USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 870 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 Single : A 1 MET CE :methyl 137:sc= -2.9 (180deg=-6.49!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -169:sc=-0.00886 (180deg=-0.153) USER MOD Single : A 8 ASN : amide:sc= -1.55! C(o=-1.6!,f=-10!) USER MOD Single : A 9 HIS : no HD1:sc= -1.23 X(o=-1.2,f=-0.87) USER MOD Single : A 10 ASN : amide:sc= -1.29 K(o=-1.3,f=-7.8!) USER MOD Single : A 15 LYS NZ :NH3+ -169:sc= -0.184 (180deg=-0.358) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -121:sc= 0.182 (180deg=0.0225) USER MOD Single : A 31 ASN : amide:sc= -0.0566 X(o=-0.057,f=-0.062) USER MOD Single : A 32 LYS NZ :NH3+ 166:sc= -2.21 (180deg=-2.47) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 172:sc= 0.261 (180deg=0.178) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 158:sc= -0.102 (180deg=-0.693) USER MOD Single : A 45 LYS NZ :NH3+ -162:sc= 0.519 (180deg=0.304) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 132:sc= -2.92 (180deg=-6.57!) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.178) USER MOD Single : B 8 ASN : amide:sc= -1.81! C(o=-1.8!,f=-11!) USER MOD Single : B 9 HIS : no HD1:sc= -1.21 X(o=-1.2,f=-0.85) USER MOD Single : B 10 ASN : amide:sc= -1.22 K(o=-1.2,f=-7.8!) USER MOD Single : B 15 LYS NZ :NH3+ -177:sc= -0.33 (180deg=-0.375) USER MOD Single : B 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 LYS NZ :NH3+ -120:sc= 0.18 (180deg=0.0204) USER MOD Single : B 31 ASN : amide:sc= -0.0465 X(o=-0.047,f=-0.052) USER MOD Single : B 32 LYS NZ :NH3+ 174:sc= -2.24 (180deg=-2.64!) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 LYS NZ :NH3+ -124:sc= 0.419 (180deg=-0.144) USER MOD Single : B 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 166:sc= -0.209 (180deg=-0.642) USER MOD Single : B 45 LYS NZ :NH3+ -163:sc= 0.552 (180deg=0.313) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.542 16.597 7.609 1.00 0.00 N ATOM 2 CA MET A 1 -9.658 15.144 7.288 1.00 0.00 C ATOM 3 C MET A 1 -10.169 14.972 5.853 1.00 0.00 C ATOM 4 O MET A 1 -11.193 15.515 5.481 1.00 0.00 O ATOM 5 CB MET A 1 -10.638 14.478 8.259 1.00 0.00 C ATOM 6 CG MET A 1 -9.891 13.473 9.140 1.00 0.00 C ATOM 7 SD MET A 1 -10.816 13.210 10.673 1.00 0.00 S ATOM 8 CE MET A 1 -12.132 12.178 9.978 1.00 0.00 C ATOM 0 H1 MET A 1 -9.195 16.711 8.583 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.875 17.046 6.949 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.475 17.048 7.519 1.00 0.00 H new ATOM 0 HA MET A 1 -8.678 14.677 7.383 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.119 15.234 8.880 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.428 13.972 7.704 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.769 12.529 8.610 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.891 13.843 9.365 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.332 11.343 10.649 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.037 12.773 9.860 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.820 11.796 9.006 1.00 0.00 H new ATOM 20 N LYS A 2 -9.459 14.218 5.051 1.00 0.00 N ATOM 21 CA LYS A 2 -9.880 13.992 3.641 1.00 0.00 C ATOM 22 C LYS A 2 -9.583 12.542 3.245 1.00 0.00 C ATOM 23 O LYS A 2 -8.787 11.866 3.871 1.00 0.00 O ATOM 24 CB LYS A 2 -9.116 14.940 2.715 1.00 0.00 C ATOM 25 CG LYS A 2 -7.624 14.938 3.066 1.00 0.00 C ATOM 26 CD LYS A 2 -7.266 16.227 3.811 1.00 0.00 C ATOM 27 CE LYS A 2 -6.854 17.304 2.804 1.00 0.00 C ATOM 28 NZ LYS A 2 -6.534 18.568 3.527 1.00 0.00 N ATOM 0 H LYS A 2 -8.596 13.746 5.320 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.949 14.183 3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.253 14.635 1.678 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.517 15.950 2.806 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -7.387 14.072 3.684 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -7.027 14.854 2.158 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -8.119 16.570 4.397 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -6.453 16.040 4.512 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -5.987 16.970 2.233 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -7.659 17.476 2.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -6.254 19.299 2.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -7.372 18.889 4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -5.752 18.399 4.192 1.00 0.00 H new ATOM 42 N ILE A 3 -10.221 12.065 2.208 1.00 0.00 N ATOM 43 CA ILE A 3 -9.996 10.656 1.756 1.00 0.00 C ATOM 44 C ILE A 3 -8.735 10.581 0.885 1.00 0.00 C ATOM 45 O ILE A 3 -8.726 10.993 -0.262 1.00 0.00 O ATOM 46 CB ILE A 3 -11.225 10.170 0.970 1.00 0.00 C ATOM 47 CG1 ILE A 3 -12.356 9.838 1.953 1.00 0.00 C ATOM 48 CG2 ILE A 3 -10.874 8.911 0.169 1.00 0.00 C ATOM 49 CD1 ILE A 3 -13.219 11.079 2.191 1.00 0.00 C ATOM 0 H ILE A 3 -10.893 12.593 1.650 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.853 10.012 2.624 1.00 0.00 H new ATOM 0 HB ILE A 3 -11.542 10.956 0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -12.969 9.029 1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -11.938 9.488 2.897 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.751 8.575 -0.384 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.069 9.137 -0.530 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.552 8.124 0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -14.020 10.837 2.890 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -12.603 11.876 2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -13.650 11.409 1.246 1.00 0.00 H new ATOM 61 N LYS A 4 -7.677 10.040 1.434 1.00 0.00 N ATOM 62 CA LYS A 4 -6.402 9.900 0.676 1.00 0.00 C ATOM 63 C LYS A 4 -6.455 8.619 -0.165 1.00 0.00 C ATOM 64 O LYS A 4 -5.984 8.586 -1.287 1.00 0.00 O ATOM 65 CB LYS A 4 -5.232 9.814 1.662 1.00 0.00 C ATOM 66 CG LYS A 4 -3.924 10.167 0.948 1.00 0.00 C ATOM 67 CD LYS A 4 -3.183 8.881 0.574 1.00 0.00 C ATOM 68 CE LYS A 4 -1.784 9.221 0.050 1.00 0.00 C ATOM 69 NZ LYS A 4 -1.893 9.999 -1.218 1.00 0.00 N ATOM 0 H LYS A 4 -7.645 9.685 2.390 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.265 10.762 0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.397 10.496 2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.169 8.809 2.079 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.133 10.753 0.053 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.300 10.784 1.594 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.107 8.228 1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.743 8.336 -0.186 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.237 9.798 0.795 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.218 8.306 -0.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.957 10.066 -1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.552 9.519 -1.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.247 10.955 -1.010 1.00 0.00 H new ATOM 83 N ARG A 5 -7.026 7.568 0.378 1.00 0.00 N ATOM 84 CA ARG A 5 -7.119 6.279 -0.374 1.00 0.00 C ATOM 85 C ARG A 5 -8.445 5.578 -0.059 1.00 0.00 C ATOM 86 O ARG A 5 -9.202 6.006 0.794 1.00 0.00 O ATOM 87 CB ARG A 5 -5.955 5.370 0.025 1.00 0.00 C ATOM 88 CG ARG A 5 -4.755 5.650 -0.879 1.00 0.00 C ATOM 89 CD ARG A 5 -3.606 4.706 -0.516 1.00 0.00 C ATOM 90 NE ARG A 5 -2.327 5.472 -0.483 1.00 0.00 N ATOM 91 CZ ARG A 5 -1.590 5.474 0.598 1.00 0.00 C ATOM 92 NH1 ARG A 5 -2.093 5.888 1.733 1.00 0.00 N ATOM 93 NH2 ARG A 5 -0.350 5.064 0.541 1.00 0.00 N ATOM 0 H ARG A 5 -7.432 7.550 1.313 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.073 6.488 -1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.686 5.542 1.067 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -6.251 4.324 -0.059 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.035 5.514 -1.924 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -4.437 6.686 -0.767 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -3.792 4.245 0.454 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -3.540 3.898 -1.245 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.026 5.996 -1.305 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.060 6.209 1.775 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.518 5.889 2.575 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.041 4.743 -0.345 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.227 5.065 1.382 1.00 0.00 H new ATOM 107 N ILE A 6 -8.728 4.502 -0.754 1.00 0.00 N ATOM 108 CA ILE A 6 -10.003 3.755 -0.523 1.00 0.00 C ATOM 109 C ILE A 6 -9.691 2.297 -0.173 1.00 0.00 C ATOM 110 O ILE A 6 -9.078 1.580 -0.946 1.00 0.00 O ATOM 111 CB ILE A 6 -10.880 3.790 -1.788 1.00 0.00 C ATOM 112 CG1 ILE A 6 -10.634 5.083 -2.588 1.00 0.00 C ATOM 113 CG2 ILE A 6 -12.356 3.711 -1.389 1.00 0.00 C ATOM 114 CD1 ILE A 6 -11.016 6.308 -1.750 1.00 0.00 C ATOM 0 H ILE A 6 -8.125 4.107 -1.476 1.00 0.00 H new ATOM 0 HA ILE A 6 -10.539 4.228 0.300 1.00 0.00 H new ATOM 0 HB ILE A 6 -10.618 2.938 -2.415 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.585 5.145 -2.878 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -11.219 5.066 -3.508 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -12.977 3.736 -2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.537 2.783 -0.847 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -12.606 4.558 -0.751 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.837 7.215 -2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.071 6.251 -1.482 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.412 6.331 -0.843 1.00 0.00 H new ATOM 126 N LEU A 7 -10.128 1.851 0.981 1.00 0.00 N ATOM 127 CA LEU A 7 -9.889 0.441 1.392 1.00 0.00 C ATOM 128 C LEU A 7 -11.074 -0.404 0.915 1.00 0.00 C ATOM 129 O LEU A 7 -10.906 -1.442 0.301 1.00 0.00 O ATOM 130 CB LEU A 7 -9.772 0.372 2.913 1.00 0.00 C ATOM 131 CG LEU A 7 -8.545 1.171 3.357 1.00 0.00 C ATOM 132 CD1 LEU A 7 -8.763 1.715 4.770 1.00 0.00 C ATOM 133 CD2 LEU A 7 -7.314 0.266 3.348 1.00 0.00 C ATOM 0 H LEU A 7 -10.644 2.413 1.658 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.966 0.064 0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.672 0.775 3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.683 -0.665 3.237 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.393 2.003 2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.886 2.283 5.081 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.638 2.365 4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.921 0.885 5.459 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.441 0.836 3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.470 -0.568 4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.151 -0.117 2.341 1.00 0.00 H new ATOM 145 N ASN A 8 -12.272 0.072 1.168 1.00 0.00 N ATOM 146 CA ASN A 8 -13.507 -0.639 0.713 1.00 0.00 C ATOM 147 C ASN A 8 -14.732 0.264 0.968 1.00 0.00 C ATOM 148 O ASN A 8 -14.596 1.463 1.141 1.00 0.00 O ATOM 149 CB ASN A 8 -13.646 -2.008 1.412 1.00 0.00 C ATOM 150 CG ASN A 8 -13.933 -1.850 2.905 1.00 0.00 C ATOM 151 OD1 ASN A 8 -15.036 -1.536 3.294 1.00 0.00 O ATOM 152 ND2 ASN A 8 -12.992 -2.088 3.768 1.00 0.00 N ATOM 0 H ASN A 8 -12.446 0.937 1.679 1.00 0.00 H new ATOM 0 HA ASN A 8 -13.439 -0.840 -0.356 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -14.450 -2.576 0.944 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -12.729 -2.582 1.276 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -13.184 -2.010 4.767 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -12.061 -2.353 3.447 1.00 0.00 H new ATOM 159 N HIS A 9 -15.924 -0.289 0.967 1.00 0.00 N ATOM 160 CA HIS A 9 -17.154 0.547 1.178 1.00 0.00 C ATOM 161 C HIS A 9 -17.195 1.135 2.602 1.00 0.00 C ATOM 162 O HIS A 9 -17.797 2.169 2.829 1.00 0.00 O ATOM 163 CB HIS A 9 -18.399 -0.319 0.954 1.00 0.00 C ATOM 164 CG HIS A 9 -19.623 0.558 0.914 1.00 0.00 C ATOM 165 ND1 HIS A 9 -19.847 1.467 -0.109 1.00 0.00 N ATOM 166 CD2 HIS A 9 -20.693 0.679 1.765 1.00 0.00 C ATOM 167 CE1 HIS A 9 -21.012 2.089 0.151 1.00 0.00 C ATOM 168 NE2 HIS A 9 -21.569 1.646 1.282 1.00 0.00 N ATOM 0 H HIS A 9 -16.099 -1.284 0.829 1.00 0.00 H new ATOM 0 HA HIS A 9 -17.132 1.373 0.467 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -18.306 -0.873 0.020 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -18.492 -1.054 1.753 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -20.834 0.110 2.672 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -21.444 2.853 -0.478 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -22.447 1.951 1.701 1.00 0.00 H new ATOM 176 N ASN A 10 -16.587 0.477 3.556 1.00 0.00 N ATOM 177 CA ASN A 10 -16.611 0.973 4.963 1.00 0.00 C ATOM 178 C ASN A 10 -15.234 1.477 5.401 1.00 0.00 C ATOM 179 O ASN A 10 -15.130 2.249 6.335 1.00 0.00 O ATOM 180 CB ASN A 10 -17.030 -0.169 5.890 1.00 0.00 C ATOM 181 CG ASN A 10 -18.124 -1.017 5.228 1.00 0.00 C ATOM 182 OD1 ASN A 10 -19.202 -0.530 4.945 1.00 0.00 O ATOM 183 ND2 ASN A 10 -17.890 -2.274 4.966 1.00 0.00 N ATOM 0 H ASN A 10 -16.070 -0.391 3.417 1.00 0.00 H new ATOM 0 HA ASN A 10 -17.319 1.800 5.019 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -16.167 -0.793 6.122 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -17.395 0.235 6.834 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -18.610 -2.846 4.525 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.987 -2.685 5.202 1.00 0.00 H new ATOM 190 N ALA A 11 -14.177 1.038 4.766 1.00 0.00 N ATOM 191 CA ALA A 11 -12.823 1.487 5.186 1.00 0.00 C ATOM 192 C ALA A 11 -12.212 2.420 4.140 1.00 0.00 C ATOM 193 O ALA A 11 -12.376 2.235 2.948 1.00 0.00 O ATOM 194 CB ALA A 11 -11.921 0.269 5.375 1.00 0.00 C ATOM 0 H ALA A 11 -14.197 0.390 3.978 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.912 2.032 6.126 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.928 0.596 5.683 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -12.343 -0.381 6.142 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.848 -0.279 4.435 1.00 0.00 H new ATOM 200 N ILE A 12 -11.493 3.413 4.597 1.00 0.00 N ATOM 201 CA ILE A 12 -10.832 4.379 3.672 1.00 0.00 C ATOM 202 C ILE A 12 -9.636 5.016 4.391 1.00 0.00 C ATOM 203 O ILE A 12 -9.677 5.265 5.584 1.00 0.00 O ATOM 204 CB ILE A 12 -11.846 5.459 3.245 1.00 0.00 C ATOM 205 CG1 ILE A 12 -12.467 5.069 1.899 1.00 0.00 C ATOM 206 CG2 ILE A 12 -11.162 6.826 3.104 1.00 0.00 C ATOM 207 CD1 ILE A 12 -13.949 4.749 2.092 1.00 0.00 C ATOM 0 H ILE A 12 -11.334 3.597 5.588 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.479 3.864 2.779 1.00 0.00 H new ATOM 0 HB ILE A 12 -12.618 5.530 4.011 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.350 5.883 1.184 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.949 4.204 1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.898 7.571 2.802 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -10.725 7.114 4.060 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.377 6.764 2.350 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -14.389 4.472 1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -14.054 3.921 2.793 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -14.462 5.626 2.487 1.00 0.00 H new ATOM 219 N VAL A 13 -8.579 5.284 3.668 1.00 0.00 N ATOM 220 CA VAL A 13 -7.376 5.908 4.292 1.00 0.00 C ATOM 221 C VAL A 13 -7.519 7.429 4.218 1.00 0.00 C ATOM 222 O VAL A 13 -7.565 7.999 3.145 1.00 0.00 O ATOM 223 CB VAL A 13 -6.109 5.476 3.542 1.00 0.00 C ATOM 224 CG1 VAL A 13 -4.877 5.809 4.386 1.00 0.00 C ATOM 225 CG2 VAL A 13 -6.147 3.967 3.274 1.00 0.00 C ATOM 0 H VAL A 13 -8.498 5.096 2.669 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.295 5.588 5.331 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.059 6.008 2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.977 5.502 3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.841 6.883 4.570 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.934 5.280 5.337 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.244 3.669 2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.203 3.431 4.221 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.021 3.727 2.669 1.00 0.00 H new ATOM 235 N VAL A 14 -7.594 8.085 5.348 1.00 0.00 N ATOM 236 CA VAL A 14 -7.738 9.571 5.346 1.00 0.00 C ATOM 237 C VAL A 14 -6.505 10.219 5.992 1.00 0.00 C ATOM 238 O VAL A 14 -5.659 9.550 6.554 1.00 0.00 O ATOM 239 CB VAL A 14 -9.005 9.976 6.120 1.00 0.00 C ATOM 240 CG1 VAL A 14 -10.241 9.396 5.426 1.00 0.00 C ATOM 241 CG2 VAL A 14 -8.938 9.445 7.556 1.00 0.00 C ATOM 0 H VAL A 14 -7.562 7.655 6.272 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.823 9.916 4.316 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.071 11.064 6.141 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.136 9.685 5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.301 9.781 4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.166 8.309 5.399 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.839 9.737 8.094 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.862 8.358 7.539 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.065 9.862 8.058 1.00 0.00 H new ATOM 251 N LYS A 15 -6.407 11.522 5.906 1.00 0.00 N ATOM 252 CA LYS A 15 -5.244 12.247 6.503 1.00 0.00 C ATOM 253 C LYS A 15 -5.727 13.149 7.641 1.00 0.00 C ATOM 254 O LYS A 15 -6.913 13.367 7.821 1.00 0.00 O ATOM 255 CB LYS A 15 -4.565 13.107 5.430 1.00 0.00 C ATOM 256 CG LYS A 15 -4.209 12.242 4.216 1.00 0.00 C ATOM 257 CD LYS A 15 -3.412 13.075 3.207 1.00 0.00 C ATOM 258 CE LYS A 15 -4.345 14.059 2.492 1.00 0.00 C ATOM 259 NZ LYS A 15 -5.068 13.360 1.389 1.00 0.00 N ATOM 0 H LYS A 15 -7.091 12.120 5.443 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.532 11.519 6.892 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.228 13.918 5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.664 13.567 5.836 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.625 11.378 4.532 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.117 11.860 3.750 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.618 13.619 3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.933 12.420 2.479 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.060 14.476 3.201 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.770 14.893 2.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.553 14.061 0.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.388 12.826 0.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.768 12.705 1.793 1.00 0.00 H new ATOM 273 N ASP A 16 -4.806 13.668 8.407 1.00 0.00 N ATOM 274 CA ASP A 16 -5.173 14.559 9.545 1.00 0.00 C ATOM 275 C ASP A 16 -3.965 15.417 9.933 1.00 0.00 C ATOM 276 O ASP A 16 -2.834 15.096 9.606 1.00 0.00 O ATOM 277 CB ASP A 16 -5.596 13.699 10.743 1.00 0.00 C ATOM 278 CG ASP A 16 -6.422 14.538 11.724 1.00 0.00 C ATOM 279 OD1 ASP A 16 -7.607 14.701 11.484 1.00 0.00 O ATOM 280 OD2 ASP A 16 -5.854 15.002 12.700 1.00 0.00 O ATOM 0 H ASP A 16 -3.805 13.511 8.292 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.997 15.208 9.251 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.180 12.845 10.400 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.714 13.301 11.245 1.00 0.00 H new ATOM 285 N GLN A 17 -4.201 16.501 10.636 1.00 0.00 N ATOM 286 CA GLN A 17 -3.084 17.394 11.071 1.00 0.00 C ATOM 287 C GLN A 17 -1.994 16.560 11.739 1.00 0.00 C ATOM 288 O GLN A 17 -0.815 16.763 11.511 1.00 0.00 O ATOM 289 CB GLN A 17 -3.615 18.418 12.075 1.00 0.00 C ATOM 290 CG GLN A 17 -3.653 19.805 11.427 1.00 0.00 C ATOM 291 CD GLN A 17 -4.388 20.782 12.349 1.00 0.00 C ATOM 292 OE1 GLN A 17 -5.555 21.056 12.154 1.00 0.00 O ATOM 293 NE2 GLN A 17 -3.750 21.324 13.351 1.00 0.00 N ATOM 0 H GLN A 17 -5.130 16.806 10.928 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.672 17.907 10.202 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.614 18.133 12.406 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.979 18.437 12.960 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.639 20.158 11.240 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.155 19.753 10.461 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.770 21.095 13.516 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.232 21.977 13.969 1.00 0.00 H new ATOM 302 N ASN A 18 -2.391 15.628 12.562 1.00 0.00 N ATOM 303 CA ASN A 18 -1.401 14.766 13.263 1.00 0.00 C ATOM 304 C ASN A 18 -0.699 13.836 12.262 1.00 0.00 C ATOM 305 O ASN A 18 0.516 13.752 12.250 1.00 0.00 O ATOM 306 CB ASN A 18 -2.112 13.929 14.330 1.00 0.00 C ATOM 307 CG ASN A 18 -2.375 14.792 15.568 1.00 0.00 C ATOM 308 OD1 ASN A 18 -1.589 14.799 16.495 1.00 0.00 O ATOM 309 ND2 ASN A 18 -3.454 15.525 15.623 1.00 0.00 N ATOM 0 H ASN A 18 -3.367 15.426 12.780 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.653 15.403 13.736 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.052 13.543 13.937 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.501 13.067 14.598 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.637 16.103 16.443 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.114 15.520 14.846 1.00 0.00 H new ATOM 316 N GLU A 19 -1.448 13.136 11.428 1.00 0.00 N ATOM 317 CA GLU A 19 -0.822 12.207 10.436 1.00 0.00 C ATOM 318 C GLU A 19 -1.921 11.441 9.686 1.00 0.00 C ATOM 319 O GLU A 19 -3.102 11.686 9.868 1.00 0.00 O ATOM 320 CB GLU A 19 0.090 11.202 11.161 1.00 0.00 C ATOM 321 CG GLU A 19 -0.672 10.543 12.319 1.00 0.00 C ATOM 322 CD GLU A 19 -0.082 9.159 12.607 1.00 0.00 C ATOM 323 OE1 GLU A 19 -0.444 8.224 11.909 1.00 0.00 O ATOM 324 OE2 GLU A 19 0.719 9.054 13.522 1.00 0.00 O ATOM 0 H GLU A 19 -2.467 13.173 11.397 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.230 12.788 9.730 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.435 10.440 10.461 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.976 11.711 11.541 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.609 11.168 13.210 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.729 10.453 12.067 1.00 0.00 H new ATOM 331 N GLU A 20 -1.535 10.508 8.854 1.00 0.00 N ATOM 332 CA GLU A 20 -2.536 9.704 8.091 1.00 0.00 C ATOM 333 C GLU A 20 -3.289 8.781 9.055 1.00 0.00 C ATOM 334 O GLU A 20 -2.699 8.167 9.927 1.00 0.00 O ATOM 335 CB GLU A 20 -1.823 8.864 7.030 1.00 0.00 C ATOM 336 CG GLU A 20 -2.807 8.502 5.914 1.00 0.00 C ATOM 337 CD GLU A 20 -2.102 7.645 4.858 1.00 0.00 C ATOM 338 OE1 GLU A 20 -1.926 6.461 5.104 1.00 0.00 O ATOM 339 OE2 GLU A 20 -1.752 8.185 3.821 1.00 0.00 O ATOM 0 H GLU A 20 -0.561 10.267 8.669 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.242 10.375 7.602 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.980 9.419 6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.419 7.957 7.481 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.657 7.959 6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.201 9.409 5.456 1.00 0.00 H new ATOM 346 N LYS A 21 -4.587 8.684 8.900 1.00 0.00 N ATOM 347 CA LYS A 21 -5.400 7.808 9.797 1.00 0.00 C ATOM 348 C LYS A 21 -6.356 6.948 8.961 1.00 0.00 C ATOM 349 O LYS A 21 -6.903 7.393 7.971 1.00 0.00 O ATOM 350 CB LYS A 21 -6.218 8.660 10.783 1.00 0.00 C ATOM 351 CG LYS A 21 -6.459 10.066 10.217 1.00 0.00 C ATOM 352 CD LYS A 21 -7.672 10.698 10.906 1.00 0.00 C ATOM 353 CE LYS A 21 -7.295 11.116 12.330 1.00 0.00 C ATOM 354 NZ LYS A 21 -8.401 11.919 12.925 1.00 0.00 N ATOM 0 H LYS A 21 -5.121 9.178 8.185 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.722 7.165 10.357 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.173 8.175 10.984 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.690 8.731 11.734 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.576 10.687 10.371 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.627 10.012 9.141 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.013 11.565 10.340 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.499 9.988 10.932 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.104 10.233 12.940 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.375 11.700 12.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.043 12.859 13.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.167 12.024 12.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.765 11.435 13.770 1.00 0.00 H new ATOM 368 N ILE A 22 -6.565 5.719 9.368 1.00 0.00 N ATOM 369 CA ILE A 22 -7.491 4.815 8.626 1.00 0.00 C ATOM 370 C ILE A 22 -8.901 4.970 9.201 1.00 0.00 C ATOM 371 O ILE A 22 -9.115 4.823 10.391 1.00 0.00 O ATOM 372 CB ILE A 22 -7.028 3.359 8.776 1.00 0.00 C ATOM 373 CG1 ILE A 22 -5.742 3.138 7.968 1.00 0.00 C ATOM 374 CG2 ILE A 22 -8.124 2.414 8.273 1.00 0.00 C ATOM 375 CD1 ILE A 22 -6.026 3.284 6.470 1.00 0.00 C ATOM 0 H ILE A 22 -6.128 5.303 10.190 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.492 5.078 7.568 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.830 3.152 9.828 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.984 3.859 8.274 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.340 2.146 8.174 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.792 1.381 8.381 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -9.032 2.566 8.857 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.329 2.621 7.223 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.106 3.125 5.908 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.769 2.546 6.167 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.406 4.285 6.268 1.00 0.00 H new ATOM 387 N LEU A 23 -9.861 5.268 8.364 1.00 0.00 N ATOM 388 CA LEU A 23 -11.259 5.439 8.852 1.00 0.00 C ATOM 389 C LEU A 23 -12.086 4.197 8.507 1.00 0.00 C ATOM 390 O LEU A 23 -12.256 3.853 7.351 1.00 0.00 O ATOM 391 CB LEU A 23 -11.879 6.678 8.198 1.00 0.00 C ATOM 392 CG LEU A 23 -12.191 7.729 9.269 1.00 0.00 C ATOM 393 CD1 LEU A 23 -10.932 8.025 10.091 1.00 0.00 C ATOM 394 CD2 LEU A 23 -12.664 9.013 8.590 1.00 0.00 C ATOM 0 H LEU A 23 -9.735 5.400 7.361 1.00 0.00 H new ATOM 0 HA LEU A 23 -11.252 5.568 9.934 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.193 7.092 7.458 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.791 6.403 7.669 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.970 7.350 9.930 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.161 8.773 10.850 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.590 7.110 10.574 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.149 8.403 9.434 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -12.887 9.764 9.348 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.881 9.385 7.930 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -13.562 8.807 8.007 1.00 0.00 H new ATOM 406 N LEU A 24 -12.600 3.525 9.511 1.00 0.00 N ATOM 407 CA LEU A 24 -13.422 2.303 9.269 1.00 0.00 C ATOM 408 C LEU A 24 -14.848 2.546 9.770 1.00 0.00 C ATOM 409 O LEU A 24 -15.115 2.506 10.957 1.00 0.00 O ATOM 410 CB LEU A 24 -12.815 1.103 10.015 1.00 0.00 C ATOM 411 CG LEU A 24 -11.294 1.070 9.823 1.00 0.00 C ATOM 412 CD1 LEU A 24 -10.676 0.098 10.830 1.00 0.00 C ATOM 413 CD2 LEU A 24 -10.968 0.606 8.401 1.00 0.00 C ATOM 0 H LEU A 24 -12.483 3.775 10.493 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.437 2.087 8.201 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.053 1.168 11.077 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -13.255 0.177 9.646 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.886 2.068 9.981 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.595 0.073 10.695 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.908 0.427 11.843 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.085 -0.900 10.670 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.887 0.583 8.265 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.375 -0.392 8.242 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.409 1.297 7.683 1.00 0.00 H new ATOM 425 N GLY A 25 -15.763 2.797 8.866 1.00 0.00 N ATOM 426 CA GLY A 25 -17.180 3.044 9.261 1.00 0.00 C ATOM 427 C GLY A 25 -18.105 2.416 8.220 1.00 0.00 C ATOM 428 O GLY A 25 -17.996 2.696 7.043 1.00 0.00 O ATOM 0 H GLY A 25 -15.585 2.841 7.863 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.376 2.617 10.245 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -17.369 4.115 9.335 1.00 0.00 H new ATOM 432 N ALA A 26 -19.003 1.561 8.649 1.00 0.00 N ATOM 433 CA ALA A 26 -19.944 0.889 7.701 1.00 0.00 C ATOM 434 C ALA A 26 -20.669 1.934 6.846 1.00 0.00 C ATOM 435 O ALA A 26 -21.605 2.582 7.283 1.00 0.00 O ATOM 436 CB ALA A 26 -20.970 0.071 8.485 1.00 0.00 C ATOM 0 H ALA A 26 -19.124 1.298 9.627 1.00 0.00 H new ATOM 0 HA ALA A 26 -19.373 0.228 7.048 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -21.654 -0.417 7.790 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -20.456 -0.685 9.079 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -21.533 0.730 9.145 1.00 0.00 H new ATOM 442 N GLY A 27 -20.230 2.086 5.625 1.00 0.00 N ATOM 443 CA GLY A 27 -20.859 3.067 4.695 1.00 0.00 C ATOM 444 C GLY A 27 -20.054 4.376 4.653 1.00 0.00 C ATOM 445 O GLY A 27 -20.554 5.390 4.202 1.00 0.00 O ATOM 0 H GLY A 27 -19.450 1.563 5.227 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.918 2.639 3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -21.881 3.274 5.014 1.00 0.00 H new ATOM 449 N ILE A 28 -18.818 4.366 5.108 1.00 0.00 N ATOM 450 CA ILE A 28 -17.994 5.599 5.083 1.00 0.00 C ATOM 451 C ILE A 28 -17.714 5.988 3.626 1.00 0.00 C ATOM 452 O ILE A 28 -17.763 7.151 3.274 1.00 0.00 O ATOM 453 CB ILE A 28 -16.688 5.331 5.847 1.00 0.00 C ATOM 454 CG1 ILE A 28 -16.184 6.634 6.440 1.00 0.00 C ATOM 455 CG2 ILE A 28 -15.616 4.749 4.919 1.00 0.00 C ATOM 456 CD1 ILE A 28 -16.093 6.502 7.959 1.00 0.00 C ATOM 0 H ILE A 28 -18.352 3.546 5.496 1.00 0.00 H new ATOM 0 HA ILE A 28 -18.518 6.426 5.562 1.00 0.00 H new ATOM 0 HB ILE A 28 -16.889 4.607 6.636 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -15.206 6.879 6.027 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -16.856 7.450 6.175 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -14.703 4.569 5.486 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -15.972 3.809 4.496 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -15.410 5.454 4.114 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -15.731 7.438 8.385 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -17.079 6.277 8.364 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -15.404 5.697 8.214 1.00 0.00 H new ATOM 468 N ALA A 29 -17.448 5.015 2.776 1.00 0.00 N ATOM 469 CA ALA A 29 -17.192 5.309 1.330 1.00 0.00 C ATOM 470 C ALA A 29 -18.443 5.954 0.728 1.00 0.00 C ATOM 471 O ALA A 29 -18.360 6.743 -0.194 1.00 0.00 O ATOM 472 CB ALA A 29 -16.875 4.010 0.584 1.00 0.00 C ATOM 0 H ALA A 29 -17.398 4.028 3.028 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.343 5.986 1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -16.690 4.230 -0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.989 3.547 1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -17.720 3.327 0.668 1.00 0.00 H new ATOM 478 N PHE A 30 -19.601 5.638 1.262 1.00 0.00 N ATOM 479 CA PHE A 30 -20.857 6.247 0.749 1.00 0.00 C ATOM 480 C PHE A 30 -20.995 7.647 1.357 1.00 0.00 C ATOM 481 O PHE A 30 -20.779 7.836 2.541 1.00 0.00 O ATOM 482 CB PHE A 30 -22.056 5.384 1.159 1.00 0.00 C ATOM 483 CG PHE A 30 -23.277 5.806 0.374 1.00 0.00 C ATOM 484 CD1 PHE A 30 -23.519 5.260 -0.893 1.00 0.00 C ATOM 485 CD2 PHE A 30 -24.167 6.742 0.914 1.00 0.00 C ATOM 486 CE1 PHE A 30 -24.649 5.650 -1.619 1.00 0.00 C ATOM 487 CE2 PHE A 30 -25.298 7.133 0.187 1.00 0.00 C ATOM 488 CZ PHE A 30 -25.539 6.587 -1.079 1.00 0.00 C ATOM 0 H PHE A 30 -19.723 4.982 2.033 1.00 0.00 H new ATOM 0 HA PHE A 30 -20.827 6.310 -0.339 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -21.839 4.332 0.975 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -22.244 5.489 2.228 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -22.833 4.538 -1.309 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -23.981 7.162 1.891 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -24.835 5.229 -2.596 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -25.984 7.856 0.603 1.00 0.00 H new ATOM 0 HZ PHE A 30 -26.412 6.888 -1.640 1.00 0.00 H new ATOM 498 N ASN A 31 -21.345 8.621 0.547 1.00 0.00 N ATOM 499 CA ASN A 31 -21.509 10.030 1.040 1.00 0.00 C ATOM 500 C ASN A 31 -20.141 10.723 1.173 1.00 0.00 C ATOM 501 O ASN A 31 -19.965 11.614 1.986 1.00 0.00 O ATOM 502 CB ASN A 31 -22.230 10.025 2.397 1.00 0.00 C ATOM 503 CG ASN A 31 -22.894 11.384 2.639 1.00 0.00 C ATOM 504 OD1 ASN A 31 -22.436 12.160 3.454 1.00 0.00 O ATOM 505 ND2 ASN A 31 -23.962 11.707 1.961 1.00 0.00 N ATOM 0 H ASN A 31 -21.527 8.498 -0.449 1.00 0.00 H new ATOM 0 HA ASN A 31 -22.106 10.585 0.316 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -22.981 9.235 2.417 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -21.520 9.810 3.195 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -24.411 12.610 2.116 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -24.348 11.057 1.276 1.00 0.00 H new ATOM 512 N LYS A 32 -19.181 10.335 0.369 1.00 0.00 N ATOM 513 CA LYS A 32 -17.829 10.979 0.436 1.00 0.00 C ATOM 514 C LYS A 32 -17.159 10.960 -0.948 1.00 0.00 C ATOM 515 O LYS A 32 -17.705 10.449 -1.911 1.00 0.00 O ATOM 516 CB LYS A 32 -16.944 10.224 1.446 1.00 0.00 C ATOM 517 CG LYS A 32 -16.633 8.821 0.915 1.00 0.00 C ATOM 518 CD LYS A 32 -15.202 8.773 0.375 1.00 0.00 C ATOM 519 CE LYS A 32 -15.205 8.162 -1.027 1.00 0.00 C ATOM 520 NZ LYS A 32 -13.802 7.953 -1.483 1.00 0.00 N ATOM 0 H LYS A 32 -19.274 9.600 -0.332 1.00 0.00 H new ATOM 0 HA LYS A 32 -17.949 12.014 0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -16.017 10.773 1.614 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -17.452 10.155 2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -16.755 8.086 1.711 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -17.337 8.557 0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.780 9.777 0.344 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.571 8.182 1.039 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -15.741 7.213 -1.020 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -15.729 8.820 -1.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.797 7.331 -2.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.378 8.869 -1.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.251 7.513 -0.719 1.00 0.00 H new ATOM 534 N LYS A 33 -15.970 11.512 -1.039 1.00 0.00 N ATOM 535 CA LYS A 33 -15.231 11.538 -2.337 1.00 0.00 C ATOM 536 C LYS A 33 -13.722 11.611 -2.065 1.00 0.00 C ATOM 537 O LYS A 33 -13.296 11.825 -0.943 1.00 0.00 O ATOM 538 CB LYS A 33 -15.664 12.765 -3.149 1.00 0.00 C ATOM 539 CG LYS A 33 -16.627 12.335 -4.260 1.00 0.00 C ATOM 540 CD LYS A 33 -18.011 12.938 -4.003 1.00 0.00 C ATOM 541 CE LYS A 33 -19.064 12.168 -4.804 1.00 0.00 C ATOM 542 NZ LYS A 33 -19.119 12.697 -6.198 1.00 0.00 N ATOM 0 H LYS A 33 -15.478 11.949 -0.259 1.00 0.00 H new ATOM 0 HA LYS A 33 -15.456 10.632 -2.901 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.147 13.493 -2.497 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -14.791 13.254 -3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.250 12.664 -5.229 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -16.694 11.248 -4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.246 12.895 -2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -18.019 13.990 -4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -18.820 11.106 -4.817 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -20.040 12.265 -4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -19.835 12.173 -6.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -19.371 13.706 -6.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -18.189 12.582 -6.650 1.00 0.00 H new ATOM 556 N LYS A 34 -12.910 11.436 -3.083 1.00 0.00 N ATOM 557 CA LYS A 34 -11.430 11.496 -2.890 1.00 0.00 C ATOM 558 C LYS A 34 -11.024 12.905 -2.463 1.00 0.00 C ATOM 559 O LYS A 34 -11.364 13.887 -3.101 1.00 0.00 O ATOM 560 CB LYS A 34 -10.715 11.123 -4.194 1.00 0.00 C ATOM 561 CG LYS A 34 -9.199 11.159 -3.972 1.00 0.00 C ATOM 562 CD LYS A 34 -8.531 10.053 -4.792 1.00 0.00 C ATOM 563 CE LYS A 34 -7.033 10.349 -4.933 1.00 0.00 C ATOM 564 NZ LYS A 34 -6.393 10.378 -3.584 1.00 0.00 N ATOM 0 H LYS A 34 -13.213 11.254 -4.040 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.143 10.787 -2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.023 10.129 -4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.994 11.818 -4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.802 12.131 -4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.974 11.027 -2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.677 9.088 -4.306 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.993 9.987 -5.777 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.560 9.588 -5.554 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.888 11.306 -5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.361 10.443 -3.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.739 11.203 -3.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.633 9.508 -3.067 1.00 0.00 H new ATOM 578 N ASN A 35 -10.305 12.993 -1.370 1.00 0.00 N ATOM 579 CA ASN A 35 -9.848 14.309 -0.833 1.00 0.00 C ATOM 580 C ASN A 35 -11.034 15.096 -0.245 1.00 0.00 C ATOM 581 O ASN A 35 -10.892 16.246 0.132 1.00 0.00 O ATOM 582 CB ASN A 35 -9.175 15.126 -1.944 1.00 0.00 C ATOM 583 CG ASN A 35 -7.744 15.478 -1.527 1.00 0.00 C ATOM 584 OD1 ASN A 35 -6.796 15.071 -2.168 1.00 0.00 O ATOM 585 ND2 ASN A 35 -7.545 16.223 -0.472 1.00 0.00 N ATOM 0 H ASN A 35 -10.010 12.188 -0.817 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.126 14.125 -0.038 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.164 14.556 -2.873 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.743 16.036 -2.135 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.595 16.462 -0.188 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.340 16.566 0.068 1.00 0.00 H new ATOM 592 N ASP A 36 -12.194 14.481 -0.146 1.00 0.00 N ATOM 593 CA ASP A 36 -13.377 15.179 0.431 1.00 0.00 C ATOM 594 C ASP A 36 -13.405 14.938 1.943 1.00 0.00 C ATOM 595 O ASP A 36 -12.856 13.968 2.435 1.00 0.00 O ATOM 596 CB ASP A 36 -14.657 14.622 -0.206 1.00 0.00 C ATOM 597 CG ASP A 36 -15.857 15.496 0.175 1.00 0.00 C ATOM 598 OD1 ASP A 36 -16.009 16.553 -0.417 1.00 0.00 O ATOM 599 OD2 ASP A 36 -16.606 15.092 1.050 1.00 0.00 O ATOM 0 H ASP A 36 -12.365 13.521 -0.444 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.314 16.249 0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -14.549 14.591 -1.290 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -14.823 13.598 0.127 1.00 0.00 H new ATOM 604 N ILE A 37 -14.036 15.812 2.682 1.00 0.00 N ATOM 605 CA ILE A 37 -14.096 15.637 4.163 1.00 0.00 C ATOM 606 C ILE A 37 -15.082 14.517 4.502 1.00 0.00 C ATOM 607 O ILE A 37 -16.169 14.439 3.957 1.00 0.00 O ATOM 608 CB ILE A 37 -14.543 16.934 4.852 1.00 0.00 C ATOM 609 CG1 ILE A 37 -13.928 18.160 4.152 1.00 0.00 C ATOM 610 CG2 ILE A 37 -14.095 16.907 6.316 1.00 0.00 C ATOM 611 CD1 ILE A 37 -12.398 18.053 4.147 1.00 0.00 C ATOM 0 H ILE A 37 -14.513 16.640 2.324 1.00 0.00 H new ATOM 0 HA ILE A 37 -13.099 15.381 4.521 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.629 17.007 4.794 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -14.299 18.228 3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -14.235 19.072 4.664 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -14.410 17.826 6.810 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -14.546 16.052 6.819 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -13.009 16.824 6.363 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.974 18.925 3.650 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.033 18.007 5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.098 17.150 3.615 1.00 0.00 H new ATOM 623 N VAL A 38 -14.698 13.651 5.403 1.00 0.00 N ATOM 624 CA VAL A 38 -15.588 12.520 5.802 1.00 0.00 C ATOM 625 C VAL A 38 -16.488 12.945 6.963 1.00 0.00 C ATOM 626 O VAL A 38 -16.042 13.536 7.933 1.00 0.00 O ATOM 627 CB VAL A 38 -14.742 11.307 6.231 1.00 0.00 C ATOM 628 CG1 VAL A 38 -13.904 11.656 7.464 1.00 0.00 C ATOM 629 CG2 VAL A 38 -15.665 10.138 6.584 1.00 0.00 C ATOM 0 H VAL A 38 -13.799 13.679 5.883 1.00 0.00 H new ATOM 0 HA VAL A 38 -16.206 12.245 4.947 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.083 11.033 5.407 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.310 10.790 7.757 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.240 12.488 7.229 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -14.564 11.938 8.284 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -15.065 9.280 6.888 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -16.323 10.429 7.403 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -16.265 9.872 5.713 1.00 0.00 H new ATOM 639 N ASP A 39 -17.750 12.619 6.874 1.00 0.00 N ATOM 640 CA ASP A 39 -18.699 12.960 7.968 1.00 0.00 C ATOM 641 C ASP A 39 -18.386 12.056 9.167 1.00 0.00 C ATOM 642 O ASP A 39 -18.112 10.883 8.993 1.00 0.00 O ATOM 643 CB ASP A 39 -20.136 12.718 7.489 1.00 0.00 C ATOM 644 CG ASP A 39 -21.117 13.513 8.354 1.00 0.00 C ATOM 645 OD1 ASP A 39 -21.306 14.687 8.077 1.00 0.00 O ATOM 646 OD2 ASP A 39 -21.666 12.935 9.277 1.00 0.00 O ATOM 0 H ASP A 39 -18.165 12.127 6.083 1.00 0.00 H new ATOM 0 HA ASP A 39 -18.597 14.007 8.253 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -20.235 13.016 6.445 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -20.371 11.655 7.541 1.00 0.00 H new ATOM 651 N PRO A 40 -18.419 12.622 10.348 1.00 0.00 N ATOM 652 CA PRO A 40 -18.123 11.875 11.587 1.00 0.00 C ATOM 653 C PRO A 40 -19.264 10.912 11.936 1.00 0.00 C ATOM 654 O PRO A 40 -19.045 9.894 12.569 1.00 0.00 O ATOM 655 CB PRO A 40 -17.969 12.971 12.643 1.00 0.00 C ATOM 656 CG PRO A 40 -18.720 14.206 12.096 1.00 0.00 C ATOM 657 CD PRO A 40 -18.768 14.041 10.566 1.00 0.00 C ATOM 0 HA PRO A 40 -17.234 11.249 11.504 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -18.387 12.653 13.598 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -16.917 13.200 12.816 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -19.726 14.265 12.512 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -18.206 15.127 12.372 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -19.757 14.274 10.170 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -18.061 14.707 10.070 1.00 0.00 H new ATOM 665 N SER A 41 -20.474 11.217 11.520 1.00 0.00 N ATOM 666 CA SER A 41 -21.629 10.310 11.813 1.00 0.00 C ATOM 667 C SER A 41 -21.342 8.916 11.237 1.00 0.00 C ATOM 668 O SER A 41 -21.704 7.911 11.822 1.00 0.00 O ATOM 669 CB SER A 41 -22.904 10.875 11.180 1.00 0.00 C ATOM 670 OG SER A 41 -24.039 10.302 11.817 1.00 0.00 O ATOM 0 H SER A 41 -20.709 12.056 10.990 1.00 0.00 H new ATOM 0 HA SER A 41 -21.767 10.237 12.892 1.00 0.00 H new ATOM 0 HB2 SER A 41 -22.924 11.960 11.282 1.00 0.00 H new ATOM 0 HB3 SER A 41 -22.922 10.655 10.113 1.00 0.00 H new ATOM 0 HG SER A 41 -24.857 10.663 11.415 1.00 0.00 H new ATOM 676 N LYS A 42 -20.681 8.853 10.101 1.00 0.00 N ATOM 677 CA LYS A 42 -20.352 7.530 9.486 1.00 0.00 C ATOM 678 C LYS A 42 -19.004 7.019 10.024 1.00 0.00 C ATOM 679 O LYS A 42 -18.742 5.830 10.001 1.00 0.00 O ATOM 680 CB LYS A 42 -20.299 7.653 7.955 1.00 0.00 C ATOM 681 CG LYS A 42 -19.268 8.706 7.539 1.00 0.00 C ATOM 682 CD LYS A 42 -19.114 8.691 6.017 1.00 0.00 C ATOM 683 CE LYS A 42 -19.732 9.957 5.424 1.00 0.00 C ATOM 684 NZ LYS A 42 -18.961 10.365 4.216 1.00 0.00 N ATOM 0 H LYS A 42 -20.356 9.664 9.575 1.00 0.00 H new ATOM 0 HA LYS A 42 -21.132 6.816 9.752 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -20.042 6.689 7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -21.282 7.926 7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -19.585 9.694 7.874 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -18.309 8.500 8.015 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -18.059 8.630 5.749 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -19.600 7.808 5.601 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -20.774 9.777 5.160 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -19.724 10.759 6.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -19.557 10.965 3.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -18.116 10.897 4.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.671 9.518 3.687 1.00 0.00 H new ATOM 698 N ILE A 43 -18.157 7.902 10.519 1.00 0.00 N ATOM 699 CA ILE A 43 -16.835 7.462 11.072 1.00 0.00 C ATOM 700 C ILE A 43 -17.074 6.591 12.308 1.00 0.00 C ATOM 701 O ILE A 43 -17.496 7.067 13.348 1.00 0.00 O ATOM 702 CB ILE A 43 -15.994 8.685 11.459 1.00 0.00 C ATOM 703 CG1 ILE A 43 -15.620 9.466 10.196 1.00 0.00 C ATOM 704 CG2 ILE A 43 -14.714 8.224 12.166 1.00 0.00 C ATOM 705 CD1 ILE A 43 -15.131 10.863 10.582 1.00 0.00 C ATOM 0 H ILE A 43 -18.328 8.907 10.562 1.00 0.00 H new ATOM 0 HA ILE A 43 -16.298 6.890 10.315 1.00 0.00 H new ATOM 0 HB ILE A 43 -16.571 9.324 12.128 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -14.842 8.937 9.646 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -16.483 9.542 9.534 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -14.117 9.093 12.441 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -14.976 7.665 13.064 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -14.138 7.585 11.496 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -14.865 11.417 9.682 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -15.922 11.392 11.113 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -14.256 10.777 11.227 1.00 0.00 H new ATOM 717 N GLU A 44 -16.804 5.317 12.191 1.00 0.00 N ATOM 718 CA GLU A 44 -17.003 4.386 13.338 1.00 0.00 C ATOM 719 C GLU A 44 -15.657 4.103 14.010 1.00 0.00 C ATOM 720 O GLU A 44 -15.596 3.825 15.194 1.00 0.00 O ATOM 721 CB GLU A 44 -17.600 3.074 12.828 1.00 0.00 C ATOM 722 CG GLU A 44 -19.061 3.295 12.430 1.00 0.00 C ATOM 723 CD GLU A 44 -19.834 1.977 12.547 1.00 0.00 C ATOM 724 OE1 GLU A 44 -20.360 1.714 13.617 1.00 0.00 O ATOM 725 OE2 GLU A 44 -19.890 1.254 11.565 1.00 0.00 O ATOM 0 H GLU A 44 -16.451 4.879 11.340 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.680 4.841 14.061 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -17.030 2.712 11.972 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -17.535 2.308 13.601 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -19.513 4.051 13.073 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -19.117 3.671 11.408 1.00 0.00 H new ATOM 732 N LYS A 45 -14.581 4.163 13.259 1.00 0.00 N ATOM 733 CA LYS A 45 -13.233 3.889 13.846 1.00 0.00 C ATOM 734 C LYS A 45 -12.182 4.824 13.234 1.00 0.00 C ATOM 735 O LYS A 45 -12.265 5.202 12.078 1.00 0.00 O ATOM 736 CB LYS A 45 -12.842 2.434 13.565 1.00 0.00 C ATOM 737 CG LYS A 45 -13.059 1.592 14.824 1.00 0.00 C ATOM 738 CD LYS A 45 -13.057 0.108 14.452 1.00 0.00 C ATOM 739 CE LYS A 45 -13.169 -0.738 15.722 1.00 0.00 C ATOM 740 NZ LYS A 45 -12.875 -2.163 15.402 1.00 0.00 N ATOM 0 H LYS A 45 -14.580 4.390 12.265 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.276 4.062 14.921 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.439 2.039 12.743 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.798 2.381 13.255 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.273 1.797 15.551 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.006 1.859 15.294 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.889 -0.111 13.782 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.142 -0.142 13.916 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.472 -0.373 16.477 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.170 -0.649 16.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.238 -2.772 16.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.334 -2.419 14.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.847 -2.294 15.315 1.00 0.00 H new ATOM 754 N THR A 46 -11.188 5.188 14.011 1.00 0.00 N ATOM 755 CA THR A 46 -10.109 6.087 13.506 1.00 0.00 C ATOM 756 C THR A 46 -8.747 5.492 13.890 1.00 0.00 C ATOM 757 O THR A 46 -8.279 5.647 15.006 1.00 0.00 O ATOM 758 CB THR A 46 -10.268 7.487 14.121 1.00 0.00 C ATOM 759 OG1 THR A 46 -11.561 7.999 13.817 1.00 0.00 O ATOM 760 CG2 THR A 46 -9.200 8.425 13.552 1.00 0.00 C ATOM 0 H THR A 46 -11.081 4.896 14.982 1.00 0.00 H new ATOM 0 HA THR A 46 -10.176 6.174 12.422 1.00 0.00 H new ATOM 0 HB THR A 46 -10.150 7.419 15.202 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.661 8.891 14.211 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.316 9.416 13.990 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.210 8.036 13.790 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.313 8.491 12.470 1.00 0.00 H new ATOM 768 N PHE A 47 -8.118 4.803 12.969 1.00 0.00 N ATOM 769 CA PHE A 47 -6.793 4.178 13.246 1.00 0.00 C ATOM 770 C PHE A 47 -5.673 5.111 12.779 1.00 0.00 C ATOM 771 O PHE A 47 -5.853 5.916 11.889 1.00 0.00 O ATOM 772 CB PHE A 47 -6.689 2.854 12.487 1.00 0.00 C ATOM 773 CG PHE A 47 -7.368 1.749 13.262 1.00 0.00 C ATOM 774 CD1 PHE A 47 -8.746 1.803 13.514 1.00 0.00 C ATOM 775 CD2 PHE A 47 -6.615 0.664 13.725 1.00 0.00 C ATOM 776 CE1 PHE A 47 -9.365 0.772 14.229 1.00 0.00 C ATOM 777 CE2 PHE A 47 -7.236 -0.366 14.439 1.00 0.00 C ATOM 778 CZ PHE A 47 -8.610 -0.312 14.691 1.00 0.00 C ATOM 0 H PHE A 47 -8.474 4.647 12.026 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.696 4.001 14.317 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.149 2.954 11.504 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.641 2.602 12.324 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.329 2.639 13.157 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.553 0.622 13.531 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.426 0.813 14.425 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.654 -1.203 14.796 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.089 -1.107 15.243 1.00 0.00 H new ATOM 788 N ILE A 48 -4.518 5.008 13.384 1.00 0.00 N ATOM 789 CA ILE A 48 -3.368 5.881 12.995 1.00 0.00 C ATOM 790 C ILE A 48 -2.065 5.077 13.107 1.00 0.00 C ATOM 791 O ILE A 48 -1.822 4.412 14.099 1.00 0.00 O ATOM 792 CB ILE A 48 -3.300 7.112 13.914 1.00 0.00 C ATOM 793 CG1 ILE A 48 -4.494 7.114 14.882 1.00 0.00 C ATOM 794 CG2 ILE A 48 -3.330 8.383 13.062 1.00 0.00 C ATOM 795 CD1 ILE A 48 -4.573 8.453 15.608 1.00 0.00 C ATOM 0 H ILE A 48 -4.320 4.350 14.138 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.505 6.220 11.968 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.376 7.078 14.491 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.418 6.933 14.333 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.389 6.305 15.604 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.282 9.257 13.711 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.476 8.387 12.384 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.253 8.411 12.483 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.422 8.446 16.292 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.654 8.616 16.171 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.700 9.255 14.880 1.00 0.00 H new ATOM 807 N ARG A 49 -1.233 5.127 12.091 1.00 0.00 N ATOM 808 CA ARG A 49 0.050 4.357 12.123 1.00 0.00 C ATOM 809 C ARG A 49 1.002 4.964 13.159 1.00 0.00 C ATOM 810 O ARG A 49 1.437 6.096 13.039 1.00 0.00 O ATOM 811 CB ARG A 49 0.713 4.362 10.735 1.00 0.00 C ATOM 812 CG ARG A 49 0.779 5.787 10.176 1.00 0.00 C ATOM 813 CD ARG A 49 2.060 5.953 9.356 1.00 0.00 C ATOM 814 NE ARG A 49 2.500 7.376 9.405 1.00 0.00 N ATOM 815 CZ ARG A 49 3.424 7.751 10.248 1.00 0.00 C ATOM 816 NH1 ARG A 49 3.110 8.008 11.491 1.00 0.00 N ATOM 817 NH2 ARG A 49 4.663 7.873 9.847 1.00 0.00 N ATOM 0 H ARG A 49 -1.389 5.669 11.241 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.170 3.327 12.402 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.718 3.945 10.804 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.150 3.724 10.054 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.093 5.986 9.553 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.760 6.510 10.991 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.843 5.305 9.750 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.885 5.650 8.323 1.00 0.00 H new ATOM 0 HE ARG A 49 2.078 8.060 8.777 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.143 7.916 11.802 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.832 8.301 12.149 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.907 7.675 8.876 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.385 8.166 10.505 1.00 0.00 H new ATOM 928 N MET B 1 -0.224 -11.455 16.494 1.00 0.00 N ATOM 929 CA MET B 1 -0.932 -10.723 15.403 1.00 0.00 C ATOM 930 C MET B 1 -1.746 -11.711 14.560 1.00 0.00 C ATOM 931 O MET B 1 -1.224 -12.693 14.065 1.00 0.00 O ATOM 932 CB MET B 1 0.092 -10.016 14.508 1.00 0.00 C ATOM 933 CG MET B 1 -0.073 -8.499 14.630 1.00 0.00 C ATOM 934 SD MET B 1 1.477 -7.684 14.170 1.00 0.00 S ATOM 935 CE MET B 1 1.344 -7.920 12.381 1.00 0.00 C ATOM 0 H1 MET B 1 0.327 -10.781 17.063 1.00 0.00 H new ATOM 0 H2 MET B 1 -0.921 -11.932 17.101 1.00 0.00 H new ATOM 0 H3 MET B 1 0.416 -12.162 16.079 1.00 0.00 H new ATOM 0 HA MET B 1 -1.602 -9.985 15.844 1.00 0.00 H new ATOM 0 HB2 MET B 1 1.102 -10.306 14.797 1.00 0.00 H new ATOM 0 HB3 MET B 1 -0.044 -10.324 13.471 1.00 0.00 H new ATOM 0 HG2 MET B 1 -0.882 -8.157 13.984 1.00 0.00 H new ATOM 0 HG3 MET B 1 -0.347 -8.233 15.651 1.00 0.00 H new ATOM 0 HE1 MET B 1 1.549 -6.977 11.873 1.00 0.00 H new ATOM 0 HE2 MET B 1 2.066 -8.671 12.058 1.00 0.00 H new ATOM 0 HE3 MET B 1 0.337 -8.254 12.132 1.00 0.00 H new ATOM 947 N LYS B 2 -3.020 -11.453 14.398 1.00 0.00 N ATOM 948 CA LYS B 2 -3.888 -12.355 13.593 1.00 0.00 C ATOM 949 C LYS B 2 -4.888 -11.520 12.787 1.00 0.00 C ATOM 950 O LYS B 2 -5.143 -10.370 13.095 1.00 0.00 O ATOM 951 CB LYS B 2 -4.648 -13.304 14.521 1.00 0.00 C ATOM 952 CG LYS B 2 -5.251 -12.527 15.697 1.00 0.00 C ATOM 953 CD LYS B 2 -4.433 -12.791 16.964 1.00 0.00 C ATOM 954 CE LYS B 2 -5.003 -14.006 17.700 1.00 0.00 C ATOM 955 NZ LYS B 2 -4.190 -14.278 18.920 1.00 0.00 N ATOM 0 H LYS B 2 -3.498 -10.644 14.796 1.00 0.00 H new ATOM 0 HA LYS B 2 -3.267 -12.937 12.912 1.00 0.00 H new ATOM 0 HB2 LYS B 2 -5.439 -13.810 13.967 1.00 0.00 H new ATOM 0 HB3 LYS B 2 -3.975 -14.076 14.893 1.00 0.00 H new ATOM 0 HG2 LYS B 2 -5.260 -11.460 15.474 1.00 0.00 H new ATOM 0 HG3 LYS B 2 -6.287 -12.829 15.852 1.00 0.00 H new ATOM 0 HD2 LYS B 2 -3.389 -12.967 16.705 1.00 0.00 H new ATOM 0 HD3 LYS B 2 -4.457 -11.916 17.613 1.00 0.00 H new ATOM 0 HE2 LYS B 2 -6.041 -13.823 17.976 1.00 0.00 H new ATOM 0 HE3 LYS B 2 -4.997 -14.877 17.045 1.00 0.00 H new ATOM 0 HZ1 LYS B 2 -4.578 -15.104 19.419 1.00 0.00 H new ATOM 0 HZ2 LYS B 2 -3.206 -14.471 18.645 1.00 0.00 H new ATOM 0 HZ3 LYS B 2 -4.218 -13.449 19.548 1.00 0.00 H new ATOM 969 N ILE B 3 -5.451 -12.095 11.757 1.00 0.00 N ATOM 970 CA ILE B 3 -6.435 -11.351 10.910 1.00 0.00 C ATOM 971 C ILE B 3 -7.824 -11.401 11.556 1.00 0.00 C ATOM 972 O ILE B 3 -8.502 -12.415 11.535 1.00 0.00 O ATOM 973 CB ILE B 3 -6.471 -11.974 9.504 1.00 0.00 C ATOM 974 CG1 ILE B 3 -5.225 -11.538 8.723 1.00 0.00 C ATOM 975 CG2 ILE B 3 -7.722 -11.506 8.754 1.00 0.00 C ATOM 976 CD1 ILE B 3 -4.097 -12.549 8.937 1.00 0.00 C ATOM 0 H ILE B 3 -5.271 -13.055 11.463 1.00 0.00 H new ATOM 0 HA ILE B 3 -6.131 -10.307 10.828 1.00 0.00 H new ATOM 0 HB ILE B 3 -6.492 -13.060 9.597 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -5.459 -11.460 7.661 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -4.906 -10.549 9.052 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -7.738 -11.952 7.760 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -8.612 -11.812 9.304 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -7.707 -10.420 8.664 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -3.215 -12.233 8.380 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -3.855 -12.605 9.998 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -4.416 -13.530 8.586 1.00 0.00 H new ATOM 988 N LYS B 4 -8.251 -10.298 12.119 1.00 0.00 N ATOM 989 CA LYS B 4 -9.595 -10.234 12.760 1.00 0.00 C ATOM 990 C LYS B 4 -10.648 -9.915 11.695 1.00 0.00 C ATOM 991 O LYS B 4 -11.749 -10.434 11.726 1.00 0.00 O ATOM 992 CB LYS B 4 -9.604 -9.135 13.826 1.00 0.00 C ATOM 993 CG LYS B 4 -10.720 -9.411 14.838 1.00 0.00 C ATOM 994 CD LYS B 4 -11.683 -8.220 14.883 1.00 0.00 C ATOM 995 CE LYS B 4 -13.131 -8.718 14.829 1.00 0.00 C ATOM 996 NZ LYS B 4 -13.405 -9.613 15.992 1.00 0.00 N ATOM 0 H LYS B 4 -7.717 -9.430 12.161 1.00 0.00 H new ATOM 0 HA LYS B 4 -9.821 -11.193 13.226 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -8.640 -9.098 14.333 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -9.755 -8.162 13.359 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -11.259 -10.317 14.561 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -10.293 -9.584 15.826 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -11.521 -7.644 15.794 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -11.488 -7.551 14.045 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -13.817 -7.871 14.842 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -13.305 -9.255 13.897 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -14.432 -9.688 16.138 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -13.012 -10.557 15.803 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -12.962 -9.218 16.846 1.00 0.00 H new ATOM 1010 N ARG B 5 -10.312 -9.063 10.752 1.00 0.00 N ATOM 1011 CA ARG B 5 -11.283 -8.698 9.676 1.00 0.00 C ATOM 1012 C ARG B 5 -10.549 -8.514 8.343 1.00 0.00 C ATOM 1013 O ARG B 5 -9.332 -8.534 8.282 1.00 0.00 O ATOM 1014 CB ARG B 5 -11.995 -7.397 10.049 1.00 0.00 C ATOM 1015 CG ARG B 5 -13.222 -7.712 10.905 1.00 0.00 C ATOM 1016 CD ARG B 5 -13.981 -6.419 11.211 1.00 0.00 C ATOM 1017 NE ARG B 5 -14.431 -6.432 12.632 1.00 0.00 N ATOM 1018 CZ ARG B 5 -14.058 -5.480 13.448 1.00 0.00 C ATOM 1019 NH1 ARG B 5 -12.785 -5.242 13.641 1.00 0.00 N ATOM 1020 NH2 ARG B 5 -14.961 -4.768 14.073 1.00 0.00 N ATOM 0 H ARG B 5 -9.403 -8.605 10.684 1.00 0.00 H new ATOM 0 HA ARG B 5 -12.014 -9.500 9.572 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -11.316 -6.743 10.596 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -12.295 -6.863 9.147 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -13.873 -8.412 10.382 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -12.916 -8.194 11.833 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -13.340 -5.557 11.029 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -14.840 -6.323 10.547 1.00 0.00 H new ATOM 0 HE ARG B 5 -15.031 -7.185 12.969 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -12.083 -5.799 13.155 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -12.496 -4.499 14.278 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -15.952 -4.956 13.923 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -14.673 -4.025 14.710 1.00 0.00 H new ATOM 1034 N ILE B 6 -11.291 -8.340 7.277 1.00 0.00 N ATOM 1035 CA ILE B 6 -10.665 -8.161 5.930 1.00 0.00 C ATOM 1036 C ILE B 6 -11.133 -6.838 5.316 1.00 0.00 C ATOM 1037 O ILE B 6 -12.314 -6.621 5.108 1.00 0.00 O ATOM 1038 CB ILE B 6 -11.066 -9.317 4.997 1.00 0.00 C ATOM 1039 CG1 ILE B 6 -11.307 -10.609 5.800 1.00 0.00 C ATOM 1040 CG2 ILE B 6 -9.954 -9.555 3.971 1.00 0.00 C ATOM 1041 CD1 ILE B 6 -10.022 -11.040 6.515 1.00 0.00 C ATOM 0 H ILE B 6 -12.311 -8.314 7.282 1.00 0.00 H new ATOM 0 HA ILE B 6 -9.581 -8.153 6.048 1.00 0.00 H new ATOM 0 HB ILE B 6 -11.991 -9.046 4.487 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -12.101 -10.449 6.530 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -11.643 -11.402 5.133 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -10.238 -10.374 3.310 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -9.802 -8.650 3.383 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -9.030 -9.811 4.489 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -10.208 -11.954 7.078 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -9.239 -11.221 5.779 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -9.704 -10.252 7.197 1.00 0.00 H new ATOM 1053 N LEU B 7 -10.208 -5.960 5.005 1.00 0.00 N ATOM 1054 CA LEU B 7 -10.570 -4.658 4.383 1.00 0.00 C ATOM 1055 C LEU B 7 -10.550 -4.832 2.863 1.00 0.00 C ATOM 1056 O LEU B 7 -11.478 -4.460 2.169 1.00 0.00 O ATOM 1057 CB LEU B 7 -9.557 -3.596 4.807 1.00 0.00 C ATOM 1058 CG LEU B 7 -9.642 -3.398 6.321 1.00 0.00 C ATOM 1059 CD1 LEU B 7 -8.283 -2.948 6.863 1.00 0.00 C ATOM 1060 CD2 LEU B 7 -10.692 -2.335 6.641 1.00 0.00 C ATOM 0 H LEU B 7 -9.209 -6.097 5.160 1.00 0.00 H new ATOM 0 HA LEU B 7 -11.562 -4.341 4.704 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -8.550 -3.903 4.524 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -9.760 -2.656 4.293 1.00 0.00 H new ATOM 0 HG LEU B 7 -9.923 -4.342 6.789 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -8.350 -2.809 7.942 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -7.533 -3.707 6.641 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -7.997 -2.007 6.393 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -10.751 -2.195 7.720 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -10.413 -1.394 6.168 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -11.662 -2.657 6.263 1.00 0.00 H new ATOM 1072 N ASN B 8 -9.499 -5.437 2.358 1.00 0.00 N ATOM 1073 CA ASN B 8 -9.382 -5.705 0.891 1.00 0.00 C ATOM 1074 C ASN B 8 -8.153 -6.605 0.637 1.00 0.00 C ATOM 1075 O ASN B 8 -7.660 -7.253 1.545 1.00 0.00 O ATOM 1076 CB ASN B 8 -9.303 -4.387 0.091 1.00 0.00 C ATOM 1077 CG ASN B 8 -7.995 -3.645 0.360 1.00 0.00 C ATOM 1078 OD1 ASN B 8 -6.958 -4.014 -0.145 1.00 0.00 O ATOM 1079 ND2 ASN B 8 -8.002 -2.586 1.113 1.00 0.00 N ATOM 0 H ASN B 8 -8.706 -5.761 2.912 1.00 0.00 H new ATOM 0 HA ASN B 8 -10.274 -6.227 0.545 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -9.388 -4.601 -0.974 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -10.146 -3.748 0.356 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -7.137 -2.070 1.276 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -8.872 -2.270 1.541 1.00 0.00 H new ATOM 1086 N HIS B 9 -7.674 -6.674 -0.582 1.00 0.00 N ATOM 1087 CA HIS B 9 -6.499 -7.558 -0.893 1.00 0.00 C ATOM 1088 C HIS B 9 -5.221 -7.060 -0.192 1.00 0.00 C ATOM 1089 O HIS B 9 -4.322 -7.834 0.084 1.00 0.00 O ATOM 1090 CB HIS B 9 -6.268 -7.577 -2.408 1.00 0.00 C ATOM 1091 CG HIS B 9 -5.267 -8.648 -2.752 1.00 0.00 C ATOM 1092 ND1 HIS B 9 -5.543 -9.997 -2.593 1.00 0.00 N ATOM 1093 CD2 HIS B 9 -3.986 -8.584 -3.243 1.00 0.00 C ATOM 1094 CE1 HIS B 9 -4.452 -10.683 -2.980 1.00 0.00 C ATOM 1095 NE2 HIS B 9 -3.474 -9.869 -3.386 1.00 0.00 N ATOM 0 H HIS B 9 -8.045 -6.156 -1.379 1.00 0.00 H new ATOM 0 HA HIS B 9 -6.721 -8.561 -0.529 1.00 0.00 H new ATOM 0 HB2 HIS B 9 -7.208 -7.763 -2.927 1.00 0.00 H new ATOM 0 HB3 HIS B 9 -5.906 -6.605 -2.743 1.00 0.00 H new ATOM 0 HD2 HIS B 9 -3.456 -7.674 -3.482 1.00 0.00 H new ATOM 0 HE1 HIS B 9 -4.376 -11.760 -2.964 1.00 0.00 H new ATOM 0 HE2 HIS B 9 -2.550 -10.133 -3.728 1.00 0.00 H new ATOM 1103 N ASN B 10 -5.123 -5.781 0.072 1.00 0.00 N ATOM 1104 CA ASN B 10 -3.900 -5.225 0.722 1.00 0.00 C ATOM 1105 C ASN B 10 -4.187 -4.775 2.157 1.00 0.00 C ATOM 1106 O ASN B 10 -3.279 -4.663 2.958 1.00 0.00 O ATOM 1107 CB ASN B 10 -3.410 -4.019 -0.079 1.00 0.00 C ATOM 1108 CG ASN B 10 -3.577 -4.275 -1.582 1.00 0.00 C ATOM 1109 OD1 ASN B 10 -2.981 -5.184 -2.128 1.00 0.00 O ATOM 1110 ND2 ASN B 10 -4.372 -3.509 -2.279 1.00 0.00 N ATOM 0 H ASN B 10 -5.846 -5.093 -0.138 1.00 0.00 H new ATOM 0 HA ASN B 10 -3.143 -6.009 0.747 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -3.970 -3.130 0.210 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -2.362 -3.823 0.149 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -4.492 -3.674 -3.278 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -4.873 -2.746 -1.824 1.00 0.00 H new ATOM 1117 N ALA B 11 -5.421 -4.491 2.488 1.00 0.00 N ATOM 1118 CA ALA B 11 -5.727 -4.024 3.866 1.00 0.00 C ATOM 1119 C ALA B 11 -6.493 -5.094 4.644 1.00 0.00 C ATOM 1120 O ALA B 11 -7.335 -5.791 4.109 1.00 0.00 O ATOM 1121 CB ALA B 11 -6.563 -2.747 3.795 1.00 0.00 C ATOM 0 H ALA B 11 -6.224 -4.563 1.864 1.00 0.00 H new ATOM 0 HA ALA B 11 -4.788 -3.825 4.383 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -6.788 -2.403 4.804 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -6.004 -1.975 3.265 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -7.493 -2.950 3.265 1.00 0.00 H new ATOM 1127 N ILE B 12 -6.203 -5.206 5.916 1.00 0.00 N ATOM 1128 CA ILE B 12 -6.897 -6.204 6.781 1.00 0.00 C ATOM 1129 C ILE B 12 -6.827 -5.732 8.239 1.00 0.00 C ATOM 1130 O ILE B 12 -5.844 -5.152 8.667 1.00 0.00 O ATOM 1131 CB ILE B 12 -6.223 -7.581 6.622 1.00 0.00 C ATOM 1132 CG1 ILE B 12 -6.991 -8.407 5.584 1.00 0.00 C ATOM 1133 CG2 ILE B 12 -6.209 -8.340 7.956 1.00 0.00 C ATOM 1134 CD1 ILE B 12 -6.116 -8.621 4.349 1.00 0.00 C ATOM 0 H ILE B 12 -5.504 -4.639 6.397 1.00 0.00 H new ATOM 0 HA ILE B 12 -7.942 -6.296 6.486 1.00 0.00 H new ATOM 0 HB ILE B 12 -5.195 -7.426 6.295 1.00 0.00 H new ATOM 0 HG12 ILE B 12 -7.278 -9.369 6.010 1.00 0.00 H new ATOM 0 HG13 ILE B 12 -7.912 -7.894 5.305 1.00 0.00 H new ATOM 0 HG21 ILE B 12 -5.728 -9.309 7.818 1.00 0.00 H new ATOM 0 HG22 ILE B 12 -5.656 -7.763 8.697 1.00 0.00 H new ATOM 0 HG23 ILE B 12 -7.232 -8.488 8.301 1.00 0.00 H new ATOM 0 HD11 ILE B 12 -6.664 -9.208 3.612 1.00 0.00 H new ATOM 0 HD12 ILE B 12 -5.851 -7.655 3.919 1.00 0.00 H new ATOM 0 HD13 ILE B 12 -5.208 -9.152 4.634 1.00 0.00 H new ATOM 1146 N VAL B 13 -7.861 -5.984 8.999 1.00 0.00 N ATOM 1147 CA VAL B 13 -7.868 -5.562 10.430 1.00 0.00 C ATOM 1148 C VAL B 13 -7.276 -6.688 11.277 1.00 0.00 C ATOM 1149 O VAL B 13 -7.819 -7.774 11.339 1.00 0.00 O ATOM 1150 CB VAL B 13 -9.305 -5.279 10.890 1.00 0.00 C ATOM 1151 CG1 VAL B 13 -9.276 -4.506 12.210 1.00 0.00 C ATOM 1152 CG2 VAL B 13 -10.040 -4.449 9.831 1.00 0.00 C ATOM 0 H VAL B 13 -8.704 -6.466 8.688 1.00 0.00 H new ATOM 0 HA VAL B 13 -7.276 -4.654 10.545 1.00 0.00 H new ATOM 0 HB VAL B 13 -9.827 -6.226 11.030 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -10.296 -4.305 12.536 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -8.763 -5.098 12.967 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -8.748 -3.563 12.068 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -11.059 -4.253 10.165 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -9.518 -3.504 9.683 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -10.066 -5.000 8.891 1.00 0.00 H new ATOM 1162 N VAL B 14 -6.164 -6.438 11.923 1.00 0.00 N ATOM 1163 CA VAL B 14 -5.529 -7.495 12.764 1.00 0.00 C ATOM 1164 C VAL B 14 -5.529 -7.064 14.237 1.00 0.00 C ATOM 1165 O VAL B 14 -5.856 -5.939 14.569 1.00 0.00 O ATOM 1166 CB VAL B 14 -4.087 -7.745 12.292 1.00 0.00 C ATOM 1167 CG1 VAL B 14 -4.098 -8.256 10.850 1.00 0.00 C ATOM 1168 CG2 VAL B 14 -3.277 -6.446 12.363 1.00 0.00 C ATOM 0 H VAL B 14 -5.669 -5.546 11.903 1.00 0.00 H new ATOM 0 HA VAL B 14 -6.101 -8.418 12.664 1.00 0.00 H new ATOM 0 HB VAL B 14 -3.628 -8.490 12.942 1.00 0.00 H new ATOM 0 HG11 VAL B 14 -3.075 -8.432 10.519 1.00 0.00 H new ATOM 0 HG12 VAL B 14 -4.662 -9.188 10.798 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -4.566 -7.513 10.204 1.00 0.00 H new ATOM 0 HG21 VAL B 14 -2.257 -6.634 12.027 1.00 0.00 H new ATOM 0 HG22 VAL B 14 -3.738 -5.694 11.722 1.00 0.00 H new ATOM 0 HG23 VAL B 14 -3.259 -6.084 13.391 1.00 0.00 H new ATOM 1178 N LYS B 15 -5.161 -7.961 15.118 1.00 0.00 N ATOM 1179 CA LYS B 15 -5.126 -7.638 16.578 1.00 0.00 C ATOM 1180 C LYS B 15 -3.684 -7.695 17.083 1.00 0.00 C ATOM 1181 O LYS B 15 -2.787 -8.163 16.402 1.00 0.00 O ATOM 1182 CB LYS B 15 -5.974 -8.653 17.352 1.00 0.00 C ATOM 1183 CG LYS B 15 -7.386 -8.715 16.759 1.00 0.00 C ATOM 1184 CD LYS B 15 -8.265 -9.626 17.622 1.00 0.00 C ATOM 1185 CE LYS B 15 -7.876 -11.091 17.395 1.00 0.00 C ATOM 1186 NZ LYS B 15 -8.537 -11.604 16.159 1.00 0.00 N ATOM 0 H LYS B 15 -4.880 -8.914 14.885 1.00 0.00 H new ATOM 0 HA LYS B 15 -5.527 -6.636 16.732 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -5.508 -9.638 17.308 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -6.024 -8.371 18.404 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -7.816 -7.715 16.713 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -7.346 -9.092 15.737 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -8.148 -9.368 18.675 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -9.315 -9.476 17.372 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -6.793 -11.179 17.303 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -8.173 -11.693 18.254 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -8.311 -12.612 16.037 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -9.567 -11.488 16.242 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -8.194 -11.070 15.335 1.00 0.00 H new ATOM 1200 N ASP B 16 -3.464 -7.218 18.280 1.00 0.00 N ATOM 1201 CA ASP B 16 -2.093 -7.226 18.863 1.00 0.00 C ATOM 1202 C ASP B 16 -2.186 -7.110 20.389 1.00 0.00 C ATOM 1203 O ASP B 16 -3.194 -6.685 20.927 1.00 0.00 O ATOM 1204 CB ASP B 16 -1.300 -6.037 18.307 1.00 0.00 C ATOM 1205 CG ASP B 16 0.202 -6.280 18.485 1.00 0.00 C ATOM 1206 OD1 ASP B 16 0.772 -6.982 17.665 1.00 0.00 O ATOM 1207 OD2 ASP B 16 0.759 -5.759 19.439 1.00 0.00 O ATOM 0 H ASP B 16 -4.184 -6.820 18.883 1.00 0.00 H new ATOM 0 HA ASP B 16 -1.589 -8.156 18.601 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -1.531 -5.897 17.251 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -1.592 -5.122 18.822 1.00 0.00 H new ATOM 1212 N GLN B 17 -1.134 -7.480 21.082 1.00 0.00 N ATOM 1213 CA GLN B 17 -1.127 -7.390 22.575 1.00 0.00 C ATOM 1214 C GLN B 17 -1.577 -5.998 23.005 1.00 0.00 C ATOM 1215 O GLN B 17 -2.345 -5.843 23.939 1.00 0.00 O ATOM 1216 CB GLN B 17 0.292 -7.637 23.090 1.00 0.00 C ATOM 1217 CG GLN B 17 0.359 -8.999 23.786 1.00 0.00 C ATOM 1218 CD GLN B 17 1.816 -9.341 24.105 1.00 0.00 C ATOM 1219 OE1 GLN B 17 2.450 -10.082 23.378 1.00 0.00 O ATOM 1220 NE2 GLN B 17 2.380 -8.831 25.167 1.00 0.00 N ATOM 0 H GLN B 17 -0.274 -7.843 20.672 1.00 0.00 H new ATOM 0 HA GLN B 17 -1.806 -8.137 22.985 1.00 0.00 H new ATOM 0 HB2 GLN B 17 1.000 -7.606 22.262 1.00 0.00 H new ATOM 0 HB3 GLN B 17 0.579 -6.848 23.785 1.00 0.00 H new ATOM 0 HG2 GLN B 17 -0.230 -8.979 24.703 1.00 0.00 H new ATOM 0 HG3 GLN B 17 -0.074 -9.768 23.146 1.00 0.00 H new ATOM 0 HE21 GLN B 17 1.850 -8.209 25.777 1.00 0.00 H new ATOM 0 HE22 GLN B 17 3.351 -9.054 25.386 1.00 0.00 H new ATOM 1229 N ASN B 18 -1.098 -4.990 22.326 1.00 0.00 N ATOM 1230 CA ASN B 18 -1.479 -3.594 22.674 1.00 0.00 C ATOM 1231 C ASN B 18 -2.958 -3.345 22.343 1.00 0.00 C ATOM 1232 O ASN B 18 -3.698 -2.846 23.171 1.00 0.00 O ATOM 1233 CB ASN B 18 -0.605 -2.612 21.891 1.00 0.00 C ATOM 1234 CG ASN B 18 0.767 -2.500 22.559 1.00 0.00 C ATOM 1235 OD1 ASN B 18 0.992 -1.622 23.367 1.00 0.00 O ATOM 1236 ND2 ASN B 18 1.702 -3.359 22.253 1.00 0.00 N ATOM 0 H ASN B 18 -0.454 -5.077 21.540 1.00 0.00 H new ATOM 0 HA ASN B 18 -1.328 -3.445 23.743 1.00 0.00 H new ATOM 0 HB2 ASN B 18 -0.493 -2.951 20.861 1.00 0.00 H new ATOM 0 HB3 ASN B 18 -1.084 -1.633 21.854 1.00 0.00 H new ATOM 0 HD21 ASN B 18 2.620 -3.292 22.693 1.00 0.00 H new ATOM 0 HD22 ASN B 18 1.514 -4.097 21.574 1.00 0.00 H new ATOM 1243 N GLU B 19 -3.395 -3.685 21.143 1.00 0.00 N ATOM 1244 CA GLU B 19 -4.824 -3.460 20.759 1.00 0.00 C ATOM 1245 C GLU B 19 -5.021 -3.828 19.281 1.00 0.00 C ATOM 1246 O GLU B 19 -4.117 -4.314 18.622 1.00 0.00 O ATOM 1247 CB GLU B 19 -5.195 -1.981 20.966 1.00 0.00 C ATOM 1248 CG GLU B 19 -4.143 -1.080 20.304 1.00 0.00 C ATOM 1249 CD GLU B 19 -4.780 0.256 19.907 1.00 0.00 C ATOM 1250 OE1 GLU B 19 -5.395 0.307 18.855 1.00 0.00 O ATOM 1251 OE2 GLU B 19 -4.638 1.206 20.659 1.00 0.00 O ATOM 0 H GLU B 19 -2.817 -4.109 20.417 1.00 0.00 H new ATOM 0 HA GLU B 19 -5.464 -4.084 21.383 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -6.178 -1.781 20.540 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -5.258 -1.759 22.031 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -3.314 -0.908 20.991 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -3.731 -1.573 19.423 1.00 0.00 H new ATOM 1258 N GLU B 20 -6.197 -3.586 18.759 1.00 0.00 N ATOM 1259 CA GLU B 20 -6.477 -3.900 17.327 1.00 0.00 C ATOM 1260 C GLU B 20 -5.686 -2.940 16.432 1.00 0.00 C ATOM 1261 O GLU B 20 -5.619 -1.751 16.688 1.00 0.00 O ATOM 1262 CB GLU B 20 -7.973 -3.742 17.048 1.00 0.00 C ATOM 1263 CG GLU B 20 -8.356 -4.572 15.819 1.00 0.00 C ATOM 1264 CD GLU B 20 -9.849 -4.398 15.524 1.00 0.00 C ATOM 1265 OE1 GLU B 20 -10.205 -3.384 14.945 1.00 0.00 O ATOM 1266 OE2 GLU B 20 -10.609 -5.285 15.877 1.00 0.00 O ATOM 0 H GLU B 20 -6.981 -3.181 19.270 1.00 0.00 H new ATOM 0 HA GLU B 20 -6.178 -4.927 17.116 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -8.551 -4.067 17.913 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -8.213 -2.692 16.880 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -7.766 -4.258 14.958 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -8.130 -5.624 15.994 1.00 0.00 H new ATOM 1273 N LYS B 21 -5.087 -3.455 15.385 1.00 0.00 N ATOM 1274 CA LYS B 21 -4.292 -2.593 14.459 1.00 0.00 C ATOM 1275 C LYS B 21 -4.671 -2.901 13.005 1.00 0.00 C ATOM 1276 O LYS B 21 -4.911 -4.037 12.642 1.00 0.00 O ATOM 1277 CB LYS B 21 -2.787 -2.841 14.652 1.00 0.00 C ATOM 1278 CG LYS B 21 -2.537 -4.241 15.231 1.00 0.00 C ATOM 1279 CD LYS B 21 -1.102 -4.676 14.922 1.00 0.00 C ATOM 1280 CE LYS B 21 -0.126 -3.911 15.821 1.00 0.00 C ATOM 1281 NZ LYS B 21 1.243 -4.482 15.673 1.00 0.00 N ATOM 0 H LYS B 21 -5.116 -4.443 15.132 1.00 0.00 H new ATOM 0 HA LYS B 21 -4.514 -1.550 14.684 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -2.271 -2.740 13.697 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -2.372 -2.086 15.320 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -2.702 -4.235 16.308 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -3.243 -4.953 14.805 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -0.994 -5.749 15.082 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -0.872 -4.485 13.874 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -0.121 -2.854 15.553 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -0.447 -3.975 16.861 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 1.575 -4.831 16.595 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 1.219 -5.268 14.993 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 1.891 -3.745 15.328 1.00 0.00 H new ATOM 1295 N ILE B 22 -4.712 -1.890 12.171 1.00 0.00 N ATOM 1296 CA ILE B 22 -5.055 -2.097 10.735 1.00 0.00 C ATOM 1297 C ILE B 22 -3.767 -2.356 9.949 1.00 0.00 C ATOM 1298 O ILE B 22 -2.832 -1.577 9.997 1.00 0.00 O ATOM 1299 CB ILE B 22 -5.756 -0.848 10.181 1.00 0.00 C ATOM 1300 CG1 ILE B 22 -7.167 -0.739 10.777 1.00 0.00 C ATOM 1301 CG2 ILE B 22 -5.845 -0.938 8.654 1.00 0.00 C ATOM 1302 CD1 ILE B 22 -8.039 -1.898 10.286 1.00 0.00 C ATOM 0 H ILE B 22 -4.520 -0.922 12.430 1.00 0.00 H new ATOM 0 HA ILE B 22 -5.726 -2.951 10.638 1.00 0.00 H new ATOM 0 HB ILE B 22 -5.181 0.037 10.455 1.00 0.00 H new ATOM 0 HG12 ILE B 22 -7.112 -0.751 11.866 1.00 0.00 H new ATOM 0 HG13 ILE B 22 -7.618 0.211 10.492 1.00 0.00 H new ATOM 0 HG21 ILE B 22 -6.343 -0.050 8.266 1.00 0.00 H new ATOM 0 HG22 ILE B 22 -4.841 -1.004 8.234 1.00 0.00 H new ATOM 0 HG23 ILE B 22 -6.414 -1.825 8.374 1.00 0.00 H new ATOM 0 HD11 ILE B 22 -9.037 -1.810 10.715 1.00 0.00 H new ATOM 0 HD12 ILE B 22 -8.108 -1.866 9.199 1.00 0.00 H new ATOM 0 HD13 ILE B 22 -7.594 -2.844 10.594 1.00 0.00 H new ATOM 1314 N LEU B 23 -3.713 -3.449 9.231 1.00 0.00 N ATOM 1315 CA LEU B 23 -2.490 -3.771 8.442 1.00 0.00 C ATOM 1316 C LEU B 23 -2.727 -3.462 6.962 1.00 0.00 C ATOM 1317 O LEU B 23 -3.596 -4.034 6.329 1.00 0.00 O ATOM 1318 CB LEU B 23 -2.147 -5.255 8.619 1.00 0.00 C ATOM 1319 CG LEU B 23 -0.795 -5.396 9.324 1.00 0.00 C ATOM 1320 CD1 LEU B 23 -0.803 -4.602 10.635 1.00 0.00 C ATOM 1321 CD2 LEU B 23 -0.539 -6.872 9.629 1.00 0.00 C ATOM 0 H LEU B 23 -4.466 -4.133 9.158 1.00 0.00 H new ATOM 0 HA LEU B 23 -1.659 -3.163 8.799 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -2.924 -5.750 9.201 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -2.114 -5.748 7.647 1.00 0.00 H new ATOM 0 HG LEU B 23 -0.009 -5.008 8.676 1.00 0.00 H new ATOM 0 HD11 LEU B 23 0.162 -4.708 11.130 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -0.988 -3.549 10.422 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -1.589 -4.984 11.287 1.00 0.00 H new ATOM 0 HD21 LEU B 23 0.423 -6.978 10.131 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -1.330 -7.252 10.275 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -0.527 -7.439 8.698 1.00 0.00 H new ATOM 1333 N LEU B 24 -1.950 -2.559 6.410 1.00 0.00 N ATOM 1334 CA LEU B 24 -2.109 -2.194 4.970 1.00 0.00 C ATOM 1335 C LEU B 24 -0.831 -2.568 4.212 1.00 0.00 C ATOM 1336 O LEU B 24 0.172 -1.881 4.289 1.00 0.00 O ATOM 1337 CB LEU B 24 -2.363 -0.684 4.834 1.00 0.00 C ATOM 1338 CG LEU B 24 -3.391 -0.221 5.872 1.00 0.00 C ATOM 1339 CD1 LEU B 24 -3.379 1.307 5.952 1.00 0.00 C ATOM 1340 CD2 LEU B 24 -4.786 -0.697 5.458 1.00 0.00 C ATOM 0 H LEU B 24 -1.209 -2.058 6.900 1.00 0.00 H new ATOM 0 HA LEU B 24 -2.958 -2.735 4.553 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -1.429 -0.138 4.968 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -2.723 -0.458 3.830 1.00 0.00 H new ATOM 0 HG LEU B 24 -3.138 -0.640 6.846 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -4.110 1.638 6.690 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -2.386 1.648 6.246 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -3.633 1.724 4.978 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -5.517 -0.368 6.196 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -5.039 -0.278 4.484 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -4.796 -1.785 5.398 1.00 0.00 H new ATOM 1352 N GLY B 25 -0.869 -3.653 3.480 1.00 0.00 N ATOM 1353 CA GLY B 25 0.327 -4.093 2.703 1.00 0.00 C ATOM 1354 C GLY B 25 -0.133 -4.676 1.367 1.00 0.00 C ATOM 1355 O GLY B 25 -0.947 -5.575 1.329 1.00 0.00 O ATOM 0 H GLY B 25 -1.686 -4.257 3.388 1.00 0.00 H new ATOM 0 HA2 GLY B 25 0.997 -3.250 2.535 1.00 0.00 H new ATOM 0 HA3 GLY B 25 0.888 -4.839 3.266 1.00 0.00 H new ATOM 1359 N ALA B 26 0.379 -4.158 0.275 1.00 0.00 N ATOM 1360 CA ALA B 26 -0.019 -4.658 -1.076 1.00 0.00 C ATOM 1361 C ALA B 26 0.165 -6.177 -1.153 1.00 0.00 C ATOM 1362 O ALA B 26 1.263 -6.682 -1.313 1.00 0.00 O ATOM 1363 CB ALA B 26 0.837 -3.985 -2.148 1.00 0.00 C ATOM 0 H ALA B 26 1.063 -3.402 0.265 1.00 0.00 H new ATOM 0 HA ALA B 26 -1.069 -4.418 -1.245 1.00 0.00 H new ATOM 0 HB1 ALA B 26 0.544 -4.352 -3.131 1.00 0.00 H new ATOM 0 HB2 ALA B 26 0.691 -2.906 -2.105 1.00 0.00 H new ATOM 0 HB3 ALA B 26 1.888 -4.216 -1.973 1.00 0.00 H new ATOM 1369 N GLY B 27 -0.919 -6.896 -1.042 1.00 0.00 N ATOM 1370 CA GLY B 27 -0.869 -8.385 -1.108 1.00 0.00 C ATOM 1371 C GLY B 27 -0.876 -8.996 0.302 1.00 0.00 C ATOM 1372 O GLY B 27 -0.538 -10.154 0.472 1.00 0.00 O ATOM 0 H GLY B 27 -1.852 -6.508 -0.906 1.00 0.00 H new ATOM 0 HA2 GLY B 27 -1.723 -8.757 -1.674 1.00 0.00 H new ATOM 0 HA3 GLY B 27 0.028 -8.700 -1.641 1.00 0.00 H new ATOM 1376 N ILE B 28 -1.260 -8.241 1.311 1.00 0.00 N ATOM 1377 CA ILE B 28 -1.294 -8.782 2.691 1.00 0.00 C ATOM 1378 C ILE B 28 -2.371 -9.873 2.779 1.00 0.00 C ATOM 1379 O ILE B 28 -2.165 -10.900 3.396 1.00 0.00 O ATOM 1380 CB ILE B 28 -1.591 -7.630 3.662 1.00 0.00 C ATOM 1381 CG1 ILE B 28 -0.966 -7.944 5.010 1.00 0.00 C ATOM 1382 CG2 ILE B 28 -3.101 -7.432 3.838 1.00 0.00 C ATOM 1383 CD1 ILE B 28 0.046 -6.857 5.369 1.00 0.00 C ATOM 0 H ILE B 28 -1.551 -7.267 1.225 1.00 0.00 H new ATOM 0 HA ILE B 28 -0.335 -9.227 2.956 1.00 0.00 H new ATOM 0 HB ILE B 28 -1.170 -6.712 3.252 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -1.739 -8.003 5.776 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -0.475 -8.916 4.977 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -3.282 -6.610 4.531 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -3.552 -7.200 2.873 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -3.544 -8.345 4.235 1.00 0.00 H new ATOM 0 HD11 ILE B 28 0.494 -7.083 6.337 1.00 0.00 H new ATOM 0 HD12 ILE B 28 0.825 -6.820 4.608 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -0.459 -5.892 5.419 1.00 0.00 H new ATOM 1395 N ALA B 29 -3.505 -9.661 2.139 1.00 0.00 N ATOM 1396 CA ALA B 29 -4.593 -10.688 2.151 1.00 0.00 C ATOM 1397 C ALA B 29 -4.071 -11.970 1.501 1.00 0.00 C ATOM 1398 O ALA B 29 -4.496 -13.061 1.834 1.00 0.00 O ATOM 1399 CB ALA B 29 -5.804 -10.171 1.369 1.00 0.00 C ATOM 0 H ALA B 29 -3.719 -8.816 1.609 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.895 -10.890 3.179 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -6.593 -10.923 1.381 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -6.170 -9.254 1.830 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -5.512 -9.968 0.339 1.00 0.00 H new ATOM 1405 N PHE B 30 -3.134 -11.845 0.588 1.00 0.00 N ATOM 1406 CA PHE B 30 -2.557 -13.048 -0.066 1.00 0.00 C ATOM 1407 C PHE B 30 -1.514 -13.656 0.877 1.00 0.00 C ATOM 1408 O PHE B 30 -0.704 -12.948 1.451 1.00 0.00 O ATOM 1409 CB PHE B 30 -1.890 -12.649 -1.387 1.00 0.00 C ATOM 1410 CG PHE B 30 -1.600 -13.887 -2.206 1.00 0.00 C ATOM 1411 CD1 PHE B 30 -2.586 -14.417 -3.046 1.00 0.00 C ATOM 1412 CD2 PHE B 30 -0.346 -14.503 -2.122 1.00 0.00 C ATOM 1413 CE1 PHE B 30 -2.318 -15.564 -3.803 1.00 0.00 C ATOM 1414 CE2 PHE B 30 -0.078 -15.650 -2.878 1.00 0.00 C ATOM 1415 CZ PHE B 30 -1.064 -16.180 -3.719 1.00 0.00 C ATOM 0 H PHE B 30 -2.748 -10.955 0.272 1.00 0.00 H new ATOM 0 HA PHE B 30 -3.342 -13.774 -0.275 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -2.541 -11.976 -1.945 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -0.965 -12.107 -1.189 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.553 -13.941 -3.110 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.415 -14.093 -1.474 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -3.079 -15.973 -4.451 1.00 0.00 H new ATOM 0 HE2 PHE B 30 0.889 -16.126 -2.813 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.857 -17.064 -4.303 1.00 0.00 H new ATOM 1425 N ASN B 31 -1.538 -14.959 1.040 1.00 0.00 N ATOM 1426 CA ASN B 31 -0.559 -15.655 1.943 1.00 0.00 C ATOM 1427 C ASN B 31 -0.993 -15.531 3.414 1.00 0.00 C ATOM 1428 O ASN B 31 -0.170 -15.546 4.314 1.00 0.00 O ATOM 1429 CB ASN B 31 0.841 -15.053 1.754 1.00 0.00 C ATOM 1430 CG ASN B 31 1.906 -16.061 2.195 1.00 0.00 C ATOM 1431 OD1 ASN B 31 2.526 -15.893 3.227 1.00 0.00 O ATOM 1432 ND2 ASN B 31 2.148 -17.107 1.453 1.00 0.00 N ATOM 0 H ASN B 31 -2.204 -15.580 0.580 1.00 0.00 H new ATOM 0 HA ASN B 31 -0.534 -16.713 1.681 1.00 0.00 H new ATOM 0 HB2 ASN B 31 0.993 -14.785 0.709 1.00 0.00 H new ATOM 0 HB3 ASN B 31 0.933 -14.136 2.335 1.00 0.00 H new ATOM 0 HD21 ASN B 31 2.857 -17.782 1.739 1.00 0.00 H new ATOM 0 HD22 ASN B 31 1.628 -17.249 0.587 1.00 0.00 H new ATOM 1439 N LYS B 32 -2.274 -15.430 3.665 1.00 0.00 N ATOM 1440 CA LYS B 32 -2.764 -15.321 5.079 1.00 0.00 C ATOM 1441 C LYS B 32 -4.164 -15.944 5.209 1.00 0.00 C ATOM 1442 O LYS B 32 -4.741 -16.417 4.245 1.00 0.00 O ATOM 1443 CB LYS B 32 -2.821 -13.839 5.495 1.00 0.00 C ATOM 1444 CG LYS B 32 -3.909 -13.117 4.695 1.00 0.00 C ATOM 1445 CD LYS B 32 -5.143 -12.898 5.573 1.00 0.00 C ATOM 1446 CE LYS B 32 -6.390 -13.382 4.829 1.00 0.00 C ATOM 1447 NZ LYS B 32 -7.608 -13.010 5.604 1.00 0.00 N ATOM 0 H LYS B 32 -3.005 -15.418 2.953 1.00 0.00 H new ATOM 0 HA LYS B 32 -2.075 -15.858 5.731 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -3.028 -13.759 6.562 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -1.855 -13.366 5.321 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -3.533 -12.159 4.336 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -4.177 -13.704 3.817 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -5.034 -13.439 6.513 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -5.242 -11.842 5.823 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -6.429 -12.937 3.835 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -6.349 -14.463 4.693 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -8.457 -13.247 5.052 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -7.621 -13.534 6.502 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -7.597 -11.989 5.799 1.00 0.00 H new ATOM 1461 N LYS B 33 -4.709 -15.934 6.404 1.00 0.00 N ATOM 1462 CA LYS B 33 -6.069 -16.507 6.637 1.00 0.00 C ATOM 1463 C LYS B 33 -6.712 -15.820 7.850 1.00 0.00 C ATOM 1464 O LYS B 33 -6.061 -15.088 8.575 1.00 0.00 O ATOM 1465 CB LYS B 33 -5.953 -18.013 6.901 1.00 0.00 C ATOM 1466 CG LYS B 33 -6.368 -18.790 5.649 1.00 0.00 C ATOM 1467 CD LYS B 33 -5.158 -19.541 5.085 1.00 0.00 C ATOM 1468 CE LYS B 33 -5.424 -19.923 3.626 1.00 0.00 C ATOM 1469 NZ LYS B 33 -6.207 -21.191 3.575 1.00 0.00 N ATOM 0 H LYS B 33 -4.262 -15.548 7.235 1.00 0.00 H new ATOM 0 HA LYS B 33 -6.689 -16.342 5.756 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -4.929 -18.266 7.175 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -6.587 -18.294 7.742 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -7.164 -19.494 5.893 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -6.766 -18.106 4.899 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -4.267 -18.917 5.151 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -4.965 -20.436 5.676 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -5.972 -19.125 3.125 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -4.481 -20.045 3.094 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -6.386 -21.449 2.584 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -5.668 -21.951 4.038 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -7.113 -21.059 4.068 1.00 0.00 H new ATOM 1483 N LYS B 34 -7.985 -16.052 8.075 1.00 0.00 N ATOM 1484 CA LYS B 34 -8.675 -15.416 9.239 1.00 0.00 C ATOM 1485 C LYS B 34 -8.078 -15.946 10.542 1.00 0.00 C ATOM 1486 O LYS B 34 -7.992 -17.142 10.763 1.00 0.00 O ATOM 1487 CB LYS B 34 -10.175 -15.725 9.194 1.00 0.00 C ATOM 1488 CG LYS B 34 -10.944 -14.595 9.883 1.00 0.00 C ATOM 1489 CD LYS B 34 -12.270 -15.131 10.425 1.00 0.00 C ATOM 1490 CE LYS B 34 -13.110 -13.973 10.974 1.00 0.00 C ATOM 1491 NZ LYS B 34 -12.453 -13.402 12.186 1.00 0.00 N ATOM 0 H LYS B 34 -8.574 -16.655 7.501 1.00 0.00 H new ATOM 0 HA LYS B 34 -8.534 -14.336 9.189 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -10.506 -15.829 8.161 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -10.378 -16.674 9.690 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -10.349 -14.180 10.696 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -11.129 -13.785 9.178 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -12.816 -15.646 9.634 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -12.083 -15.862 11.211 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -13.223 -13.201 10.213 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -14.111 -14.324 11.223 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -13.118 -13.425 12.985 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -11.610 -13.964 12.421 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -12.172 -12.418 11.998 1.00 0.00 H new ATOM 1505 N ASN B 35 -7.657 -15.042 11.393 1.00 0.00 N ATOM 1506 CA ASN B 35 -7.042 -15.420 12.701 1.00 0.00 C ATOM 1507 C ASN B 35 -5.638 -16.014 12.485 1.00 0.00 C ATOM 1508 O ASN B 35 -5.018 -16.498 13.416 1.00 0.00 O ATOM 1509 CB ASN B 35 -7.936 -16.431 13.431 1.00 0.00 C ATOM 1510 CG ASN B 35 -8.325 -15.872 14.804 1.00 0.00 C ATOM 1511 OD1 ASN B 35 -9.489 -15.654 15.075 1.00 0.00 O ATOM 1512 ND2 ASN B 35 -7.394 -15.628 15.687 1.00 0.00 N ATOM 0 H ASN B 35 -7.716 -14.037 11.231 1.00 0.00 H new ATOM 0 HA ASN B 35 -6.949 -14.523 13.313 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -8.831 -16.633 12.842 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -7.411 -17.379 13.548 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -7.645 -15.255 16.603 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -6.416 -15.811 15.461 1.00 0.00 H new ATOM 1519 N ASP B 36 -5.126 -15.966 11.273 1.00 0.00 N ATOM 1520 CA ASP B 36 -3.765 -16.506 11.000 1.00 0.00 C ATOM 1521 C ASP B 36 -2.740 -15.387 11.203 1.00 0.00 C ATOM 1522 O ASP B 36 -3.059 -14.216 11.106 1.00 0.00 O ATOM 1523 CB ASP B 36 -3.700 -17.013 9.554 1.00 0.00 C ATOM 1524 CG ASP B 36 -2.404 -17.803 9.332 1.00 0.00 C ATOM 1525 OD1 ASP B 36 -2.350 -18.949 9.749 1.00 0.00 O ATOM 1526 OD2 ASP B 36 -1.488 -17.247 8.745 1.00 0.00 O ATOM 0 H ASP B 36 -5.602 -15.572 10.461 1.00 0.00 H new ATOM 0 HA ASP B 36 -3.547 -17.331 11.678 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -4.562 -17.646 9.343 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -3.745 -16.172 8.863 1.00 0.00 H new ATOM 1531 N ILE B 37 -1.512 -15.738 11.487 1.00 0.00 N ATOM 1532 CA ILE B 37 -0.465 -14.696 11.701 1.00 0.00 C ATOM 1533 C ILE B 37 -0.068 -14.089 10.353 1.00 0.00 C ATOM 1534 O ILE B 37 0.129 -14.790 9.375 1.00 0.00 O ATOM 1535 CB ILE B 37 0.777 -15.296 12.373 1.00 0.00 C ATOM 1536 CG1 ILE B 37 0.371 -16.341 13.429 1.00 0.00 C ATOM 1537 CG2 ILE B 37 1.574 -14.177 13.048 1.00 0.00 C ATOM 1538 CD1 ILE B 37 -0.554 -15.706 14.473 1.00 0.00 C ATOM 0 H ILE B 37 -1.190 -16.701 11.580 1.00 0.00 H new ATOM 0 HA ILE B 37 -0.874 -13.925 12.354 1.00 0.00 H new ATOM 0 HB ILE B 37 1.386 -15.785 11.613 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -0.133 -17.179 12.947 1.00 0.00 H new ATOM 0 HG13 ILE B 37 1.260 -16.741 13.916 1.00 0.00 H new ATOM 0 HG21 ILE B 37 2.458 -14.598 13.527 1.00 0.00 H new ATOM 0 HG22 ILE B 37 1.880 -13.446 12.300 1.00 0.00 H new ATOM 0 HG23 ILE B 37 0.952 -13.689 13.798 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -0.834 -16.455 15.214 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -0.036 -14.883 14.966 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -1.451 -15.328 13.982 1.00 0.00 H new ATOM 1550 N VAL B 38 0.044 -12.788 10.306 1.00 0.00 N ATOM 1551 CA VAL B 38 0.424 -12.100 9.036 1.00 0.00 C ATOM 1552 C VAL B 38 1.946 -11.979 8.941 1.00 0.00 C ATOM 1553 O VAL B 38 2.615 -11.592 9.885 1.00 0.00 O ATOM 1554 CB VAL B 38 -0.202 -10.696 8.987 1.00 0.00 C ATOM 1555 CG1 VAL B 38 0.341 -9.833 10.129 1.00 0.00 C ATOM 1556 CG2 VAL B 38 0.150 -10.024 7.657 1.00 0.00 C ATOM 0 H VAL B 38 -0.113 -12.167 11.100 1.00 0.00 H new ATOM 0 HA VAL B 38 0.054 -12.689 8.197 1.00 0.00 H new ATOM 0 HB VAL B 38 -1.283 -10.794 9.086 1.00 0.00 H new ATOM 0 HG11 VAL B 38 -0.110 -8.842 10.082 1.00 0.00 H new ATOM 0 HG12 VAL B 38 0.097 -10.298 11.084 1.00 0.00 H new ATOM 0 HG13 VAL B 38 1.423 -9.744 10.035 1.00 0.00 H new ATOM 0 HG21 VAL B 38 -0.294 -9.029 7.623 1.00 0.00 H new ATOM 0 HG22 VAL B 38 1.233 -9.941 7.567 1.00 0.00 H new ATOM 0 HG23 VAL B 38 -0.238 -10.623 6.833 1.00 0.00 H new ATOM 1566 N ASP B 39 2.486 -12.284 7.792 1.00 0.00 N ATOM 1567 CA ASP B 39 3.956 -12.167 7.591 1.00 0.00 C ATOM 1568 C ASP B 39 4.310 -10.675 7.543 1.00 0.00 C ATOM 1569 O ASP B 39 3.588 -9.895 6.952 1.00 0.00 O ATOM 1570 CB ASP B 39 4.343 -12.842 6.269 1.00 0.00 C ATOM 1571 CG ASP B 39 5.835 -13.191 6.277 1.00 0.00 C ATOM 1572 OD1 ASP B 39 6.178 -14.230 6.818 1.00 0.00 O ATOM 1573 OD2 ASP B 39 6.608 -12.415 5.742 1.00 0.00 O ATOM 0 H ASP B 39 1.966 -12.612 6.978 1.00 0.00 H new ATOM 0 HA ASP B 39 4.497 -12.653 8.403 1.00 0.00 H new ATOM 0 HB2 ASP B 39 3.750 -13.745 6.125 1.00 0.00 H new ATOM 0 HB3 ASP B 39 4.121 -12.178 5.433 1.00 0.00 H new ATOM 1578 N PRO B 40 5.400 -10.314 8.175 1.00 0.00 N ATOM 1579 CA PRO B 40 5.851 -8.911 8.225 1.00 0.00 C ATOM 1580 C PRO B 40 6.404 -8.460 6.868 1.00 0.00 C ATOM 1581 O PRO B 40 6.359 -7.289 6.537 1.00 0.00 O ATOM 1582 CB PRO B 40 6.939 -8.918 9.300 1.00 0.00 C ATOM 1583 CG PRO B 40 7.435 -10.379 9.404 1.00 0.00 C ATOM 1584 CD PRO B 40 6.288 -11.262 8.880 1.00 0.00 C ATOM 0 HA PRO B 40 5.044 -8.214 8.453 1.00 0.00 H new ATOM 0 HB2 PRO B 40 7.756 -8.248 9.031 1.00 0.00 H new ATOM 0 HB3 PRO B 40 6.544 -8.572 10.255 1.00 0.00 H new ATOM 0 HG2 PRO B 40 8.340 -10.526 8.814 1.00 0.00 H new ATOM 0 HG3 PRO B 40 7.682 -10.633 10.435 1.00 0.00 H new ATOM 0 HD2 PRO B 40 6.656 -12.038 8.209 1.00 0.00 H new ATOM 0 HD3 PRO B 40 5.768 -11.766 9.695 1.00 0.00 H new ATOM 1592 N SER B 41 6.913 -9.380 6.076 1.00 0.00 N ATOM 1593 CA SER B 41 7.453 -9.008 4.730 1.00 0.00 C ATOM 1594 C SER B 41 6.350 -8.330 3.907 1.00 0.00 C ATOM 1595 O SER B 41 6.610 -7.413 3.150 1.00 0.00 O ATOM 1596 CB SER B 41 7.938 -10.266 4.003 1.00 0.00 C ATOM 1597 OG SER B 41 8.841 -9.895 2.969 1.00 0.00 O ATOM 0 H SER B 41 6.976 -10.372 6.307 1.00 0.00 H new ATOM 0 HA SER B 41 8.289 -8.320 4.853 1.00 0.00 H new ATOM 0 HB2 SER B 41 8.429 -10.939 4.706 1.00 0.00 H new ATOM 0 HB3 SER B 41 7.090 -10.807 3.583 1.00 0.00 H new ATOM 0 HG SER B 41 9.154 -10.699 2.504 1.00 0.00 H new ATOM 1603 N LYS B 42 5.119 -8.769 4.062 1.00 0.00 N ATOM 1604 CA LYS B 42 3.989 -8.147 3.304 1.00 0.00 C ATOM 1605 C LYS B 42 3.415 -6.958 4.096 1.00 0.00 C ATOM 1606 O LYS B 42 2.807 -6.073 3.524 1.00 0.00 O ATOM 1607 CB LYS B 42 2.889 -9.186 3.040 1.00 0.00 C ATOM 1608 CG LYS B 42 2.387 -9.781 4.358 1.00 0.00 C ATOM 1609 CD LYS B 42 1.183 -10.685 4.082 1.00 0.00 C ATOM 1610 CE LYS B 42 1.578 -12.146 4.289 1.00 0.00 C ATOM 1611 NZ LYS B 42 0.407 -12.907 4.807 1.00 0.00 N ATOM 0 H LYS B 42 4.852 -9.533 4.683 1.00 0.00 H new ATOM 0 HA LYS B 42 4.365 -7.786 2.347 1.00 0.00 H new ATOM 0 HB2 LYS B 42 2.061 -8.720 2.506 1.00 0.00 H new ATOM 0 HB3 LYS B 42 3.276 -9.979 2.400 1.00 0.00 H new ATOM 0 HG2 LYS B 42 3.182 -10.352 4.838 1.00 0.00 H new ATOM 0 HG3 LYS B 42 2.107 -8.984 5.046 1.00 0.00 H new ATOM 0 HD2 LYS B 42 0.360 -10.423 4.746 1.00 0.00 H new ATOM 0 HD3 LYS B 42 0.830 -10.535 3.062 1.00 0.00 H new ATOM 0 HE2 LYS B 42 1.919 -12.579 3.349 1.00 0.00 H new ATOM 0 HE3 LYS B 42 2.409 -12.213 4.991 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 0.592 -13.927 4.725 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 0.248 -12.663 5.805 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -0.438 -12.663 4.252 1.00 0.00 H new ATOM 1625 N ILE B 43 3.614 -6.925 5.401 1.00 0.00 N ATOM 1626 CA ILE B 43 3.091 -5.786 6.222 1.00 0.00 C ATOM 1627 C ILE B 43 3.803 -4.498 5.802 1.00 0.00 C ATOM 1628 O ILE B 43 4.981 -4.311 6.057 1.00 0.00 O ATOM 1629 CB ILE B 43 3.344 -6.052 7.711 1.00 0.00 C ATOM 1630 CG1 ILE B 43 2.502 -7.247 8.166 1.00 0.00 C ATOM 1631 CG2 ILE B 43 2.949 -4.816 8.527 1.00 0.00 C ATOM 1632 CD1 ILE B 43 3.022 -7.759 9.511 1.00 0.00 C ATOM 0 H ILE B 43 4.116 -7.640 5.927 1.00 0.00 H new ATOM 0 HA ILE B 43 2.018 -5.685 6.059 1.00 0.00 H new ATOM 0 HB ILE B 43 4.401 -6.269 7.865 1.00 0.00 H new ATOM 0 HG12 ILE B 43 1.456 -6.954 8.257 1.00 0.00 H new ATOM 0 HG13 ILE B 43 2.547 -8.041 7.421 1.00 0.00 H new ATOM 0 HG21 ILE B 43 3.129 -5.006 9.585 1.00 0.00 H new ATOM 0 HG22 ILE B 43 3.545 -3.962 8.205 1.00 0.00 H new ATOM 0 HG23 ILE B 43 1.892 -4.600 8.372 1.00 0.00 H new ATOM 0 HD11 ILE B 43 2.421 -8.610 9.833 1.00 0.00 H new ATOM 0 HD12 ILE B 43 4.062 -8.068 9.405 1.00 0.00 H new ATOM 0 HD13 ILE B 43 2.954 -6.964 10.254 1.00 0.00 H new ATOM 1644 N GLU B 44 3.088 -3.613 5.158 1.00 0.00 N ATOM 1645 CA GLU B 44 3.690 -2.326 4.707 1.00 0.00 C ATOM 1646 C GLU B 44 3.298 -1.207 5.676 1.00 0.00 C ATOM 1647 O GLU B 44 4.021 -0.241 5.840 1.00 0.00 O ATOM 1648 CB GLU B 44 3.172 -1.987 3.308 1.00 0.00 C ATOM 1649 CG GLU B 44 3.806 -2.932 2.284 1.00 0.00 C ATOM 1650 CD GLU B 44 3.846 -2.254 0.911 1.00 0.00 C ATOM 1651 OE1 GLU B 44 4.830 -1.590 0.627 1.00 0.00 O ATOM 1652 OE2 GLU B 44 2.892 -2.412 0.165 1.00 0.00 O ATOM 0 H GLU B 44 2.102 -3.730 4.923 1.00 0.00 H new ATOM 0 HA GLU B 44 4.775 -2.423 4.684 1.00 0.00 H new ATOM 0 HB2 GLU B 44 2.086 -2.078 3.279 1.00 0.00 H new ATOM 0 HB3 GLU B 44 3.412 -0.953 3.061 1.00 0.00 H new ATOM 0 HG2 GLU B 44 4.815 -3.200 2.598 1.00 0.00 H new ATOM 0 HG3 GLU B 44 3.234 -3.858 2.226 1.00 0.00 H new ATOM 1659 N LYS B 45 2.154 -1.328 6.310 1.00 0.00 N ATOM 1660 CA LYS B 45 1.703 -0.270 7.266 1.00 0.00 C ATOM 1661 C LYS B 45 1.002 -0.902 8.474 1.00 0.00 C ATOM 1662 O LYS B 45 0.353 -1.929 8.364 1.00 0.00 O ATOM 1663 CB LYS B 45 0.732 0.679 6.554 1.00 0.00 C ATOM 1664 CG LYS B 45 1.460 1.969 6.176 1.00 0.00 C ATOM 1665 CD LYS B 45 0.640 2.733 5.136 1.00 0.00 C ATOM 1666 CE LYS B 45 1.316 4.073 4.833 1.00 0.00 C ATOM 1667 NZ LYS B 45 0.386 4.937 4.052 1.00 0.00 N ATOM 0 H LYS B 45 1.514 -2.115 6.205 1.00 0.00 H new ATOM 0 HA LYS B 45 2.575 0.283 7.615 1.00 0.00 H new ATOM 0 HB2 LYS B 45 0.330 0.201 5.661 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -0.114 0.904 7.203 1.00 0.00 H new ATOM 0 HG2 LYS B 45 1.610 2.587 7.061 1.00 0.00 H new ATOM 0 HG3 LYS B 45 2.448 1.738 5.777 1.00 0.00 H new ATOM 0 HD2 LYS B 45 0.552 2.144 4.223 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -0.371 2.900 5.506 1.00 0.00 H new ATOM 0 HE2 LYS B 45 1.595 4.569 5.762 1.00 0.00 H new ATOM 0 HE3 LYS B 45 2.235 3.909 4.270 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 0.922 5.708 3.604 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -0.082 4.368 3.318 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -0.332 5.339 4.689 1.00 0.00 H new ATOM 1681 N THR B 46 1.124 -0.281 9.625 1.00 0.00 N ATOM 1682 CA THR B 46 0.470 -0.811 10.856 1.00 0.00 C ATOM 1683 C THR B 46 -0.254 0.340 11.569 1.00 0.00 C ATOM 1684 O THR B 46 0.346 1.114 12.294 1.00 0.00 O ATOM 1685 CB THR B 46 1.529 -1.426 11.783 1.00 0.00 C ATOM 1686 OG1 THR B 46 2.221 -2.460 11.093 1.00 0.00 O ATOM 1687 CG2 THR B 46 0.851 -2.011 13.025 1.00 0.00 C ATOM 0 H THR B 46 1.655 0.579 9.761 1.00 0.00 H new ATOM 0 HA THR B 46 -0.251 -1.584 10.590 1.00 0.00 H new ATOM 0 HB THR B 46 2.234 -0.652 12.086 1.00 0.00 H new ATOM 0 HG1 THR B 46 2.898 -2.851 11.684 1.00 0.00 H new ATOM 0 HG21 THR B 46 1.605 -2.446 13.680 1.00 0.00 H new ATOM 0 HG22 THR B 46 0.321 -1.221 13.557 1.00 0.00 H new ATOM 0 HG23 THR B 46 0.143 -2.783 12.723 1.00 0.00 H new ATOM 1695 N PHE B 47 -1.543 0.455 11.354 1.00 0.00 N ATOM 1696 CA PHE B 47 -2.336 1.545 11.994 1.00 0.00 C ATOM 1697 C PHE B 47 -2.969 1.030 13.289 1.00 0.00 C ATOM 1698 O PHE B 47 -3.205 -0.149 13.448 1.00 0.00 O ATOM 1699 CB PHE B 47 -3.444 1.991 11.038 1.00 0.00 C ATOM 1700 CG PHE B 47 -2.904 2.979 10.031 1.00 0.00 C ATOM 1701 CD1 PHE B 47 -1.914 2.591 9.118 1.00 0.00 C ATOM 1702 CD2 PHE B 47 -3.402 4.286 10.007 1.00 0.00 C ATOM 1703 CE1 PHE B 47 -1.424 3.512 8.186 1.00 0.00 C ATOM 1704 CE2 PHE B 47 -2.912 5.205 9.074 1.00 0.00 C ATOM 1705 CZ PHE B 47 -1.925 4.820 8.164 1.00 0.00 C ATOM 0 H PHE B 47 -2.083 -0.169 10.755 1.00 0.00 H new ATOM 0 HA PHE B 47 -1.679 2.385 12.219 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -3.858 1.125 10.521 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -4.259 2.445 11.602 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -1.530 1.582 9.134 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -4.166 4.585 10.710 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -0.660 3.215 7.483 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -3.297 6.214 9.057 1.00 0.00 H new ATOM 0 HZ PHE B 47 -1.548 5.531 7.443 1.00 0.00 H new ATOM 1715 N ILE B 48 -3.237 1.913 14.216 1.00 0.00 N ATOM 1716 CA ILE B 48 -3.853 1.495 15.512 1.00 0.00 C ATOM 1717 C ILE B 48 -4.834 2.578 15.985 1.00 0.00 C ATOM 1718 O ILE B 48 -4.520 3.756 15.982 1.00 0.00 O ATOM 1719 CB ILE B 48 -2.762 1.283 16.576 1.00 0.00 C ATOM 1720 CG1 ILE B 48 -1.371 1.479 15.950 1.00 0.00 C ATOM 1721 CG2 ILE B 48 -2.873 -0.135 17.139 1.00 0.00 C ATOM 1722 CD1 ILE B 48 -0.294 0.998 16.916 1.00 0.00 C ATOM 0 H ILE B 48 -3.054 2.913 14.131 1.00 0.00 H new ATOM 0 HA ILE B 48 -4.388 0.557 15.365 1.00 0.00 H new ATOM 0 HB ILE B 48 -2.897 2.009 17.378 1.00 0.00 H new ATOM 0 HG12 ILE B 48 -1.304 0.927 15.013 1.00 0.00 H new ATOM 0 HG13 ILE B 48 -1.215 2.531 15.712 1.00 0.00 H new ATOM 0 HG21 ILE B 48 -2.101 -0.288 17.893 1.00 0.00 H new ATOM 0 HG22 ILE B 48 -3.855 -0.271 17.592 1.00 0.00 H new ATOM 0 HG23 ILE B 48 -2.742 -0.858 16.334 1.00 0.00 H new ATOM 0 HD11 ILE B 48 0.688 1.140 16.466 1.00 0.00 H new ATOM 0 HD12 ILE B 48 -0.355 1.569 17.842 1.00 0.00 H new ATOM 0 HD13 ILE B 48 -0.445 -0.060 17.132 1.00 0.00 H new ATOM 1734 N ARG B 49 -6.021 2.181 16.383 1.00 0.00 N ATOM 1735 CA ARG B 49 -7.043 3.173 16.850 1.00 0.00 C ATOM 1736 C ARG B 49 -6.596 3.804 18.175 1.00 0.00 C ATOM 1737 O ARG B 49 -6.490 3.139 19.190 1.00 0.00 O ATOM 1738 CB ARG B 49 -8.407 2.484 17.038 1.00 0.00 C ATOM 1739 CG ARG B 49 -8.236 1.156 17.788 1.00 0.00 C ATOM 1740 CD ARG B 49 -9.520 0.822 18.550 1.00 0.00 C ATOM 1741 NE ARG B 49 -9.592 1.647 19.790 1.00 0.00 N ATOM 1742 CZ ARG B 49 -9.120 1.186 20.918 1.00 0.00 C ATOM 1743 NH1 ARG B 49 -7.835 1.236 21.160 1.00 0.00 N ATOM 1744 NH2 ARG B 49 -9.934 0.681 21.808 1.00 0.00 N ATOM 0 H ARG B 49 -6.327 1.208 16.404 1.00 0.00 H new ATOM 0 HA ARG B 49 -7.141 3.954 16.096 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -9.079 3.139 17.593 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -8.868 2.304 16.067 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -8.002 0.358 17.084 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -7.398 1.225 18.482 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -10.389 1.015 17.921 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -9.539 -0.238 18.804 1.00 0.00 H new ATOM 0 HE ARG B 49 -10.012 2.576 19.758 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -7.201 1.635 20.468 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -7.468 0.876 22.041 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -10.936 0.647 21.621 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -9.567 0.321 22.689 1.00 0.00 H new