 -10.596 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.975 -4.993 -9.228 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.364 -4.198 -10.773 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.465 -3.134 -11.247 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.898 -2.102 -11.467 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.605 -1.603 -10.352 1.00 0.00 H new ATOM 192 N ARG A 16 -8.354 -0.465 -7.026 1.00 0.00 N ATOM 193 CA ARG A 16 -9.258 0.613 -6.661 1.00 0.00 C ATOM 194 C ARG A 16 -8.527 1.657 -5.816 1.00 0.00 C ATOM 195 O ARG A 16 -8.677 2.857 -6.038 1.00 0.00 O ATOM 196 CB ARG A 16 -10.460 0.082 -5.877 1.00 0.00 C ATOM 197 CG ARG A 16 -11.409 -0.699 -6.788 1.00 0.00 C ATOM 198 CD ARG A 16 -11.721 -2.078 -6.203 1.00 0.00 C ATOM 199 NE ARG A 16 -12.581 -1.936 -5.006 1.00 0.00 N ATOM 200 CZ ARG A 16 -13.857 -1.530 -5.042 1.00 0.00 C ATOM 201 NH1 ARG A 16 -14.429 -1.222 -6.214 1.00 0.00 N ATOM 202 NH2 ARG A 16 -14.561 -1.431 -3.906 1.00 0.00 N ATOM 0 H ARG A 16 -8.768 -1.397 -6.999 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.614 1.073 -7.583 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.115 -0.562 -5.068 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.994 0.913 -5.417 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.334 -0.139 -6.921 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.960 -0.812 -7.775 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.221 -2.694 -6.950 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.795 -2.588 -5.937 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.176 -2.161 -4.097 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.893 -1.297 -7.078 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.401 -0.913 -6.242 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.125 -1.665 -3.014 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.533 -1.122 -3.933 1.00 0.00 H new ATOM 216 N ILE A 17 -7.750 1.162 -4.864 1.00 0.00 N ATOM 217 CA ILE A 17 -6.994 2.037 -3.984 1.00 0.00 C ATOM 218 C ILE A 17 -6.069 2.921 -4.822 1.00 0.00 C ATOM 219 O ILE A 17 -6.203 4.144 -4.819 1.00 0.00 O ATOM 220 CB ILE A 17 -6.263 1.221 -2.915 1.00 0.00 C ATOM 221 CG1 ILE A 17 -7.224 0.778 -1.810 1.00 0.00 C ATOM 222 CG2 ILE A 17 -5.067 1.995 -2.358 1.00 0.00 C ATOM 223 CD1 ILE A 17 -6.851 -0.608 -1.282 1.00 0.00 C ATOM 0 H ILE A 17 -7.628 0.166 -4.683 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.665 2.702 -3.441 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.873 0.317 -3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.203 1.500 -0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.244 0.762 -2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.565 1.393 -1.600 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.370 2.217 -3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.413 2.927 -1.911 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.550 -0.899 -0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.897 -1.332 -2.096 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.840 -0.583 -0.876 1.00 0.00 H new ATOM 235 N ALA A 18 -5.152 2.268 -5.521 1.00 0.00 N ATOM 236 CA ALA A 18 -4.205 2.980 -6.362 1.00 0.00 C ATOM 237 C ALA A 18 -4.952 4.029 -7.188 1.00 0.00 C ATOM 238 O ALA A 18 -4.662 5.221 -7.094 1.00 0.00 O ATOM 239 CB ALA A 18 -3.448 1.980 -7.238 1.00 0.00 C ATOM 0 H ALA A 18 -5.045 1.254 -5.522 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.468 3.503 -5.753 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.738 2.514 -7.869 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.911 1.274 -6.604 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.155 1.438 -7.866 1.00 0.00 H new ATOM 245 N LYS A 19 -5.900 3.548 -7.979 1.00 0.00 N ATOM 246 CA LYS A 19 -6.691 4.430 -8.821 1.00 0.00 C ATOM 247 C LYS A 19 -7.165 5.627 -7.995 1.00 0.00 C ATOM 248 O LYS A 19 -7.133 6.763 -8.466 1.00 0.00 O ATOM 249 CB LYS A 19 -7.828 3.654 -9.490 1.00 0.00 C ATOM 250 CG LYS A 19 -7.475 3.302 -10.936 1.00 0.00 C ATOM 251 CD LYS A 19 -8.703 3.411 -11.842 1.00 0.00 C ATOM 252 CE LYS A 19 -8.513 4.507 -12.893 1.00 0.00 C ATOM 253 NZ LYS A 19 -9.768 5.270 -13.078 1.00 0.00 N ATOM 0 H LYS A 19 -6.138 2.559 -8.055 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.084 4.825 -9.635 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.030 2.742 -8.929 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.741 4.249 -9.469 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.693 3.970 -11.296 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.075 2.289 -10.980 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.881 2.456 -12.336 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.585 3.628 -11.240 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.713 5.180 -12.585 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.208 4.062 -13.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.622 6.010 -13.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.522 4.627 -13.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.043 5.710 -12.177 1.00 0.00 H new ATOM 267 N LYS A 20 -7.595 5.332 -6.777 1.00 0.00 N ATOM 268 CA LYS A 20 -8.075 6.369 -5.881 1.00 0.00 C ATOM 269 C LYS A 20 -6.931 7.335 -5.565 1.00 0.00 C ATOM 270 O LYS A 20 -7.140 8.543 -5.476 1.00 0.00 O ATOM 271 CB LYS A 20 -8.717 5.749 -4.638 1.00 0.00 C ATOM 272 CG LYS A 20 -10.242 5.853 -4.699 1.00 0.00 C ATOM 273 CD LYS A 20 -10.845 5.906 -3.294 1.00 0.00 C ATOM 274 CE LYS A 20 -10.640 7.283 -2.660 1.00 0.00 C ATOM 275 NZ LYS A 20 -11.355 7.371 -1.367 1.00 0.00 N ATOM 0 H LYS A 20 -7.621 4.389 -6.390 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.861 6.952 -6.361 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.423 4.703 -4.556 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.350 6.254 -3.744 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.527 6.746 -5.255 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.647 4.998 -5.240 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.910 5.679 -3.343 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.385 5.142 -2.668 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.576 7.464 -2.507 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.002 8.058 -3.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.205 8.312 -0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.372 7.219 -1.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.991 6.644 -0.719 1.00 0.00 H new ATOM 289 N LEU A 21 -5.746 6.765 -5.405 1.00 0.00 N ATOM 290 CA LEU A 21 -4.568 7.559 -5.101 1.00 0.00 C ATOM 291 C LEU A 21 -4.112 8.291 -6.365 1.00 0.00 C ATOM 292 O LEU A 21 -4.161 9.519 -6.428 1.00 0.00 O ATOM 293 CB LEU A 21 -3.481 6.687 -4.470 1.00 0.00 C ATOM 294 CG LEU A 21 -3.841 6.026 -3.137 1.00 0.00 C ATOM 295 CD1 LEU A 21 -2.790 4.988 -2.738 1.00 0.00 C ATOM 296 CD2 LEU A 21 -4.054 7.076 -2.045 1.00 0.00 C ATOM 0 H LEU A 21 -5.576 5.762 -5.480 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.804 8.321 -4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.213 5.905 -5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.592 7.300 -4.321 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.785 5.496 -3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.070 4.534 -1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.731 4.216 -3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.819 5.474 -2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.309 6.580 -1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.139 7.654 -1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.866 7.743 -2.335 1.00 0.00 H new ATOM 308 N GLU A 22 -3.678 7.507 -7.341 1.00 0.00 N ATOM 309 CA GLU A 22 -3.214 8.065 -8.599 1.00 0.00 C ATOM 310 C GLU A 22 -4.051 9.288 -8.979 1.00 0.00 C ATOM 311 O GLU A 22 -3.544 10.226 -9.591 1.00 0.00 O ATOM 312 CB GLU A 22 -3.245 7.013 -9.710 1.00 0.00 C ATOM 313 CG GLU A 22 -2.297 5.854 -9.395 1.00 0.00 C ATOM 314 CD GLU A 22 -0.894 6.130 -9.939 1.00 0.00 C ATOM 315 OE1 GLU A 22 -0.450 7.291 -9.802 1.00 0.00 O ATOM 316 OE2 GLU A 22 -0.297 5.175 -10.480 1.00 0.00 O ATOM 0 H GLU A 22 -3.638 6.489 -7.285 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.179 8.383 -8.473 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.260 6.635 -9.829 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.962 7.471 -10.658 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.249 5.701 -8.317 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.685 4.933 -9.831 1.00 0.00 H new ATOM 323 N LYS A 23 -5.320 9.238 -8.599 1.00 0.00 N ATOM 324 CA LYS A 23 -6.232 10.330 -8.892 1.00 0.00 C ATOM 325 C LYS A 23 -5.898 11.522 -7.994 1.00 0.00 C ATOM 326 O LYS A 23 -5.470 12.569 -8.479 1.00 0.00 O ATOM 327 CB LYS A 23 -7.684 9.861 -8.777 1.00 0.00 C ATOM 328 CG LYS A 23 -8.654 11.031 -8.955 1.00 0.00 C ATOM 329 CD LYS A 23 -9.982 10.754 -8.247 1.00 0.00 C ATOM 330 CE LYS A 23 -9.829 10.871 -6.729 1.00 0.00 C ATOM 331 NZ LYS A 23 -11.149 11.066 -6.089 1.00 0.00 N ATOM 0 H LYS A 23 -5.737 8.458 -8.091 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.110 10.663 -9.923 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.885 9.100 -9.531 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.844 9.396 -7.804 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.208 11.942 -8.556 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.832 11.202 -10.017 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.738 11.458 -8.595 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.334 9.755 -8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.356 9.971 -6.335 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.174 11.708 -6.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.027 11.144 -5.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.586 11.937 -6.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.763 10.255 -6.305 1.00 0.00 H new ATOM 345 N MET A 24 -6.106 11.325 -6.700 1.00 0.00 N ATOM 346 CA MET A 24 -5.833 12.371 -5.730 1.00 0.00 C ATOM 347 C MET A 24 -4.434 12.957 -5.935 1.00 0.00 C ATOM 348 O MET A 24 -4.249 14.171 -5.860 1.00 0.00 O ATOM 349 CB MET A 24 -5.944 11.798 -4.316 1.00 0.00 C ATOM 350 CG MET A 24 -4.607 11.212 -3.856 1.00 0.00 C ATOM 351 SD MET A 24 -4.729 10.673 -2.159 1.00 0.00 S ATOM 352 CE MET A 24 -6.488 10.387 -2.050 1.00 0.00 C ATOM 0 H MET A 24 -6.461 10.456 -6.301 1.00 0.00 H new ATOM 0 HA MET A 24 -6.564 13.168 -5.867 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.259 12.581 -3.626 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.712 11.025 -4.292 1.00 0.00 H new ATOM 0 HG2 MET A 24 -4.330 10.373 -4.494 1.00 0.00 H new ATOM 0 HG3 MET A 24 -3.820 11.960 -3.953 1.00 0.00 H new ATOM 0 HE1 MET A 24 -6.723 9.926 -1.091 1.00 0.00 H new ATOM 0 HE2 MET A 24 -7.017 11.336 -2.136 1.00 0.00 H new ATOM 0 HE3 MET A 24 -6.799 9.724 -2.857 1.00 0.00 H new ATOM 362 N VAL A 25 -3.486 12.068 -6.191 1.00 0.00 N ATOM 363 CA VAL A 25 -2.111 12.482 -6.408 1.00 0.00 C ATOM 364 C VAL A 25 -2.044 13.394 -7.635 1.00 0.00 C ATOM 365 O VAL A 25 -1.569 14.525 -7.547 1.00 0.00 O ATOM 366 CB VAL A 25 -1.207 11.253 -6.527 1.00 0.00 C ATOM 367 CG1 VAL A 25 0.254 11.663 -6.724 1.00 0.00 C ATOM 368 CG2 VAL A 25 -1.361 10.339 -5.310 1.00 0.00 C ATOM 0 H VAL A 25 -3.643 11.062 -6.253 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.747 13.056 -5.556 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.519 10.692 -7.408 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.875 10.771 -6.806 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.346 12.254 -7.635 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.583 12.257 -5.872 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.708 9.473 -5.420 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.089 10.886 -4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.396 10.005 -5.234 1.00 0.00 H new ATOM 378 N SER A 26 -2.528 12.868 -8.751 1.00 0.00 N ATOM 379 CA SER A 26 -2.530 13.620 -9.994 1.00 0.00 C ATOM 380 C SER A 26 -3.341 14.907 -9.825 1.00 0.00 C ATOM 381 O SER A 26 -2.878 15.988 -10.185 1.00 0.00 O ATOM 382 CB SER A 26 -3.095 12.784 -11.143 1.00 0.00 C ATOM 383 OG SER A 26 -2.233 11.702 -11.490 1.00 0.00 O ATOM 0 H SER A 26 -2.922 11.930 -8.820 1.00 0.00 H new ATOM 0 HA SER A 26 -1.500 13.876 -10.240 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.072 12.393 -10.860 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.246 13.421 -12.015 1.00 0.00 H new ATOM 0 HG SER A 26 -2.460 10.917 -10.949 1.00 0.00 H new ATOM 389 N ARG A 27 -4.537 14.747 -9.278 1.00 0.00 N ATOM 390 CA ARG A 27 -5.416 15.883 -9.058 1.00 0.00 C ATOM 391 C ARG A 27 -4.786 16.857 -8.060 1.00 0.00 C ATOM 392 O ARG A 27 -5.047 18.058 -8.110 1.00 0.00 O ATOM 393 CB ARG A 27 -6.778 15.430 -8.526 1.00 0.00 C ATOM 394 CG ARG A 27 -7.564 14.679 -9.603 1.00 0.00 C ATOM 395 CD ARG A 27 -8.997 14.403 -9.143 1.00 0.00 C ATOM 396 NE ARG A 27 -9.730 15.677 -8.977 1.00 0.00 N ATOM 397 CZ ARG A 27 -11.060 15.767 -8.843 1.00 0.00 C ATOM 398 NH1 ARG A 27 -11.811 14.658 -8.856 1.00 0.00 N ATOM 399 NH2 ARG A 27 -11.639 16.967 -8.698 1.00 0.00 N ATOM 0 H ARG A 27 -4.918 13.849 -8.981 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.559 16.382 -10.017 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.638 14.786 -7.658 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.349 16.296 -8.192 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.580 15.265 -10.522 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.064 13.738 -9.833 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.507 13.773 -9.872 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.986 13.855 -8.201 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.189 16.541 -8.964 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.370 13.745 -8.968 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.824 14.727 -8.754 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.067 17.812 -8.690 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.652 17.036 -8.596 1.00 0.00 H new ATOM 413 N LYS A 28 -3.968 16.303 -7.178 1.00 0.00 N ATOM 414 CA LYS A 28 -3.298 17.108 -6.170 1.00 0.00 C ATOM 415 C LYS A 28 -4.332 17.631 -5.171 1.00 0.00 C ATOM 416 O LYS A 28 -4.647 18.820 -5.163 1.00 0.00 O ATOM 417 CB LYS A 28 -2.468 18.211 -6.830 1.00 0.00 C ATOM 418 CG LYS A 28 -1.009 18.147 -6.374 1.00 0.00 C ATOM 419 CD LYS A 28 -0.063 18.568 -7.500 1.00 0.00 C ATOM 420 CE LYS A 28 0.132 20.086 -7.514 1.00 0.00 C ATOM 421 NZ LYS A 28 1.451 20.434 -8.088 1.00 0.00 N ATOM 0 H LYS A 28 -3.754 15.307 -7.140 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.589 16.501 -5.607 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.519 18.110 -7.914 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.888 19.185 -6.581 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.865 18.797 -5.511 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.769 17.134 -6.053 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.901 18.075 -7.373 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.465 18.241 -8.459 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.660 20.555 -8.098 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.055 20.478 -6.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.567 21.468 -8.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.204 20.002 -7.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.510 20.077 -9.063 1.00 0.00 H new ATOM 435 N LYS A 29 -4.831 16.716 -4.352 1.00 0.00 N ATOM 436 CA LYS A 29 -5.823 17.070 -3.351 1.00 0.00 C ATOM 437 C LYS A 29 -5.659 16.159 -2.133 1.00 0.00 C ATOM 438 O LYS A 29 -5.528 16.639 -1.008 1.00 0.00 O ATOM 439 CB LYS A 29 -7.228 17.042 -3.956 1.00 0.00 C ATOM 440 CG LYS A 29 -7.823 18.450 -4.027 1.00 0.00 C ATOM 441 CD LYS A 29 -9.334 18.419 -3.791 1.00 0.00 C ATOM 442 CE LYS A 29 -10.087 19.021 -4.979 1.00 0.00 C ATOM 443 NZ LYS A 29 -10.773 17.960 -5.749 1.00 0.00 N ATOM 0 H LYS A 29 -4.567 15.731 -4.361 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.670 18.093 -3.007 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.189 16.609 -4.956 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.873 16.400 -3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.348 19.087 -3.281 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.613 18.889 -5.002 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.660 17.391 -3.632 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.575 18.973 -2.884 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.816 19.750 -4.624 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.391 19.555 -5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.279 18.386 -6.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.071 17.280 -6.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.452 17.468 -5.133 1.00 0.00 H new ATOM 457 N THR A 30 -5.672 14.861 -2.398 1.00 0.00 N ATOM 458 CA THR A 30 -5.526 13.879 -1.338 1.00 0.00 C ATOM 459 C THR A 30 -6.374 14.273 -0.126 1.00 0.00 C ATOM 460 O THR A 30 -5.924 15.034 0.730 1.00 0.00 O ATOM 461 CB THR A 30 -4.036 13.745 -1.019 1.00 0.00 C ATOM 462 OG1 THR A 30 -3.667 15.032 -0.533 1.00 0.00 O ATOM 463 CG2 THR A 30 -3.183 13.562 -2.275 1.00 0.00 C ATOM 0 H THR A 30 -5.782 14.467 -3.332 1.00 0.00 H new ATOM 0 HA THR A 30 -5.895 12.902 -1.650 1.00 0.00 H new ATOM 0 HB THR A 30 -3.883 12.898 -0.350 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.463 15.497 -0.201 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.134 13.472 -1.993 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.496 12.659 -2.799 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.310 14.424 -2.930 1.00 0.00 H new ATOM 471 N GLU A 31 -7.585 13.737 -0.092 1.00 0.00 N ATOM 472 CA GLU A 31 -8.499 14.023 1.000 1.00 0.00 C ATOM 473 C GLU A 31 -8.875 12.732 1.730 1.00 0.00 C ATOM 474 O GLU A 31 -9.657 12.756 2.679 1.00 0.00 O ATOM 475 CB GLU A 31 -9.747 14.750 0.495 1.00 0.00 C ATOM 476 CG GLU A 31 -9.638 16.257 0.732 1.00 0.00 C ATOM 477 CD GLU A 31 -10.789 16.760 1.606 1.00 0.00 C ATOM 478 OE1 GLU A 31 -11.935 16.344 1.329 1.00 0.00 O ATOM 479 OE2 GLU A 31 -10.497 17.548 2.531 1.00 0.00 O ATOM 0 H GLU A 31 -7.954 13.106 -0.803 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.995 14.683 1.706 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.880 14.554 -0.569 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.629 14.361 1.004 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.686 16.485 1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.647 16.781 -0.224 1.00 0.00 H new ATOM 486 N GLY A 32 -8.299 11.635 1.260 1.00 0.00 N ATOM 487 CA GLY A 32 -8.563 10.336 1.856 1.00 0.00 C ATOM 488 C GLY A 32 -7.487 9.323 1.461 1.00 0.00 C ATOM 489 O GLY A 32 -7.797 8.261 0.923 1.00 0.00 O ATOM 0 H GLY A 32 -7.650 11.619 0.473 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.598 10.430 2.941 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.541 9.977 1.536 1.00 0.00 H new ATOM 493 N ALA A 33 -6.245 9.686 1.744 1.00 0.00 N ATOM 494 CA ALA A 33 -5.121 8.822 1.426 1.00 0.00 C ATOM 495 C ALA A 33 -4.895 7.842 2.578 1.00 0.00 C ATOM 496 O ALA A 33 -4.686 6.651 2.353 1.00 0.00 O ATOM 497 CB ALA A 33 -3.885 9.677 1.136 1.00 0.00 C ATOM 0 H ALA A 33 -5.992 10.568 2.190 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.329 8.236 0.531 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.042 9.029 0.897 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.088 10.335 0.291 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.644 10.278 2.013 1.00 0.00 H new ATOM 503 N LEU A 34 -4.944 8.379 3.788 1.00 0.00 N ATOM 504 CA LEU A 34 -4.747 7.566 4.977 1.00 0.00 C ATOM 505 C LEU A 34 -5.528 6.259 4.830 1.00 0.00 C ATOM 506 O LEU A 34 -4.936 5.184 4.741 1.00 0.00 O ATOM 507 CB LEU A 34 -5.106 8.360 6.234 1.00 0.00 C ATOM 508 CG LEU A 34 -4.449 7.890 7.534 1.00 0.00 C ATOM 509 CD1 LEU A 34 -2.942 7.702 7.350 1.00 0.00 C ATOM 510 CD2 LEU A 34 -4.771 8.844 8.686 1.00 0.00 C ATOM 0 H LEU A 34 -5.117 9.367 3.971 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.696 7.299 5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.836 9.403 6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.188 8.327 6.364 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.865 6.917 7.795 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.500 7.368 8.289 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.760 6.955 6.577 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.491 8.649 7.053 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.292 8.488 9.598 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.400 9.841 8.447 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.850 8.884 8.834 1.00 0.00 H new ATOM 522 N ASP A 35 -6.846 6.393 4.810 1.00 0.00 N ATOM 523 CA ASP A 35 -7.714 5.236 4.677 1.00 0.00 C ATOM 524 C ASP A 35 -7.122 4.277 3.642 1.00 0.00 C ATOM 525 O ASP A 35 -6.988 3.082 3.903 1.00 0.00 O ATOM 526 CB ASP A 35 -9.108 5.646 4.198 1.00 0.00 C ATOM 527 CG ASP A 35 -10.089 6.022 5.311 1.00 0.00 C ATOM 528 OD1 ASP A 35 -10.504 5.094 6.039 1.00 0.00 O ATOM 529 OD2 ASP A 35 -10.402 7.228 5.408 1.00 0.00 O ATOM 0 H ASP A 35 -7.334 7.286 4.884 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.794 4.760 5.654 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.008 6.494 3.520 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.534 4.825 3.621 1.00 0.00 H new ATOM 534 N LEU A 36 -6.785 4.835 2.489 1.00 0.00 N ATOM 535 CA LEU A 36 -6.210 4.045 1.414 1.00 0.00 C ATOM 536 C LEU A 36 -4.917 3.390 1.903 1.00 0.00 C ATOM 537 O LEU A 36 -4.706 2.195 1.700 1.00 0.00 O ATOM 538 CB LEU A 36 -6.031 4.899 0.157 1.00 0.00 C ATOM 539 CG LEU A 36 -7.317 5.398 -0.504 1.00 0.00 C ATOM 540 CD1 LEU A 36 -7.047 6.634 -1.364 1.00 0.00 C ATOM 541 CD2 LEU A 36 -7.993 4.281 -1.301 1.00 0.00 C ATOM 0 H LEU A 36 -6.899 5.826 2.276 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.887 3.240 1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.419 5.764 0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.471 4.318 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.011 5.698 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.978 6.969 -1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.643 7.431 -0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.327 6.385 -2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.905 4.662 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.315 3.927 -2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.241 3.456 -0.633 1.00 0.00 H new ATOM 553 N LEU A 37 -4.084 4.202 2.537 1.00 0.00 N ATOM 554 CA LEU A 37 -2.816 3.717 3.056 1.00 0.00 C ATOM 555 C LEU A 37 -3.080 2.619 4.089 1.00 0.00 C ATOM 556 O LEU A 37 -2.383 1.606 4.115 1.00 0.00 O ATOM 557 CB LEU A 37 -1.977 4.878 3.593 1.00 0.00 C ATOM 558 CG LEU A 37 -1.680 6.006 2.602 1.00 0.00 C ATOM 559 CD1 LEU A 37 -1.571 7.352 3.320 1.00 0.00 C ATOM 560 CD2 LEU A 37 -0.431 5.694 1.776 1.00 0.00 C ATOM 0 H LEU A 37 -4.262 5.192 2.703 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.224 3.269 2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.491 5.304 4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.029 4.479 3.953 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.516 6.079 1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.360 8.136 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.511 7.571 3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.765 7.309 4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.242 6.511 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.425 5.578 2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.585 4.770 1.218 1.00 0.00 H new ATOM 572 N LYS A 38 -4.087 2.859 4.916 1.00 0.00 N ATOM 573 CA LYS A 38 -4.451 1.903 5.948 1.00 0.00 C ATOM 574 C LYS A 38 -4.626 0.520 5.318 1.00 0.00 C ATOM 575 O LYS A 38 -3.840 -0.389 5.580 1.00 0.00 O ATOM 576 CB LYS A 38 -5.682 2.389 6.717 1.00 0.00 C ATOM 577 CG LYS A 38 -5.309 3.495 7.706 1.00 0.00 C ATOM 578 CD LYS A 38 -6.122 3.375 8.996 1.00 0.00 C ATOM 579 CE LYS A 38 -6.230 4.727 9.705 1.00 0.00 C ATOM 580 NZ LYS A 38 -7.414 4.754 10.592 1.00 0.00 N ATOM 0 H LYS A 38 -4.662 3.701 4.892 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.654 1.818 6.687 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.430 2.760 6.016 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.134 1.554 7.253 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.245 3.438 7.936 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.485 4.469 7.250 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.120 3.000 8.768 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.652 2.649 9.660 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.328 4.912 10.288 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.303 5.526 8.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.472 5.678 11.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.274 4.599 10.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.329 4.004 11.307 1.00 0.00 H new ATOM 594 N LYS A 39 -5.662 0.405 4.499 1.00 0.00 N ATOM 595 CA LYS A 39 -5.950 -0.852 3.830 1.00 0.00 C ATOM 596 C LYS A 39 -4.643 -1.468 3.326 1.00 0.00 C ATOM 597 O LYS A 39 -4.318 -2.606 3.663 1.00 0.00 O ATOM 598 CB LYS A 39 -6.996 -0.647 2.732 1.00 0.00 C ATOM 599 CG LYS A 39 -8.413 -0.763 3.297 1.00 0.00 C ATOM 600 CD LYS A 39 -9.142 0.581 3.230 1.00 0.00 C ATOM 601 CE LYS A 39 -10.648 0.398 3.425 1.00 0.00 C ATOM 602 NZ LYS A 39 -11.026 0.674 4.829 1.00 0.00 N ATOM 0 H LYS A 39 -6.312 1.162 4.284 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.390 -1.563 4.529 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.862 0.334 2.275 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.853 -1.387 1.945 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.972 -1.512 2.736 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.369 -1.106 4.331 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.751 1.249 3.997 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.951 1.055 2.267 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.191 1.067 2.758 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.934 -0.619 3.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.052 0.545 4.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.522 0.018 5.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.771 1.653 5.071 1.00 0.00 H new ATOM 616 N LEU A 40 -3.928 -0.689 2.527 1.00 0.00 N ATOM 617 CA LEU A 40 -2.664 -1.144 1.974 1.00 0.00 C ATOM 618 C LEU A 40 -1.800 -1.723 3.096 1.00 0.00 C ATOM 619 O LEU A 40 -1.265 -2.823 2.968 1.00 0.00 O ATOM 620 CB LEU A 40 -1.984 -0.017 1.194 1.00 0.00 C ATOM 621 CG LEU A 40 -2.711 0.459 -0.066 1.00 0.00 C ATOM 622 CD1 LEU A 40 -1.901 1.536 -0.791 1.00 0.00 C ATOM 623 CD2 LEU A 40 -3.048 -0.719 -0.982 1.00 0.00 C ATOM 0 H LEU A 40 -4.200 0.254 2.250 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.830 -1.945 1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.858 0.836 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.986 -0.349 0.910 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.655 0.913 0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.439 1.857 -1.683 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.755 2.389 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.931 1.130 -1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.564 -0.354 -1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.129 -1.224 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.692 -1.420 -0.451 1.00 0.00 H new ATOM 635 N ASN A 41 -1.690 -0.956 4.171 1.00 0.00 N ATOM 636 CA ASN A 41 -0.900 -1.379 5.315 1.00 0.00 C ATOM 637 C ASN A 41 -1.486 -2.673 5.884 1.00 0.00 C ATOM 638 O ASN A 41 -0.769 -3.472 6.484 1.00 0.00 O ATOM 639 CB ASN A 41 -0.924 -0.323 6.422 1.00 0.00 C ATOM 640 CG ASN A 41 -0.180 -0.814 7.665 1.00 0.00 C ATOM 641 OD1 ASN A 41 -0.716 -1.521 8.502 1.00 0.00 O ATOM 642 ND2 ASN A 41 1.082 -0.401 7.738 1.00 0.00 N ATOM 0 H ASN A 41 -2.135 -0.044 4.274 1.00 0.00 H new ATOM 0 HA ASN A 41 0.126 -1.527 4.979 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.467 0.598 6.061 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.956 -0.086 6.681 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.663 -0.675 8.530 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.469 0.190 7.002 1.00 0.00 H new ATOM 649 N SER A 42 -2.784 -2.839 5.675 1.00 0.00 N ATOM 650 CA SER A 42 -3.475 -4.022 6.160 1.00 0.00 C ATOM 651 C SER A 42 -3.881 -4.909 4.982 1.00 0.00 C ATOM 652 O SER A 42 -4.967 -5.487 4.981 1.00 0.00 O ATOM 653 CB SER A 42 -4.704 -3.642 6.987 1.00 0.00 C ATOM 654 OG SER A 42 -4.823 -4.437 8.163 1.00 0.00 O ATOM 0 H SER A 42 -3.375 -2.174 5.176 1.00 0.00 H new ATOM 0 HA SER A 42 -2.794 -4.576 6.806 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.642 -2.590 7.265 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.601 -3.759 6.378 1.00 0.00 H new ATOM 0 HG SER A 42 -5.619 -4.162 8.664 1.00 0.00 H new ATOM 660 N CYS A 43 -2.987 -4.991 4.007 1.00 0.00 N ATOM 661 CA CYS A 43 -3.240 -5.798 2.826 1.00 0.00 C ATOM 662 C CYS A 43 -1.980 -6.611 2.522 1.00 0.00 C ATOM 663 O CYS A 43 -0.865 -6.109 2.657 1.00 0.00 O ATOM 664 CB CYS A 43 -3.666 -4.940 1.634 1.00 0.00 C ATOM 665 SG CYS A 43 -5.476 -4.674 1.670 1.00 0.00 S ATOM 0 H CYS A 43 -2.087 -4.512 4.011 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.072 -6.475 3.017 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.149 -3.981 1.662 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.380 -5.429 0.703 1.00 0.00 H new ATOM 0 HG CYS A 43 -5.765 -3.776 2.565 1.00 0.00 H new ATOM 671 N GLN A 44 -2.199 -7.854 2.117 1.00 0.00 N ATOM 672 CA GLN A 44 -1.095 -8.741 1.792 1.00 0.00 C ATOM 673 C GLN A 44 -0.506 -8.378 0.428 1.00 0.00 C ATOM 674 O GLN A 44 -0.741 -9.074 -0.559 1.00 0.00 O ATOM 675 CB GLN A 44 -1.540 -10.204 1.826 1.00 0.00 C ATOM 676 CG GLN A 44 -0.842 -10.964 2.956 1.00 0.00 C ATOM 677 CD GLN A 44 -0.557 -12.411 2.549 1.00 0.00 C ATOM 678 OE1 GLN A 44 -0.846 -12.842 1.445 1.00 0.00 O ATOM 679 NE2 GLN A 44 0.025 -13.136 3.501 1.00 0.00 N ATOM 0 H GLN A 44 -3.125 -8.267 2.007 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.318 -8.614 2.546 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.620 -10.256 1.961 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.315 -10.678 0.871 1.00 0.00 H new ATOM 0 HG2 GLN A 44 0.092 -10.464 3.213 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.467 -10.950 3.849 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.240 -12.713 4.404 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.256 -14.114 3.328 1.00 0.00 H new ATOM 688 N MET A 45 0.250 -7.289 0.415 1.00 0.00 N ATOM 689 CA MET A 45 0.874 -6.826 -0.812 1.00 0.00 C ATOM 690 C MET A 45 1.961 -7.798 -1.275 1.00 0.00 C ATOM 691 O MET A 45 2.553 -8.507 -0.461 1.00 0.00 O ATOM 692 CB MET A 45 1.489 -5.444 -0.581 1.00 0.00 C ATOM 693 CG MET A 45 2.178 -4.932 -1.848 1.00 0.00 C ATOM 694 SD MET A 45 0.968 -4.649 -3.129 1.00 0.00 S ATOM 695 CE MET A 45 -0.145 -3.551 -2.267 1.00 0.00 C ATOM 0 H MET A 45 0.444 -6.714 1.235 1.00 0.00 H new ATOM 0 HA MET A 45 0.110 -6.769 -1.588 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.712 -4.743 -0.276 1.00 0.00 H new ATOM 0 HB3 MET A 45 2.210 -5.495 0.235 1.00 0.00 H new ATOM 0 HG2 MET A 45 2.714 -4.008 -1.632 1.00 0.00 H new ATOM 0 HG3 MET A 45 2.917 -5.657 -2.188 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.806 -3.066 -2.985 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.740 -4.122 -1.554 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.431 -2.794 -1.735 1.00 0.00 H new ATOM 705 N SER A 46 2.192 -7.800 -2.579 1.00 0.00 N ATOM 706 CA SER A 46 3.197 -8.673 -3.160 1.00 0.00 C ATOM 707 C SER A 46 3.999 -7.916 -4.220 1.00 0.00 C ATOM 708 O SER A 46 3.581 -6.854 -4.679 1.00 0.00 O ATOM 709 CB SER A 46 2.557 -9.922 -3.771 1.00 0.00 C ATOM 710 OG SER A 46 2.112 -10.836 -2.772 1.00 0.00 O ATOM 0 H SER A 46 1.700 -7.210 -3.250 1.00 0.00 H new ATOM 0 HA SER A 46 3.870 -8.995 -2.365 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.713 -9.629 -4.396 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.278 -10.418 -4.421 1.00 0.00 H new ATOM 0 HG SER A 46 1.708 -11.619 -3.201 1.00 0.00 H new ATOM 716 N ILE A 47 5.137 -8.492 -4.579 1.00 0.00 N ATOM 717 CA ILE A 47 6.001 -7.884 -5.577 1.00 0.00 C ATOM 718 C ILE A 47 5.278 -7.859 -6.925 1.00 0.00 C ATOM 719 O ILE A 47 5.156 -6.806 -7.549 1.00 0.00 O ATOM 720 CB ILE A 47 7.355 -8.596 -5.619 1.00 0.00 C ATOM 721 CG1 ILE A 47 7.986 -8.656 -4.226 1.00 0.00 C ATOM 722 CG2 ILE A 47 8.286 -7.944 -6.643 1.00 0.00 C ATOM 723 CD1 ILE A 47 9.023 -9.778 -4.142 1.00 0.00 C ATOM 0 H ILE A 47 5.481 -9.373 -4.197 1.00 0.00 H new ATOM 0 HA ILE A 47 6.219 -6.849 -5.312 1.00 0.00 H new ATOM 0 HB ILE A 47 7.191 -9.624 -5.943 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.458 -7.701 -3.995 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.210 -8.816 -3.478 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.241 -8.469 -6.653 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.833 -7.997 -7.633 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.449 -6.900 -6.374 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.456 -9.799 -3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.542 -10.734 -4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.810 -9.601 -4.875 1.00 0.00 H new ATOM 735 N GLN A 48 4.816 -9.031 -7.334 1.00 0.00 N ATOM 736 CA GLN A 48 4.108 -9.157 -8.597 1.00 0.00 C ATOM 737 C GLN A 48 2.991 -8.115 -8.685 1.00 0.00 C ATOM 738 O GLN A 48 2.887 -7.394 -9.676 1.00 0.00 O ATOM 739 CB GLN A 48 3.553 -10.572 -8.775 1.00 0.00 C ATOM 740 CG GLN A 48 3.246 -10.859 -10.247 1.00 0.00 C ATOM 741 CD GLN A 48 2.575 -12.224 -10.411 1.00 0.00 C ATOM 742 OE1 GLN A 48 3.221 -13.256 -10.487 1.00 0.00 O ATOM 743 NE2 GLN A 48 1.247 -12.172 -10.460 1.00 0.00 N ATOM 0 H GLN A 48 4.918 -9.902 -6.813 1.00 0.00 H new ATOM 0 HA GLN A 48 4.814 -8.974 -9.407 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.274 -11.299 -8.402 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.646 -10.688 -8.181 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.596 -10.080 -10.645 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.169 -10.831 -10.827 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.769 -11.274 -10.390 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.707 -13.030 -10.567 1.00 0.00 H new ATOM 752 N LEU A 49 2.184 -8.068 -7.635 1.00 0.00 N ATOM 753 CA LEU A 49 1.079 -7.126 -7.582 1.00 0.00 C ATOM 754 C LEU A 49 1.629 -5.699 -7.629 1.00 0.00 C ATOM 755 O LEU A 49 1.145 -4.868 -8.396 1.00 0.00 O ATOM 756 CB LEU A 49 0.195 -7.405 -6.365 1.00 0.00 C ATOM 757 CG LEU A 49 -0.377 -8.821 -6.262 1.00 0.00 C ATOM 758 CD1 LEU A 49 -0.703 -9.177 -4.810 1.00 0.00 C ATOM 759 CD2 LEU A 49 -1.591 -8.989 -7.179 1.00 0.00 C ATOM 0 H LEU A 49 2.273 -8.667 -6.814 1.00 0.00 H new ATOM 0 HA LEU A 49 0.432 -7.248 -8.451 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.776 -7.203 -5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.635 -6.699 -6.374 1.00 0.00 H new ATOM 0 HG LEU A 49 0.385 -9.523 -6.602 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.108 -10.188 -4.765 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.205 -9.123 -4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.439 -8.474 -4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.979 -10.004 -7.087 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.365 -8.277 -6.892 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.295 -8.806 -8.212 1.00 0.00 H new ATOM 771 N LEU A 50 2.632 -5.458 -6.797 1.00 0.00 N ATOM 772 CA LEU A 50 3.253 -4.146 -6.734 1.00 0.00 C ATOM 773 C LEU A 50 3.469 -3.619 -8.154 1.00 0.00 C ATOM 774 O LEU A 50 3.496 -2.409 -8.374 1.00 0.00 O ATOM 775 CB LEU A 50 4.532 -4.198 -5.896 1.00 0.00 C ATOM 776 CG LEU A 50 4.377 -3.856 -4.413 1.00 0.00 C ATOM 777 CD1 LEU A 50 5.424 -4.586 -3.570 1.00 0.00 C ATOM 778 CD2 LEU A 50 4.417 -2.342 -4.193 1.00 0.00 C ATOM 0 H LEU A 50 3.030 -6.149 -6.161 1.00 0.00 H new ATOM 0 HA LEU A 50 2.596 -3.438 -6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.954 -5.200 -5.975 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.257 -3.511 -6.333 1.00 0.00 H new ATOM 0 HG LEU A 50 3.398 -4.204 -4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.292 -4.325 -2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.305 -5.662 -3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.422 -4.291 -3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.305 -2.126 -3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.371 -1.948 -4.545 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.604 -1.872 -4.747 1.00 0.00 H new ATOM 790 N GLN A 51 3.617 -4.554 -9.081 1.00 0.00 N ATOM 791 CA GLN A 51 3.830 -4.200 -10.474 1.00 0.00 C ATOM 792 C GLN A 51 2.489 -3.979 -11.177 1.00 0.00 C ATOM 793 O GLN A 51 2.263 -2.929 -11.777 1.00 0.00 O ATOM 794 CB GLN A 51 4.656 -5.269 -11.192 1.00 0.00 C ATOM 795 CG GLN A 51 6.148 -5.096 -10.902 1.00 0.00 C ATOM 796 CD GLN A 51 6.991 -5.989 -11.815 1.00 0.00 C ATOM 797 OE1 GLN A 51 7.459 -5.581 -12.865 1.00 0.00 O ATOM 798 NE2 GLN A 51 7.158 -7.226 -11.357 1.00 0.00 N ATOM 0 H GLN A 51 3.594 -5.557 -8.895 1.00 0.00 H new ATOM 0 HA GLN A 51 4.394 -3.268 -10.509 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.332 -6.259 -10.872 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.481 -5.208 -12.266 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.431 -4.053 -11.045 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.350 -5.341 -9.859 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.738 -7.502 -10.469 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.706 -7.899 -11.893 1.00 0.00 H new ATOM 807 N THR A 52 1.633 -4.986 -11.078 1.00 0.00 N ATOM 808 CA THR A 52 0.320 -4.915 -11.697 1.00 0.00 C ATOM 809 C THR A 52 -0.477 -3.742 -11.123 1.00 0.00 C ATOM 810 O THR A 52 -0.905 -2.857 -11.862 1.00 0.00 O ATOM 811 CB THR A 52 -0.367 -6.269 -11.504 1.00 0.00 C ATOM 812 OG1 THR A 52 -0.621 -6.333 -10.104 1.00 0.00 O ATOM 813 CG2 THR A 52 0.575 -7.446 -11.767 1.00 0.00 C ATOM 0 H THR A 52 1.823 -5.855 -10.579 1.00 0.00 H new ATOM 0 HA THR A 52 0.397 -4.722 -12.767 1.00 0.00 H new ATOM 0 HB THR A 52 -1.228 -6.338 -12.169 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.204 -7.097 -9.912 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.038 -8.383 -11.616 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.940 -7.398 -12.793 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.419 -7.397 -11.079 1.00 0.00 H new ATOM 821 N THR A 53 -0.654 -3.774 -9.810 1.00 0.00 N ATOM 822 CA THR A 53 -1.392 -2.724 -9.129 1.00 0.00 C ATOM 823 C THR A 53 -0.642 -1.394 -9.227 1.00 0.00 C ATOM 824 O THR A 53 -1.258 -0.329 -9.231 1.00 0.00 O ATOM 825 CB THR A 53 -1.638 -3.178 -7.689 1.00 0.00 C ATOM 826 OG1 THR A 53 -0.333 -3.443 -7.180 1.00 0.00 O ATOM 827 CG2 THR A 53 -2.348 -4.531 -7.614 1.00 0.00 C ATOM 0 H THR A 53 -0.299 -4.510 -9.200 1.00 0.00 H new ATOM 0 HA THR A 53 -2.359 -2.551 -9.601 1.00 0.00 H new ATOM 0 HB THR A 53 -2.232 -2.427 -7.169 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.282 -3.604 -7.925 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.498 -4.806 -6.570 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.314 -4.463 -8.114 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.738 -5.290 -8.105 1.00 0.00 H new ATOM 835 N ARG A 54 0.676 -1.500 -9.305 1.00 0.00 N ATOM 836 CA ARG A 54 1.517 -0.318 -9.403 1.00 0.00 C ATOM 837 C ARG A 54 1.235 0.632 -8.238 1.00 0.00 C ATOM 838 O ARG A 54 1.336 1.849 -8.386 1.00 0.00 O ATOM 839 CB ARG A 54 1.279 0.419 -10.722 1.00 0.00 C ATOM 840 CG ARG A 54 2.416 0.155 -11.711 1.00 0.00 C ATOM 841 CD ARG A 54 1.877 -0.394 -13.033 1.00 0.00 C ATOM 842 NE ARG A 54 2.984 -0.969 -13.831 1.00 0.00 N ATOM 843 CZ ARG A 54 2.811 -1.661 -14.965 1.00 0.00 C ATOM 844 NH1 ARG A 54 1.576 -1.868 -15.442 1.00 0.00 N ATOM 845 NH2 ARG A 54 3.874 -2.146 -15.622 1.00 0.00 N ATOM 0 H ARG A 54 1.183 -2.385 -9.302 1.00 0.00 H new ATOM 0 HA ARG A 54 2.556 -0.646 -9.365 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.332 0.098 -11.157 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.197 1.490 -10.535 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.965 1.079 -11.894 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.121 -0.555 -11.279 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.123 -1.157 -12.839 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.388 0.402 -13.595 1.00 0.00 H new ATOM 0 HE ARG A 54 3.937 -0.830 -13.496 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.768 -1.499 -14.942 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.444 -2.395 -16.305 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.814 -1.988 -15.258 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.743 -2.673 -16.485 1.00 0.00 H new ATOM 859 N ILE A 55 0.886 0.040 -7.104 1.00 0.00 N ATOM 860 CA ILE A 55 0.589 0.819 -5.914 1.00 0.00 C ATOM 861 C ILE A 55 1.882 1.440 -5.380 1.00 0.00 C ATOM 862 O ILE A 55 1.842 2.372 -4.578 1.00 0.00 O ATOM 863 CB ILE A 55 -0.153 -0.036 -4.885 1.00 0.00 C ATOM 864 CG1 ILE A 55 -0.817 0.839 -3.821 1.00 0.00 C ATOM 865 CG2 ILE A 55 0.778 -1.082 -4.268 1.00 0.00 C ATOM 866 CD1 ILE A 55 -2.238 1.225 -4.237 1.00 0.00 C ATOM 0 H ILE A 55 0.802 -0.970 -6.985 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.084 1.641 -6.156 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.948 -0.576 -5.399 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.845 0.305 -2.871 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.223 1.739 -3.663 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.226 -1.676 -3.540 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.163 -1.734 -5.052 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.610 -0.582 -3.772 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.687 1.847 -3.463 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.205 1.780 -5.175 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.836 0.323 -4.370 1.00 0.00 H new ATOM 878 N GLY A 56 2.997 0.899 -5.847 1.00 0.00 N ATOM 879 CA GLY A 56 4.299 1.388 -5.427 1.00 0.00 C ATOM 880 C GLY A 56 4.470 2.867 -5.781 1.00 0.00 C ATOM 881 O GLY A 56 5.014 3.639 -4.993 1.00 0.00 O ATOM 0 H GLY A 56 3.026 0.126 -6.512 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.413 1.252 -4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.083 0.803 -5.907 1.00 0.00 H new ATOM 885 N VAL A 57 3.994 3.217 -6.967 1.00 0.00 N ATOM 886 CA VAL A 57 4.087 4.590 -7.435 1.00 0.00 C ATOM 887 C VAL A 57 2.989 5.425 -6.772 1.00 0.00 C ATOM 888 O VAL A 57 3.211 6.585 -6.426 1.00 0.00 O ATOM 889 CB VAL A 57 4.026 4.627 -8.963 1.00 0.00 C ATOM 890 CG1 VAL A 57 2.863 3.781 -9.486 1.00 0.00 C ATOM 891 CG2 VAL A 57 3.930 6.066 -9.473 1.00 0.00 C ATOM 0 H VAL A 57 3.543 2.574 -7.618 1.00 0.00 H new ATOM 0 HA VAL A 57 5.044 5.027 -7.151 1.00 0.00 H new ATOM 0 HB VAL A 57 4.952 4.197 -9.346 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.842 3.825 -10.575 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.993 2.747 -9.167 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.924 4.168 -9.090 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.888 6.064 -10.562 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.029 6.533 -9.076 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.805 6.627 -9.145 1.00 0.00 H new ATOM 901 N ALA A 58 1.830 4.804 -6.616 1.00 0.00 N ATOM 902 CA ALA A 58 0.698 5.476 -6.002 1.00 0.00 C ATOM 903 C ALA A 58 1.121 6.043 -4.645 1.00 0.00 C ATOM 904 O ALA A 58 1.065 7.252 -4.429 1.00 0.00 O ATOM 905 CB ALA A 58 -0.474 4.499 -5.885 1.00 0.00 C ATOM 0 H ALA A 58 1.650 3.842 -6.904 1.00 0.00 H new ATOM 0 HA ALA A 58 0.367 6.311 -6.620 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.323 5.003 -5.424 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.755 4.148 -6.878 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.179 3.649 -5.270 1.00 0.00 H new ATOM 911 N VAL A 59 1.535 5.141 -3.767 1.00 0.00 N ATOM 912 CA VAL A 59 1.968 5.536 -2.437 1.00 0.00 C ATOM 913 C VAL A 59 2.989 6.670 -2.554 1.00 0.00 C ATOM 914 O VAL A 59 2.703 7.808 -2.185 1.00 0.00 O ATOM 915 CB VAL A 59 2.508 4.321 -1.680 1.00 0.00 C ATOM 916 CG1 VAL A 59 3.060 4.728 -0.312 1.00 0.00 C ATOM 917 CG2 VAL A 59 1.433 3.242 -1.538 1.00 0.00 C ATOM 0 H VAL A 59 1.580 4.139 -3.950 1.00 0.00 H new ATOM 0 HA VAL A 59 1.126 5.915 -1.858 1.00 0.00 H new ATOM 0 HB VAL A 59 3.329 3.902 -2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.437 3.846 0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.870 5.445 -0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.266 5.184 0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.843 2.389 -0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.582 3.646 -0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.107 2.921 -2.527 1.00 0.00 H new ATOM 927 N ASN A 60 4.159 6.320 -3.068 1.00 0.00 N ATOM 928 CA ASN A 60 5.224 7.293 -3.238 1.00 0.00 C ATOM 929 C ASN A 60 4.641 8.583 -3.819 1.00 0.00 C ATOM 930 O ASN A 60 4.999 9.679 -3.389 1.00 0.00 O ATOM 931 CB ASN A 60 6.292 6.779 -4.205 1.00 0.00 C ATOM 932 CG ASN A 60 7.543 7.657 -4.158 1.00 0.00 C ATOM 933 OD1 ASN A 60 7.704 8.596 -4.921 1.00 0.00 O ATOM 934 ND2 ASN A 60 8.418 7.302 -3.222 1.00 0.00 N ATOM 0 H ASN A 60 4.393 5.375 -3.372 1.00 0.00 H new ATOM 0 HA ASN A 60 5.677 7.470 -2.263 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.554 5.752 -3.950 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.892 6.764 -5.219 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.286 7.826 -3.110 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.222 6.505 -2.616 1.00 0.00 H new ATOM 941 N GLY A 61 3.754 8.410 -4.788 1.00 0.00 N ATOM 942 CA GLY A 61 3.119 9.547 -5.432 1.00 0.00 C ATOM 943 C GLY A 61 2.517 10.499 -4.397 1.00 0.00 C ATOM 944 O GLY A 61 2.547 11.716 -4.575 1.00 0.00 O ATOM 0 H GLY A 61 3.460 7.500 -5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.850 10.080 -6.040 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.338 9.197 -6.107 1.00 0.00 H new ATOM 948 N VAL A 62 1.983 9.909 -3.337 1.00 0.00 N ATOM 949 CA VAL A 62 1.375 10.689 -2.273 1.00 0.00 C ATOM 950 C VAL A 62 2.470 11.221 -1.347 1.00 0.00 C ATOM 951 O VAL A 62 2.549 12.423 -1.099 1.00 0.00 O ATOM 952 CB VAL A 62 0.328 9.847 -1.540 1.00 0.00 C ATOM 953 CG1 VAL A 62 -0.648 10.737 -0.769 1.00 0.00 C ATOM 954 CG2 VAL A 62 -0.416 8.930 -2.512 1.00 0.00 C ATOM 0 H VAL A 62 1.959 8.900 -3.193 1.00 0.00 H new ATOM 0 HA VAL A 62 0.850 11.551 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 62 0.849 9.217 -0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.382 10.114 -0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.100 11.329 -0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.159 11.403 -1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.154 8.343 -1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.919 9.533 -3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.294 8.260 -2.996 1.00 0.00 H new ATOM 964 N ARG A 63 3.288 10.299 -0.859 1.00 0.00 N ATOM 965 CA ARG A 63 4.375 10.660 0.034 1.00 0.00 C ATOM 966 C ARG A 63 5.197 11.804 -0.564 1.00 0.00 C ATOM 967 O ARG A 63 5.903 12.508 0.156 1.00 0.00 O ATOM 968 CB ARG A 63 5.293 9.465 0.296 1.00 0.00 C ATOM 969 CG ARG A 63 6.582 9.905 0.993 1.00 0.00 C ATOM 970 CD ARG A 63 7.522 8.718 1.209 1.00 0.00 C ATOM 971 NE ARG A 63 8.782 9.177 1.837 1.00 0.00 N ATOM 972 CZ ARG A 63 9.886 8.425 1.943 1.00 0.00 C ATOM 973 NH1 ARG A 63 9.893 7.174 1.464 1.00 0.00 N ATOM 974 NH2 ARG A 63 10.983 8.925 2.528 1.00 0.00 N ATOM 0 H ARG A 63 3.219 9.303 -1.066 1.00 0.00 H new ATOM 0 HA ARG A 63 3.935 10.980 0.979 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.774 8.732 0.913 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.535 8.974 -0.647 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.083 10.665 0.393 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.342 10.363 1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.041 7.973 1.843 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.736 8.235 0.256 1.00 0.00 H new ATOM 0 HE ARG A 63 8.811 10.125 2.212 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.058 6.794 1.019 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.733 6.602 1.545 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.977 9.878 2.892 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.824 8.353 2.609 1.00 0.00 H new ATOM 988 N LYS A 64 5.076 11.954 -1.875 1.00 0.00 N ATOM 989 CA LYS A 64 5.799 13.000 -2.578 1.00 0.00 C ATOM 990 C LYS A 64 4.874 14.201 -2.786 1.00 0.00 C ATOM 991 O LYS A 64 5.296 15.347 -2.638 1.00 0.00 O ATOM 992 CB LYS A 64 6.401 12.456 -3.875 1.00 0.00 C ATOM 993 CG LYS A 64 6.604 13.576 -4.898 1.00 0.00 C ATOM 994 CD LYS A 64 7.079 13.015 -6.239 1.00 0.00 C ATOM 995 CE LYS A 64 8.343 13.733 -6.717 1.00 0.00 C ATOM 996 NZ LYS A 64 8.892 13.070 -7.921 1.00 0.00 N ATOM 0 H LYS A 64 4.488 11.369 -2.469 1.00 0.00 H new ATOM 0 HA LYS A 64 6.644 13.346 -1.982 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.356 11.975 -3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.745 11.692 -4.292 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.669 14.119 -5.038 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.335 14.291 -4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.278 11.948 -6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.290 13.125 -6.983 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.114 14.775 -6.941 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.090 13.734 -5.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.749 13.570 -8.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.129 12.083 -7.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.184 13.091 -8.682 1.00 0.00 H new ATOM 1010 N HIS A 65 3.630 13.898 -3.126 1.00 0.00 N ATOM 1011 CA HIS A 65 2.642 14.938 -3.356 1.00 0.00 C ATOM 1012 C HIS A 65 1.962 15.301 -2.034 1.00 0.00 C ATOM 1013 O HIS A 65 0.897 15.917 -2.028 1.00 0.00 O ATOM 1014 CB HIS A 65 1.647 14.514 -4.438 1.00 0.00 C ATOM 1015 CG HIS A 65 2.259 14.367 -5.810 1.00 0.00 C ATOM 1016 ND1 HIS A 65 3.360 13.678 -6.226 1.00 0.00 N flip ATOM 1017 CD2 HIS A 65 1.728 14.972 -6.936 1.00 0.00 C flip ATOM 1018 CE1 HIS A 65 3.495 13.853 -7.535 1.00 0.00 C flip ATOM 1019 NE2 HIS A 65 2.484 14.655 -7.977 1.00 0.00 N flip ATOM 0 H HIS A 65 3.284 12.946 -3.248 1.00 0.00 H new ATOM 0 HA HIS A 65 3.134 15.836 -3.730 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.194 13.565 -4.150 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.843 15.249 -4.486 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.847 15.596 -6.962 1.00 0.00 H new ATOM 0 HE1 HIS A 65 4.277 13.430 -8.149 1.00 0.00 H new ATOM 0 HE2 HIS A 65 2.336 14.958 -8.940 1.00 0.00 H new ATOM 1027 N CYS A 66 2.604 14.903 -0.946 1.00 0.00 N ATOM 1028 CA CYS A 66 2.075 15.178 0.379 1.00 0.00 C ATOM 1029 C CYS A 66 3.245 15.234 1.362 1.00 0.00 C ATOM 1030 O CYS A 66 4.120 14.369 1.342 1.00 0.00 O ATOM 1031 CB CYS A 66 1.028 14.142 0.796 1.00 0.00 C ATOM 1032 SG CYS A 66 -0.613 14.937 0.949 1.00 0.00 S ATOM 0 H CYS A 66 3.487 14.392 -0.955 1.00 0.00 H new ATOM 0 HA CYS A 66 1.559 16.138 0.375 1.00 0.00 H new ATOM 0 HB2 CYS A 66 0.985 13.339 0.060 1.00 0.00 H new ATOM 0 HB3 CYS A 66 1.311 13.688 1.746 1.00 0.00 H new ATOM 0 HG CYS A 66 -1.025 14.848 2.179 1.00 0.00 H new ATOM 1038 N SER A 67 3.225 16.261 2.199 1.00 0.00 N ATOM 1039 CA SER A 67 4.274 16.442 3.188 1.00 0.00 C ATOM 1040 C SER A 67 3.705 16.250 4.595 1.00 0.00 C ATOM 1041 O SER A 67 4.324 16.651 5.579 1.00 0.00 O ATOM 1042 CB SER A 67 4.919 17.823 3.061 1.00 0.00 C ATOM 1043 OG SER A 67 6.166 17.769 2.374 1.00 0.00 O ATOM 0 H SER A 67 2.498 16.977 2.213 1.00 0.00 H new ATOM 0 HA SER A 67 5.045 15.693 3.009 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.242 18.492 2.530 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.070 18.245 4.054 1.00 0.00 H new ATOM 0 HG SER A 67 6.545 18.671 2.312 1.00 0.00 H new ATOM 1049 N ASP A 68 2.532 15.636 4.646 1.00 0.00 N ATOM 1050 CA ASP A 68 1.872 15.385 5.916 1.00 0.00 C ATOM 1051 C ASP A 68 2.811 14.588 6.825 1.00 0.00 C ATOM 1052 O ASP A 68 4.005 14.482 6.550 1.00 0.00 O ATOM 1053 CB ASP A 68 0.594 14.567 5.722 1.00 0.00 C ATOM 1054 CG ASP A 68 -0.296 15.023 4.564 1.00 0.00 C ATOM 1055 OD1 ASP A 68 -0.633 16.227 4.548 1.00 0.00 O ATOM 1056 OD2 ASP A 68 -0.618 14.158 3.722 1.00 0.00 O ATOM 0 H ASP A 68 2.021 15.305 3.828 1.00 0.00 H new ATOM 0 HA ASP A 68 1.619 16.348 6.360 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.869 13.525 5.561 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.013 14.605 6.644 1.00 0.00 H new ATOM 1061 N LYS A 69 2.235 14.048 7.889 1.00 0.00 N ATOM 1062 CA LYS A 69 3.005 13.263 8.839 1.00 0.00 C ATOM 1063 C LYS A 69 2.387 11.869 8.962 1.00 0.00 C ATOM 1064 O LYS A 69 3.049 10.867 8.695 1.00 0.00 O ATOM 1065 CB LYS A 69 3.123 14.003 10.173 1.00 0.00 C ATOM 1066 CG LYS A 69 4.442 14.774 10.258 1.00 0.00 C ATOM 1067 CD LYS A 69 4.984 14.777 11.688 1.00 0.00 C ATOM 1068 CE LYS A 69 6.000 15.904 11.887 1.00 0.00 C ATOM 1069 NZ LYS A 69 7.337 15.488 11.408 1.00 0.00 N ATOM 0 H LYS A 69 1.244 14.139 8.114 1.00 0.00 H new ATOM 0 HA LYS A 69 4.026 13.129 8.483 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.287 14.693 10.285 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.061 13.290 10.995 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.175 14.323 9.589 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.290 15.799 9.921 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.161 14.896 12.392 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.453 13.817 11.905 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.675 16.794 11.348 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.053 16.172 12.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.014 16.265 11.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.652 14.652 11.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.286 15.255 10.396 1.00 0.00 H new ATOM 1083 N GLU A 70 1.125 11.849 9.366 1.00 0.00 N ATOM 1084 CA GLU A 70 0.411 10.594 9.527 1.00 0.00 C ATOM 1085 C GLU A 70 0.153 9.951 8.163 1.00 0.00 C ATOM 1086 O GLU A 70 0.301 8.740 8.005 1.00 0.00 O ATOM 1087 CB GLU A 70 -0.898 10.803 10.291 1.00 0.00 C ATOM 1088 CG GLU A 70 -0.633 11.027 11.781 1.00 0.00 C ATOM 1089 CD GLU A 70 -0.799 12.502 12.152 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -1.882 13.046 11.847 1.00 0.00 O ATOM 1091 OE2 GLU A 70 0.162 13.053 12.731 1.00 0.00 O ATOM 0 H GLU A 70 0.579 12.682 9.587 1.00 0.00 H new ATOM 0 HA GLU A 70 1.032 9.917 10.114 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.430 11.661 9.880 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.543 9.934 10.159 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.320 10.420 12.371 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.376 10.698 12.028 1.00 0.00 H new ATOM 1098 N VAL A 71 -0.229 10.790 7.211 1.00 0.00 N ATOM 1099 CA VAL A 71 -0.509 10.319 5.866 1.00 0.00 C ATOM 1100 C VAL A 71 0.810 10.010 5.153 1.00 0.00 C ATOM 1101 O VAL A 71 0.864 9.135 4.291 1.00 0.00 O ATOM 1102 CB VAL A 71 -1.365 11.344 5.120 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.425 11.024 3.625 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -2.770 11.425 5.720 1.00 0.00 C ATOM 0 H VAL A 71 -0.351 11.794 7.345 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.086 9.395 5.898 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.895 12.321 5.235 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.040 11.768 3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.418 11.041 3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.860 10.035 3.482 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.358 12.161 5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.252 10.450 5.650 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.702 11.722 6.767 1.00 0.00 H new ATOM 1114 N VAL A 72 1.841 10.747 5.540 1.00 0.00 N ATOM 1115 CA VAL A 72 3.156 10.563 4.949 1.00 0.00 C ATOM 1116 C VAL A 72 3.871 9.409 5.656 1.00 0.00 C ATOM 1117 O VAL A 72 4.737 8.760 5.072 1.00 0.00 O ATOM 1118 CB VAL A 72 3.941 11.875 5.001 1.00 0.00 C ATOM 1119 CG1 VAL A 72 5.447 11.610 5.056 1.00 0.00 C ATOM 1120 CG2 VAL A 72 3.585 12.775 3.816 1.00 0.00 C ATOM 0 H VAL A 72 1.792 11.473 6.255 1.00 0.00 H new ATOM 0 HA VAL A 72 3.068 10.294 3.896 1.00 0.00 H new ATOM 0 HB VAL A 72 3.659 12.398 5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.982 12.559 5.092 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.682 11.027 5.946 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.751 11.055 4.168 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.157 13.701 3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.824 12.262 2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.520 13.004 3.841 1.00 0.00 H new ATOM 1130 N SER A 73 3.482 9.190 6.903 1.00 0.00 N ATOM 1131 CA SER A 73 4.075 8.126 7.696 1.00 0.00 C ATOM 1132 C SER A 73 3.736 6.766 7.083 1.00 0.00 C ATOM 1133 O SER A 73 4.631 6.012 6.703 1.00 0.00 O ATOM 1134 CB SER A 73 3.596 8.188 9.148 1.00 0.00 C ATOM 1135 OG SER A 73 4.578 8.756 10.010 1.00 0.00 O ATOM 0 H SER A 73 2.764 9.731 7.384 1.00 0.00 H new ATOM 0 HA SER A 73 5.157 8.260 7.693 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.681 8.777 9.203 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.349 7.183 9.492 1.00 0.00 H new ATOM 0 HG SER A 73 4.534 9.734 9.957 1.00 0.00 H new ATOM 1141 N LEU A 74 2.442 6.493 7.006 1.00 0.00 N ATOM 1142 CA LEU A 74 1.974 5.237 6.446 1.00 0.00 C ATOM 1143 C LEU A 74 2.589 5.041 5.059 1.00 0.00 C ATOM 1144 O LEU A 74 3.245 4.032 4.803 1.00 0.00 O ATOM 1145 CB LEU A 74 0.445 5.183 6.453 1.00 0.00 C ATOM 1146 CG LEU A 74 -0.180 3.952 7.113 1.00 0.00 C ATOM 1147 CD1 LEU A 74 0.343 3.769 8.539 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -1.708 4.022 7.068 1.00 0.00 C ATOM 0 H LEU A 74 1.703 7.121 7.322 1.00 0.00 H new ATOM 0 HA LEU A 74 2.302 4.400 7.062 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.072 6.072 6.962 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.095 5.235 5.422 1.00 0.00 H new ATOM 0 HG LEU A 74 0.119 3.071 6.545 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.117 2.887 8.985 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.425 3.641 8.516 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.094 4.648 9.133 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.127 3.135 7.544 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.047 4.912 7.598 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.040 4.068 6.031 1.00 0.00 H new ATOM 1160 N ALA A 75 2.355 6.022 4.199 1.00 0.00 N ATOM 1161 CA ALA A 75 2.878 5.970 2.844 1.00 0.00 C ATOM 1162 C ALA A 75 4.332 5.496 2.882 1.00 0.00 C ATOM 1163 O ALA A 75 4.749 4.694 2.046 1.00 0.00 O ATOM 1164 CB ALA A 75 2.730 7.344 2.187 1.00 0.00 C ATOM 0 H ALA A 75 1.810 6.857 4.414 1.00 0.00 H new ATOM 0 HA ALA A 75 2.314 5.258 2.241 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.122 7.305 1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.677 7.622 2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.286 8.084 2.763 1.00 0.00 H new ATOM 1170 N LYS A 76 5.065 6.010 3.858 1.00 0.00 N ATOM 1171 CA LYS A 76 6.463 5.649 4.015 1.00 0.00 C ATOM 1172 C LYS A 76 6.563 4.174 4.410 1.00 0.00 C ATOM 1173 O LYS A 76 7.281 3.404 3.773 1.00 0.00 O ATOM 1174 CB LYS A 76 7.155 6.597 4.997 1.00 0.00 C ATOM 1175 CG LYS A 76 7.453 7.946 4.339 1.00 0.00 C ATOM 1176 CD LYS A 76 7.805 9.001 5.389 1.00 0.00 C ATOM 1177 CE LYS A 76 8.780 10.035 4.821 1.00 0.00 C ATOM 1178 NZ LYS A 76 9.680 10.536 5.883 1.00 0.00 N ATOM 0 H LYS A 76 4.716 6.675 4.549 1.00 0.00 H new ATOM 0 HA LYS A 76 6.994 5.763 3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.521 6.747 5.871 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.083 6.147 5.349 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.279 7.837 3.636 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.587 8.274 3.765 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.897 9.500 5.728 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.248 8.519 6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.368 9.588 4.019 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.225 10.865 4.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.335 11.237 5.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.116 10.981 6.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.223 9.743 6.281 1.00 0.00 H new ATOM 1192 N VAL A 77 5.833 3.825 5.459 1.00 0.00 N ATOM 1193 CA VAL A 77 5.831 2.456 5.947 1.00 0.00 C ATOM 1194 C VAL A 77 5.517 1.507 4.788 1.00 0.00 C ATOM 1195 O VAL A 77 6.111 0.435 4.682 1.00 0.00 O ATOM 1196 CB VAL A 77 4.851 2.318 7.114 1.00 0.00 C ATOM 1197 CG1 VAL A 77 4.631 0.847 7.474 1.00 0.00 C ATOM 1198 CG2 VAL A 77 5.331 3.114 8.329 1.00 0.00 C ATOM 0 H VAL A 77 5.239 4.466 5.985 1.00 0.00 H new ATOM 0 HA VAL A 77 6.814 2.186 6.332 1.00 0.00 H new ATOM 0 HB VAL A 77 3.893 2.732 6.799 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.931 0.777 8.306 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.224 0.318 6.612 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.581 0.397 7.761 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.617 2.999 9.144 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.306 2.743 8.645 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.413 4.168 8.064 1.00 0.00 H new ATOM 1208 N LEU A 78 4.585 1.936 3.950 1.00 0.00 N ATOM 1209 CA LEU A 78 4.186 1.137 2.803 1.00 0.00 C ATOM 1210 C LEU A 78 5.390 0.944 1.878 1.00 0.00 C ATOM 1211 O LEU A 78 5.481 -0.061 1.174 1.00 0.00 O ATOM 1212 CB LEU A 78 2.973 1.762 2.112 1.00 0.00 C ATOM 1213 CG LEU A 78 1.635 1.610 2.838 1.00 0.00 C ATOM 1214 CD1 LEU A 78 0.571 2.524 2.225 1.00 0.00 C ATOM 1215 CD2 LEU A 78 1.188 0.146 2.862 1.00 0.00 C ATOM 0 H LEU A 78 4.095 2.826 4.042 1.00 0.00 H new ATOM 0 HA LEU A 78 3.866 0.145 3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.168 2.825 1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.878 1.321 1.120 1.00 0.00 H new ATOM 0 HG LEU A 78 1.770 1.923 3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.370 2.396 2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.894 3.562 2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.430 2.265 1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.234 0.065 3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.075 -0.217 1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.936 -0.455 3.379 1.00 0.00 H new ATOM 1227 N ILE A 79 6.282 1.923 1.909 1.00 0.00 N ATOM 1228 CA ILE A 79 7.476 1.873 1.081 1.00 0.00 C ATOM 1229 C ILE A 79 8.520 0.979 1.753 1.00 0.00 C ATOM 1230 O ILE A 79 9.311 0.325 1.075 1.00 0.00 O ATOM 1231 CB ILE A 79 7.979 3.287 0.781 1.00 0.00 C ATOM 1232 CG1 ILE A 79 7.353 3.829 -0.506 1.00 0.00 C ATOM 1233 CG2 ILE A 79 9.508 3.327 0.736 1.00 0.00 C ATOM 1234 CD1 ILE A 79 5.884 4.199 -0.287 1.00 0.00 C ATOM 0 H ILE A 79 6.202 2.755 2.494 1.00 0.00 H new ATOM 0 HA ILE A 79 7.250 1.427 0.112 1.00 0.00 H new ATOM 0 HB ILE A 79 7.664 3.942 1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.906 4.706 -0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.430 3.081 -1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 79 9.839 4.343 0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 79 9.909 3.011 1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 79 9.867 2.656 -0.044 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.463 4.581 -1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.329 3.315 0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.813 4.965 0.486 1.00 0.00 H new ATOM 1246 N LYS A 80 8.488 0.979 3.078 1.00 0.00 N ATOM 1247 CA LYS A 80 9.422 0.176 3.849 1.00 0.00 C ATOM 1248 C LYS A 80 8.998 -1.293 3.784 1.00 0.00 C ATOM 1249 O LYS A 80 9.748 -2.138 3.296 1.00 0.00 O ATOM 1250 CB LYS A 80 9.545 0.718 5.274 1.00 0.00 C ATOM 1251 CG LYS A 80 11.013 0.841 5.689 1.00 0.00 C ATOM 1252 CD LYS A 80 11.135 1.337 7.131 1.00 0.00 C ATOM 1253 CE LYS A 80 12.130 0.484 7.921 1.00 0.00 C ATOM 1254 NZ LYS A 80 13.446 1.157 7.993 1.00 0.00 N ATOM 0 H LYS A 80 7.830 1.522 3.637 1.00 0.00 H new ATOM 0 HA LYS A 80 10.423 0.239 3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.062 1.693 5.339 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.022 0.057 5.965 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.505 -0.127 5.591 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.528 1.530 5.019 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.459 2.378 7.135 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.159 1.305 7.614 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.749 0.308 8.927 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.239 -0.491 7.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.110 0.565 8.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.815 1.302 7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.340 2.077 8.466 1.00 0.00 H new ATOM 1268 N ASN A 81 7.799 -1.553 4.283 1.00 0.00 N ATOM 1269 CA ASN A 81 7.267 -2.905 4.288 1.00 0.00 C ATOM 1270 C ASN A 81 7.424 -3.515 2.894 1.00 0.00 C ATOM 1271 O ASN A 81 7.862 -4.657 2.758 1.00 0.00 O ATOM 1272 CB ASN A 81 5.778 -2.910 4.642 1.00 0.00 C ATOM 1273 CG ASN A 81 5.560 -2.509 6.102 1.00 0.00 C ATOM 1274 OD1 ASN A 81 6.491 -2.349 6.874 1.00 0.00 O ATOM 1275 ND2 ASN A 81 4.282 -2.356 6.436 1.00 0.00 N ATOM 0 H ASN A 81 7.180 -0.850 4.687 1.00 0.00 H new ATOM 0 HA ASN A 81 7.816 -3.481 5.033 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.243 -2.221 3.988 1.00 0.00 H new ATOM 0 HB3 ASN A 81 5.363 -3.903 4.468 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.032 -2.089 7.388 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.552 -2.506 5.740 1.00 0.00 H new ATOM 1282 N TRP A 82 7.058 -2.728 1.893 1.00 0.00 N ATOM 1283 CA TRP A 82 7.152 -3.176 0.515 1.00 0.00 C ATOM 1284 C TRP A 82 8.633 -3.375 0.183 1.00 0.00 C ATOM 1285 O TRP A 82 8.978 -4.205 -0.656 1.00 0.00 O ATOM 1286 CB TRP A 82 6.454 -2.196 -0.430 1.00 0.00 C ATOM 1287 CG TRP A 82 4.930 -2.184 -0.299 1.00 0.00 C ATOM 1288 CD1 TRP A 82 4.153 -3.045 0.373 1.00 0.00 C ATOM 1289 CD2 TRP A 82 4.024 -1.226 -0.885 1.00 0.00 C ATOM 1290 NE1 TRP A 82 2.818 -2.712 0.263 1.00 0.00 N ATOM 1291 CE2 TRP A 82 2.737 -1.571 -0.527 1.00 0.00 C ATOM 1292 CE3 TRP A 82 4.283 -0.104 -1.692 1.00 0.00 C ATOM 1293 CZ2 TRP A 82 1.608 -0.847 -0.929 1.00 0.00 C ATOM 1294 CZ3 TRP A 82 3.145 0.609 -2.086 1.00 0.00 C ATOM 1295 CH2 TRP A 82 1.843 0.275 -1.734 1.00 0.00 C ATOM 0 H TRP A 82 6.695 -1.782 2.010 1.00 0.00 H new ATOM 0 HA TRP A 82 6.634 -4.126 0.382 1.00 0.00 H new ATOM 0 HB2 TRP A 82 6.833 -1.192 -0.240 1.00 0.00 H new ATOM 0 HB3 TRP A 82 6.718 -2.447 -1.457 1.00 0.00 H new ATOM 0 HD1 TRP A 82 4.525 -3.892 0.930 1.00 0.00 H new ATOM 0 HE1 TRP A 82 2.035 -3.211 0.684 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.282 0.185 -1.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.610 -1.138 -0.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 3.289 1.480 -2.708 1.00 0.00 H new ATOM 0 HH2 TRP A 82 1.016 0.878 -2.079 1.00 0.00 H new ATOM 1306 N LYS A 83 9.467 -2.598 0.858 1.00 0.00 N ATOM 1307 CA LYS A 83 10.902 -2.679 0.645 1.00 0.00 C ATOM 1308 C LYS A 83 11.356 -4.132 0.800 1.00 0.00 C ATOM 1309 O LYS A 83 11.886 -4.723 -0.139 1.00 0.00 O ATOM 1310 CB LYS A 83 11.636 -1.704 1.568 1.00 0.00 C ATOM 1311 CG LYS A 83 12.897 -1.156 0.896 1.00 0.00 C ATOM 1312 CD LYS A 83 14.146 -1.502 1.709 1.00 0.00 C ATOM 1313 CE LYS A 83 15.108 -0.314 1.768 1.00 0.00 C ATOM 1314 NZ LYS A 83 16.102 -0.505 2.848 1.00 0.00 N ATOM 0 H LYS A 83 9.177 -1.910 1.552 1.00 0.00 H new ATOM 0 HA LYS A 83 11.154 -2.373 -0.370 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.974 -0.880 1.833 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.904 -2.208 2.496 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.987 -1.569 -0.109 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.816 -0.074 0.790 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.858 -1.792 2.720 1.00 0.00 H new ATOM 0 HD3 LYS A 83 14.649 -2.360 1.263 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.618 -0.204 0.811 1.00 0.00 H new ATOM 0 HE3 LYS A 83 14.549 0.606 1.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 16.747 0.310 2.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.611 -0.587 3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 16.647 -1.372 2.669 1.00 0.00 H new ATOM 1328 N ARG A 84 11.131 -4.664 1.992 1.00 0.00 N ATOM 1329 CA ARG A 84 11.510 -6.037 2.282 1.00 0.00 C ATOM 1330 C ARG A 84 11.232 -6.931 1.072 1.00 0.00 C ATOM 1331 O ARG A 84 12.126 -7.624 0.589 1.00 0.00 O ATOM 1332 CB ARG A 84 10.745 -6.576 3.492 1.00 0.00 C ATOM 1333 CG ARG A 84 11.099 -5.792 4.758 1.00 0.00 C ATOM 1334 CD ARG A 84 9.946 -4.878 5.177 1.00 0.00 C ATOM 1335 NE ARG A 84 8.993 -5.624 6.030 1.00 0.00 N ATOM 1336 CZ ARG A 84 9.220 -5.939 7.312 1.00 0.00 C ATOM 1337 NH1 ARG A 84 10.369 -5.575 7.898 1.00 0.00 N ATOM 1338 NH2 ARG A 84 8.299 -6.618 8.009 1.00 0.00 N ATOM 0 H ARG A 84 10.691 -4.170 2.768 1.00 0.00 H new ATOM 0 HA ARG A 84 12.576 -6.046 2.508 1.00 0.00 H new ATOM 0 HB2 ARG A 84 9.673 -6.511 3.307 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.980 -7.631 3.635 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.331 -6.485 5.567 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.995 -5.196 4.583 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.333 -4.015 5.719 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.434 -4.496 4.294 1.00 0.00 H new ATOM 0 HE ARG A 84 8.108 -5.916 5.615 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.071 -5.058 7.368 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.542 -5.815 8.874 1.00 0.00 H new ATOM 0 HH21 ARG A 84 7.424 -6.895 7.563 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.472 -6.858 8.985 1.00 0.00 H new ATOM 1352 N LEU A 85 9.988 -6.887 0.617 1.00 0.00 N ATOM 1353 CA LEU A 85 9.581 -7.684 -0.528 1.00 0.00 C ATOM 1354 C LEU A 85 10.687 -7.654 -1.584 1.00 0.00 C ATOM 1355 O LEU A 85 11.216 -8.698 -1.965 1.00 0.00 O ATOM 1356 CB LEU A 85 8.220 -7.218 -1.049 1.00 0.00 C ATOM 1357 CG LEU A 85 7.053 -7.326 -0.065 1.00 0.00 C ATOM 1358 CD1 LEU A 85 5.873 -6.463 -0.518 1.00 0.00 C ATOM 1359 CD2 LEU A 85 6.647 -8.785 0.147 1.00 0.00 C ATOM 0 H LEU A 85 9.249 -6.312 1.021 1.00 0.00 H new ATOM 0 HA LEU A 85 9.445 -8.726 -0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.310 -6.178 -1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.975 -7.799 -1.938 1.00 0.00 H new ATOM 0 HG LEU A 85 7.383 -6.941 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.057 -6.558 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.186 -5.420 -0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.535 -6.796 -1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.816 -8.833 0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.342 -9.220 -0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.493 -9.344 0.547 1.00 0.00 H new ATOM 1371 N LEU A 86 11.005 -6.447 -2.028 1.00 0.00 N ATOM 1372 CA LEU A 86 12.039 -6.267 -3.033 1.00 0.00 C ATOM 1373 C LEU A 86 13.402 -6.597 -2.421 1.00 0.00 C ATOM 1374 O LEU A 86 14.103 -7.487 -2.901 1.00 0.00 O ATOM 1375 CB LEU A 86 11.959 -4.865 -3.639 1.00 0.00 C ATOM 1376 CG LEU A 86 10.729 -4.575 -4.501 1.00 0.00 C ATOM 1377 CD1 LEU A 86 10.200 -3.162 -4.244 1.00 0.00 C ATOM 1378 CD2 LEU A 86 11.028 -4.814 -5.982 1.00 0.00 C ATOM 0 H LEU A 86 10.565 -5.584 -1.710 1.00 0.00 H new ATOM 0 HA LEU A 86 11.887 -6.956 -3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.989 -4.138 -2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.850 -4.702 -4.246 1.00 0.00 H new ATOM 0 HG LEU A 86 9.940 -5.271 -4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.326 -2.982 -4.869 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.922 -3.063 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.975 -2.434 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.137 -4.600 -6.572 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.839 -4.159 -6.300 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.321 -5.853 -6.131 1.00 0.00 H new ATOM 1390 N ASP A 87 13.737 -5.861 -1.372 1.00 0.00 N ATOM 1391 CA ASP A 87 15.003 -6.064 -0.689 1.00 0.00 C ATOM 1392 C ASP A 87 15.040 -7.475 -0.099 1.00 0.00 C ATOM 1393 O ASP A 87 14.589 -7.693 1.024 1.00 0.00 O ATOM 1394 CB ASP A 87 15.177 -5.067 0.458 1.00 0.00 C ATOM 1395 CG ASP A 87 16.566 -5.053 1.099 1.00 0.00 C ATOM 1396 OD1 ASP A 87 17.496 -4.558 0.426 1.00 0.00 O ATOM 1397 OD2 ASP A 87 16.666 -5.538 2.246 1.00 0.00 O ATOM 0 H ASP A 87 13.153 -5.123 -0.978 1.00 0.00 H new ATOM 0 HA ASP A 87 15.803 -5.921 -1.415 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.955 -4.067 0.086 1.00 0.00 H new ATOM 0 HB3 ASP A 87 14.440 -5.291 1.229 1.00 0.00 H new ATOM 1402 N SER A 88 15.581 -8.396 -0.883 1.00 0.00 N ATOM 1403 CA SER A 88 15.682 -9.780 -0.452 1.00 0.00 C ATOM 1404 C SER A 88 17.053 -10.346 -0.827 1.00 0.00 C ATOM 1405 O SER A 88 17.647 -9.934 -1.822 1.00 0.00 O ATOM 1406 CB SER A 88 14.569 -10.631 -1.067 1.00 0.00 C ATOM 1407 OG SER A 88 14.566 -10.557 -2.490 1.00 0.00 O ATOM 0 H SER A 88 15.954 -8.211 -1.814 1.00 0.00 H new ATOM 0 HA SER A 88 15.568 -9.810 0.632 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.693 -11.669 -0.758 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.604 -10.298 -0.684 1.00 0.00 H new ATOM 0 HG SER A 88 14.394 -9.634 -2.769 1.00 0.00 H new ATOM 1413 N PRO A 89 17.526 -11.307 0.010 1.00 0.00 N ATOM 1414 CA PRO A 89 18.816 -11.934 -0.224 1.00 0.00 C ATOM 1415 C PRO A 89 18.739 -12.932 -1.381 1.00 0.00 C ATOM 1416 O PRO A 89 17.887 -13.820 -1.385 1.00 0.00 O ATOM 1417 CB PRO A 89 19.182 -12.587 1.099 1.00 0.00 C ATOM 1418 CG PRO A 89 17.884 -12.700 1.882 1.00 0.00 C ATOM 1419 CD PRO A 89 16.849 -11.821 1.197 1.00 0.00 C ATOM 0 HA PRO A 89 19.582 -11.220 -0.526 1.00 0.00 H new ATOM 0 HB2 PRO A 89 19.629 -13.568 0.940 1.00 0.00 H new ATOM 0 HB3 PRO A 89 19.914 -11.988 1.641 1.00 0.00 H new ATOM 0 HG2 PRO A 89 17.545 -13.736 1.913 1.00 0.00 H new ATOM 0 HG3 PRO A 89 18.032 -12.382 2.914 1.00 0.00 H new ATOM 0 HD2 PRO A 89 15.960 -12.392 0.930 1.00 0.00 H new ATOM 0 HD3 PRO A 89 16.524 -11.011 1.849 1.00 0.00 H new ATOM 1427 N ARG A 90 19.639 -12.753 -2.336 1.00 0.00 N ATOM 1428 CA ARG A 90 19.684 -13.626 -3.497 1.00 0.00 C ATOM 1429 C ARG A 90 20.973 -14.451 -3.491 1.00 0.00 C ATOM 1430 O ARG A 90 22.046 -13.930 -3.191 1.00 0.00 O ATOM 1431 CB ARG A 90 19.608 -12.821 -4.795 1.00 0.00 C ATOM 1432 CG ARG A 90 20.706 -11.756 -4.846 1.00 0.00 C ATOM 1433 CD ARG A 90 20.106 -10.349 -4.825 1.00 0.00 C ATOM 1434 NE ARG A 90 20.726 -9.519 -5.883 1.00 0.00 N ATOM 1435 CZ ARG A 90 20.356 -9.544 -7.171 1.00 0.00 C ATOM 1436 NH1 ARG A 90 19.367 -10.357 -7.568 1.00 0.00 N ATOM 1437 NH2 ARG A 90 20.975 -8.756 -8.061 1.00 0.00 N ATOM 0 H ARG A 90 20.344 -12.016 -2.330 1.00 0.00 H new ATOM 0 HA ARG A 90 18.822 -14.291 -3.445 1.00 0.00 H new ATOM 0 HB2 ARG A 90 19.707 -13.491 -5.649 1.00 0.00 H new ATOM 0 HB3 ARG A 90 18.631 -12.345 -4.875 1.00 0.00 H new ATOM 0 HG2 ARG A 90 21.379 -11.881 -3.997 1.00 0.00 H new ATOM 0 HG3 ARG A 90 21.303 -11.887 -5.748 1.00 0.00 H new ATOM 0 HD2 ARG A 90 19.028 -10.402 -4.978 1.00 0.00 H new ATOM 0 HD3 ARG A 90 20.268 -9.890 -3.850 1.00 0.00 H new ATOM 0 HE ARG A 90 21.482 -8.889 -5.615 1.00 0.00 H new ATOM 0 HH11 ARG A 90 18.896 -10.956 -6.890 1.00 0.00 H new ATOM 0 HH12 ARG A 90 19.085 -10.376 -8.548 1.00 0.00 H new ATOM 0 HH21 ARG A 90 21.727 -8.138 -7.758 1.00 0.00 H new ATOM 0 HH22 ARG A 90 20.694 -8.775 -9.041 1.00 0.00 H new ATOM 1451 N THR A 91 20.824 -15.724 -3.827 1.00 0.00 N ATOM 1452 CA THR A 91 21.963 -16.626 -3.865 1.00 0.00 C ATOM 1453 C THR A 91 22.646 -16.678 -2.497 1.00 0.00 C ATOM 1454 O THR A 91 22.173 -16.070 -1.539 1.00 0.00 O ATOM 1455 CB THR A 91 22.892 -16.168 -4.991 1.00 0.00 C ATOM 1456 OG1 THR A 91 23.320 -17.381 -5.603 1.00 0.00 O ATOM 1457 CG2 THR A 91 24.184 -15.539 -4.465 1.00 0.00 C ATOM 0 H THR A 91 19.932 -16.152 -4.075 1.00 0.00 H new ATOM 0 HA THR A 91 21.651 -17.649 -4.078 1.00 0.00 H new ATOM 0 HB THR A 91 22.370 -15.449 -5.623 1.00 0.00 H new ATOM 0 HG1 THR A 91 23.926 -17.177 -6.346 1.00 0.00 H new ATOM 0 HG21 THR A 91 24.807 -15.232 -5.305 1.00 0.00 H new ATOM 0 HG22 THR A 91 23.943 -14.669 -3.854 1.00 0.00 H new ATOM 0 HG23 THR A 91 24.724 -16.268 -3.861 1.00 0.00 H new ATOM 1465 N THR A 92 23.749 -17.412 -2.450 1.00 0.00 N ATOM 1466 CA THR A 92 24.502 -17.552 -1.216 1.00 0.00 C ATOM 1467 C THR A 92 25.991 -17.303 -1.468 1.00 0.00 C ATOM 1468 O THR A 92 26.565 -17.851 -2.407 1.00 0.00 O ATOM 1469 CB THR A 92 24.209 -18.938 -0.637 1.00 0.00 C ATOM 1470 OG1 THR A 92 22.891 -18.821 -0.108 1.00 0.00 O ATOM 1471 CG2 THR A 92 25.073 -19.258 0.584 1.00 0.00 C ATOM 0 H THR A 92 24.138 -17.916 -3.247 1.00 0.00 H new ATOM 0 HA THR A 92 24.198 -16.806 -0.482 1.00 0.00 H new ATOM 0 HB THR A 92 24.373 -19.694 -1.405 1.00 0.00 H new ATOM 0 HG1 THR A 92 22.620 -19.676 0.286 1.00 0.00 H new ATOM 0 HG21 THR A 92 24.825 -20.252 0.955 1.00 0.00 H new ATOM 0 HG22 THR A 92 26.126 -19.228 0.303 1.00 0.00 H new ATOM 0 HG23 THR A 92 24.885 -18.522 1.366 1.00 0.00 H new ATOM 1479 N LYS A 93 26.572 -16.474 -0.613 1.00 0.00 N ATOM 1480 CA LYS A 93 27.982 -16.145 -0.731 1.00 0.00 C ATOM 1481 C LYS A 93 28.795 -17.063 0.185 1.00 0.00 C ATOM 1482 O LYS A 93 28.245 -17.683 1.093 1.00 0.00 O ATOM 1483 CB LYS A 93 28.209 -14.655 -0.467 1.00 0.00 C ATOM 1484 CG LYS A 93 27.526 -14.219 0.831 1.00 0.00 C ATOM 1485 CD LYS A 93 26.250 -13.427 0.540 1.00 0.00 C ATOM 1486 CE LYS A 93 25.914 -12.484 1.698 1.00 0.00 C ATOM 1487 NZ LYS A 93 26.284 -11.092 1.358 1.00 0.00 N ATOM 0 H LYS A 93 26.092 -16.020 0.164 1.00 0.00 H new ATOM 0 HA LYS A 93 28.330 -16.321 -1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 93 29.278 -14.451 -0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 93 27.820 -14.071 -1.301 1.00 0.00 H new ATOM 0 HG2 LYS A 93 27.285 -15.096 1.432 1.00 0.00 H new ATOM 0 HG3 LYS A 93 28.211 -13.608 1.419 1.00 0.00 H new ATOM 0 HD2 LYS A 93 26.376 -12.852 -0.377 1.00 0.00 H new ATOM 0 HD3 LYS A 93 25.421 -14.115 0.374 1.00 0.00 H new ATOM 0 HE2 LYS A 93 24.849 -12.539 1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 93 26.445 -12.798 2.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 26.049 -10.466 2.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 27.305 -11.041 1.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 25.758 -10.789 0.513 1.00 0.00 H new ATOM 1501 N GLY A 94 30.090 -17.120 -0.087 1.00 0.00 N ATOM 1502 CA GLY A 94 30.984 -17.952 0.702 1.00 0.00 C ATOM 1503 C GLY A 94 32.437 -17.503 0.539 1.00 0.00 C ATOM 1504 O GLY A 94 32.769 -16.795 -0.411 1.00 0.00 O ATOM 0 H GLY A 94 30.542 -16.604 -0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 94 30.700 -17.902 1.753 1.00 0.00 H new ATOM 0 HA3 GLY A 94 30.884 -18.993 0.394 1.00 0.00 H new ATOM 1508 N GLU A 95 33.265 -17.934 1.479 1.00 0.00 N ATOM 1509 CA GLU A 95 34.676 -17.585 1.451 1.00 0.00 C ATOM 1510 C GLU A 95 35.503 -18.761 0.926 1.00 0.00 C ATOM 1511 O GLU A 95 35.004 -19.881 0.829 1.00 0.00 O ATOM 1512 CB GLU A 95 35.160 -17.149 2.835 1.00 0.00 C ATOM 1513 CG GLU A 95 35.171 -18.330 3.809 1.00 0.00 C ATOM 1514 CD GLU A 95 33.924 -18.321 4.696 1.00 0.00 C ATOM 1515 OE1 GLU A 95 32.833 -18.080 4.137 1.00 0.00 O ATOM 1516 OE2 GLU A 95 34.091 -18.556 5.912 1.00 0.00 O ATOM 0 H GLU A 95 32.986 -18.522 2.265 1.00 0.00 H new ATOM 0 HA GLU A 95 34.809 -16.742 0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 95 36.162 -16.727 2.758 1.00 0.00 H new ATOM 0 HB3 GLU A 95 34.512 -16.362 3.220 1.00 0.00 H new ATOM 0 HG2 GLU A 95 35.218 -19.265 3.251 1.00 0.00 H new ATOM 0 HG3 GLU A 95 36.065 -18.284 4.431 1.00 0.00 H new ATOM 1523 N ARG A 96 36.752 -18.465 0.600 1.00 0.00 N ATOM 1524 CA ARG A 96 37.653 -19.483 0.087 1.00 0.00 C ATOM 1525 C ARG A 96 39.023 -18.874 -0.219 1.00 0.00 C ATOM 1526 O ARG A 96 39.112 -17.739 -0.684 1.00 0.00 O ATOM 1527 CB ARG A 96 37.093 -20.124 -1.184 1.00 0.00 C ATOM 1528 CG ARG A 96 37.752 -21.479 -1.451 1.00 0.00 C ATOM 1529 CD ARG A 96 37.611 -21.877 -2.921 1.00 0.00 C ATOM 1530 NE ARG A 96 38.380 -23.113 -3.187 1.00 0.00 N ATOM 1531 CZ ARG A 96 38.606 -23.609 -4.411 1.00 0.00 C ATOM 1532 NH1 ARG A 96 38.123 -22.977 -5.490 1.00 0.00 N ATOM 1533 NH2 ARG A 96 39.315 -24.737 -4.557 1.00 0.00 N ATOM 0 H ARG A 96 37.162 -17.534 0.681 1.00 0.00 H new ATOM 0 HA ARG A 96 37.756 -20.251 0.853 1.00 0.00 H new ATOM 0 HB2 ARG A 96 36.015 -20.253 -1.086 1.00 0.00 H new ATOM 0 HB3 ARG A 96 37.259 -19.461 -2.033 1.00 0.00 H new ATOM 0 HG2 ARG A 96 38.807 -21.433 -1.183 1.00 0.00 H new ATOM 0 HG3 ARG A 96 37.295 -22.240 -0.819 1.00 0.00 H new ATOM 0 HD2 ARG A 96 36.560 -22.033 -3.165 1.00 0.00 H new ATOM 0 HD3 ARG A 96 37.970 -21.071 -3.561 1.00 0.00 H new ATOM 0 HE ARG A 96 38.762 -23.619 -2.388 1.00 0.00 H new ATOM 0 HH11 ARG A 96 37.583 -22.119 -5.379 1.00 0.00 H new ATOM 0 HH12 ARG A 96 38.295 -23.355 -6.422 1.00 0.00 H new ATOM 0 HH21 ARG A 96 39.683 -25.218 -3.736 1.00 0.00 H new ATOM 0 HH22 ARG A 96 39.487 -25.114 -5.489 1.00 0.00 H new ATOM 1547 N GLU A 97 40.057 -19.656 0.055 1.00 0.00 N ATOM 1548 CA GLU A 97 41.418 -19.208 -0.185 1.00 0.00 C ATOM 1549 C GLU A 97 41.782 -18.076 0.778 1.00 0.00 C ATOM 1550 O GLU A 97 41.294 -16.956 0.638 1.00 0.00 O ATOM 1551 CB GLU A 97 41.604 -18.771 -1.639 1.00 0.00 C ATOM 1552 CG GLU A 97 42.921 -19.303 -2.208 1.00 0.00 C ATOM 1553 CD GLU A 97 43.708 -18.189 -2.901 1.00 0.00 C ATOM 1554 OE1 GLU A 97 43.077 -17.457 -3.694 1.00 0.00 O ATOM 1555 OE2 GLU A 97 44.923 -18.095 -2.622 1.00 0.00 O ATOM 0 H GLU A 97 39.979 -20.597 0.441 1.00 0.00 H new ATOM 0 HA GLU A 97 42.092 -20.045 -0.003 1.00 0.00 H new ATOM 0 HB2 GLU A 97 40.771 -19.134 -2.241 1.00 0.00 H new ATOM 0 HB3 GLU A 97 41.591 -17.683 -1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 97 43.521 -19.732 -1.406 1.00 0.00 H new ATOM 0 HG3 GLU A 97 42.717 -20.105 -2.918 1.00 0.00 H new ATOM 1562 N SER A 98 42.637 -18.408 1.735 1.00 0.00 N ATOM 1563 CA SER A 98 43.072 -17.434 2.721 1.00 0.00 C ATOM 1564 C SER A 98 44.337 -17.929 3.424 1.00 0.00 C ATOM 1565 O SER A 98 44.730 -19.084 3.262 1.00 0.00 O ATOM 1566 CB SER A 98 41.969 -17.157 3.746 1.00 0.00 C ATOM 1567 OG SER A 98 40.990 -16.252 3.245 1.00 0.00 O ATOM 0 H SER A 98 43.040 -19.338 1.848 1.00 0.00 H new ATOM 0 HA SER A 98 43.293 -16.500 2.204 1.00 0.00 H new ATOM 0 HB2 SER A 98 41.488 -18.095 4.023 1.00 0.00 H new ATOM 0 HB3 SER A 98 42.412 -16.746 4.653 1.00 0.00 H new ATOM 0 HG SER A 98 40.998 -16.270 2.265 1.00 0.00 H new ATOM 1573 N GLY A 99 44.941 -17.032 4.189 1.00 0.00 N ATOM 1574 CA GLY A 99 46.154 -17.363 4.917 1.00 0.00 C ATOM 1575 C GLY A 99 45.868 -18.379 6.024 1.00 0.00 C ATOM 1576 O GLY A 99 44.748 -18.874 6.144 1.00 0.00 O ATOM 0 H GLY A 99 44.613 -16.075 4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 99 46.896 -17.768 4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 99 46.581 -16.458 5.350 1.00 0.00 H new ATOM 1580 N PRO A 100 46.928 -18.669 6.826 1.00 0.00 N ATOM 1581 CA PRO A 100 46.803 -19.617 7.919 1.00 0.00 C ATOM 1582 C PRO A 100 46.038 -19.003 9.093 1.00 0.00 C ATOM 1583 O PRO A 100 45.803 -17.795 9.122 1.00 0.00 O ATOM 1584 CB PRO A 100 48.230 -19.999 8.275 1.00 0.00 C ATOM 1585 CG PRO A 100 49.112 -18.909 7.688 1.00 0.00 C ATOM 1586 CD PRO A 100 48.269 -18.103 6.713 1.00 0.00 C ATOM 0 HA PRO A 100 46.225 -20.500 7.645 1.00 0.00 H new ATOM 0 HB2 PRO A 100 48.358 -20.066 9.355 1.00 0.00 H new ATOM 0 HB3 PRO A 100 48.488 -20.974 7.862 1.00 0.00 H new ATOM 0 HG2 PRO A 100 49.502 -18.267 8.478 1.00 0.00 H new ATOM 0 HG3 PRO A 100 49.971 -19.346 7.179 1.00 0.00 H new ATOM 0 HD2 PRO A 100 48.274 -17.043 6.967 1.00 0.00 H new ATOM 0 HD3 PRO A 100 48.650 -18.188 5.695 1.00 0.00 H new ATOM 1594 N SER A 101 45.671 -19.861 10.033 1.00 0.00 N ATOM 1595 CA SER A 101 44.938 -19.417 11.207 1.00 0.00 C ATOM 1596 C SER A 101 45.886 -19.293 12.401 1.00 0.00 C ATOM 1597 O SER A 101 46.027 -18.215 12.977 1.00 0.00 O ATOM 1598 CB SER A 101 43.793 -20.377 11.537 1.00 0.00 C ATOM 1599 OG SER A 101 42.589 -19.684 11.853 1.00 0.00 O ATOM 0 H SER A 101 45.867 -20.862 10.006 1.00 0.00 H new ATOM 0 HA SER A 101 44.507 -18.440 10.991 1.00 0.00 H new ATOM 0 HB2 SER A 101 43.618 -21.038 10.688 1.00 0.00 H new ATOM 0 HB3 SER A 101 44.080 -21.008 12.379 1.00 0.00 H new ATOM 0 HG SER A 101 41.882 -20.332 12.056 1.00 0.00 H new ATOM 1605 N SER A 102 46.513 -20.411 12.737 1.00 0.00 N ATOM 1606 CA SER A 102 47.445 -20.441 13.851 1.00 0.00 C ATOM 1607 C SER A 102 48.242 -21.746 13.832 1.00 0.00 C ATOM 1608 O SER A 102 49.470 -21.727 13.761 1.00 0.00 O ATOM 1609 CB SER A 102 46.712 -20.286 15.186 1.00 0.00 C ATOM 1610 OG SER A 102 47.087 -19.091 15.865 1.00 0.00 O ATOM 0 H SER A 102 46.394 -21.303 12.257 1.00 0.00 H new ATOM 0 HA SER A 102 48.132 -19.602 13.745 1.00 0.00 H new ATOM 0 HB2 SER A 102 45.636 -20.281 15.010 1.00 0.00 H new ATOM 0 HB3 SER A 102 46.927 -21.146 15.820 1.00 0.00 H new ATOM 0 HG SER A 102 46.597 -19.028 16.711 1.00 0.00 H new ATOM 1616 N GLY A 103 47.512 -22.850 13.896 1.00 0.00 N ATOM 1617 CA GLY A 103 48.136 -24.162 13.887 1.00 0.00 C ATOM 1618 C GLY A 103 47.215 -25.212 14.511 1.00 0.00 C ATOM 1619 O GLY A 103 46.808 -25.079 15.664 1.00 0.00 O ATOM 0 H GLY A 103 46.494 -22.863 13.954 1.00 0.00 H new ATOM 0 HA2 GLY A 103 48.377 -24.447 12.863 1.00 0.00 H new ATOM 0 HA3 GLY A 103 49.076 -24.125 14.437 1.00 0.00 H new TER 1623 GLY A 103