USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1099 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 ASN : amide:sc= 0.629 K(o=0.73,f=-1.5) USER MOD Set 1.2: A 24 ASN :FLIP amide:sc= 0 X(o=0.33,f=0.73) USER MOD Set 1.3: A 30 THR OG1 : rot 69:sc= 0.104 USER MOD Set 1.4: A 32 GLN :FLIP amide:sc= 0 F(o=-2.4!,f=0.73) USER MOD Single : A 1 MET CE :methyl 151:sc= -0.0738 (180deg=-1.48!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 148:sc= -0.275 (180deg=-2.48!) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ -151:sc= 1.28 (180deg=1.2) USER MOD Single : A 12 GLN : amide:sc= 0.0339 X(o=0.034,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 147:sc= 2.4 (180deg=2.07) USER MOD Single : A 28 TYR OH : rot 98:sc= 1.17 USER MOD Single : A 29 GLN :FLIP amide:sc= -1.49 F(o=-3.6!,f=-1.5) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.137 F(o=-4.7!,f=-0.14) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -134:sc= -0.0444 (180deg=-1.91!) USER MOD Single : A 55 MET CE :methyl 162:sc= -1.91 (180deg=-2.79!) USER MOD Single : A 56 LYS NZ :NH3+ -117:sc= -3.31! (180deg=-5.59!) USER MOD Single : A 60 MET CE :methyl -128:sc= -0.0479 (180deg=-2.68!) USER MOD Single : A 67 LYS NZ :NH3+ -177:sc= 0.193 (180deg=0.121) USER MOD Single : A 69 MET CE :methyl -170:sc= -13.1! (180deg=-13.9!) USER MOD Single : A 70 LYS NZ :NH3+ 160:sc= 0.308! (180deg=-0.346!) USER MOD Single : A 75 ASN : amide:sc= -0.155 X(o=-0.15,f=-0.027) USER MOD Single : A 81 MET CE :methyl -156:sc= -1.16 (180deg=-2.11!) USER MOD Single : A 82 THR OG1 : rot 49:sc= 1.44 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.0646 K(o=-0.065,f=-1) USER MOD Single : A 93 SER OG : rot 149:sc= -0.444 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 173:sc= -3.26! USER MOD Single : A 104 LYS NZ :NH3+ -129:sc= -1.72! (180deg=-4.27!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 170:sc= -0.0237 (180deg=-0.184) USER MOD Single : A 123 SER OG : rot 10:sc= 0.0122 USER MOD Single : A 124 ASN : amide:sc= 0.533 K(o=0.53,f=-5.9!) USER MOD Single : A 127 HIS : no HD1:sc= -0.479 X(o=-0.48,f=-0.024) USER MOD Single : A 128 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.15) USER MOD Single : A 129 HIS : no HD1:sc= 0.766 K(o=0.77,f=-2.3!) USER MOD Single : A 130 HIS : no HD1:sc= -0.0345 X(o=-0.035,f=0) USER MOD Single : A 131 HIS : no HD1:sc= -0.0404 X(o=-0.04,f=0) USER MOD Single : A 132 HIS : no HE2:sc= -0.513 K(o=-0.51,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.449 9.745 -10.344 1.00 4.15 N ATOM 2 CA MET A 1 12.058 9.809 -8.994 1.00 3.53 C ATOM 3 C MET A 1 10.969 9.961 -7.941 1.00 2.88 C ATOM 4 O MET A 1 10.848 9.133 -7.039 1.00 3.29 O ATOM 5 CB MET A 1 13.041 10.982 -8.908 1.00 3.87 C ATOM 6 CG MET A 1 13.843 11.010 -7.616 1.00 4.48 C ATOM 7 SD MET A 1 14.906 9.562 -7.437 1.00 5.46 S ATOM 8 CE MET A 1 15.687 9.911 -5.865 1.00 6.07 C ATOM 0 H1 MET A 1 12.198 9.641 -11.058 1.00 4.15 H new ATOM 0 H2 MET A 1 10.805 8.930 -10.396 1.00 4.15 H new ATOM 0 H3 MET A 1 10.916 10.619 -10.526 1.00 4.15 H new ATOM 0 HA MET A 1 12.604 8.884 -8.811 1.00 3.53 H new ATOM 0 HB2 MET A 1 13.729 10.931 -9.752 1.00 3.87 H new ATOM 0 HB3 MET A 1 12.488 11.916 -9.003 1.00 3.87 H new ATOM 0 HG2 MET A 1 14.454 11.912 -7.590 1.00 4.48 H new ATOM 0 HG3 MET A 1 13.160 11.063 -6.768 1.00 4.48 H new ATOM 0 HE1 MET A 1 15.942 8.974 -5.370 1.00 6.07 H new ATOM 0 HE2 MET A 1 16.594 10.493 -6.030 1.00 6.07 H new ATOM 0 HE3 MET A 1 15.001 10.479 -5.236 1.00 6.07 H new ATOM 20 N MET A 2 10.176 11.026 -8.075 1.00 2.34 N ATOM 21 CA MET A 2 9.050 11.296 -7.181 1.00 1.89 C ATOM 22 C MET A 2 9.501 11.481 -5.742 1.00 1.54 C ATOM 23 O MET A 2 10.685 11.681 -5.460 1.00 2.12 O ATOM 24 CB MET A 2 8.006 10.178 -7.247 1.00 1.97 C ATOM 25 CG MET A 2 7.331 10.066 -8.599 1.00 2.44 C ATOM 26 SD MET A 2 5.783 9.153 -8.523 1.00 3.03 S ATOM 27 CE MET A 2 4.792 10.281 -7.545 1.00 3.88 C ATOM 0 H MET A 2 10.297 11.726 -8.807 1.00 2.34 H new ATOM 0 HA MET A 2 8.599 12.227 -7.525 1.00 1.89 H new ATOM 0 HB2 MET A 2 8.485 9.229 -7.008 1.00 1.97 H new ATOM 0 HB3 MET A 2 7.248 10.353 -6.484 1.00 1.97 H new ATOM 0 HG2 MET A 2 7.141 11.065 -8.990 1.00 2.44 H new ATOM 0 HG3 MET A 2 8.006 9.573 -9.299 1.00 2.44 H new ATOM 0 HE1 MET A 2 3.748 10.207 -7.851 1.00 3.88 H new ATOM 0 HE2 MET A 2 4.880 10.022 -6.490 1.00 3.88 H new ATOM 0 HE3 MET A 2 5.144 11.301 -7.698 1.00 3.88 H new ATOM 37 N ASN A 3 8.536 11.451 -4.842 1.00 0.88 N ATOM 38 CA ASN A 3 8.804 11.558 -3.426 1.00 0.71 C ATOM 39 C ASN A 3 8.618 10.207 -2.747 1.00 0.66 C ATOM 40 O ASN A 3 9.108 10.004 -1.638 1.00 1.42 O ATOM 41 CB ASN A 3 7.874 12.594 -2.796 1.00 0.84 C ATOM 42 CG ASN A 3 8.100 13.990 -3.340 1.00 1.38 C ATOM 43 OD1 ASN A 3 7.532 14.369 -4.365 1.00 2.35 O ATOM 44 ND2 ASN A 3 8.914 14.769 -2.651 1.00 1.61 N ATOM 0 H ASN A 3 7.548 11.352 -5.074 1.00 0.88 H new ATOM 0 HA ASN A 3 9.837 11.877 -3.289 1.00 0.71 H new ATOM 0 HB2 ASN A 3 6.839 12.303 -2.973 1.00 0.84 H new ATOM 0 HB3 ASN A 3 8.023 12.601 -1.716 1.00 0.84 H new ATOM 0 HD21 ASN A 3 9.092 15.724 -2.963 1.00 1.61 H new ATOM 0 HD22 ASN A 3 9.365 14.416 -1.807 1.00 1.61 H new ATOM 51 N GLU A 4 7.894 9.299 -3.420 1.00 0.57 N ATOM 52 CA GLU A 4 7.646 7.947 -2.906 1.00 0.38 C ATOM 53 C GLU A 4 6.732 7.989 -1.665 1.00 0.32 C ATOM 54 O GLU A 4 7.143 8.388 -0.574 1.00 0.50 O ATOM 55 CB GLU A 4 8.994 7.245 -2.645 1.00 0.52 C ATOM 56 CG GLU A 4 8.936 5.999 -1.785 1.00 0.64 C ATOM 57 CD GLU A 4 10.142 5.087 -1.962 1.00 1.56 C ATOM 58 OE1 GLU A 4 10.248 4.433 -3.022 1.00 1.85 O ATOM 59 OE2 GLU A 4 10.978 5.007 -1.038 1.00 2.30 O ATOM 0 H GLU A 4 7.468 9.481 -4.329 1.00 0.57 H new ATOM 0 HA GLU A 4 7.109 7.359 -3.650 1.00 0.38 H new ATOM 0 HB2 GLU A 4 9.435 6.980 -3.606 1.00 0.52 H new ATOM 0 HB3 GLU A 4 9.668 7.959 -2.171 1.00 0.52 H new ATOM 0 HG2 GLU A 4 8.862 6.292 -0.738 1.00 0.64 H new ATOM 0 HG3 GLU A 4 8.030 5.442 -2.025 1.00 0.64 H new ATOM 66 N LYS A 5 5.471 7.593 -1.853 1.00 0.21 N ATOM 67 CA LYS A 5 4.445 7.739 -0.816 1.00 0.14 C ATOM 68 C LYS A 5 3.530 6.529 -0.775 1.00 0.11 C ATOM 69 O LYS A 5 3.224 5.930 -1.810 1.00 0.12 O ATOM 70 CB LYS A 5 3.603 8.978 -1.101 1.00 0.16 C ATOM 71 CG LYS A 5 2.891 9.517 0.125 1.00 0.16 C ATOM 72 CD LYS A 5 3.363 10.924 0.458 1.00 0.30 C ATOM 73 CE LYS A 5 3.093 11.901 -0.678 1.00 0.54 C ATOM 74 NZ LYS A 5 3.421 13.302 -0.299 1.00 0.80 N ATOM 0 H LYS A 5 5.134 7.167 -2.717 1.00 0.21 H new ATOM 0 HA LYS A 5 4.950 7.833 0.146 1.00 0.14 H new ATOM 0 HB2 LYS A 5 4.245 9.758 -1.512 1.00 0.16 H new ATOM 0 HB3 LYS A 5 2.864 8.738 -1.865 1.00 0.16 H new ATOM 0 HG2 LYS A 5 1.815 9.523 -0.049 1.00 0.16 H new ATOM 0 HG3 LYS A 5 3.073 8.858 0.974 1.00 0.16 H new ATOM 0 HD2 LYS A 5 2.861 11.271 1.361 1.00 0.30 H new ATOM 0 HD3 LYS A 5 4.431 10.906 0.674 1.00 0.30 H new ATOM 0 HE2 LYS A 5 3.681 11.614 -1.550 1.00 0.54 H new ATOM 0 HE3 LYS A 5 2.044 11.840 -0.967 1.00 0.54 H new ATOM 0 HZ1 LYS A 5 2.813 13.957 -0.831 1.00 0.80 H new ATOM 0 HZ2 LYS A 5 3.262 13.432 0.720 1.00 0.80 H new ATOM 0 HZ3 LYS A 5 4.418 13.497 -0.521 1.00 0.80 H new ATOM 88 N ILE A 6 3.059 6.212 0.422 1.00 0.10 N ATOM 89 CA ILE A 6 2.238 5.041 0.637 1.00 0.09 C ATOM 90 C ILE A 6 1.123 5.312 1.632 1.00 0.08 C ATOM 91 O ILE A 6 1.213 6.200 2.471 1.00 0.08 O ATOM 92 CB ILE A 6 3.102 3.846 1.097 1.00 0.10 C ATOM 93 CG1 ILE A 6 3.545 3.035 -0.109 1.00 0.14 C ATOM 94 CG2 ILE A 6 2.380 2.961 2.110 1.00 0.10 C ATOM 95 CD1 ILE A 6 4.616 2.041 0.231 1.00 0.20 C ATOM 0 H ILE A 6 3.237 6.759 1.264 1.00 0.10 H new ATOM 0 HA ILE A 6 1.773 4.787 -0.315 1.00 0.09 H new ATOM 0 HB ILE A 6 3.979 4.248 1.604 1.00 0.10 H new ATOM 0 HG12 ILE A 6 2.685 2.510 -0.526 1.00 0.14 H new ATOM 0 HG13 ILE A 6 3.912 3.710 -0.882 1.00 0.14 H new ATOM 0 HG21 ILE A 6 3.030 2.136 2.401 1.00 0.10 H new ATOM 0 HG22 ILE A 6 2.125 3.550 2.991 1.00 0.10 H new ATOM 0 HG23 ILE A 6 1.469 2.564 1.662 1.00 0.10 H new ATOM 0 HD11 ILE A 6 4.897 1.488 -0.665 1.00 0.20 H new ATOM 0 HD12 ILE A 6 5.488 2.565 0.622 1.00 0.20 H new ATOM 0 HD13 ILE A 6 4.242 1.347 0.984 1.00 0.20 H new ATOM 107 N LEU A 7 0.067 4.550 1.493 1.00 0.09 N ATOM 108 CA LEU A 7 -1.076 4.611 2.369 1.00 0.08 C ATOM 109 C LEU A 7 -1.416 3.193 2.778 1.00 0.09 C ATOM 110 O LEU A 7 -1.622 2.347 1.921 1.00 0.17 O ATOM 111 CB LEU A 7 -2.229 5.205 1.586 1.00 0.10 C ATOM 112 CG LEU A 7 -3.255 5.960 2.391 1.00 0.10 C ATOM 113 CD1 LEU A 7 -4.212 6.653 1.450 1.00 0.12 C ATOM 114 CD2 LEU A 7 -4.010 5.038 3.333 1.00 0.12 C ATOM 0 H LEU A 7 -0.024 3.855 0.752 1.00 0.09 H new ATOM 0 HA LEU A 7 -0.877 5.217 3.253 1.00 0.08 H new ATOM 0 HB2 LEU A 7 -1.821 5.878 0.832 1.00 0.10 H new ATOM 0 HB3 LEU A 7 -2.735 4.399 1.054 1.00 0.10 H new ATOM 0 HG LEU A 7 -2.742 6.701 3.004 1.00 0.10 H new ATOM 0 HD11 LEU A 7 -4.957 7.201 2.027 1.00 0.12 H new ATOM 0 HD12 LEU A 7 -3.660 7.348 0.817 1.00 0.12 H new ATOM 0 HD13 LEU A 7 -4.710 5.911 0.826 1.00 0.12 H new ATOM 0 HD21 LEU A 7 -4.742 5.615 3.898 1.00 0.12 H new ATOM 0 HD22 LEU A 7 -4.522 4.268 2.756 1.00 0.12 H new ATOM 0 HD23 LEU A 7 -3.308 4.568 4.022 1.00 0.12 H new ATOM 126 N ILE A 8 -1.453 2.909 4.056 1.00 0.09 N ATOM 127 CA ILE A 8 -1.782 1.559 4.481 1.00 0.10 C ATOM 128 C ILE A 8 -3.154 1.534 5.127 1.00 0.11 C ATOM 129 O ILE A 8 -3.308 1.958 6.266 1.00 0.13 O ATOM 130 CB ILE A 8 -0.756 0.972 5.468 1.00 0.12 C ATOM 131 CG1 ILE A 8 0.677 1.380 5.101 1.00 0.14 C ATOM 132 CG2 ILE A 8 -0.876 -0.544 5.493 1.00 0.15 C ATOM 133 CD1 ILE A 8 1.194 2.528 5.920 1.00 0.22 C ATOM 0 H ILE A 8 -1.266 3.571 4.809 1.00 0.09 H new ATOM 0 HA ILE A 8 -1.768 0.942 3.582 1.00 0.10 H new ATOM 0 HB ILE A 8 -0.972 1.373 6.458 1.00 0.12 H new ATOM 0 HG12 ILE A 8 1.337 0.522 5.232 1.00 0.14 H new ATOM 0 HG13 ILE A 8 0.712 1.650 4.046 1.00 0.14 H new ATOM 0 HG21 ILE A 8 -0.148 -0.955 6.193 1.00 0.15 H new ATOM 0 HG22 ILE A 8 -1.881 -0.824 5.808 1.00 0.15 H new ATOM 0 HG23 ILE A 8 -0.685 -0.941 4.496 1.00 0.15 H new ATOM 0 HD11 ILE A 8 2.212 2.766 5.611 1.00 0.22 H new ATOM 0 HD12 ILE A 8 0.556 3.399 5.770 1.00 0.22 H new ATOM 0 HD13 ILE A 8 1.190 2.253 6.975 1.00 0.22 H new ATOM 145 N VAL A 9 -4.144 1.052 4.394 1.00 0.17 N ATOM 146 CA VAL A 9 -5.504 0.979 4.902 1.00 0.18 C ATOM 147 C VAL A 9 -5.719 -0.342 5.626 1.00 0.18 C ATOM 148 O VAL A 9 -6.225 -1.287 5.045 1.00 0.28 O ATOM 149 CB VAL A 9 -6.555 1.103 3.782 1.00 0.19 C ATOM 150 CG1 VAL A 9 -7.962 1.158 4.369 1.00 0.23 C ATOM 151 CG2 VAL A 9 -6.276 2.324 2.928 1.00 0.26 C ATOM 0 H VAL A 9 -4.031 0.704 3.442 1.00 0.17 H new ATOM 0 HA VAL A 9 -5.632 1.818 5.586 1.00 0.18 H new ATOM 0 HB VAL A 9 -6.490 0.220 3.146 1.00 0.19 H new ATOM 0 HG11 VAL A 9 -8.690 1.246 3.562 1.00 0.23 H new ATOM 0 HG12 VAL A 9 -8.156 0.247 4.935 1.00 0.23 H new ATOM 0 HG13 VAL A 9 -8.047 2.021 5.030 1.00 0.23 H new ATOM 0 HG21 VAL A 9 -7.027 2.397 2.142 1.00 0.26 H new ATOM 0 HG22 VAL A 9 -6.313 3.219 3.549 1.00 0.26 H new ATOM 0 HG23 VAL A 9 -5.287 2.235 2.478 1.00 0.26 H new ATOM 161 N ASP A 10 -5.302 -0.404 6.875 1.00 0.17 N ATOM 162 CA ASP A 10 -5.415 -1.624 7.669 1.00 0.18 C ATOM 163 C ASP A 10 -5.990 -1.316 9.056 1.00 0.17 C ATOM 164 O ASP A 10 -5.709 -0.270 9.630 1.00 0.32 O ATOM 165 CB ASP A 10 -4.039 -2.277 7.793 1.00 0.30 C ATOM 166 CG ASP A 10 -3.960 -3.265 8.930 1.00 1.02 C ATOM 167 OD1 ASP A 10 -4.849 -4.130 9.037 1.00 1.26 O ATOM 168 OD2 ASP A 10 -3.018 -3.146 9.739 1.00 1.82 O ATOM 0 H ASP A 10 -4.878 0.380 7.370 1.00 0.17 H new ATOM 0 HA ASP A 10 -6.096 -2.313 7.169 1.00 0.18 H new ATOM 0 HB2 ASP A 10 -3.798 -2.785 6.859 1.00 0.30 H new ATOM 0 HB3 ASP A 10 -3.286 -1.502 7.938 1.00 0.30 H new ATOM 173 N ASP A 11 -6.796 -2.222 9.587 1.00 0.29 N ATOM 174 CA ASP A 11 -7.393 -2.035 10.909 1.00 0.31 C ATOM 175 C ASP A 11 -6.639 -2.853 11.935 1.00 0.37 C ATOM 176 O ASP A 11 -6.464 -2.424 13.081 1.00 0.46 O ATOM 177 CB ASP A 11 -8.868 -2.436 10.929 1.00 0.36 C ATOM 178 CG ASP A 11 -9.520 -2.208 12.281 1.00 0.41 C ATOM 179 OD1 ASP A 11 -9.392 -3.080 13.168 1.00 0.51 O ATOM 180 OD2 ASP A 11 -10.166 -1.153 12.463 1.00 0.44 O ATOM 0 H ASP A 11 -7.054 -3.095 9.127 1.00 0.29 H new ATOM 0 HA ASP A 11 -7.326 -0.974 11.152 1.00 0.31 H new ATOM 0 HB2 ASP A 11 -9.405 -1.866 10.171 1.00 0.36 H new ATOM 0 HB3 ASP A 11 -8.958 -3.488 10.660 1.00 0.36 H new ATOM 185 N GLN A 12 -6.184 -4.030 11.520 1.00 0.43 N ATOM 186 CA GLN A 12 -5.361 -4.855 12.378 1.00 0.54 C ATOM 187 C GLN A 12 -3.944 -4.317 12.289 1.00 0.49 C ATOM 188 O GLN A 12 -3.030 -4.957 11.769 1.00 0.68 O ATOM 189 CB GLN A 12 -5.477 -6.339 11.978 1.00 0.79 C ATOM 190 CG GLN A 12 -4.977 -6.667 10.575 1.00 0.71 C ATOM 191 CD GLN A 12 -5.724 -7.818 9.931 1.00 1.24 C ATOM 192 OE1 GLN A 12 -5.421 -8.988 10.175 1.00 1.80 O ATOM 193 NE2 GLN A 12 -6.658 -7.500 9.050 1.00 2.07 N ATOM 0 H GLN A 12 -6.373 -4.427 10.600 1.00 0.43 H new ATOM 0 HA GLN A 12 -5.691 -4.811 13.416 1.00 0.54 H new ATOM 0 HB2 GLN A 12 -4.918 -6.939 12.696 1.00 0.79 H new ATOM 0 HB3 GLN A 12 -6.522 -6.640 12.055 1.00 0.79 H new ATOM 0 HG2 GLN A 12 -5.073 -5.782 9.946 1.00 0.71 H new ATOM 0 HG3 GLN A 12 -3.916 -6.911 10.622 1.00 0.71 H new ATOM 0 HE21 GLN A 12 -6.881 -6.520 8.875 1.00 2.07 H new ATOM 0 HE22 GLN A 12 -7.155 -8.234 8.546 1.00 2.07 H new ATOM 202 N TYR A 13 -3.812 -3.132 12.892 1.00 0.37 N ATOM 203 CA TYR A 13 -2.712 -2.186 12.671 1.00 0.31 C ATOM 204 C TYR A 13 -1.314 -2.790 12.737 1.00 0.32 C ATOM 205 O TYR A 13 -0.348 -2.120 12.361 1.00 0.32 O ATOM 206 CB TYR A 13 -2.823 -1.008 13.646 1.00 0.35 C ATOM 207 CG TYR A 13 -2.335 -1.294 15.049 1.00 0.53 C ATOM 208 CD1 TYR A 13 -2.967 -2.230 15.860 1.00 0.86 C ATOM 209 CD2 TYR A 13 -1.234 -0.618 15.562 1.00 0.70 C ATOM 210 CE1 TYR A 13 -2.513 -2.482 17.141 1.00 1.12 C ATOM 211 CE2 TYR A 13 -0.778 -0.864 16.839 1.00 0.98 C ATOM 212 CZ TYR A 13 -1.420 -1.794 17.625 1.00 1.14 C ATOM 213 OH TYR A 13 -0.961 -2.040 18.897 1.00 1.44 O ATOM 0 H TYR A 13 -4.492 -2.792 13.572 1.00 0.37 H new ATOM 0 HA TYR A 13 -2.830 -1.848 11.642 1.00 0.31 H new ATOM 0 HB2 TYR A 13 -2.256 -0.168 13.244 1.00 0.35 H new ATOM 0 HB3 TYR A 13 -3.866 -0.694 13.697 1.00 0.35 H new ATOM 0 HD1 TYR A 13 -3.825 -2.768 15.484 1.00 0.86 H new ATOM 0 HD2 TYR A 13 -0.727 0.113 14.949 1.00 0.70 H new ATOM 0 HE1 TYR A 13 -3.011 -3.214 17.760 1.00 1.12 H new ATOM 0 HE2 TYR A 13 0.079 -0.330 17.221 1.00 0.98 H new ATOM 0 HH TYR A 13 -0.184 -1.472 19.080 1.00 1.44 H new ATOM 223 N GLY A 14 -1.190 -4.004 13.253 1.00 0.35 N ATOM 224 CA GLY A 14 0.059 -4.720 13.134 1.00 0.38 C ATOM 225 C GLY A 14 0.588 -4.647 11.714 1.00 0.35 C ATOM 226 O GLY A 14 1.645 -4.073 11.476 1.00 0.36 O ATOM 0 H GLY A 14 -1.929 -4.502 13.749 1.00 0.35 H new ATOM 0 HA2 GLY A 14 0.792 -4.299 13.822 1.00 0.38 H new ATOM 0 HA3 GLY A 14 -0.085 -5.762 13.420 1.00 0.38 H new ATOM 230 N ILE A 15 -0.198 -5.144 10.757 1.00 0.37 N ATOM 231 CA ILE A 15 0.195 -5.120 9.341 1.00 0.40 C ATOM 232 C ILE A 15 0.539 -3.709 8.917 1.00 0.30 C ATOM 233 O ILE A 15 1.422 -3.483 8.093 1.00 0.29 O ATOM 234 CB ILE A 15 -0.928 -5.571 8.371 1.00 0.54 C ATOM 235 CG1 ILE A 15 -1.964 -6.500 9.020 1.00 0.80 C ATOM 236 CG2 ILE A 15 -0.319 -6.220 7.138 1.00 0.79 C ATOM 237 CD1 ILE A 15 -1.435 -7.825 9.509 1.00 0.75 C ATOM 0 H ILE A 15 -1.109 -5.568 10.933 1.00 0.37 H new ATOM 0 HA ILE A 15 1.037 -5.809 9.277 1.00 0.40 H new ATOM 0 HB ILE A 15 -1.474 -4.672 8.083 1.00 0.54 H new ATOM 0 HG12 ILE A 15 -2.418 -5.977 9.862 1.00 0.80 H new ATOM 0 HG13 ILE A 15 -2.758 -6.690 8.298 1.00 0.80 H new ATOM 0 HG21 ILE A 15 -1.114 -6.534 6.462 1.00 0.79 H new ATOM 0 HG22 ILE A 15 0.327 -5.503 6.631 1.00 0.79 H new ATOM 0 HG23 ILE A 15 0.268 -7.089 7.436 1.00 0.79 H new ATOM 0 HD11 ILE A 15 -2.249 -8.402 9.949 1.00 0.75 H new ATOM 0 HD12 ILE A 15 -1.010 -8.378 8.672 1.00 0.75 H new ATOM 0 HD13 ILE A 15 -0.664 -7.654 10.260 1.00 0.75 H new ATOM 249 N ARG A 16 -0.145 -2.763 9.520 1.00 0.25 N ATOM 250 CA ARG A 16 -0.158 -1.409 9.024 1.00 0.19 C ATOM 251 C ARG A 16 1.121 -0.693 9.381 1.00 0.20 C ATOM 252 O ARG A 16 1.740 -0.077 8.528 1.00 0.22 O ATOM 253 CB ARG A 16 -1.347 -0.642 9.574 1.00 0.16 C ATOM 254 CG ARG A 16 -1.924 0.324 8.574 1.00 0.14 C ATOM 255 CD ARG A 16 -2.550 1.508 9.258 1.00 0.12 C ATOM 256 NE ARG A 16 -3.622 1.133 10.167 1.00 0.16 N ATOM 257 CZ ARG A 16 -3.766 1.618 11.397 1.00 0.25 C ATOM 258 NH1 ARG A 16 -2.880 2.478 11.885 1.00 0.38 N ATOM 259 NH2 ARG A 16 -4.791 1.228 12.141 1.00 0.31 N ATOM 0 H ARG A 16 -0.703 -2.910 10.361 1.00 0.25 H new ATOM 0 HA ARG A 16 -0.243 -1.456 7.938 1.00 0.19 H new ATOM 0 HB2 ARG A 16 -2.120 -1.347 9.880 1.00 0.16 H new ATOM 0 HB3 ARG A 16 -1.041 -0.096 10.467 1.00 0.16 H new ATOM 0 HG2 ARG A 16 -1.139 0.664 7.899 1.00 0.14 H new ATOM 0 HG3 ARG A 16 -2.671 -0.184 7.964 1.00 0.14 H new ATOM 0 HD2 ARG A 16 -1.783 2.049 9.812 1.00 0.12 H new ATOM 0 HD3 ARG A 16 -2.941 2.192 8.505 1.00 0.12 H new ATOM 0 HE ARG A 16 -4.308 0.453 9.839 1.00 0.16 H new ATOM 0 HH11 ARG A 16 -2.085 2.769 11.316 1.00 0.38 H new ATOM 0 HH12 ARG A 16 -2.994 2.848 12.829 1.00 0.38 H new ATOM 0 HH21 ARG A 16 -5.465 0.559 11.770 1.00 0.31 H new ATOM 0 HH22 ARG A 16 -4.906 1.597 13.085 1.00 0.31 H new ATOM 273 N ILE A 17 1.512 -0.782 10.645 1.00 0.22 N ATOM 274 CA ILE A 17 2.748 -0.164 11.102 1.00 0.25 C ATOM 275 C ILE A 17 3.928 -1.002 10.643 1.00 0.29 C ATOM 276 O ILE A 17 5.041 -0.498 10.489 1.00 0.31 O ATOM 277 CB ILE A 17 2.783 -0.008 12.638 1.00 0.31 C ATOM 278 CG1 ILE A 17 2.645 -1.373 13.316 1.00 0.35 C ATOM 279 CG2 ILE A 17 1.679 0.935 13.093 1.00 0.30 C ATOM 280 CD1 ILE A 17 2.800 -1.329 14.821 1.00 0.56 C ATOM 0 H ILE A 17 0.992 -1.275 11.371 1.00 0.22 H new ATOM 0 HA ILE A 17 2.804 0.835 10.670 1.00 0.25 H new ATOM 0 HB ILE A 17 3.743 0.419 12.927 1.00 0.31 H new ATOM 0 HG12 ILE A 17 1.668 -1.791 13.073 1.00 0.35 H new ATOM 0 HG13 ILE A 17 3.393 -2.050 12.903 1.00 0.35 H new ATOM 0 HG21 ILE A 17 1.713 1.038 14.178 1.00 0.30 H new ATOM 0 HG22 ILE A 17 1.822 1.912 12.631 1.00 0.30 H new ATOM 0 HG23 ILE A 17 0.711 0.532 12.797 1.00 0.30 H new ATOM 0 HD11 ILE A 17 2.689 -2.334 15.228 1.00 0.56 H new ATOM 0 HD12 ILE A 17 3.787 -0.942 15.074 1.00 0.56 H new ATOM 0 HD13 ILE A 17 2.035 -0.679 15.247 1.00 0.56 H new ATOM 292 N LEU A 18 3.662 -2.287 10.430 1.00 0.32 N ATOM 293 CA LEU A 18 4.625 -3.186 9.814 1.00 0.37 C ATOM 294 C LEU A 18 4.998 -2.660 8.434 1.00 0.33 C ATOM 295 O LEU A 18 6.120 -2.204 8.221 1.00 0.32 O ATOM 296 CB LEU A 18 4.037 -4.600 9.732 1.00 0.44 C ATOM 297 CG LEU A 18 4.600 -5.501 8.634 1.00 0.49 C ATOM 298 CD1 LEU A 18 6.078 -5.789 8.859 1.00 0.53 C ATOM 299 CD2 LEU A 18 3.808 -6.794 8.572 1.00 0.58 C ATOM 0 H LEU A 18 2.778 -2.730 10.679 1.00 0.32 H new ATOM 0 HA LEU A 18 5.530 -3.233 10.420 1.00 0.37 H new ATOM 0 HB2 LEU A 18 4.192 -5.092 10.692 1.00 0.44 H new ATOM 0 HB3 LEU A 18 2.960 -4.516 9.587 1.00 0.44 H new ATOM 0 HG LEU A 18 4.507 -4.980 7.681 1.00 0.49 H new ATOM 0 HD11 LEU A 18 6.449 -6.432 8.061 1.00 0.53 H new ATOM 0 HD12 LEU A 18 6.635 -4.852 8.858 1.00 0.53 H new ATOM 0 HD13 LEU A 18 6.209 -6.289 9.819 1.00 0.53 H new ATOM 0 HD21 LEU A 18 4.214 -7.432 7.787 1.00 0.58 H new ATOM 0 HD22 LEU A 18 3.877 -7.309 9.530 1.00 0.58 H new ATOM 0 HD23 LEU A 18 2.764 -6.571 8.354 1.00 0.58 H new ATOM 311 N LEU A 19 4.035 -2.696 7.516 1.00 0.30 N ATOM 312 CA LEU A 19 4.217 -2.152 6.173 1.00 0.27 C ATOM 313 C LEU A 19 4.667 -0.699 6.241 1.00 0.22 C ATOM 314 O LEU A 19 5.539 -0.279 5.482 1.00 0.22 O ATOM 315 CB LEU A 19 2.907 -2.224 5.385 1.00 0.31 C ATOM 316 CG LEU A 19 2.285 -3.611 5.238 1.00 0.57 C ATOM 317 CD1 LEU A 19 0.859 -3.479 4.728 1.00 1.23 C ATOM 318 CD2 LEU A 19 3.112 -4.481 4.298 1.00 1.15 C ATOM 0 H LEU A 19 3.113 -3.100 7.680 1.00 0.30 H new ATOM 0 HA LEU A 19 4.980 -2.748 5.672 1.00 0.27 H new ATOM 0 HB2 LEU A 19 2.180 -1.572 5.869 1.00 0.31 H new ATOM 0 HB3 LEU A 19 3.084 -1.820 4.388 1.00 0.31 H new ATOM 0 HG LEU A 19 2.272 -4.095 6.214 1.00 0.57 H new ATOM 0 HD11 LEU A 19 0.417 -4.470 4.624 1.00 1.23 H new ATOM 0 HD12 LEU A 19 0.273 -2.892 5.435 1.00 1.23 H new ATOM 0 HD13 LEU A 19 0.864 -2.980 3.759 1.00 1.23 H new ATOM 0 HD21 LEU A 19 2.649 -5.464 4.210 1.00 1.15 H new ATOM 0 HD22 LEU A 19 3.159 -4.012 3.315 1.00 1.15 H new ATOM 0 HD23 LEU A 19 4.121 -4.590 4.696 1.00 1.15 H new ATOM 330 N ASN A 20 4.067 0.051 7.166 1.00 0.20 N ATOM 331 CA ASN A 20 4.386 1.461 7.356 1.00 0.19 C ATOM 332 C ASN A 20 5.884 1.640 7.480 1.00 0.21 C ATOM 333 O ASN A 20 6.516 2.162 6.580 1.00 0.22 O ATOM 334 CB ASN A 20 3.699 2.001 8.613 1.00 0.23 C ATOM 335 CG ASN A 20 3.908 3.487 8.825 1.00 0.32 C ATOM 336 OD1 ASN A 20 3.133 4.307 8.333 1.00 0.94 O ATOM 337 ND2 ASN A 20 4.935 3.846 9.578 1.00 0.50 N ATOM 0 H ASN A 20 3.350 -0.302 7.800 1.00 0.20 H new ATOM 0 HA ASN A 20 4.025 2.017 6.490 1.00 0.19 H new ATOM 0 HB2 ASN A 20 2.630 1.798 8.549 1.00 0.23 H new ATOM 0 HB3 ASN A 20 4.074 1.462 9.483 1.00 0.23 H new ATOM 0 HD21 ASN A 20 5.107 4.833 9.769 1.00 0.50 H new ATOM 0 HD22 ASN A 20 5.555 3.136 9.968 1.00 0.50 H new ATOM 344 N GLU A 21 6.447 1.156 8.578 1.00 0.24 N ATOM 345 CA GLU A 21 7.877 1.289 8.839 1.00 0.29 C ATOM 346 C GLU A 21 8.715 0.647 7.731 1.00 0.29 C ATOM 347 O GLU A 21 9.734 1.210 7.327 1.00 0.31 O ATOM 348 CB GLU A 21 8.216 0.659 10.191 1.00 0.35 C ATOM 349 CG GLU A 21 9.676 0.793 10.583 1.00 0.92 C ATOM 350 CD GLU A 21 9.968 0.172 11.932 1.00 1.79 C ATOM 351 OE1 GLU A 21 9.775 0.856 12.959 1.00 2.46 O ATOM 352 OE2 GLU A 21 10.389 -1.000 11.973 1.00 2.40 O ATOM 0 H GLU A 21 5.933 0.664 9.308 1.00 0.24 H new ATOM 0 HA GLU A 21 8.119 2.351 8.861 1.00 0.29 H new ATOM 0 HB2 GLU A 21 7.599 1.122 10.961 1.00 0.35 H new ATOM 0 HB3 GLU A 21 7.953 -0.398 10.164 1.00 0.35 H new ATOM 0 HG2 GLU A 21 10.299 0.318 9.825 1.00 0.92 H new ATOM 0 HG3 GLU A 21 9.949 1.848 10.605 1.00 0.92 H new ATOM 359 N VAL A 22 8.278 -0.513 7.234 1.00 0.28 N ATOM 360 CA VAL A 22 9.019 -1.227 6.191 1.00 0.30 C ATOM 361 C VAL A 22 9.269 -0.340 4.972 1.00 0.28 C ATOM 362 O VAL A 22 10.414 -0.144 4.565 1.00 0.34 O ATOM 363 CB VAL A 22 8.301 -2.527 5.743 1.00 0.32 C ATOM 364 CG1 VAL A 22 8.907 -3.060 4.454 1.00 0.36 C ATOM 365 CG2 VAL A 22 8.393 -3.587 6.829 1.00 0.37 C ATOM 0 H VAL A 22 7.420 -0.976 7.535 1.00 0.28 H new ATOM 0 HA VAL A 22 9.976 -1.500 6.636 1.00 0.30 H new ATOM 0 HB VAL A 22 7.252 -2.289 5.566 1.00 0.32 H new ATOM 0 HG11 VAL A 22 8.388 -3.972 4.158 1.00 0.36 H new ATOM 0 HG12 VAL A 22 8.804 -2.313 3.667 1.00 0.36 H new ATOM 0 HG13 VAL A 22 9.963 -3.278 4.611 1.00 0.36 H new ATOM 0 HG21 VAL A 22 7.884 -4.492 6.498 1.00 0.37 H new ATOM 0 HG22 VAL A 22 9.440 -3.812 7.030 1.00 0.37 H new ATOM 0 HG23 VAL A 22 7.921 -3.217 7.739 1.00 0.37 H new ATOM 375 N PHE A 23 8.205 0.214 4.404 1.00 0.23 N ATOM 376 CA PHE A 23 8.346 1.041 3.217 1.00 0.22 C ATOM 377 C PHE A 23 8.824 2.419 3.601 1.00 0.21 C ATOM 378 O PHE A 23 9.604 3.036 2.880 1.00 0.23 O ATOM 379 CB PHE A 23 7.026 1.179 2.473 1.00 0.21 C ATOM 380 CG PHE A 23 6.296 -0.113 2.259 1.00 0.26 C ATOM 381 CD1 PHE A 23 6.958 -1.211 1.734 1.00 0.35 C ATOM 382 CD2 PHE A 23 4.957 -0.234 2.583 1.00 0.27 C ATOM 383 CE1 PHE A 23 6.298 -2.402 1.536 1.00 0.43 C ATOM 384 CE2 PHE A 23 4.292 -1.425 2.384 1.00 0.35 C ATOM 385 CZ PHE A 23 4.930 -2.491 1.865 1.00 0.41 C ATOM 0 H PHE A 23 7.249 0.107 4.742 1.00 0.23 H new ATOM 0 HA PHE A 23 9.071 0.554 2.565 1.00 0.22 H new ATOM 0 HB2 PHE A 23 6.380 1.859 3.028 1.00 0.21 H new ATOM 0 HB3 PHE A 23 7.216 1.639 1.503 1.00 0.21 H new ATOM 0 HD1 PHE A 23 8.004 -1.131 1.477 1.00 0.35 H new ATOM 0 HD2 PHE A 23 4.428 0.612 2.996 1.00 0.27 H new ATOM 0 HE1 PHE A 23 6.821 -3.257 1.134 1.00 0.43 H new ATOM 0 HE2 PHE A 23 3.248 -1.504 2.647 1.00 0.35 H new ATOM 0 HZ PHE A 23 4.394 -3.414 1.701 1.00 0.41 H new ATOM 395 N ASN A 24 8.340 2.898 4.741 1.00 0.19 N ATOM 396 CA ASN A 24 8.650 4.237 5.210 1.00 0.19 C ATOM 397 C ASN A 24 10.143 4.439 5.161 1.00 0.24 C ATOM 398 O ASN A 24 10.657 5.392 4.574 1.00 0.24 O ATOM 399 CB ASN A 24 8.167 4.426 6.654 1.00 0.21 C ATOM 400 CG ASN A 24 8.083 5.887 7.045 1.00 0.23 C ATOM 401 OD1 ASN A 24 6.928 6.490 6.799 1.00 0.28 O flip ATOM 402 ND2 ASN A 24 9.034 6.468 7.570 1.00 0.26 N flip ATOM 0 H ASN A 24 7.725 2.370 5.361 1.00 0.19 H new ATOM 0 HA ASN A 24 8.146 4.962 4.571 1.00 0.19 H new ATOM 0 HB2 ASN A 24 7.187 3.964 6.770 1.00 0.21 H new ATOM 0 HB3 ASN A 24 8.846 3.909 7.332 1.00 0.21 H new ATOM 0 HD21 ASN A 24 9.906 5.967 7.742 1.00 0.26 H new ATOM 0 HD22 ASN A 24 8.950 7.450 7.833 1.00 0.26 H new ATOM 409 N LYS A 25 10.806 3.465 5.750 1.00 0.32 N ATOM 410 CA LYS A 25 12.252 3.412 5.861 1.00 0.41 C ATOM 411 C LYS A 25 12.930 3.533 4.491 1.00 0.41 C ATOM 412 O LYS A 25 13.931 4.247 4.368 1.00 0.47 O ATOM 413 CB LYS A 25 12.630 2.111 6.583 1.00 0.51 C ATOM 414 CG LYS A 25 14.114 1.799 6.647 1.00 0.59 C ATOM 415 CD LYS A 25 14.528 0.900 5.502 1.00 1.02 C ATOM 416 CE LYS A 25 15.412 1.633 4.524 1.00 2.32 C ATOM 417 NZ LYS A 25 15.833 0.756 3.404 1.00 3.25 N ATOM 0 H LYS A 25 10.341 2.664 6.178 1.00 0.32 H new ATOM 0 HA LYS A 25 12.610 4.262 6.441 1.00 0.41 H new ATOM 0 HB2 LYS A 25 12.243 2.157 7.601 1.00 0.51 H new ATOM 0 HB3 LYS A 25 12.125 1.282 6.087 1.00 0.51 H new ATOM 0 HG2 LYS A 25 14.686 2.726 6.612 1.00 0.59 H new ATOM 0 HG3 LYS A 25 14.347 1.316 7.596 1.00 0.59 H new ATOM 0 HD2 LYS A 25 15.056 0.030 5.892 1.00 1.02 H new ATOM 0 HD3 LYS A 25 13.641 0.530 4.988 1.00 1.02 H new ATOM 0 HE2 LYS A 25 14.879 2.498 4.129 1.00 2.32 H new ATOM 0 HE3 LYS A 25 16.293 2.011 5.042 1.00 2.32 H new ATOM 0 HZ1 LYS A 25 15.926 1.322 2.536 1.00 3.25 H new ATOM 0 HZ2 LYS A 25 16.748 0.317 3.632 1.00 3.25 H new ATOM 0 HZ3 LYS A 25 15.120 0.013 3.258 1.00 3.25 H new ATOM 431 N GLU A 26 12.389 2.841 3.473 1.00 0.42 N ATOM 432 CA GLU A 26 12.908 2.936 2.094 1.00 0.53 C ATOM 433 C GLU A 26 12.991 4.383 1.680 1.00 0.45 C ATOM 434 O GLU A 26 13.891 4.807 0.958 1.00 0.66 O ATOM 435 CB GLU A 26 11.988 2.235 1.098 1.00 0.91 C ATOM 436 CG GLU A 26 11.572 0.858 1.524 1.00 0.40 C ATOM 437 CD GLU A 26 12.748 -0.098 1.657 1.00 0.79 C ATOM 438 OE1 GLU A 26 13.459 -0.035 2.685 1.00 1.45 O ATOM 439 OE2 GLU A 26 12.957 -0.924 0.751 1.00 1.43 O ATOM 0 H GLU A 26 11.594 2.211 3.577 1.00 0.42 H new ATOM 0 HA GLU A 26 13.889 2.460 2.087 1.00 0.53 H new ATOM 0 HB2 GLU A 26 11.096 2.844 0.950 1.00 0.91 H new ATOM 0 HB3 GLU A 26 12.493 2.170 0.134 1.00 0.91 H new ATOM 0 HG2 GLU A 26 11.050 0.920 2.479 1.00 0.40 H new ATOM 0 HG3 GLU A 26 10.864 0.457 0.799 1.00 0.40 H new ATOM 446 N GLY A 27 12.034 5.119 2.179 1.00 0.38 N ATOM 447 CA GLY A 27 11.818 6.468 1.768 1.00 0.44 C ATOM 448 C GLY A 27 10.350 6.711 1.613 1.00 0.37 C ATOM 449 O GLY A 27 9.916 7.845 1.410 1.00 0.44 O ATOM 0 H GLY A 27 11.380 4.790 2.889 1.00 0.38 H new ATOM 0 HA2 GLY A 27 12.236 7.155 2.504 1.00 0.44 H new ATOM 0 HA3 GLY A 27 12.331 6.659 0.825 1.00 0.44 H new ATOM 453 N TYR A 28 9.568 5.640 1.740 1.00 0.26 N ATOM 454 CA TYR A 28 8.152 5.744 1.452 1.00 0.24 C ATOM 455 C TYR A 28 7.458 6.559 2.506 1.00 0.24 C ATOM 456 O TYR A 28 7.586 6.305 3.699 1.00 0.41 O ATOM 457 CB TYR A 28 7.480 4.381 1.343 1.00 0.25 C ATOM 458 CG TYR A 28 7.396 3.842 -0.063 1.00 0.40 C ATOM 459 CD1 TYR A 28 6.490 4.361 -0.977 1.00 0.58 C ATOM 460 CD2 TYR A 28 8.234 2.811 -0.480 1.00 0.57 C ATOM 461 CE1 TYR A 28 6.416 3.867 -2.263 1.00 0.78 C ATOM 462 CE2 TYR A 28 8.165 2.313 -1.765 1.00 0.77 C ATOM 463 CZ TYR A 28 7.227 2.857 -2.654 1.00 0.87 C ATOM 464 OH TYR A 28 7.188 2.357 -3.932 1.00 1.07 O ATOM 0 H TYR A 28 9.886 4.716 2.033 1.00 0.26 H new ATOM 0 HA TYR A 28 8.065 6.239 0.485 1.00 0.24 H new ATOM 0 HB2 TYR A 28 8.027 3.669 1.961 1.00 0.25 H new ATOM 0 HB3 TYR A 28 6.473 4.451 1.754 1.00 0.25 H new ATOM 0 HD1 TYR A 28 5.833 5.164 -0.677 1.00 0.58 H new ATOM 0 HD2 TYR A 28 8.949 2.394 0.214 1.00 0.57 H new ATOM 0 HE1 TYR A 28 5.708 4.288 -2.961 1.00 0.78 H new ATOM 0 HE2 TYR A 28 8.823 1.517 -2.081 1.00 0.77 H new ATOM 0 HH TYR A 28 7.904 2.762 -4.464 1.00 1.07 H new ATOM 474 N GLN A 29 6.740 7.559 2.077 1.00 0.17 N ATOM 475 CA GLN A 29 5.940 8.312 2.993 1.00 0.16 C ATOM 476 C GLN A 29 4.644 7.580 3.207 1.00 0.12 C ATOM 477 O GLN A 29 3.636 7.862 2.568 1.00 0.13 O ATOM 478 CB GLN A 29 5.712 9.710 2.455 1.00 0.24 C ATOM 479 CG GLN A 29 7.007 10.442 2.175 1.00 0.30 C ATOM 480 CD GLN A 29 6.842 11.517 1.134 1.00 0.53 C ATOM 481 OE1 GLN A 29 7.067 11.155 -0.119 1.00 1.14 O flip ATOM 482 NE2 GLN A 29 6.528 12.661 1.445 1.00 0.53 N flip ATOM 0 H GLN A 29 6.694 7.868 1.106 1.00 0.17 H new ATOM 0 HA GLN A 29 6.449 8.414 3.951 1.00 0.16 H new ATOM 0 HB2 GLN A 29 5.126 9.652 1.538 1.00 0.24 H new ATOM 0 HB3 GLN A 29 5.124 10.281 3.174 1.00 0.24 H new ATOM 0 HG2 GLN A 29 7.377 10.887 3.098 1.00 0.30 H new ATOM 0 HG3 GLN A 29 7.760 9.728 1.841 1.00 0.30 H new ATOM 0 HE21 GLN A 29 6.364 12.897 2.424 1.00 0.53 H new ATOM 0 HE22 GLN A 29 6.431 13.377 0.725 1.00 0.53 H new ATOM 491 N THR A 30 4.699 6.592 4.071 1.00 0.11 N ATOM 492 CA THR A 30 3.569 5.734 4.285 1.00 0.10 C ATOM 493 C THR A 30 2.690 6.293 5.392 1.00 0.10 C ATOM 494 O THR A 30 3.184 6.699 6.448 1.00 0.14 O ATOM 495 CB THR A 30 4.037 4.322 4.657 1.00 0.11 C ATOM 496 OG1 THR A 30 4.531 4.307 5.999 1.00 0.14 O ATOM 497 CG2 THR A 30 5.151 3.850 3.741 1.00 0.12 C ATOM 0 H THR A 30 5.518 6.367 4.635 1.00 0.11 H new ATOM 0 HA THR A 30 2.991 5.684 3.362 1.00 0.10 H new ATOM 0 HB THR A 30 3.179 3.658 4.555 1.00 0.11 H new ATOM 0 HG1 THR A 30 3.787 4.441 6.623 1.00 0.14 H new ATOM 0 HG21 THR A 30 5.460 2.846 4.031 1.00 0.12 H new ATOM 0 HG22 THR A 30 4.794 3.836 2.711 1.00 0.12 H new ATOM 0 HG23 THR A 30 6.000 4.528 3.821 1.00 0.12 H new ATOM 505 N PHE A 31 1.390 6.335 5.150 1.00 0.09 N ATOM 506 CA PHE A 31 0.469 6.832 6.133 1.00 0.09 C ATOM 507 C PHE A 31 -0.584 5.803 6.405 1.00 0.10 C ATOM 508 O PHE A 31 -1.254 5.287 5.510 1.00 0.19 O ATOM 509 CB PHE A 31 -0.150 8.159 5.727 1.00 0.11 C ATOM 510 CG PHE A 31 0.673 9.343 6.140 1.00 0.17 C ATOM 511 CD1 PHE A 31 1.854 9.648 5.484 1.00 0.20 C ATOM 512 CD2 PHE A 31 0.270 10.145 7.196 1.00 0.27 C ATOM 513 CE1 PHE A 31 2.618 10.731 5.873 1.00 0.26 C ATOM 514 CE2 PHE A 31 1.029 11.230 7.588 1.00 0.34 C ATOM 515 CZ PHE A 31 2.204 11.523 6.925 1.00 0.30 C ATOM 0 H PHE A 31 0.958 6.029 4.278 1.00 0.09 H new ATOM 0 HA PHE A 31 1.027 7.023 7.050 1.00 0.09 H new ATOM 0 HB2 PHE A 31 -0.282 8.176 4.645 1.00 0.11 H new ATOM 0 HB3 PHE A 31 -1.142 8.241 6.171 1.00 0.11 H new ATOM 0 HD1 PHE A 31 2.181 9.032 4.659 1.00 0.20 H new ATOM 0 HD2 PHE A 31 -0.648 9.919 7.718 1.00 0.27 H new ATOM 0 HE1 PHE A 31 3.538 10.958 5.355 1.00 0.26 H new ATOM 0 HE2 PHE A 31 0.704 11.848 8.412 1.00 0.34 H new ATOM 0 HZ PHE A 31 2.799 12.371 7.229 1.00 0.30 H new ATOM 525 N GLN A 32 -0.673 5.499 7.655 1.00 0.12 N ATOM 526 CA GLN A 32 -1.501 4.444 8.154 1.00 0.10 C ATOM 527 C GLN A 32 -2.960 4.898 8.315 1.00 0.09 C ATOM 528 O GLN A 32 -3.255 5.837 9.055 1.00 0.12 O ATOM 529 CB GLN A 32 -0.895 3.989 9.483 1.00 0.12 C ATOM 530 CG GLN A 32 -0.105 5.072 10.199 1.00 0.14 C ATOM 531 CD GLN A 32 0.684 4.530 11.374 1.00 0.18 C ATOM 532 OE1 GLN A 32 1.925 4.147 11.115 1.00 0.22 O flip ATOM 533 NE2 GLN A 32 0.185 4.456 12.493 1.00 0.19 N flip ATOM 0 H GLN A 32 -0.157 5.991 8.384 1.00 0.12 H new ATOM 0 HA GLN A 32 -1.529 3.614 7.448 1.00 0.10 H new ATOM 0 HB2 GLN A 32 -1.695 3.643 10.137 1.00 0.12 H new ATOM 0 HB3 GLN A 32 -0.242 3.136 9.301 1.00 0.12 H new ATOM 0 HG2 GLN A 32 0.578 5.546 9.494 1.00 0.14 H new ATOM 0 HG3 GLN A 32 -0.789 5.845 10.550 1.00 0.14 H new ATOM 0 HE21 GLN A 32 -0.776 4.764 12.644 1.00 0.19 H new ATOM 0 HE22 GLN A 32 0.731 4.087 13.272 1.00 0.19 H new ATOM 542 N ALA A 33 -3.854 4.212 7.615 1.00 0.09 N ATOM 543 CA ALA A 33 -5.292 4.469 7.675 1.00 0.08 C ATOM 544 C ALA A 33 -6.012 3.199 8.059 1.00 0.11 C ATOM 545 O ALA A 33 -5.851 2.179 7.416 1.00 0.23 O ATOM 546 CB ALA A 33 -5.811 4.972 6.334 1.00 0.10 C ATOM 0 H ALA A 33 -3.601 3.453 6.982 1.00 0.09 H new ATOM 0 HA ALA A 33 -5.478 5.240 8.423 1.00 0.08 H new ATOM 0 HB1 ALA A 33 -6.883 5.156 6.405 1.00 0.10 H new ATOM 0 HB2 ALA A 33 -5.301 5.898 6.071 1.00 0.10 H new ATOM 0 HB3 ALA A 33 -5.621 4.222 5.566 1.00 0.10 H new ATOM 552 N ALA A 34 -6.787 3.251 9.117 1.00 0.09 N ATOM 553 CA ALA A 34 -7.502 2.067 9.558 1.00 0.10 C ATOM 554 C ALA A 34 -8.813 1.906 8.813 1.00 0.12 C ATOM 555 O ALA A 34 -9.493 0.890 8.945 1.00 0.18 O ATOM 556 CB ALA A 34 -7.745 2.111 11.050 1.00 0.14 C ATOM 0 H ALA A 34 -6.940 4.085 9.684 1.00 0.09 H new ATOM 0 HA ALA A 34 -6.878 1.202 9.334 1.00 0.10 H new ATOM 0 HB1 ALA A 34 -8.282 1.214 11.358 1.00 0.14 H new ATOM 0 HB2 ALA A 34 -6.790 2.159 11.573 1.00 0.14 H new ATOM 0 HB3 ALA A 34 -8.338 2.992 11.296 1.00 0.14 H new ATOM 562 N ASN A 35 -9.175 2.912 8.036 1.00 0.10 N ATOM 563 CA ASN A 35 -10.423 2.872 7.298 1.00 0.13 C ATOM 564 C ASN A 35 -10.327 3.647 5.999 1.00 0.10 C ATOM 565 O ASN A 35 -9.402 4.423 5.807 1.00 0.08 O ATOM 566 CB ASN A 35 -11.585 3.372 8.163 1.00 0.17 C ATOM 567 CG ASN A 35 -11.213 4.590 8.988 1.00 0.20 C ATOM 568 OD1 ASN A 35 -11.573 5.769 8.518 1.00 0.29 O flip ATOM 569 ND2 ASN A 35 -10.637 4.468 10.068 1.00 0.19 N flip ATOM 0 H ASN A 35 -8.626 3.761 7.901 1.00 0.10 H new ATOM 0 HA ASN A 35 -10.622 1.832 7.038 1.00 0.13 H new ATOM 0 HB2 ASN A 35 -12.432 3.616 7.522 1.00 0.17 H new ATOM 0 HB3 ASN A 35 -11.909 2.572 8.828 1.00 0.17 H new ATOM 0 HD21 ASN A 35 -10.372 3.542 10.403 1.00 0.19 H new ATOM 0 HD22 ASN A 35 -10.424 5.293 10.629 1.00 0.19 H new ATOM 576 N GLY A 36 -11.299 3.428 5.121 1.00 0.12 N ATOM 577 CA GLY A 36 -11.282 4.027 3.792 1.00 0.14 C ATOM 578 C GLY A 36 -11.531 5.512 3.805 1.00 0.11 C ATOM 579 O GLY A 36 -11.191 6.217 2.859 1.00 0.13 O ATOM 0 H GLY A 36 -12.111 2.839 5.306 1.00 0.12 H new ATOM 0 HA2 GLY A 36 -10.317 3.832 3.325 1.00 0.14 H new ATOM 0 HA3 GLY A 36 -12.039 3.544 3.174 1.00 0.14 H new ATOM 583 N LEU A 37 -12.115 5.991 4.881 1.00 0.11 N ATOM 584 CA LEU A 37 -12.358 7.411 5.040 1.00 0.13 C ATOM 585 C LEU A 37 -11.083 8.054 5.441 1.00 0.10 C ATOM 586 O LEU A 37 -10.706 9.122 4.967 1.00 0.11 O ATOM 587 CB LEU A 37 -13.319 7.664 6.173 1.00 0.17 C ATOM 588 CG LEU A 37 -14.759 7.155 6.011 1.00 0.23 C ATOM 589 CD1 LEU A 37 -15.305 7.494 4.634 1.00 0.27 C ATOM 590 CD2 LEU A 37 -14.842 5.659 6.273 1.00 0.28 C ATOM 0 H LEU A 37 -12.432 5.417 5.662 1.00 0.11 H new ATOM 0 HA LEU A 37 -12.758 7.799 4.103 1.00 0.13 H new ATOM 0 HB2 LEU A 37 -12.903 7.213 7.074 1.00 0.17 H new ATOM 0 HB3 LEU A 37 -13.360 8.740 6.345 1.00 0.17 H new ATOM 0 HG LEU A 37 -15.377 7.661 6.753 1.00 0.23 H new ATOM 0 HD11 LEU A 37 -16.326 7.122 4.546 1.00 0.27 H new ATOM 0 HD12 LEU A 37 -15.299 8.575 4.496 1.00 0.27 H new ATOM 0 HD13 LEU A 37 -14.682 7.028 3.871 1.00 0.27 H new ATOM 0 HD21 LEU A 37 -15.872 5.325 6.152 1.00 0.28 H new ATOM 0 HD22 LEU A 37 -14.203 5.130 5.566 1.00 0.28 H new ATOM 0 HD23 LEU A 37 -14.510 5.449 7.290 1.00 0.28 H new ATOM 602 N GLN A 38 -10.434 7.364 6.347 1.00 0.10 N ATOM 603 CA GLN A 38 -9.160 7.764 6.816 1.00 0.11 C ATOM 604 C GLN A 38 -8.266 7.756 5.621 1.00 0.10 C ATOM 605 O GLN A 38 -7.526 8.684 5.388 1.00 0.15 O ATOM 606 CB GLN A 38 -8.671 6.777 7.865 1.00 0.19 C ATOM 607 CG GLN A 38 -7.312 7.105 8.407 1.00 0.36 C ATOM 608 CD GLN A 38 -7.370 8.009 9.610 1.00 0.67 C ATOM 609 OE1 GLN A 38 -7.401 9.233 9.486 1.00 0.99 O ATOM 610 NE2 GLN A 38 -7.374 7.409 10.782 1.00 1.29 N ATOM 0 H GLN A 38 -10.789 6.508 6.772 1.00 0.10 H new ATOM 0 HA GLN A 38 -9.181 8.749 7.281 1.00 0.11 H new ATOM 0 HB2 GLN A 38 -9.385 6.750 8.688 1.00 0.19 H new ATOM 0 HB3 GLN A 38 -8.649 5.778 7.430 1.00 0.19 H new ATOM 0 HG2 GLN A 38 -6.800 6.181 8.676 1.00 0.36 H new ATOM 0 HG3 GLN A 38 -6.719 7.583 7.627 1.00 0.36 H new ATOM 0 HE21 GLN A 38 -7.347 6.391 10.834 1.00 1.29 H new ATOM 0 HE22 GLN A 38 -7.404 7.963 11.638 1.00 1.29 H new ATOM 619 N ALA A 39 -8.448 6.718 4.819 1.00 0.10 N ATOM 620 CA ALA A 39 -7.683 6.533 3.610 1.00 0.12 C ATOM 621 C ALA A 39 -7.899 7.684 2.648 1.00 0.11 C ATOM 622 O ALA A 39 -6.951 8.202 2.067 1.00 0.13 O ATOM 623 CB ALA A 39 -8.034 5.216 2.945 1.00 0.14 C ATOM 0 H ALA A 39 -9.133 5.983 4.994 1.00 0.10 H new ATOM 0 HA ALA A 39 -6.628 6.511 3.884 1.00 0.12 H new ATOM 0 HB1 ALA A 39 -7.445 5.099 2.036 1.00 0.14 H new ATOM 0 HB2 ALA A 39 -7.816 4.394 3.627 1.00 0.14 H new ATOM 0 HB3 ALA A 39 -9.095 5.207 2.694 1.00 0.14 H new ATOM 629 N LEU A 40 -9.153 8.087 2.504 1.00 0.11 N ATOM 630 CA LEU A 40 -9.509 9.214 1.667 1.00 0.12 C ATOM 631 C LEU A 40 -8.759 10.445 2.141 1.00 0.13 C ATOM 632 O LEU A 40 -8.205 11.205 1.346 1.00 0.17 O ATOM 633 CB LEU A 40 -11.017 9.454 1.744 1.00 0.13 C ATOM 634 CG LEU A 40 -11.684 9.813 0.417 1.00 0.37 C ATOM 635 CD1 LEU A 40 -11.302 11.218 -0.026 1.00 0.97 C ATOM 636 CD2 LEU A 40 -11.301 8.808 -0.655 1.00 0.19 C ATOM 0 H LEU A 40 -9.947 7.641 2.964 1.00 0.11 H new ATOM 0 HA LEU A 40 -9.238 9.005 0.632 1.00 0.12 H new ATOM 0 HB2 LEU A 40 -11.492 8.557 2.141 1.00 0.13 H new ATOM 0 HB3 LEU A 40 -11.206 10.257 2.457 1.00 0.13 H new ATOM 0 HG LEU A 40 -12.764 9.783 0.565 1.00 0.37 H new ATOM 0 HD11 LEU A 40 -11.791 11.446 -0.973 1.00 0.97 H new ATOM 0 HD12 LEU A 40 -11.620 11.937 0.729 1.00 0.97 H new ATOM 0 HD13 LEU A 40 -10.221 11.278 -0.152 1.00 0.97 H new ATOM 0 HD21 LEU A 40 -11.784 9.077 -1.595 1.00 0.19 H new ATOM 0 HD22 LEU A 40 -10.219 8.813 -0.788 1.00 0.19 H new ATOM 0 HD23 LEU A 40 -11.625 7.812 -0.353 1.00 0.19 H new ATOM 648 N ASP A 41 -8.727 10.608 3.453 1.00 0.12 N ATOM 649 CA ASP A 41 -8.030 11.712 4.082 1.00 0.13 C ATOM 650 C ASP A 41 -6.552 11.608 3.824 1.00 0.09 C ATOM 651 O ASP A 41 -5.888 12.589 3.530 1.00 0.11 O ATOM 652 CB ASP A 41 -8.231 11.671 5.578 1.00 0.20 C ATOM 653 CG ASP A 41 -8.240 13.052 6.200 1.00 0.72 C ATOM 654 OD1 ASP A 41 -7.154 13.660 6.326 1.00 1.32 O ATOM 655 OD2 ASP A 41 -9.332 13.541 6.567 1.00 0.87 O ATOM 0 H ASP A 41 -9.185 9.977 4.111 1.00 0.12 H new ATOM 0 HA ASP A 41 -8.428 12.638 3.666 1.00 0.13 H new ATOM 0 HB2 ASP A 41 -9.173 11.169 5.801 1.00 0.20 H new ATOM 0 HB3 ASP A 41 -7.438 11.077 6.032 1.00 0.20 H new ATOM 660 N ILE A 42 -6.038 10.406 3.978 1.00 0.10 N ATOM 661 CA ILE A 42 -4.627 10.153 3.774 1.00 0.10 C ATOM 662 C ILE A 42 -4.231 10.502 2.339 1.00 0.10 C ATOM 663 O ILE A 42 -3.217 11.153 2.113 1.00 0.13 O ATOM 664 CB ILE A 42 -4.225 8.685 4.015 1.00 0.12 C ATOM 665 CG1 ILE A 42 -4.852 8.059 5.277 1.00 0.14 C ATOM 666 CG2 ILE A 42 -2.717 8.590 4.076 1.00 0.12 C ATOM 667 CD1 ILE A 42 -4.516 8.733 6.576 1.00 0.12 C ATOM 0 H ILE A 42 -6.580 9.584 4.245 1.00 0.10 H new ATOM 0 HA ILE A 42 -4.110 10.778 4.503 1.00 0.10 H new ATOM 0 HB ILE A 42 -4.618 8.108 3.178 1.00 0.12 H new ATOM 0 HG12 ILE A 42 -5.936 8.058 5.159 1.00 0.14 H new ATOM 0 HG13 ILE A 42 -4.537 7.017 5.338 1.00 0.14 H new ATOM 0 HG21 ILE A 42 -2.424 7.554 4.246 1.00 0.12 H new ATOM 0 HG22 ILE A 42 -2.292 8.937 3.134 1.00 0.12 H new ATOM 0 HG23 ILE A 42 -2.346 9.211 4.892 1.00 0.12 H new ATOM 0 HD11 ILE A 42 -5.010 8.210 7.395 1.00 0.12 H new ATOM 0 HD12 ILE A 42 -3.437 8.711 6.729 1.00 0.12 H new ATOM 0 HD13 ILE A 42 -4.857 9.768 6.548 1.00 0.12 H new ATOM 679 N VAL A 43 -5.028 10.055 1.368 1.00 0.11 N ATOM 680 CA VAL A 43 -4.773 10.396 -0.030 1.00 0.12 C ATOM 681 C VAL A 43 -4.871 11.895 -0.213 1.00 0.12 C ATOM 682 O VAL A 43 -4.073 12.509 -0.892 1.00 0.15 O ATOM 683 CB VAL A 43 -5.768 9.737 -1.010 1.00 0.13 C ATOM 684 CG1 VAL A 43 -5.395 10.077 -2.445 1.00 0.14 C ATOM 685 CG2 VAL A 43 -5.825 8.234 -0.822 1.00 0.15 C ATOM 0 H VAL A 43 -5.845 9.464 1.521 1.00 0.11 H new ATOM 0 HA VAL A 43 -3.774 10.023 -0.257 1.00 0.12 H new ATOM 0 HB VAL A 43 -6.760 10.134 -0.795 1.00 0.13 H new ATOM 0 HG11 VAL A 43 -6.104 9.607 -3.126 1.00 0.14 H new ATOM 0 HG12 VAL A 43 -5.423 11.158 -2.582 1.00 0.14 H new ATOM 0 HG13 VAL A 43 -4.391 9.710 -2.656 1.00 0.14 H new ATOM 0 HG21 VAL A 43 -6.536 7.806 -1.529 1.00 0.15 H new ATOM 0 HG22 VAL A 43 -4.837 7.808 -0.997 1.00 0.15 H new ATOM 0 HG23 VAL A 43 -6.143 8.006 0.195 1.00 0.15 H new ATOM 695 N THR A 44 -5.847 12.477 0.423 1.00 0.12 N ATOM 696 CA THR A 44 -6.089 13.889 0.297 1.00 0.15 C ATOM 697 C THR A 44 -5.026 14.704 1.053 1.00 0.14 C ATOM 698 O THR A 44 -4.815 15.884 0.769 1.00 0.16 O ATOM 699 CB THR A 44 -7.509 14.180 0.804 1.00 0.23 C ATOM 700 OG1 THR A 44 -8.213 15.000 -0.135 1.00 0.39 O ATOM 701 CG2 THR A 44 -7.518 14.846 2.173 1.00 0.19 C ATOM 0 H THR A 44 -6.496 11.990 1.041 1.00 0.12 H new ATOM 0 HA THR A 44 -6.014 14.191 -0.748 1.00 0.15 H new ATOM 0 HB THR A 44 -8.010 13.217 0.906 1.00 0.23 H new ATOM 0 HG1 THR A 44 -9.117 15.177 0.199 1.00 0.39 H new ATOM 0 HG21 THR A 44 -8.547 15.029 2.482 1.00 0.19 H new ATOM 0 HG22 THR A 44 -7.032 14.194 2.898 1.00 0.19 H new ATOM 0 HG23 THR A 44 -6.982 15.793 2.120 1.00 0.19 H new ATOM 709 N LYS A 45 -4.352 14.064 2.012 1.00 0.13 N ATOM 710 CA LYS A 45 -3.323 14.723 2.793 1.00 0.14 C ATOM 711 C LYS A 45 -1.940 14.565 2.139 1.00 0.13 C ATOM 712 O LYS A 45 -1.186 15.532 2.025 1.00 0.15 O ATOM 713 CB LYS A 45 -3.337 14.163 4.230 1.00 0.19 C ATOM 714 CG LYS A 45 -2.363 13.028 4.489 1.00 0.39 C ATOM 715 CD LYS A 45 -2.100 12.811 5.974 1.00 1.12 C ATOM 716 CE LYS A 45 -3.261 12.112 6.674 1.00 1.54 C ATOM 717 NZ LYS A 45 -4.412 13.018 6.940 1.00 2.42 N ATOM 0 H LYS A 45 -4.507 13.087 2.261 1.00 0.13 H new ATOM 0 HA LYS A 45 -3.533 15.792 2.830 1.00 0.14 H new ATOM 0 HB2 LYS A 45 -3.116 14.976 4.922 1.00 0.19 H new ATOM 0 HB3 LYS A 45 -4.345 13.815 4.458 1.00 0.19 H new ATOM 0 HG2 LYS A 45 -2.758 12.109 4.055 1.00 0.39 H new ATOM 0 HG3 LYS A 45 -1.421 13.240 3.984 1.00 0.39 H new ATOM 0 HD2 LYS A 45 -1.194 12.217 6.097 1.00 1.12 H new ATOM 0 HD3 LYS A 45 -1.917 13.773 6.452 1.00 1.12 H new ATOM 0 HE2 LYS A 45 -3.598 11.277 6.060 1.00 1.54 H new ATOM 0 HE3 LYS A 45 -2.910 11.693 7.617 1.00 1.54 H new ATOM 0 HZ1 LYS A 45 -4.743 12.881 7.916 1.00 2.42 H new ATOM 0 HZ2 LYS A 45 -4.113 14.006 6.810 1.00 2.42 H new ATOM 0 HZ3 LYS A 45 -5.185 12.801 6.279 1.00 2.42 H new ATOM 731 N GLU A 46 -1.613 13.345 1.711 1.00 0.13 N ATOM 732 CA GLU A 46 -0.319 13.051 1.113 1.00 0.13 C ATOM 733 C GLU A 46 -0.423 12.749 -0.371 1.00 0.13 C ATOM 734 O GLU A 46 0.443 13.148 -1.149 1.00 0.16 O ATOM 735 CB GLU A 46 0.320 11.864 1.841 1.00 0.13 C ATOM 736 CG GLU A 46 0.932 12.256 3.173 1.00 0.19 C ATOM 737 CD GLU A 46 2.148 13.160 3.020 1.00 0.29 C ATOM 738 OE1 GLU A 46 2.251 13.875 2.000 1.00 0.54 O ATOM 739 OE2 GLU A 46 3.019 13.151 3.909 1.00 0.63 O ATOM 0 H GLU A 46 -2.237 12.540 1.770 1.00 0.13 H new ATOM 0 HA GLU A 46 0.303 13.940 1.218 1.00 0.13 H new ATOM 0 HB2 GLU A 46 -0.434 11.094 2.005 1.00 0.13 H new ATOM 0 HB3 GLU A 46 1.090 11.426 1.207 1.00 0.13 H new ATOM 0 HG2 GLU A 46 0.181 12.764 3.777 1.00 0.19 H new ATOM 0 HG3 GLU A 46 1.220 11.355 3.714 1.00 0.19 H new ATOM 746 N ARG A 47 -1.496 12.069 -0.752 1.00 0.13 N ATOM 747 CA ARG A 47 -1.646 11.523 -2.098 1.00 0.15 C ATOM 748 C ARG A 47 -0.604 10.451 -2.328 1.00 0.12 C ATOM 749 O ARG A 47 0.314 10.630 -3.132 1.00 0.15 O ATOM 750 CB ARG A 47 -1.522 12.605 -3.180 1.00 0.20 C ATOM 751 CG ARG A 47 -2.648 13.621 -3.177 1.00 0.73 C ATOM 752 CD ARG A 47 -2.166 14.969 -3.667 1.00 1.00 C ATOM 753 NE ARG A 47 -1.053 15.452 -2.854 1.00 1.88 N ATOM 754 CZ ARG A 47 -1.176 16.351 -1.878 1.00 2.63 C ATOM 755 NH1 ARG A 47 -2.362 16.885 -1.600 1.00 2.81 N ATOM 756 NH2 ARG A 47 -0.114 16.700 -1.169 1.00 3.66 N ATOM 0 H ARG A 47 -2.288 11.879 -0.138 1.00 0.13 H new ATOM 0 HA ARG A 47 -2.647 11.098 -2.172 1.00 0.15 H new ATOM 0 HB2 ARG A 47 -0.575 13.129 -3.047 1.00 0.20 H new ATOM 0 HB3 ARG A 47 -1.485 12.123 -4.157 1.00 0.20 H new ATOM 0 HG2 ARG A 47 -3.461 13.269 -3.812 1.00 0.73 H new ATOM 0 HG3 ARG A 47 -3.050 13.720 -2.169 1.00 0.73 H new ATOM 0 HD2 ARG A 47 -1.854 14.891 -4.708 1.00 1.00 H new ATOM 0 HD3 ARG A 47 -2.985 15.687 -3.632 1.00 1.00 H new ATOM 0 HE ARG A 47 -0.124 15.078 -3.045 1.00 1.88 H new ATOM 0 HH11 ARG A 47 -3.185 16.607 -2.135 1.00 2.81 H new ATOM 0 HH12 ARG A 47 -2.449 17.573 -0.852 1.00 2.81 H new ATOM 0 HH21 ARG A 47 0.794 16.281 -1.371 1.00 3.66 H new ATOM 0 HH22 ARG A 47 -0.204 17.388 -0.421 1.00 3.66 H new ATOM 770 N PRO A 48 -0.686 9.334 -1.585 1.00 0.11 N ATOM 771 CA PRO A 48 0.229 8.211 -1.783 1.00 0.11 C ATOM 772 C PRO A 48 0.111 7.658 -3.176 1.00 0.12 C ATOM 773 O PRO A 48 -0.903 7.843 -3.836 1.00 0.21 O ATOM 774 CB PRO A 48 -0.245 7.179 -0.759 1.00 0.14 C ATOM 775 CG PRO A 48 -0.884 8.026 0.289 1.00 0.15 C ATOM 776 CD PRO A 48 -1.643 9.063 -0.489 1.00 0.14 C ATOM 0 HA PRO A 48 1.274 8.494 -1.658 1.00 0.11 H new ATOM 0 HB2 PRO A 48 -0.951 6.472 -1.194 1.00 0.14 H new ATOM 0 HB3 PRO A 48 0.584 6.596 -0.358 1.00 0.14 H new ATOM 0 HG2 PRO A 48 -1.548 7.440 0.925 1.00 0.15 H new ATOM 0 HG3 PRO A 48 -0.139 8.483 0.941 1.00 0.15 H new ATOM 0 HD2 PRO A 48 -2.598 8.688 -0.856 1.00 0.14 H new ATOM 0 HD3 PRO A 48 -1.856 9.952 0.104 1.00 0.14 H new ATOM 784 N ASP A 49 1.142 7.002 -3.644 1.00 0.11 N ATOM 785 CA ASP A 49 1.034 6.334 -4.913 1.00 0.14 C ATOM 786 C ASP A 49 0.535 4.933 -4.684 1.00 0.13 C ATOM 787 O ASP A 49 -0.336 4.459 -5.386 1.00 0.19 O ATOM 788 CB ASP A 49 2.359 6.293 -5.658 1.00 0.25 C ATOM 789 CG ASP A 49 2.873 7.666 -6.019 1.00 0.65 C ATOM 790 OD1 ASP A 49 2.493 8.166 -7.100 1.00 0.94 O ATOM 791 OD2 ASP A 49 3.650 8.241 -5.227 1.00 0.98 O ATOM 0 H ASP A 49 2.045 6.917 -3.178 1.00 0.11 H new ATOM 0 HA ASP A 49 0.335 6.895 -5.533 1.00 0.14 H new ATOM 0 HB2 ASP A 49 3.100 5.783 -5.043 1.00 0.25 H new ATOM 0 HB3 ASP A 49 2.241 5.704 -6.568 1.00 0.25 H new ATOM 796 N LEU A 50 1.068 4.296 -3.662 1.00 0.12 N ATOM 797 CA LEU A 50 0.756 2.907 -3.377 1.00 0.12 C ATOM 798 C LEU A 50 -0.072 2.814 -2.106 1.00 0.11 C ATOM 799 O LEU A 50 0.412 3.113 -1.014 1.00 0.12 O ATOM 800 CB LEU A 50 2.042 2.089 -3.225 1.00 0.13 C ATOM 801 CG LEU A 50 2.823 1.817 -4.519 1.00 0.18 C ATOM 802 CD1 LEU A 50 3.647 3.028 -4.926 1.00 0.26 C ATOM 803 CD2 LEU A 50 3.713 0.596 -4.355 1.00 0.20 C ATOM 0 H LEU A 50 1.726 4.721 -3.008 1.00 0.12 H new ATOM 0 HA LEU A 50 0.182 2.500 -4.209 1.00 0.12 H new ATOM 0 HB2 LEU A 50 2.700 2.609 -2.529 1.00 0.13 H new ATOM 0 HB3 LEU A 50 1.789 1.132 -2.769 1.00 0.13 H new ATOM 0 HG LEU A 50 2.103 1.619 -5.313 1.00 0.18 H new ATOM 0 HD11 LEU A 50 4.189 2.807 -5.845 1.00 0.26 H new ATOM 0 HD12 LEU A 50 2.986 3.879 -5.090 1.00 0.26 H new ATOM 0 HD13 LEU A 50 4.357 3.268 -4.135 1.00 0.26 H new ATOM 0 HD21 LEU A 50 4.259 0.417 -5.281 1.00 0.20 H new ATOM 0 HD22 LEU A 50 4.420 0.768 -3.544 1.00 0.20 H new ATOM 0 HD23 LEU A 50 3.098 -0.274 -4.123 1.00 0.20 H new ATOM 815 N VAL A 51 -1.325 2.423 -2.245 1.00 0.10 N ATOM 816 CA VAL A 51 -2.215 2.348 -1.106 1.00 0.10 C ATOM 817 C VAL A 51 -2.581 0.908 -0.807 1.00 0.10 C ATOM 818 O VAL A 51 -3.264 0.265 -1.582 1.00 0.13 O ATOM 819 CB VAL A 51 -3.497 3.155 -1.349 1.00 0.13 C ATOM 820 CG1 VAL A 51 -4.429 3.044 -0.157 1.00 0.21 C ATOM 821 CG2 VAL A 51 -3.155 4.604 -1.640 1.00 0.16 C ATOM 0 H VAL A 51 -1.747 2.153 -3.134 1.00 0.10 H new ATOM 0 HA VAL A 51 -1.687 2.773 -0.252 1.00 0.10 H new ATOM 0 HB VAL A 51 -4.013 2.744 -2.217 1.00 0.13 H new ATOM 0 HG11 VAL A 51 -5.333 3.623 -0.347 1.00 0.21 H new ATOM 0 HG12 VAL A 51 -4.694 1.999 0.002 1.00 0.21 H new ATOM 0 HG13 VAL A 51 -3.931 3.431 0.732 1.00 0.21 H new ATOM 0 HG21 VAL A 51 -4.072 5.167 -1.811 1.00 0.16 H new ATOM 0 HG22 VAL A 51 -2.621 5.029 -0.790 1.00 0.16 H new ATOM 0 HG23 VAL A 51 -2.525 4.658 -2.528 1.00 0.16 H new ATOM 831 N LEU A 52 -2.129 0.406 0.318 1.00 0.11 N ATOM 832 CA LEU A 52 -2.398 -0.965 0.691 1.00 0.11 C ATOM 833 C LEU A 52 -3.759 -1.065 1.350 1.00 0.11 C ATOM 834 O LEU A 52 -3.906 -0.851 2.548 1.00 0.13 O ATOM 835 CB LEU A 52 -1.298 -1.486 1.604 1.00 0.11 C ATOM 836 CG LEU A 52 0.111 -1.275 1.044 1.00 0.12 C ATOM 837 CD1 LEU A 52 0.782 -0.088 1.717 1.00 0.15 C ATOM 838 CD2 LEU A 52 0.951 -2.531 1.209 1.00 0.15 C ATOM 0 H LEU A 52 -1.571 0.928 0.994 1.00 0.11 H new ATOM 0 HA LEU A 52 -2.411 -1.587 -0.204 1.00 0.11 H new ATOM 0 HB2 LEU A 52 -1.374 -0.990 2.571 1.00 0.11 H new ATOM 0 HB3 LEU A 52 -1.455 -2.550 1.779 1.00 0.11 H new ATOM 0 HG LEU A 52 0.026 -1.062 -0.022 1.00 0.12 H new ATOM 0 HD11 LEU A 52 1.782 0.046 1.306 1.00 0.15 H new ATOM 0 HD12 LEU A 52 0.193 0.812 1.539 1.00 0.15 H new ATOM 0 HD13 LEU A 52 0.852 -0.270 2.789 1.00 0.15 H new ATOM 0 HD21 LEU A 52 1.948 -2.358 0.804 1.00 0.15 H new ATOM 0 HD22 LEU A 52 1.028 -2.781 2.267 1.00 0.15 H new ATOM 0 HD23 LEU A 52 0.481 -3.356 0.674 1.00 0.15 H new ATOM 850 N LEU A 53 -4.747 -1.354 0.534 1.00 0.16 N ATOM 851 CA LEU A 53 -6.131 -1.397 0.958 1.00 0.20 C ATOM 852 C LEU A 53 -6.478 -2.745 1.556 1.00 0.20 C ATOM 853 O LEU A 53 -6.651 -3.715 0.828 1.00 0.19 O ATOM 854 CB LEU A 53 -7.024 -1.169 -0.253 1.00 0.30 C ATOM 855 CG LEU A 53 -8.025 -0.041 -0.137 1.00 0.51 C ATOM 856 CD1 LEU A 53 -8.832 -0.193 1.130 1.00 1.53 C ATOM 857 CD2 LEU A 53 -7.339 1.302 -0.189 1.00 0.90 C ATOM 0 H LEU A 53 -4.612 -1.568 -0.454 1.00 0.16 H new ATOM 0 HA LEU A 53 -6.283 -0.625 1.712 1.00 0.20 H new ATOM 0 HB2 LEU A 53 -6.388 -0.976 -1.117 1.00 0.30 H new ATOM 0 HB3 LEU A 53 -7.568 -2.091 -0.457 1.00 0.30 H new ATOM 0 HG LEU A 53 -8.705 -0.092 -0.987 1.00 0.51 H new ATOM 0 HD11 LEU A 53 -9.550 0.624 1.204 1.00 1.53 H new ATOM 0 HD12 LEU A 53 -9.365 -1.144 1.110 1.00 1.53 H new ATOM 0 HD13 LEU A 53 -8.165 -0.169 1.992 1.00 1.53 H new ATOM 0 HD21 LEU A 53 -8.083 2.094 -0.103 1.00 0.90 H new ATOM 0 HD22 LEU A 53 -6.629 1.380 0.635 1.00 0.90 H new ATOM 0 HD23 LEU A 53 -6.809 1.403 -1.136 1.00 0.90 H new ATOM 869 N ASP A 54 -6.595 -2.827 2.861 1.00 0.28 N ATOM 870 CA ASP A 54 -6.973 -4.085 3.466 1.00 0.35 C ATOM 871 C ASP A 54 -8.423 -4.402 3.152 1.00 0.37 C ATOM 872 O ASP A 54 -9.342 -3.749 3.652 1.00 0.63 O ATOM 873 CB ASP A 54 -6.756 -4.093 4.972 1.00 0.59 C ATOM 874 CG ASP A 54 -7.025 -5.464 5.553 1.00 1.03 C ATOM 875 OD1 ASP A 54 -7.148 -6.414 4.756 1.00 1.33 O ATOM 876 OD2 ASP A 54 -7.142 -5.597 6.788 1.00 1.47 O ATOM 0 H ASP A 54 -6.438 -2.058 3.512 1.00 0.28 H new ATOM 0 HA ASP A 54 -6.327 -4.852 3.039 1.00 0.35 H new ATOM 0 HB2 ASP A 54 -5.732 -3.794 5.197 1.00 0.59 H new ATOM 0 HB3 ASP A 54 -7.413 -3.360 5.441 1.00 0.59 H new ATOM 881 N MET A 55 -8.620 -5.399 2.305 1.00 0.23 N ATOM 882 CA MET A 55 -9.960 -5.816 1.928 1.00 0.29 C ATOM 883 C MET A 55 -10.521 -6.825 2.924 1.00 0.35 C ATOM 884 O MET A 55 -11.537 -7.467 2.661 1.00 0.50 O ATOM 885 CB MET A 55 -9.974 -6.424 0.519 1.00 0.30 C ATOM 886 CG MET A 55 -9.456 -5.501 -0.576 1.00 0.32 C ATOM 887 SD MET A 55 -9.952 -6.057 -2.219 1.00 0.70 S ATOM 888 CE MET A 55 -11.720 -6.257 -1.990 1.00 0.94 C ATOM 0 H MET A 55 -7.870 -5.934 1.866 1.00 0.23 H new ATOM 0 HA MET A 55 -10.589 -4.926 1.934 1.00 0.29 H new ATOM 0 HB2 MET A 55 -9.373 -7.333 0.524 1.00 0.30 H new ATOM 0 HB3 MET A 55 -10.995 -6.718 0.275 1.00 0.30 H new ATOM 0 HG2 MET A 55 -9.831 -4.491 -0.406 1.00 0.32 H new ATOM 0 HG3 MET A 55 -8.368 -5.451 -0.523 1.00 0.32 H new ATOM 0 HE1 MET A 55 -12.212 -6.282 -2.962 1.00 0.94 H new ATOM 0 HE2 MET A 55 -11.915 -7.190 -1.461 1.00 0.94 H new ATOM 0 HE3 MET A 55 -12.108 -5.421 -1.408 1.00 0.94 H new ATOM 898 N LYS A 56 -9.850 -6.995 4.054 1.00 0.30 N ATOM 899 CA LYS A 56 -10.339 -7.903 5.080 1.00 0.35 C ATOM 900 C LYS A 56 -11.576 -7.380 5.798 1.00 0.34 C ATOM 901 O LYS A 56 -12.631 -8.014 5.762 1.00 0.44 O ATOM 902 CB LYS A 56 -9.237 -8.223 6.077 1.00 0.34 C ATOM 903 CG LYS A 56 -8.085 -8.973 5.438 1.00 0.46 C ATOM 904 CD LYS A 56 -8.566 -10.237 4.735 1.00 0.59 C ATOM 905 CE LYS A 56 -9.030 -9.972 3.305 1.00 1.26 C ATOM 906 NZ LYS A 56 -10.476 -10.286 3.106 1.00 2.24 N ATOM 0 H LYS A 56 -8.975 -6.522 4.282 1.00 0.30 H new ATOM 0 HA LYS A 56 -10.640 -8.818 4.570 1.00 0.35 H new ATOM 0 HB2 LYS A 56 -8.866 -7.297 6.515 1.00 0.34 H new ATOM 0 HB3 LYS A 56 -9.649 -8.819 6.892 1.00 0.34 H new ATOM 0 HG2 LYS A 56 -7.581 -8.326 4.721 1.00 0.46 H new ATOM 0 HG3 LYS A 56 -7.352 -9.236 6.201 1.00 0.46 H new ATOM 0 HD2 LYS A 56 -7.760 -10.970 4.722 1.00 0.59 H new ATOM 0 HD3 LYS A 56 -9.386 -10.675 5.304 1.00 0.59 H new ATOM 0 HE2 LYS A 56 -8.851 -8.926 3.056 1.00 1.26 H new ATOM 0 HE3 LYS A 56 -8.433 -10.570 2.616 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 -10.572 -11.056 2.414 1.00 2.24 H new ATOM 0 HZ2 LYS A 56 -10.895 -10.580 4.011 1.00 2.24 H new ATOM 0 HZ3 LYS A 56 -10.970 -9.441 2.754 1.00 2.24 H new ATOM 920 N ILE A 57 -11.456 -6.231 6.440 1.00 0.29 N ATOM 921 CA ILE A 57 -12.532 -5.730 7.289 1.00 0.36 C ATOM 922 C ILE A 57 -12.310 -4.296 7.837 1.00 0.30 C ATOM 923 O ILE A 57 -13.297 -3.668 8.215 1.00 0.40 O ATOM 924 CB ILE A 57 -12.799 -6.700 8.473 1.00 0.51 C ATOM 925 CG1 ILE A 57 -14.110 -6.352 9.186 1.00 1.45 C ATOM 926 CG2 ILE A 57 -11.640 -6.687 9.460 1.00 0.90 C ATOM 927 CD1 ILE A 57 -15.332 -6.462 8.301 1.00 2.06 C ATOM 0 H ILE A 57 -10.634 -5.629 6.393 1.00 0.29 H new ATOM 0 HA ILE A 57 -13.402 -5.677 6.634 1.00 0.36 H new ATOM 0 HB ILE A 57 -12.890 -7.705 8.062 1.00 0.51 H new ATOM 0 HG12 ILE A 57 -14.233 -7.013 10.044 1.00 1.45 H new ATOM 0 HG13 ILE A 57 -14.044 -5.335 9.574 1.00 1.45 H new ATOM 0 HG21 ILE A 57 -11.852 -7.374 10.279 1.00 0.90 H new ATOM 0 HG22 ILE A 57 -10.727 -6.998 8.953 1.00 0.90 H new ATOM 0 HG23 ILE A 57 -11.510 -5.680 9.856 1.00 0.90 H new ATOM 0 HD11 ILE A 57 -16.221 -6.201 8.875 1.00 2.06 H new ATOM 0 HD12 ILE A 57 -15.232 -5.781 7.456 1.00 2.06 H new ATOM 0 HD13 ILE A 57 -15.424 -7.484 7.934 1.00 2.06 H new ATOM 939 N PRO A 58 -11.048 -3.747 7.918 1.00 0.29 N ATOM 940 CA PRO A 58 -10.782 -2.394 8.443 1.00 0.31 C ATOM 941 C PRO A 58 -11.918 -1.380 8.297 1.00 0.27 C ATOM 942 O PRO A 58 -12.322 -0.756 9.280 1.00 0.33 O ATOM 943 CB PRO A 58 -9.583 -1.988 7.610 1.00 0.40 C ATOM 944 CG PRO A 58 -8.766 -3.227 7.581 1.00 0.45 C ATOM 945 CD PRO A 58 -9.749 -4.378 7.550 1.00 0.45 C ATOM 0 HA PRO A 58 -10.640 -2.409 9.524 1.00 0.31 H new ATOM 0 HB2 PRO A 58 -9.875 -1.673 6.608 1.00 0.40 H new ATOM 0 HB3 PRO A 58 -9.041 -1.157 8.060 1.00 0.40 H new ATOM 0 HG2 PRO A 58 -8.117 -3.245 6.706 1.00 0.45 H new ATOM 0 HG3 PRO A 58 -8.121 -3.289 8.457 1.00 0.45 H new ATOM 0 HD2 PRO A 58 -9.794 -4.839 6.563 1.00 0.45 H new ATOM 0 HD3 PRO A 58 -9.471 -5.161 8.256 1.00 0.45 H new ATOM 953 N GLY A 59 -12.432 -1.214 7.089 1.00 0.32 N ATOM 954 CA GLY A 59 -13.511 -0.270 6.891 1.00 0.44 C ATOM 955 C GLY A 59 -14.423 -0.652 5.751 1.00 0.40 C ATOM 956 O GLY A 59 -15.623 -0.853 5.943 1.00 0.47 O ATOM 0 H GLY A 59 -12.126 -1.709 6.251 1.00 0.32 H new ATOM 0 HA2 GLY A 59 -14.095 -0.196 7.808 1.00 0.44 H new ATOM 0 HA3 GLY A 59 -13.092 0.718 6.699 1.00 0.44 H new ATOM 960 N MET A 60 -13.856 -0.744 4.565 1.00 0.32 N ATOM 961 CA MET A 60 -14.627 -0.990 3.361 1.00 0.30 C ATOM 962 C MET A 60 -13.775 -1.764 2.364 1.00 0.21 C ATOM 963 O MET A 60 -12.574 -1.932 2.578 1.00 0.18 O ATOM 964 CB MET A 60 -15.099 0.341 2.765 1.00 0.37 C ATOM 965 CG MET A 60 -16.238 0.206 1.769 1.00 0.43 C ATOM 966 SD MET A 60 -16.802 1.802 1.151 1.00 1.82 S ATOM 967 CE MET A 60 -18.174 1.290 0.122 1.00 2.23 C ATOM 0 H MET A 60 -12.852 -0.651 4.408 1.00 0.32 H new ATOM 0 HA MET A 60 -15.508 -1.586 3.601 1.00 0.30 H new ATOM 0 HB2 MET A 60 -15.415 0.998 3.575 1.00 0.37 H new ATOM 0 HB3 MET A 60 -14.256 0.826 2.273 1.00 0.37 H new ATOM 0 HG2 MET A 60 -15.913 -0.411 0.931 1.00 0.43 H new ATOM 0 HG3 MET A 60 -17.072 -0.313 2.242 1.00 0.43 H new ATOM 0 HE1 MET A 60 -18.063 1.721 -0.873 1.00 2.23 H new ATOM 0 HE2 MET A 60 -18.186 0.203 0.047 1.00 2.23 H new ATOM 0 HE3 MET A 60 -19.109 1.634 0.565 1.00 2.23 H new ATOM 977 N ASP A 61 -14.396 -2.240 1.297 1.00 0.21 N ATOM 978 CA ASP A 61 -13.695 -2.949 0.246 1.00 0.18 C ATOM 979 C ASP A 61 -12.602 -2.084 -0.329 1.00 0.14 C ATOM 980 O ASP A 61 -12.815 -0.904 -0.626 1.00 0.17 O ATOM 981 CB ASP A 61 -14.648 -3.294 -0.893 1.00 0.26 C ATOM 982 CG ASP A 61 -15.759 -4.226 -0.477 1.00 0.48 C ATOM 983 OD1 ASP A 61 -16.640 -3.793 0.297 1.00 0.64 O ATOM 984 OD2 ASP A 61 -15.770 -5.378 -0.947 1.00 0.67 O ATOM 0 H ASP A 61 -15.399 -2.144 1.138 1.00 0.21 H new ATOM 0 HA ASP A 61 -13.278 -3.857 0.683 1.00 0.18 H new ATOM 0 HB2 ASP A 61 -15.082 -2.375 -1.286 1.00 0.26 H new ATOM 0 HB3 ASP A 61 -14.083 -3.752 -1.705 1.00 0.26 H new ATOM 989 N GLY A 62 -11.444 -2.686 -0.517 1.00 0.16 N ATOM 990 CA GLY A 62 -10.319 -1.979 -1.071 1.00 0.20 C ATOM 991 C GLY A 62 -10.533 -1.569 -2.503 1.00 0.20 C ATOM 992 O GLY A 62 -9.684 -0.922 -3.092 1.00 0.32 O ATOM 0 H GLY A 62 -11.263 -3.664 -0.292 1.00 0.16 H new ATOM 0 HA2 GLY A 62 -10.122 -1.091 -0.470 1.00 0.20 H new ATOM 0 HA3 GLY A 62 -9.433 -2.610 -1.008 1.00 0.20 H new ATOM 996 N ILE A 63 -11.674 -1.942 -3.052 1.00 0.16 N ATOM 997 CA ILE A 63 -12.026 -1.575 -4.408 1.00 0.17 C ATOM 998 C ILE A 63 -12.818 -0.280 -4.414 1.00 0.18 C ATOM 999 O ILE A 63 -12.611 0.588 -5.259 1.00 0.22 O ATOM 1000 CB ILE A 63 -12.886 -2.661 -5.057 1.00 0.21 C ATOM 1001 CG1 ILE A 63 -12.344 -4.046 -4.730 1.00 0.26 C ATOM 1002 CG2 ILE A 63 -12.947 -2.463 -6.563 1.00 0.30 C ATOM 1003 CD1 ILE A 63 -13.275 -5.156 -5.150 1.00 1.31 C ATOM 0 H ILE A 63 -12.378 -2.504 -2.573 1.00 0.16 H new ATOM 0 HA ILE A 63 -11.099 -1.453 -4.968 1.00 0.17 H new ATOM 0 HB ILE A 63 -13.895 -2.581 -4.653 1.00 0.21 H new ATOM 0 HG12 ILE A 63 -11.382 -4.180 -5.224 1.00 0.26 H new ATOM 0 HG13 ILE A 63 -12.164 -4.116 -3.657 1.00 0.26 H new ATOM 0 HG21 ILE A 63 -13.563 -3.244 -7.008 1.00 0.30 H new ATOM 0 HG22 ILE A 63 -13.382 -1.488 -6.785 1.00 0.30 H new ATOM 0 HG23 ILE A 63 -11.940 -2.514 -6.978 1.00 0.30 H new ATOM 0 HD11 ILE A 63 -12.834 -6.118 -4.891 1.00 1.31 H new ATOM 0 HD12 ILE A 63 -14.230 -5.044 -4.636 1.00 1.31 H new ATOM 0 HD13 ILE A 63 -13.435 -5.109 -6.227 1.00 1.31 H new ATOM 1015 N GLU A 64 -13.739 -0.164 -3.469 1.00 0.15 N ATOM 1016 CA GLU A 64 -14.533 1.043 -3.327 1.00 0.17 C ATOM 1017 C GLU A 64 -13.648 2.174 -2.850 1.00 0.16 C ATOM 1018 O GLU A 64 -13.765 3.319 -3.297 1.00 0.18 O ATOM 1019 CB GLU A 64 -15.679 0.810 -2.346 1.00 0.21 C ATOM 1020 CG GLU A 64 -16.635 -0.283 -2.791 1.00 0.24 C ATOM 1021 CD GLU A 64 -17.307 0.043 -4.107 1.00 0.32 C ATOM 1022 OE1 GLU A 64 -16.650 -0.071 -5.159 1.00 0.43 O ATOM 1023 OE2 GLU A 64 -18.501 0.405 -4.097 1.00 0.47 O ATOM 0 H GLU A 64 -13.954 -0.893 -2.789 1.00 0.15 H new ATOM 0 HA GLU A 64 -14.961 1.309 -4.293 1.00 0.17 H new ATOM 0 HB2 GLU A 64 -15.267 0.549 -1.371 1.00 0.21 H new ATOM 0 HB3 GLU A 64 -16.234 1.739 -2.218 1.00 0.21 H new ATOM 0 HG2 GLU A 64 -16.090 -1.222 -2.887 1.00 0.24 H new ATOM 0 HG3 GLU A 64 -17.395 -0.432 -2.024 1.00 0.24 H new ATOM 1030 N ILE A 65 -12.740 1.836 -1.955 1.00 0.15 N ATOM 1031 CA ILE A 65 -11.778 2.798 -1.459 1.00 0.16 C ATOM 1032 C ILE A 65 -10.759 3.118 -2.548 1.00 0.15 C ATOM 1033 O ILE A 65 -10.324 4.257 -2.689 1.00 0.16 O ATOM 1034 CB ILE A 65 -11.086 2.268 -0.196 1.00 0.19 C ATOM 1035 CG1 ILE A 65 -12.155 1.845 0.814 1.00 0.24 C ATOM 1036 CG2 ILE A 65 -10.172 3.334 0.397 1.00 0.25 C ATOM 1037 CD1 ILE A 65 -11.606 1.103 2.001 1.00 0.69 C ATOM 0 H ILE A 65 -12.649 0.901 -1.557 1.00 0.15 H new ATOM 0 HA ILE A 65 -12.300 3.717 -1.191 1.00 0.16 H new ATOM 0 HB ILE A 65 -10.469 1.406 -0.450 1.00 0.19 H new ATOM 0 HG12 ILE A 65 -12.683 2.732 1.164 1.00 0.24 H new ATOM 0 HG13 ILE A 65 -12.889 1.215 0.311 1.00 0.24 H new ATOM 0 HG21 ILE A 65 -9.689 2.942 1.292 1.00 0.25 H new ATOM 0 HG22 ILE A 65 -9.412 3.610 -0.334 1.00 0.25 H new ATOM 0 HG23 ILE A 65 -10.760 4.214 0.658 1.00 0.25 H new ATOM 0 HD11 ILE A 65 -12.422 0.836 2.672 1.00 0.69 H new ATOM 0 HD12 ILE A 65 -11.103 0.197 1.663 1.00 0.69 H new ATOM 0 HD13 ILE A 65 -10.894 1.737 2.529 1.00 0.69 H new ATOM 1049 N LEU A 66 -10.420 2.105 -3.333 1.00 0.15 N ATOM 1050 CA LEU A 66 -9.581 2.267 -4.516 1.00 0.22 C ATOM 1051 C LEU A 66 -10.144 3.334 -5.425 1.00 0.16 C ATOM 1052 O LEU A 66 -9.454 4.277 -5.780 1.00 0.15 O ATOM 1053 CB LEU A 66 -9.484 0.915 -5.247 1.00 0.43 C ATOM 1054 CG LEU A 66 -8.873 0.882 -6.656 1.00 0.59 C ATOM 1055 CD1 LEU A 66 -8.421 -0.531 -6.974 1.00 0.86 C ATOM 1056 CD2 LEU A 66 -9.877 1.323 -7.712 1.00 1.47 C ATOM 0 H LEU A 66 -10.719 1.144 -3.168 1.00 0.15 H new ATOM 0 HA LEU A 66 -8.583 2.586 -4.216 1.00 0.22 H new ATOM 0 HB2 LEU A 66 -8.903 0.240 -4.619 1.00 0.43 H new ATOM 0 HB3 LEU A 66 -10.490 0.502 -5.313 1.00 0.43 H new ATOM 0 HG LEU A 66 -8.029 1.571 -6.672 1.00 0.59 H new ATOM 0 HD11 LEU A 66 -7.987 -0.558 -7.973 1.00 0.86 H new ATOM 0 HD12 LEU A 66 -7.674 -0.847 -6.245 1.00 0.86 H new ATOM 0 HD13 LEU A 66 -9.277 -1.205 -6.932 1.00 0.86 H new ATOM 0 HD21 LEU A 66 -9.410 1.287 -8.696 1.00 1.47 H new ATOM 0 HD22 LEU A 66 -10.739 0.656 -7.695 1.00 1.47 H new ATOM 0 HD23 LEU A 66 -10.202 2.342 -7.502 1.00 1.47 H new ATOM 1068 N LYS A 67 -11.399 3.200 -5.782 1.00 0.17 N ATOM 1069 CA LYS A 67 -11.969 4.077 -6.773 1.00 0.17 C ATOM 1070 C LYS A 67 -12.204 5.473 -6.231 1.00 0.14 C ATOM 1071 O LYS A 67 -12.144 6.440 -6.982 1.00 0.15 O ATOM 1072 CB LYS A 67 -13.250 3.498 -7.336 1.00 0.22 C ATOM 1073 CG LYS A 67 -14.211 3.025 -6.274 1.00 0.19 C ATOM 1074 CD LYS A 67 -15.513 2.576 -6.907 1.00 0.27 C ATOM 1075 CE LYS A 67 -15.277 1.444 -7.897 1.00 0.42 C ATOM 1076 NZ LYS A 67 -15.065 0.143 -7.213 1.00 0.65 N ATOM 0 H LYS A 67 -12.038 2.500 -5.405 1.00 0.17 H new ATOM 0 HA LYS A 67 -11.243 4.161 -7.581 1.00 0.17 H new ATOM 0 HB2 LYS A 67 -13.742 4.252 -7.950 1.00 0.22 H new ATOM 0 HB3 LYS A 67 -13.005 2.663 -7.992 1.00 0.22 H new ATOM 0 HG2 LYS A 67 -13.768 2.202 -5.713 1.00 0.19 H new ATOM 0 HG3 LYS A 67 -14.402 3.828 -5.563 1.00 0.19 H new ATOM 0 HD2 LYS A 67 -16.204 2.247 -6.131 1.00 0.27 H new ATOM 0 HD3 LYS A 67 -15.983 3.417 -7.416 1.00 0.27 H new ATOM 0 HE2 LYS A 67 -16.132 1.366 -8.569 1.00 0.42 H new ATOM 0 HE3 LYS A 67 -14.408 1.676 -8.513 1.00 0.42 H new ATOM 0 HZ1 LYS A 67 -14.858 -0.591 -7.920 1.00 0.65 H new ATOM 0 HZ2 LYS A 67 -14.265 0.224 -6.553 1.00 0.65 H new ATOM 0 HZ3 LYS A 67 -15.924 -0.116 -6.686 1.00 0.65 H new ATOM 1090 N ARG A 68 -12.472 5.603 -4.940 1.00 0.13 N ATOM 1091 CA ARG A 68 -12.575 6.939 -4.374 1.00 0.14 C ATOM 1092 C ARG A 68 -11.209 7.633 -4.348 1.00 0.12 C ATOM 1093 O ARG A 68 -11.123 8.845 -4.567 1.00 0.15 O ATOM 1094 CB ARG A 68 -13.245 6.936 -2.995 1.00 0.16 C ATOM 1095 CG ARG A 68 -12.668 5.935 -2.030 1.00 0.25 C ATOM 1096 CD ARG A 68 -13.581 5.727 -0.838 1.00 0.37 C ATOM 1097 NE ARG A 68 -14.902 5.237 -1.239 1.00 1.18 N ATOM 1098 CZ ARG A 68 -15.970 5.222 -0.439 1.00 1.28 C ATOM 1099 NH1 ARG A 68 -15.915 5.771 0.768 1.00 0.98 N ATOM 1100 NH2 ARG A 68 -17.114 4.696 -0.862 1.00 2.18 N ATOM 0 H ARG A 68 -12.617 4.833 -4.287 1.00 0.13 H new ATOM 0 HA ARG A 68 -13.226 7.519 -5.028 1.00 0.14 H new ATOM 0 HB2 ARG A 68 -13.161 7.932 -2.561 1.00 0.16 H new ATOM 0 HB3 ARG A 68 -14.308 6.731 -3.121 1.00 0.16 H new ATOM 0 HG2 ARG A 68 -12.511 4.985 -2.540 1.00 0.25 H new ATOM 0 HG3 ARG A 68 -11.692 6.278 -1.687 1.00 0.25 H new ATOM 0 HD2 ARG A 68 -13.124 5.016 -0.150 1.00 0.37 H new ATOM 0 HD3 ARG A 68 -13.691 6.667 -0.297 1.00 0.37 H new ATOM 0 HE ARG A 68 -15.012 4.885 -2.190 1.00 1.18 H new ATOM 0 HH11 ARG A 68 -15.052 6.209 1.090 1.00 0.98 H new ATOM 0 HH12 ARG A 68 -16.736 5.755 1.373 1.00 0.98 H new ATOM 0 HH21 ARG A 68 -17.178 4.302 -1.801 1.00 2.18 H new ATOM 0 HH22 ARG A 68 -17.929 4.686 -0.248 1.00 2.18 H new ATOM 1114 N MET A 69 -10.125 6.888 -4.147 1.00 0.11 N ATOM 1115 CA MET A 69 -8.820 7.509 -4.246 1.00 0.12 C ATOM 1116 C MET A 69 -8.417 7.624 -5.697 1.00 0.10 C ATOM 1117 O MET A 69 -7.552 8.404 -6.040 1.00 0.12 O ATOM 1118 CB MET A 69 -7.741 6.788 -3.446 1.00 0.15 C ATOM 1119 CG MET A 69 -7.777 5.284 -3.551 1.00 0.25 C ATOM 1120 SD MET A 69 -6.183 4.541 -3.201 1.00 0.33 S ATOM 1121 CE MET A 69 -6.627 2.819 -3.184 1.00 1.28 C ATOM 0 H MET A 69 -10.126 5.893 -3.923 1.00 0.11 H new ATOM 0 HA MET A 69 -8.909 8.501 -3.804 1.00 0.12 H new ATOM 0 HB2 MET A 69 -6.765 7.139 -3.781 1.00 0.15 H new ATOM 0 HB3 MET A 69 -7.838 7.068 -2.397 1.00 0.15 H new ATOM 0 HG2 MET A 69 -8.519 4.891 -2.856 1.00 0.25 H new ATOM 0 HG3 MET A 69 -8.096 4.999 -4.554 1.00 0.25 H new ATOM 0 HE1 MET A 69 -5.790 2.231 -2.806 1.00 1.28 H new ATOM 0 HE2 MET A 69 -7.493 2.673 -2.539 1.00 1.28 H new ATOM 0 HE3 MET A 69 -6.870 2.496 -4.196 1.00 1.28 H new ATOM 1131 N LYS A 70 -9.080 6.857 -6.539 1.00 0.08 N ATOM 1132 CA LYS A 70 -8.878 6.934 -7.972 1.00 0.10 C ATOM 1133 C LYS A 70 -9.584 8.158 -8.548 1.00 0.13 C ATOM 1134 O LYS A 70 -9.167 8.721 -9.554 1.00 0.23 O ATOM 1135 CB LYS A 70 -9.433 5.695 -8.645 1.00 0.14 C ATOM 1136 CG LYS A 70 -8.364 4.811 -9.217 1.00 0.17 C ATOM 1137 CD LYS A 70 -7.635 4.056 -8.160 1.00 0.41 C ATOM 1138 CE LYS A 70 -6.963 2.873 -8.800 1.00 0.33 C ATOM 1139 NZ LYS A 70 -5.898 3.288 -9.757 1.00 1.30 N ATOM 0 H LYS A 70 -9.772 6.165 -6.251 1.00 0.08 H new ATOM 0 HA LYS A 70 -7.807 7.010 -8.157 1.00 0.10 H new ATOM 0 HB2 LYS A 70 -10.019 5.127 -7.922 1.00 0.14 H new ATOM 0 HB3 LYS A 70 -10.114 5.995 -9.442 1.00 0.14 H new ATOM 0 HG2 LYS A 70 -8.813 4.108 -9.919 1.00 0.17 H new ATOM 0 HG3 LYS A 70 -7.656 5.418 -9.782 1.00 0.17 H new ATOM 0 HD2 LYS A 70 -6.897 4.696 -7.677 1.00 0.41 H new ATOM 0 HD3 LYS A 70 -8.326 3.726 -7.385 1.00 0.41 H new ATOM 0 HE2 LYS A 70 -6.529 2.240 -8.026 1.00 0.33 H new ATOM 0 HE3 LYS A 70 -7.707 2.272 -9.323 1.00 0.33 H new ATOM 0 HZ1 LYS A 70 -5.246 2.494 -9.916 1.00 1.30 H new ATOM 0 HZ2 LYS A 70 -6.332 3.566 -10.660 1.00 1.30 H new ATOM 0 HZ3 LYS A 70 -5.372 4.094 -9.363 1.00 1.30 H new ATOM 1153 N VAL A 71 -10.680 8.551 -7.916 1.00 0.13 N ATOM 1154 CA VAL A 71 -11.460 9.680 -8.391 1.00 0.18 C ATOM 1155 C VAL A 71 -10.780 10.969 -7.989 1.00 0.15 C ATOM 1156 O VAL A 71 -10.801 11.958 -8.724 1.00 0.16 O ATOM 1157 CB VAL A 71 -12.905 9.633 -7.848 1.00 0.26 C ATOM 1158 CG1 VAL A 71 -12.999 10.119 -6.415 1.00 0.87 C ATOM 1159 CG2 VAL A 71 -13.857 10.401 -8.755 1.00 1.03 C ATOM 0 H VAL A 71 -11.047 8.105 -7.075 1.00 0.13 H new ATOM 0 HA VAL A 71 -11.519 9.629 -9.478 1.00 0.18 H new ATOM 0 HB VAL A 71 -13.209 8.586 -7.846 1.00 0.26 H new ATOM 0 HG11 VAL A 71 -14.035 10.066 -6.080 1.00 0.87 H new ATOM 0 HG12 VAL A 71 -12.379 9.490 -5.776 1.00 0.87 H new ATOM 0 HG13 VAL A 71 -12.651 11.150 -6.357 1.00 0.87 H new ATOM 0 HG21 VAL A 71 -14.867 10.351 -8.348 1.00 1.03 H new ATOM 0 HG22 VAL A 71 -13.541 11.443 -8.815 1.00 1.03 H new ATOM 0 HG23 VAL A 71 -13.845 9.960 -9.752 1.00 1.03 H new ATOM 1169 N ILE A 72 -10.164 10.941 -6.819 1.00 0.13 N ATOM 1170 CA ILE A 72 -9.352 12.063 -6.375 1.00 0.14 C ATOM 1171 C ILE A 72 -7.962 11.989 -7.012 1.00 0.15 C ATOM 1172 O ILE A 72 -7.359 13.020 -7.311 1.00 0.26 O ATOM 1173 CB ILE A 72 -9.253 12.146 -4.827 1.00 0.16 C ATOM 1174 CG1 ILE A 72 -8.694 10.853 -4.236 1.00 0.13 C ATOM 1175 CG2 ILE A 72 -10.621 12.452 -4.224 1.00 0.22 C ATOM 1176 CD1 ILE A 72 -8.687 10.834 -2.722 1.00 0.14 C ATOM 0 H ILE A 72 -10.209 10.161 -6.164 1.00 0.13 H new ATOM 0 HA ILE A 72 -9.846 12.978 -6.703 1.00 0.14 H new ATOM 0 HB ILE A 72 -8.566 12.955 -4.579 1.00 0.16 H new ATOM 0 HG12 ILE A 72 -9.285 10.012 -4.599 1.00 0.13 H new ATOM 0 HG13 ILE A 72 -7.676 10.708 -4.598 1.00 0.13 H new ATOM 0 HG21 ILE A 72 -10.536 12.507 -3.139 1.00 0.22 H new ATOM 0 HG22 ILE A 72 -10.983 13.405 -4.609 1.00 0.22 H new ATOM 0 HG23 ILE A 72 -11.322 11.662 -4.493 1.00 0.22 H new ATOM 0 HD11 ILE A 72 -8.277 9.887 -2.372 1.00 0.14 H new ATOM 0 HD12 ILE A 72 -8.073 11.654 -2.351 1.00 0.14 H new ATOM 0 HD13 ILE A 72 -9.706 10.948 -2.352 1.00 0.14 H new ATOM 1188 N ASP A 73 -7.484 10.764 -7.257 1.00 0.11 N ATOM 1189 CA ASP A 73 -6.172 10.536 -7.873 1.00 0.12 C ATOM 1190 C ASP A 73 -6.072 9.164 -8.534 1.00 0.13 C ATOM 1191 O ASP A 73 -5.649 8.206 -7.909 1.00 0.17 O ATOM 1192 CB ASP A 73 -5.051 10.632 -6.831 1.00 0.20 C ATOM 1193 CG ASP A 73 -4.544 12.043 -6.605 1.00 0.61 C ATOM 1194 OD1 ASP A 73 -3.827 12.571 -7.483 1.00 0.76 O ATOM 1195 OD2 ASP A 73 -4.855 12.631 -5.546 1.00 1.08 O ATOM 0 H ASP A 73 -7.992 9.908 -7.036 1.00 0.11 H new ATOM 0 HA ASP A 73 -6.061 11.311 -8.631 1.00 0.12 H new ATOM 0 HB2 ASP A 73 -5.412 10.230 -5.884 1.00 0.20 H new ATOM 0 HB3 ASP A 73 -4.219 10.003 -7.148 1.00 0.20 H new ATOM 1200 N GLU A 74 -6.407 9.065 -9.808 1.00 0.13 N ATOM 1201 CA GLU A 74 -6.241 7.798 -10.532 1.00 0.16 C ATOM 1202 C GLU A 74 -4.766 7.552 -10.808 1.00 0.18 C ATOM 1203 O GLU A 74 -4.378 6.570 -11.441 1.00 0.24 O ATOM 1204 CB GLU A 74 -7.019 7.780 -11.838 1.00 0.18 C ATOM 1205 CG GLU A 74 -8.090 6.709 -11.878 1.00 0.52 C ATOM 1206 CD GLU A 74 -7.574 5.406 -12.457 1.00 1.26 C ATOM 1207 OE1 GLU A 74 -6.816 4.699 -11.759 1.00 1.67 O ATOM 1208 OE2 GLU A 74 -7.922 5.076 -13.609 1.00 1.78 O ATOM 0 H GLU A 74 -6.791 9.829 -10.364 1.00 0.13 H new ATOM 0 HA GLU A 74 -6.639 7.004 -9.901 1.00 0.16 H new ATOM 0 HB2 GLU A 74 -7.483 8.755 -11.991 1.00 0.18 H new ATOM 0 HB3 GLU A 74 -6.326 7.623 -12.665 1.00 0.18 H new ATOM 0 HG2 GLU A 74 -8.464 6.534 -10.869 1.00 0.52 H new ATOM 0 HG3 GLU A 74 -8.932 7.061 -12.474 1.00 0.52 H new ATOM 1215 N ASN A 75 -3.956 8.466 -10.303 1.00 0.17 N ATOM 1216 CA ASN A 75 -2.517 8.316 -10.302 1.00 0.21 C ATOM 1217 C ASN A 75 -2.176 7.219 -9.331 1.00 0.20 C ATOM 1218 O ASN A 75 -1.171 6.518 -9.449 1.00 0.27 O ATOM 1219 CB ASN A 75 -1.864 9.625 -9.854 1.00 0.24 C ATOM 1220 CG ASN A 75 -0.512 9.417 -9.194 1.00 0.26 C ATOM 1221 OD1 ASN A 75 0.522 9.421 -9.860 1.00 0.35 O ATOM 1222 ND2 ASN A 75 -0.518 9.242 -7.874 1.00 0.22 N ATOM 0 H ASN A 75 -4.282 9.335 -9.881 1.00 0.17 H new ATOM 0 HA ASN A 75 -2.154 8.071 -11.300 1.00 0.21 H new ATOM 0 HB2 ASN A 75 -1.744 10.279 -10.718 1.00 0.24 H new ATOM 0 HB3 ASN A 75 -2.528 10.136 -9.157 1.00 0.24 H new ATOM 0 HD21 ASN A 75 0.360 9.104 -7.374 1.00 0.22 H new ATOM 0 HD22 ASN A 75 -1.401 9.246 -7.363 1.00 0.22 H new ATOM 1229 N ILE A 76 -3.080 7.075 -8.390 1.00 0.16 N ATOM 1230 CA ILE A 76 -2.891 6.225 -7.255 1.00 0.16 C ATOM 1231 C ILE A 76 -3.069 4.778 -7.636 1.00 0.17 C ATOM 1232 O ILE A 76 -3.731 4.446 -8.624 1.00 0.21 O ATOM 1233 CB ILE A 76 -3.891 6.607 -6.152 1.00 0.16 C ATOM 1234 CG1 ILE A 76 -3.269 6.472 -4.782 1.00 0.16 C ATOM 1235 CG2 ILE A 76 -5.179 5.775 -6.215 1.00 0.18 C ATOM 1236 CD1 ILE A 76 -4.054 7.221 -3.739 1.00 0.19 C ATOM 0 H ILE A 76 -3.979 7.556 -8.399 1.00 0.16 H new ATOM 0 HA ILE A 76 -1.875 6.358 -6.884 1.00 0.16 H new ATOM 0 HB ILE A 76 -4.155 7.650 -6.328 1.00 0.16 H new ATOM 0 HG12 ILE A 76 -3.214 5.418 -4.509 1.00 0.16 H new ATOM 0 HG13 ILE A 76 -2.246 6.848 -4.808 1.00 0.16 H new ATOM 0 HG21 ILE A 76 -5.851 6.084 -5.415 1.00 0.18 H new ATOM 0 HG22 ILE A 76 -5.666 5.930 -7.178 1.00 0.18 H new ATOM 0 HG23 ILE A 76 -4.936 4.719 -6.097 1.00 0.18 H new ATOM 0 HD11 ILE A 76 -3.576 7.100 -2.767 1.00 0.19 H new ATOM 0 HD12 ILE A 76 -4.086 8.279 -3.998 1.00 0.19 H new ATOM 0 HD13 ILE A 76 -5.069 6.827 -3.695 1.00 0.19 H new ATOM 1248 N ARG A 77 -2.482 3.925 -6.849 1.00 0.15 N ATOM 1249 CA ARG A 77 -2.614 2.519 -7.047 1.00 0.15 C ATOM 1250 C ARG A 77 -2.813 1.861 -5.706 1.00 0.14 C ATOM 1251 O ARG A 77 -2.683 2.505 -4.669 1.00 0.16 O ATOM 1252 CB ARG A 77 -1.383 1.963 -7.738 1.00 0.16 C ATOM 1253 CG ARG A 77 -0.115 2.116 -6.933 1.00 0.17 C ATOM 1254 CD ARG A 77 1.041 2.433 -7.845 1.00 0.28 C ATOM 1255 NE ARG A 77 1.345 3.864 -7.873 1.00 0.55 N ATOM 1256 CZ ARG A 77 1.477 4.584 -8.989 1.00 0.65 C ATOM 1257 NH1 ARG A 77 1.319 4.017 -10.177 1.00 0.96 N ATOM 1258 NH2 ARG A 77 1.770 5.878 -8.916 1.00 1.08 N ATOM 0 H ARG A 77 -1.900 4.188 -6.054 1.00 0.15 H new ATOM 0 HA ARG A 77 -3.474 2.315 -7.685 1.00 0.15 H new ATOM 0 HB2 ARG A 77 -1.543 0.906 -7.951 1.00 0.16 H new ATOM 0 HB3 ARG A 77 -1.257 2.466 -8.697 1.00 0.16 H new ATOM 0 HG2 ARG A 77 -0.236 2.910 -6.197 1.00 0.17 H new ATOM 0 HG3 ARG A 77 0.088 1.198 -6.381 1.00 0.17 H new ATOM 0 HD2 ARG A 77 1.922 1.882 -7.517 1.00 0.28 H new ATOM 0 HD3 ARG A 77 0.810 2.092 -8.854 1.00 0.28 H new ATOM 0 HE ARG A 77 1.464 4.343 -6.980 1.00 0.55 H new ATOM 0 HH11 ARG A 77 1.095 3.024 -10.242 1.00 0.96 H new ATOM 0 HH12 ARG A 77 1.421 4.574 -11.025 1.00 0.96 H new ATOM 0 HH21 ARG A 77 1.894 6.322 -8.006 1.00 1.08 H new ATOM 0 HH22 ARG A 77 1.871 6.427 -9.770 1.00 1.08 H new ATOM 1272 N VAL A 78 -3.104 0.584 -5.713 1.00 0.14 N ATOM 1273 CA VAL A 78 -3.496 -0.079 -4.491 1.00 0.15 C ATOM 1274 C VAL A 78 -2.717 -1.359 -4.305 1.00 0.16 C ATOM 1275 O VAL A 78 -2.229 -1.951 -5.258 1.00 0.31 O ATOM 1276 CB VAL A 78 -5.003 -0.418 -4.522 1.00 0.30 C ATOM 1277 CG1 VAL A 78 -5.613 -0.362 -3.141 1.00 0.79 C ATOM 1278 CG2 VAL A 78 -5.731 0.506 -5.478 1.00 0.43 C ATOM 0 H VAL A 78 -3.078 -0.013 -6.540 1.00 0.14 H new ATOM 0 HA VAL A 78 -3.286 0.599 -3.663 1.00 0.15 H new ATOM 0 HB VAL A 78 -5.111 -1.442 -4.881 1.00 0.30 H new ATOM 0 HG11 VAL A 78 -6.674 -0.606 -3.202 1.00 0.79 H new ATOM 0 HG12 VAL A 78 -5.112 -1.081 -2.492 1.00 0.79 H new ATOM 0 HG13 VAL A 78 -5.494 0.641 -2.731 1.00 0.79 H new ATOM 0 HG21 VAL A 78 -6.792 0.255 -5.489 1.00 0.43 H new ATOM 0 HG22 VAL A 78 -5.606 1.539 -5.152 1.00 0.43 H new ATOM 0 HG23 VAL A 78 -5.320 0.389 -6.481 1.00 0.43 H new ATOM 1288 N ILE A 79 -2.584 -1.753 -3.072 1.00 0.10 N ATOM 1289 CA ILE A 79 -2.033 -3.035 -2.730 1.00 0.09 C ATOM 1290 C ILE A 79 -3.003 -3.706 -1.779 1.00 0.09 C ATOM 1291 O ILE A 79 -2.752 -3.812 -0.579 1.00 0.11 O ATOM 1292 CB ILE A 79 -0.647 -2.892 -2.071 1.00 0.11 C ATOM 1293 CG1 ILE A 79 0.312 -2.121 -2.992 1.00 0.15 C ATOM 1294 CG2 ILE A 79 -0.066 -4.259 -1.722 1.00 0.15 C ATOM 1295 CD1 ILE A 79 1.685 -1.902 -2.395 1.00 0.60 C ATOM 0 H ILE A 79 -2.857 -1.189 -2.267 1.00 0.10 H new ATOM 0 HA ILE A 79 -1.896 -3.633 -3.631 1.00 0.09 H new ATOM 0 HB ILE A 79 -0.769 -2.328 -1.146 1.00 0.11 H new ATOM 0 HG12 ILE A 79 0.416 -2.665 -3.931 1.00 0.15 H new ATOM 0 HG13 ILE A 79 -0.129 -1.153 -3.232 1.00 0.15 H new ATOM 0 HG21 ILE A 79 0.912 -4.131 -1.258 1.00 0.15 H new ATOM 0 HG22 ILE A 79 -0.732 -4.771 -1.028 1.00 0.15 H new ATOM 0 HG23 ILE A 79 0.038 -4.853 -2.630 1.00 0.15 H new ATOM 0 HD11 ILE A 79 2.306 -1.352 -3.102 1.00 0.60 H new ATOM 0 HD12 ILE A 79 1.593 -1.330 -1.471 1.00 0.60 H new ATOM 0 HD13 ILE A 79 2.147 -2.866 -2.181 1.00 0.60 H new ATOM 1307 N ILE A 80 -4.161 -4.066 -2.306 1.00 0.09 N ATOM 1308 CA ILE A 80 -5.234 -4.561 -1.450 1.00 0.10 C ATOM 1309 C ILE A 80 -4.859 -5.880 -0.779 1.00 0.12 C ATOM 1310 O ILE A 80 -4.211 -6.741 -1.372 1.00 0.14 O ATOM 1311 CB ILE A 80 -6.612 -4.692 -2.166 1.00 0.12 C ATOM 1312 CG1 ILE A 80 -6.666 -5.925 -3.084 1.00 0.13 C ATOM 1313 CG2 ILE A 80 -6.909 -3.432 -2.967 1.00 0.12 C ATOM 1314 CD1 ILE A 80 -5.842 -5.802 -4.350 1.00 0.13 C ATOM 0 H ILE A 80 -4.383 -4.028 -3.301 1.00 0.09 H new ATOM 0 HA ILE A 80 -5.356 -3.794 -0.686 1.00 0.10 H new ATOM 0 HB ILE A 80 -7.372 -4.820 -1.395 1.00 0.12 H new ATOM 0 HG12 ILE A 80 -6.321 -6.794 -2.524 1.00 0.13 H new ATOM 0 HG13 ILE A 80 -7.704 -6.113 -3.358 1.00 0.13 H new ATOM 0 HG21 ILE A 80 -7.874 -3.535 -3.463 1.00 0.12 H new ATOM 0 HG22 ILE A 80 -6.935 -2.573 -2.297 1.00 0.12 H new ATOM 0 HG23 ILE A 80 -6.130 -3.285 -3.716 1.00 0.12 H new ATOM 0 HD11 ILE A 80 -5.938 -6.715 -4.937 1.00 0.13 H new ATOM 0 HD12 ILE A 80 -6.199 -4.955 -4.936 1.00 0.13 H new ATOM 0 HD13 ILE A 80 -4.795 -5.647 -4.089 1.00 0.13 H new ATOM 1326 N MET A 81 -5.250 -6.000 0.478 1.00 0.15 N ATOM 1327 CA MET A 81 -4.953 -7.179 1.281 1.00 0.21 C ATOM 1328 C MET A 81 -6.097 -8.168 1.193 1.00 0.20 C ATOM 1329 O MET A 81 -7.261 -7.799 1.354 1.00 0.36 O ATOM 1330 CB MET A 81 -4.731 -6.804 2.743 1.00 0.31 C ATOM 1331 CG MET A 81 -4.030 -5.472 2.941 1.00 0.43 C ATOM 1332 SD MET A 81 -3.506 -5.205 4.644 1.00 0.80 S ATOM 1333 CE MET A 81 -2.939 -3.511 4.558 1.00 1.88 C ATOM 0 H MET A 81 -5.782 -5.284 0.973 1.00 0.15 H new ATOM 0 HA MET A 81 -4.041 -7.630 0.890 1.00 0.21 H new ATOM 0 HB2 MET A 81 -5.696 -6.774 3.250 1.00 0.31 H new ATOM 0 HB3 MET A 81 -4.143 -7.587 3.223 1.00 0.31 H new ATOM 0 HG2 MET A 81 -3.160 -5.424 2.286 1.00 0.43 H new ATOM 0 HG3 MET A 81 -4.700 -4.666 2.641 1.00 0.43 H new ATOM 0 HE1 MET A 81 -2.218 -3.328 5.355 1.00 1.88 H new ATOM 0 HE2 MET A 81 -2.465 -3.335 3.592 1.00 1.88 H new ATOM 0 HE3 MET A 81 -3.788 -2.837 4.674 1.00 1.88 H new ATOM 1343 N THR A 82 -5.779 -9.420 0.926 1.00 0.25 N ATOM 1344 CA THR A 82 -6.803 -10.432 0.786 1.00 0.30 C ATOM 1345 C THR A 82 -6.486 -11.691 1.564 1.00 0.31 C ATOM 1346 O THR A 82 -5.333 -11.969 1.888 1.00 0.35 O ATOM 1347 CB THR A 82 -7.046 -10.776 -0.685 1.00 0.47 C ATOM 1348 OG1 THR A 82 -7.981 -11.860 -0.797 1.00 1.13 O ATOM 1349 CG2 THR A 82 -5.747 -11.124 -1.393 1.00 0.91 C ATOM 0 H THR A 82 -4.824 -9.758 0.803 1.00 0.25 H new ATOM 0 HA THR A 82 -7.713 -10.004 1.207 1.00 0.30 H new ATOM 0 HB THR A 82 -7.467 -9.895 -1.170 1.00 0.47 H new ATOM 0 HG1 THR A 82 -8.765 -11.675 -0.238 1.00 1.13 H new ATOM 0 HG21 THR A 82 -5.954 -11.363 -2.436 1.00 0.91 H new ATOM 0 HG22 THR A 82 -5.067 -10.274 -1.344 1.00 0.91 H new ATOM 0 HG23 THR A 82 -5.287 -11.985 -0.907 1.00 0.91 H new ATOM 1357 N ALA A 83 -7.541 -12.433 1.874 1.00 0.33 N ATOM 1358 CA ALA A 83 -7.414 -13.768 2.429 1.00 0.40 C ATOM 1359 C ALA A 83 -6.936 -14.736 1.346 1.00 0.45 C ATOM 1360 O ALA A 83 -7.656 -15.646 0.936 1.00 0.54 O ATOM 1361 CB ALA A 83 -8.740 -14.222 3.020 1.00 0.47 C ATOM 0 H ALA A 83 -8.505 -12.125 1.747 1.00 0.33 H new ATOM 0 HA ALA A 83 -6.676 -13.755 3.231 1.00 0.40 H new ATOM 0 HB1 ALA A 83 -8.630 -15.225 3.433 1.00 0.47 H new ATOM 0 HB2 ALA A 83 -9.040 -13.535 3.811 1.00 0.47 H new ATOM 0 HB3 ALA A 83 -9.502 -14.232 2.240 1.00 0.47 H new ATOM 1367 N TYR A 84 -5.727 -14.468 0.859 1.00 0.45 N ATOM 1368 CA TYR A 84 -5.052 -15.279 -0.152 1.00 0.55 C ATOM 1369 C TYR A 84 -5.718 -15.153 -1.530 1.00 0.56 C ATOM 1370 O TYR A 84 -5.393 -15.883 -2.470 1.00 0.77 O ATOM 1371 CB TYR A 84 -4.969 -16.747 0.306 1.00 0.69 C ATOM 1372 CG TYR A 84 -4.055 -17.616 -0.529 1.00 1.26 C ATOM 1373 CD1 TYR A 84 -2.681 -17.402 -0.543 1.00 1.92 C ATOM 1374 CD2 TYR A 84 -4.564 -18.653 -1.299 1.00 2.03 C ATOM 1375 CE1 TYR A 84 -1.843 -18.198 -1.298 1.00 2.83 C ATOM 1376 CE2 TYR A 84 -3.731 -19.451 -2.058 1.00 2.97 C ATOM 1377 CZ TYR A 84 -2.376 -19.205 -2.076 1.00 3.26 C ATOM 1378 OH TYR A 84 -1.539 -20.017 -2.809 1.00 4.30 O ATOM 0 H TYR A 84 -5.177 -13.664 1.162 1.00 0.45 H new ATOM 0 HA TYR A 84 -4.037 -14.898 -0.263 1.00 0.55 H new ATOM 0 HB2 TYR A 84 -4.627 -16.772 1.341 1.00 0.69 H new ATOM 0 HB3 TYR A 84 -5.971 -17.176 0.290 1.00 0.69 H new ATOM 0 HD1 TYR A 84 -2.263 -16.600 0.047 1.00 1.92 H new ATOM 0 HD2 TYR A 84 -5.628 -18.838 -1.304 1.00 2.03 H new ATOM 0 HE1 TYR A 84 -0.776 -18.033 -1.280 1.00 2.83 H new ATOM 0 HE2 TYR A 84 -4.141 -20.266 -2.636 1.00 2.97 H new ATOM 0 HH TYR A 84 -2.071 -20.676 -3.301 1.00 4.30 H new ATOM 1388 N GLY A 85 -6.616 -14.193 -1.661 1.00 0.52 N ATOM 1389 CA GLY A 85 -7.262 -13.945 -2.929 1.00 0.56 C ATOM 1390 C GLY A 85 -8.606 -14.621 -3.020 1.00 0.55 C ATOM 1391 O GLY A 85 -8.744 -15.700 -3.595 1.00 0.62 O ATOM 0 H GLY A 85 -6.911 -13.576 -0.904 1.00 0.52 H new ATOM 0 HA2 GLY A 85 -7.386 -12.871 -3.069 1.00 0.56 H new ATOM 0 HA3 GLY A 85 -6.622 -14.300 -3.737 1.00 0.56 H new ATOM 1395 N GLU A 86 -9.592 -13.963 -2.445 1.00 0.55 N ATOM 1396 CA GLU A 86 -10.970 -14.426 -2.431 1.00 0.62 C ATOM 1397 C GLU A 86 -11.637 -14.292 -3.807 1.00 0.68 C ATOM 1398 O GLU A 86 -12.844 -14.492 -3.952 1.00 1.05 O ATOM 1399 CB GLU A 86 -11.687 -13.613 -1.363 1.00 0.72 C ATOM 1400 CG GLU A 86 -10.876 -13.595 -0.075 1.00 0.74 C ATOM 1401 CD GLU A 86 -11.044 -12.341 0.753 1.00 1.04 C ATOM 1402 OE1 GLU A 86 -12.045 -12.224 1.479 1.00 1.33 O ATOM 1403 OE2 GLU A 86 -10.135 -11.480 0.713 1.00 1.17 O ATOM 0 H GLU A 86 -9.458 -13.074 -1.964 1.00 0.55 H new ATOM 0 HA GLU A 86 -11.018 -15.490 -2.200 1.00 0.62 H new ATOM 0 HB2 GLU A 86 -11.843 -12.594 -1.716 1.00 0.72 H new ATOM 0 HB3 GLU A 86 -12.672 -14.039 -1.174 1.00 0.72 H new ATOM 0 HG2 GLU A 86 -11.160 -14.456 0.530 1.00 0.74 H new ATOM 0 HG3 GLU A 86 -9.821 -13.713 -0.323 1.00 0.74 H new ATOM 1410 N LEU A 87 -10.819 -13.947 -4.800 1.00 0.71 N ATOM 1411 CA LEU A 87 -11.205 -13.928 -6.214 1.00 0.73 C ATOM 1412 C LEU A 87 -12.343 -12.965 -6.549 1.00 0.74 C ATOM 1413 O LEU A 87 -12.822 -12.211 -5.699 1.00 0.72 O ATOM 1414 CB LEU A 87 -11.552 -15.341 -6.681 1.00 0.85 C ATOM 1415 CG LEU A 87 -10.343 -16.197 -7.044 1.00 1.14 C ATOM 1416 CD1 LEU A 87 -10.764 -17.638 -7.281 1.00 1.48 C ATOM 1417 CD2 LEU A 87 -9.655 -15.625 -8.277 1.00 1.73 C ATOM 0 H LEU A 87 -9.851 -13.667 -4.644 1.00 0.71 H new ATOM 0 HA LEU A 87 -10.336 -13.551 -6.753 1.00 0.73 H new ATOM 0 HB2 LEU A 87 -12.115 -15.843 -5.894 1.00 0.85 H new ATOM 0 HB3 LEU A 87 -12.208 -15.273 -7.549 1.00 0.85 H new ATOM 0 HG LEU A 87 -9.637 -16.184 -6.213 1.00 1.14 H new ATOM 0 HD11 LEU A 87 -9.889 -18.235 -7.539 1.00 1.48 H new ATOM 0 HD12 LEU A 87 -11.221 -18.037 -6.376 1.00 1.48 H new ATOM 0 HD13 LEU A 87 -11.484 -17.677 -8.099 1.00 1.48 H new ATOM 0 HD21 LEU A 87 -8.792 -16.241 -8.531 1.00 1.73 H new ATOM 0 HD22 LEU A 87 -10.354 -15.617 -9.113 1.00 1.73 H new ATOM 0 HD23 LEU A 87 -9.325 -14.607 -8.070 1.00 1.73 H new ATOM 1429 N ASP A 88 -12.725 -12.989 -7.827 1.00 0.80 N ATOM 1430 CA ASP A 88 -13.789 -12.149 -8.386 1.00 0.85 C ATOM 1431 C ASP A 88 -13.504 -10.662 -8.176 1.00 0.74 C ATOM 1432 O ASP A 88 -12.803 -10.040 -8.973 1.00 0.67 O ATOM 1433 CB ASP A 88 -15.152 -12.531 -7.796 1.00 1.01 C ATOM 1434 CG ASP A 88 -16.309 -11.837 -8.489 1.00 1.03 C ATOM 1435 OD1 ASP A 88 -16.788 -12.359 -9.518 1.00 1.38 O ATOM 1436 OD2 ASP A 88 -16.751 -10.783 -7.997 1.00 1.38 O ATOM 0 H ASP A 88 -12.296 -13.605 -8.517 1.00 0.80 H new ATOM 0 HA ASP A 88 -13.817 -12.328 -9.461 1.00 0.85 H new ATOM 0 HB2 ASP A 88 -15.285 -13.610 -7.870 1.00 1.01 H new ATOM 0 HB3 ASP A 88 -15.167 -12.280 -6.735 1.00 1.01 H new ATOM 1441 N MET A 89 -14.033 -10.101 -7.096 1.00 0.76 N ATOM 1442 CA MET A 89 -13.761 -8.724 -6.724 1.00 0.73 C ATOM 1443 C MET A 89 -12.273 -8.528 -6.470 1.00 0.57 C ATOM 1444 O MET A 89 -11.750 -7.438 -6.629 1.00 0.53 O ATOM 1445 CB MET A 89 -14.572 -8.339 -5.486 1.00 0.87 C ATOM 1446 CG MET A 89 -16.071 -8.326 -5.720 1.00 1.58 C ATOM 1447 SD MET A 89 -16.994 -7.860 -4.245 1.00 1.63 S ATOM 1448 CE MET A 89 -18.671 -7.884 -4.871 1.00 2.72 C ATOM 0 H MET A 89 -14.661 -10.589 -6.457 1.00 0.76 H new ATOM 0 HA MET A 89 -14.058 -8.075 -7.548 1.00 0.73 H new ATOM 0 HB2 MET A 89 -14.345 -9.038 -4.681 1.00 0.87 H new ATOM 0 HB3 MET A 89 -14.257 -7.352 -5.149 1.00 0.87 H new ATOM 0 HG2 MET A 89 -16.304 -7.630 -6.526 1.00 1.58 H new ATOM 0 HG3 MET A 89 -16.393 -9.314 -6.049 1.00 1.58 H new ATOM 0 HE1 MET A 89 -19.362 -7.615 -4.072 1.00 2.72 H new ATOM 0 HE2 MET A 89 -18.765 -7.168 -5.687 1.00 2.72 H new ATOM 0 HE3 MET A 89 -18.909 -8.883 -5.236 1.00 2.72 H new ATOM 1458 N ILE A 90 -11.596 -9.598 -6.081 1.00 0.53 N ATOM 1459 CA ILE A 90 -10.146 -9.578 -5.931 1.00 0.45 C ATOM 1460 C ILE A 90 -9.477 -9.296 -7.269 1.00 0.42 C ATOM 1461 O ILE A 90 -8.542 -8.496 -7.357 1.00 0.51 O ATOM 1462 CB ILE A 90 -9.649 -10.923 -5.375 1.00 0.48 C ATOM 1463 CG1 ILE A 90 -10.108 -11.079 -3.927 1.00 0.58 C ATOM 1464 CG2 ILE A 90 -8.131 -11.050 -5.485 1.00 0.49 C ATOM 1465 CD1 ILE A 90 -9.341 -10.220 -2.954 1.00 0.67 C ATOM 0 H ILE A 90 -12.029 -10.495 -5.862 1.00 0.53 H new ATOM 0 HA ILE A 90 -9.884 -8.785 -5.231 1.00 0.45 H new ATOM 0 HB ILE A 90 -10.080 -11.725 -5.974 1.00 0.48 H new ATOM 0 HG12 ILE A 90 -11.167 -10.830 -3.862 1.00 0.58 H new ATOM 0 HG13 ILE A 90 -10.008 -12.124 -3.634 1.00 0.58 H new ATOM 0 HG21 ILE A 90 -7.816 -12.013 -5.082 1.00 0.49 H new ATOM 0 HG22 ILE A 90 -7.835 -10.980 -6.532 1.00 0.49 H new ATOM 0 HG23 ILE A 90 -7.657 -10.248 -4.919 1.00 0.49 H new ATOM 0 HD11 ILE A 90 -9.722 -10.383 -1.946 1.00 0.67 H new ATOM 0 HD12 ILE A 90 -8.284 -10.484 -2.990 1.00 0.67 H new ATOM 0 HD13 ILE A 90 -9.462 -9.170 -3.222 1.00 0.67 H new ATOM 1477 N GLN A 91 -9.982 -9.948 -8.308 1.00 0.48 N ATOM 1478 CA GLN A 91 -9.484 -9.749 -9.660 1.00 0.52 C ATOM 1479 C GLN A 91 -9.746 -8.311 -10.092 1.00 0.44 C ATOM 1480 O GLN A 91 -8.859 -7.619 -10.575 1.00 0.40 O ATOM 1481 CB GLN A 91 -10.186 -10.709 -10.618 1.00 0.67 C ATOM 1482 CG GLN A 91 -10.011 -12.176 -10.262 1.00 0.79 C ATOM 1483 CD GLN A 91 -10.920 -13.073 -11.078 1.00 1.78 C ATOM 1484 OE1 GLN A 91 -12.032 -12.686 -11.432 1.00 2.50 O ATOM 1485 NE2 GLN A 91 -10.449 -14.265 -11.403 1.00 2.49 N ATOM 0 H GLN A 91 -10.742 -10.624 -8.237 1.00 0.48 H new ATOM 0 HA GLN A 91 -8.412 -9.945 -9.681 1.00 0.52 H new ATOM 0 HB2 GLN A 91 -11.250 -10.475 -10.636 1.00 0.67 H new ATOM 0 HB3 GLN A 91 -9.806 -10.543 -11.626 1.00 0.67 H new ATOM 0 HG2 GLN A 91 -8.973 -12.467 -10.426 1.00 0.79 H new ATOM 0 HG3 GLN A 91 -10.219 -12.319 -9.201 1.00 0.79 H new ATOM 0 HE21 GLN A 91 -9.521 -14.549 -11.090 1.00 2.49 H new ATOM 0 HE22 GLN A 91 -11.014 -14.900 -11.967 1.00 2.49 H new ATOM 1494 N GLU A 92 -10.980 -7.886 -9.869 1.00 0.47 N ATOM 1495 CA GLU A 92 -11.463 -6.547 -10.219 1.00 0.46 C ATOM 1496 C GLU A 92 -10.840 -5.451 -9.323 1.00 0.37 C ATOM 1497 O GLU A 92 -10.815 -4.270 -9.683 1.00 0.37 O ATOM 1498 CB GLU A 92 -12.981 -6.574 -10.080 1.00 0.58 C ATOM 1499 CG GLU A 92 -13.655 -5.221 -10.038 1.00 0.65 C ATOM 1500 CD GLU A 92 -15.164 -5.326 -10.059 1.00 0.83 C ATOM 1501 OE1 GLU A 92 -15.746 -5.356 -11.166 1.00 0.94 O ATOM 1502 OE2 GLU A 92 -15.778 -5.384 -8.973 1.00 1.27 O ATOM 0 H GLU A 92 -11.693 -8.469 -9.431 1.00 0.47 H new ATOM 0 HA GLU A 92 -11.168 -6.298 -11.238 1.00 0.46 H new ATOM 0 HB2 GLU A 92 -13.395 -7.141 -10.914 1.00 0.58 H new ATOM 0 HB3 GLU A 92 -13.235 -7.116 -9.169 1.00 0.58 H new ATOM 0 HG2 GLU A 92 -13.343 -4.691 -9.138 1.00 0.65 H new ATOM 0 HG3 GLU A 92 -13.323 -4.627 -10.889 1.00 0.65 H new ATOM 1509 N SER A 93 -10.337 -5.838 -8.164 1.00 0.34 N ATOM 1510 CA SER A 93 -9.627 -4.909 -7.294 1.00 0.34 C ATOM 1511 C SER A 93 -8.318 -4.466 -7.955 1.00 0.33 C ATOM 1512 O SER A 93 -8.143 -3.288 -8.283 1.00 0.32 O ATOM 1513 CB SER A 93 -9.358 -5.570 -5.942 1.00 0.43 C ATOM 1514 OG SER A 93 -9.033 -4.611 -4.955 1.00 1.28 O ATOM 0 H SER A 93 -10.406 -6.789 -7.801 1.00 0.34 H new ATOM 0 HA SER A 93 -10.243 -4.024 -7.131 1.00 0.34 H new ATOM 0 HB2 SER A 93 -10.237 -6.133 -5.629 1.00 0.43 H new ATOM 0 HB3 SER A 93 -8.541 -6.284 -6.041 1.00 0.43 H new ATOM 0 HG SER A 93 -9.335 -4.928 -4.078 1.00 1.28 H new ATOM 1520 N LYS A 94 -7.405 -5.415 -8.170 1.00 0.33 N ATOM 1521 CA LYS A 94 -6.173 -5.137 -8.910 1.00 0.34 C ATOM 1522 C LYS A 94 -6.509 -4.636 -10.312 1.00 0.32 C ATOM 1523 O LYS A 94 -5.779 -3.845 -10.908 1.00 0.33 O ATOM 1524 CB LYS A 94 -5.296 -6.385 -8.995 1.00 0.36 C ATOM 1525 CG LYS A 94 -6.055 -7.638 -9.382 1.00 0.37 C ATOM 1526 CD LYS A 94 -5.132 -8.827 -9.551 1.00 0.43 C ATOM 1527 CE LYS A 94 -4.490 -9.213 -8.234 1.00 1.37 C ATOM 1528 NZ LYS A 94 -3.615 -10.406 -8.366 1.00 1.91 N ATOM 0 H LYS A 94 -7.494 -6.377 -7.844 1.00 0.33 H new ATOM 0 HA LYS A 94 -5.618 -4.365 -8.377 1.00 0.34 H new ATOM 0 HB2 LYS A 94 -4.503 -6.212 -9.723 1.00 0.36 H new ATOM 0 HB3 LYS A 94 -4.814 -6.546 -8.031 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -6.800 -7.862 -8.618 1.00 0.37 H new ATOM 0 HG3 LYS A 94 -6.595 -7.463 -10.312 1.00 0.37 H new ATOM 0 HD2 LYS A 94 -5.693 -9.673 -9.947 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -4.358 -8.589 -10.280 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -3.904 -8.374 -7.858 1.00 1.37 H new ATOM 0 HE3 LYS A 94 -5.268 -9.414 -7.498 1.00 1.37 H new ATOM 0 HZ1 LYS A 94 -3.197 -10.634 -7.441 1.00 1.91 H new ATOM 0 HZ2 LYS A 94 -4.178 -11.214 -8.700 1.00 1.91 H new ATOM 0 HZ3 LYS A 94 -2.857 -10.206 -9.049 1.00 1.91 H new ATOM 1542 N GLU A 95 -7.626 -5.127 -10.812 1.00 0.33 N ATOM 1543 CA GLU A 95 -8.205 -4.704 -12.073 1.00 0.35 C ATOM 1544 C GLU A 95 -8.256 -3.188 -12.193 1.00 0.31 C ATOM 1545 O GLU A 95 -7.679 -2.605 -13.112 1.00 0.37 O ATOM 1546 CB GLU A 95 -9.620 -5.235 -12.122 1.00 0.49 C ATOM 1547 CG GLU A 95 -10.315 -5.077 -13.430 1.00 0.56 C ATOM 1548 CD GLU A 95 -11.810 -4.905 -13.303 1.00 1.32 C ATOM 1549 OE1 GLU A 95 -12.263 -3.777 -13.039 1.00 1.72 O ATOM 1550 OE2 GLU A 95 -12.543 -5.896 -13.507 1.00 1.84 O ATOM 0 H GLU A 95 -8.170 -5.850 -10.341 1.00 0.33 H new ATOM 0 HA GLU A 95 -7.591 -5.085 -12.889 1.00 0.35 H new ATOM 0 HB2 GLU A 95 -9.602 -6.294 -11.865 1.00 0.49 H new ATOM 0 HB3 GLU A 95 -10.207 -4.730 -11.354 1.00 0.49 H new ATOM 0 HG2 GLU A 95 -9.901 -4.213 -13.950 1.00 0.56 H new ATOM 0 HG3 GLU A 95 -10.109 -5.950 -14.049 1.00 0.56 H new ATOM 1557 N LEU A 96 -8.947 -2.558 -11.252 1.00 0.28 N ATOM 1558 CA LEU A 96 -9.248 -1.145 -11.358 1.00 0.28 C ATOM 1559 C LEU A 96 -8.008 -0.274 -11.193 1.00 0.28 C ATOM 1560 O LEU A 96 -7.941 0.832 -11.734 1.00 0.47 O ATOM 1561 CB LEU A 96 -10.297 -0.743 -10.330 1.00 0.34 C ATOM 1562 CG LEU A 96 -11.727 -1.171 -10.650 1.00 0.55 C ATOM 1563 CD1 LEU A 96 -12.679 -0.671 -9.577 1.00 1.16 C ATOM 1564 CD2 LEU A 96 -12.146 -0.653 -12.017 1.00 1.25 C ATOM 0 H LEU A 96 -9.307 -3.006 -10.410 1.00 0.28 H new ATOM 0 HA LEU A 96 -9.638 -0.981 -12.363 1.00 0.28 H new ATOM 0 HB2 LEU A 96 -10.017 -1.166 -9.366 1.00 0.34 H new ATOM 0 HB3 LEU A 96 -10.276 0.341 -10.220 1.00 0.34 H new ATOM 0 HG LEU A 96 -11.767 -2.260 -10.670 1.00 0.55 H new ATOM 0 HD11 LEU A 96 -13.695 -0.983 -9.818 1.00 1.16 H new ATOM 0 HD12 LEU A 96 -12.391 -1.087 -8.612 1.00 1.16 H new ATOM 0 HD13 LEU A 96 -12.635 0.417 -9.530 1.00 1.16 H new ATOM 0 HD21 LEU A 96 -13.168 -0.968 -12.228 1.00 1.25 H new ATOM 0 HD22 LEU A 96 -12.093 0.436 -12.026 1.00 1.25 H new ATOM 0 HD23 LEU A 96 -11.478 -1.055 -12.779 1.00 1.25 H new ATOM 1576 N GLY A 97 -7.030 -0.760 -10.442 1.00 0.20 N ATOM 1577 CA GLY A 97 -5.820 0.013 -10.245 1.00 0.21 C ATOM 1578 C GLY A 97 -4.971 -0.466 -9.079 1.00 0.20 C ATOM 1579 O GLY A 97 -4.048 0.232 -8.663 1.00 0.35 O ATOM 0 H GLY A 97 -7.051 -1.664 -9.971 1.00 0.20 H new ATOM 0 HA2 GLY A 97 -5.223 -0.024 -11.156 1.00 0.21 H new ATOM 0 HA3 GLY A 97 -6.089 1.057 -10.082 1.00 0.21 H new ATOM 1583 N ALA A 98 -5.280 -1.635 -8.525 1.00 0.15 N ATOM 1584 CA ALA A 98 -4.425 -2.221 -7.509 1.00 0.13 C ATOM 1585 C ALA A 98 -3.328 -3.043 -8.174 1.00 0.14 C ATOM 1586 O ALA A 98 -3.579 -3.775 -9.124 1.00 0.21 O ATOM 1587 CB ALA A 98 -5.227 -3.073 -6.530 1.00 0.17 C ATOM 0 H ALA A 98 -6.106 -2.186 -8.761 1.00 0.15 H new ATOM 0 HA ALA A 98 -3.967 -1.416 -6.935 1.00 0.13 H new ATOM 0 HB1 ALA A 98 -4.556 -3.497 -5.782 1.00 0.17 H new ATOM 0 HB2 ALA A 98 -5.975 -2.453 -6.036 1.00 0.17 H new ATOM 0 HB3 ALA A 98 -5.723 -3.879 -7.071 1.00 0.17 H new ATOM 1593 N LEU A 99 -2.113 -2.907 -7.690 1.00 0.15 N ATOM 1594 CA LEU A 99 -0.990 -3.628 -8.252 1.00 0.16 C ATOM 1595 C LEU A 99 -1.046 -5.071 -7.830 1.00 0.15 C ATOM 1596 O LEU A 99 -0.943 -5.988 -8.645 1.00 0.17 O ATOM 1597 CB LEU A 99 0.308 -3.055 -7.723 1.00 0.18 C ATOM 1598 CG LEU A 99 0.331 -1.545 -7.587 1.00 0.17 C ATOM 1599 CD1 LEU A 99 1.520 -1.109 -6.747 1.00 0.17 C ATOM 1600 CD2 LEU A 99 0.374 -0.893 -8.960 1.00 0.18 C ATOM 0 H LEU A 99 -1.876 -2.301 -6.905 1.00 0.15 H new ATOM 0 HA LEU A 99 -1.037 -3.540 -9.337 1.00 0.16 H new ATOM 0 HB2 LEU A 99 0.512 -3.496 -6.747 1.00 0.18 H new ATOM 0 HB3 LEU A 99 1.119 -3.358 -8.386 1.00 0.18 H new ATOM 0 HG LEU A 99 -0.581 -1.224 -7.083 1.00 0.17 H new ATOM 0 HD11 LEU A 99 1.524 -0.023 -6.658 1.00 0.17 H new ATOM 0 HD12 LEU A 99 1.447 -1.554 -5.755 1.00 0.17 H new ATOM 0 HD13 LEU A 99 2.443 -1.437 -7.225 1.00 0.17 H new ATOM 0 HD21 LEU A 99 0.390 0.191 -8.848 1.00 0.18 H new ATOM 0 HD22 LEU A 99 1.271 -1.216 -9.488 1.00 0.18 H new ATOM 0 HD23 LEU A 99 -0.508 -1.186 -9.530 1.00 0.18 H new ATOM 1612 N THR A 100 -1.228 -5.253 -6.539 1.00 0.14 N ATOM 1613 CA THR A 100 -1.140 -6.561 -5.943 1.00 0.14 C ATOM 1614 C THR A 100 -2.224 -6.774 -4.897 1.00 0.15 C ATOM 1615 O THR A 100 -2.646 -5.839 -4.218 1.00 0.13 O ATOM 1616 CB THR A 100 0.231 -6.754 -5.267 1.00 0.16 C ATOM 1617 OG1 THR A 100 0.431 -5.715 -4.305 1.00 0.19 O ATOM 1618 CG2 THR A 100 1.363 -6.724 -6.284 1.00 0.16 C ATOM 0 H THR A 100 -1.439 -4.503 -5.881 1.00 0.14 H new ATOM 0 HA THR A 100 -1.271 -7.286 -6.746 1.00 0.14 H new ATOM 0 HB THR A 100 0.238 -7.730 -4.781 1.00 0.16 H new ATOM 0 HG1 THR A 100 1.247 -5.896 -3.793 1.00 0.19 H new ATOM 0 HG21 THR A 100 2.315 -6.863 -5.773 1.00 0.16 H new ATOM 0 HG22 THR A 100 1.221 -7.524 -7.010 1.00 0.16 H new ATOM 0 HG23 THR A 100 1.364 -5.763 -6.799 1.00 0.16 H new ATOM 1626 N ALA A 101 -2.655 -8.016 -4.790 1.00 0.26 N ATOM 1627 CA ALA A 101 -3.527 -8.443 -3.719 1.00 0.27 C ATOM 1628 C ALA A 101 -2.723 -9.303 -2.759 1.00 0.36 C ATOM 1629 O ALA A 101 -2.637 -10.521 -2.925 1.00 0.52 O ATOM 1630 CB ALA A 101 -4.723 -9.208 -4.268 1.00 0.36 C ATOM 0 H ALA A 101 -2.408 -8.757 -5.446 1.00 0.26 H new ATOM 0 HA ALA A 101 -3.917 -7.573 -3.191 1.00 0.27 H new ATOM 0 HB1 ALA A 101 -5.365 -9.519 -3.444 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -5.287 -8.565 -4.944 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -4.375 -10.088 -4.809 1.00 0.36 H new ATOM 1636 N PHE A 102 -2.099 -8.663 -1.780 1.00 0.41 N ATOM 1637 CA PHE A 102 -1.178 -9.355 -0.895 1.00 0.58 C ATOM 1638 C PHE A 102 -1.948 -10.025 0.235 1.00 0.39 C ATOM 1639 O PHE A 102 -2.948 -9.492 0.720 1.00 0.46 O ATOM 1640 CB PHE A 102 -0.090 -8.391 -0.386 1.00 0.92 C ATOM 1641 CG PHE A 102 -0.291 -7.803 0.986 1.00 1.68 C ATOM 1642 CD1 PHE A 102 0.034 -8.528 2.124 1.00 2.38 C ATOM 1643 CD2 PHE A 102 -0.763 -6.512 1.132 1.00 2.35 C ATOM 1644 CE1 PHE A 102 -0.121 -7.978 3.380 1.00 3.38 C ATOM 1645 CE2 PHE A 102 -0.911 -5.955 2.386 1.00 3.44 C ATOM 1646 CZ PHE A 102 -0.592 -6.689 3.511 1.00 3.86 C ATOM 0 H PHE A 102 -2.214 -7.669 -1.580 1.00 0.41 H new ATOM 0 HA PHE A 102 -0.663 -10.142 -1.446 1.00 0.58 H new ATOM 0 HB2 PHE A 102 0.863 -8.920 -0.392 1.00 0.92 H new ATOM 0 HB3 PHE A 102 -0.003 -7.570 -1.098 1.00 0.92 H new ATOM 0 HD1 PHE A 102 0.413 -9.535 2.025 1.00 2.38 H new ATOM 0 HD2 PHE A 102 -1.018 -5.934 0.256 1.00 2.35 H new ATOM 0 HE1 PHE A 102 0.126 -8.556 4.258 1.00 3.38 H new ATOM 0 HE2 PHE A 102 -1.277 -4.944 2.487 1.00 3.44 H new ATOM 0 HZ PHE A 102 -0.711 -6.254 4.492 1.00 3.86 H new ATOM 1656 N ALA A 103 -1.505 -11.210 0.622 1.00 0.40 N ATOM 1657 CA ALA A 103 -2.210 -11.997 1.613 1.00 0.44 C ATOM 1658 C ALA A 103 -1.456 -12.034 2.931 1.00 0.65 C ATOM 1659 O ALA A 103 -0.356 -11.494 3.040 1.00 0.76 O ATOM 1660 CB ALA A 103 -2.414 -13.400 1.078 1.00 0.57 C ATOM 0 H ALA A 103 -0.657 -11.647 0.262 1.00 0.40 H new ATOM 0 HA ALA A 103 -3.177 -11.533 1.806 1.00 0.44 H new ATOM 0 HB1 ALA A 103 -2.944 -13.998 1.819 1.00 0.57 H new ATOM 0 HB2 ALA A 103 -2.999 -13.358 0.159 1.00 0.57 H new ATOM 0 HB3 ALA A 103 -1.445 -13.855 0.870 1.00 0.57 H new ATOM 1666 N LYS A 104 -2.054 -12.684 3.926 1.00 0.84 N ATOM 1667 CA LYS A 104 -1.431 -12.831 5.239 1.00 1.12 C ATOM 1668 C LYS A 104 -0.083 -13.561 5.154 1.00 1.08 C ATOM 1669 O LYS A 104 0.873 -13.165 5.825 1.00 1.13 O ATOM 1670 CB LYS A 104 -2.370 -13.547 6.211 1.00 1.55 C ATOM 1671 CG LYS A 104 -3.559 -12.705 6.643 1.00 1.83 C ATOM 1672 CD LYS A 104 -4.442 -13.428 7.657 1.00 2.48 C ATOM 1673 CE LYS A 104 -3.726 -13.688 8.980 1.00 2.95 C ATOM 1674 NZ LYS A 104 -2.787 -14.842 8.909 1.00 3.35 N ATOM 0 H LYS A 104 -2.973 -13.119 3.847 1.00 0.84 H new ATOM 0 HA LYS A 104 -1.238 -11.828 5.618 1.00 1.12 H new ATOM 0 HB2 LYS A 104 -2.734 -14.462 5.743 1.00 1.55 H new ATOM 0 HB3 LYS A 104 -1.806 -13.844 7.095 1.00 1.55 H new ATOM 0 HG2 LYS A 104 -3.202 -11.771 7.076 1.00 1.83 H new ATOM 0 HG3 LYS A 104 -4.154 -12.444 5.768 1.00 1.83 H new ATOM 0 HD2 LYS A 104 -5.337 -12.834 7.843 1.00 2.48 H new ATOM 0 HD3 LYS A 104 -4.772 -14.377 7.234 1.00 2.48 H new ATOM 0 HE2 LYS A 104 -3.175 -12.794 9.272 1.00 2.95 H new ATOM 0 HE3 LYS A 104 -4.466 -13.874 9.758 1.00 2.95 H new ATOM 0 HZ1 LYS A 104 -2.979 -15.494 9.696 1.00 3.35 H new ATOM 0 HZ2 LYS A 104 -2.918 -15.341 8.006 1.00 3.35 H new ATOM 0 HZ3 LYS A 104 -1.808 -14.498 8.976 1.00 3.35 H new ATOM 1688 N PRO A 105 0.032 -14.652 4.370 1.00 1.09 N ATOM 1689 CA PRO A 105 1.342 -15.217 4.071 1.00 1.13 C ATOM 1690 C PRO A 105 2.095 -14.350 3.064 1.00 0.95 C ATOM 1691 O PRO A 105 1.892 -14.449 1.853 1.00 0.91 O ATOM 1692 CB PRO A 105 1.021 -16.594 3.483 1.00 1.28 C ATOM 1693 CG PRO A 105 -0.353 -16.461 2.922 1.00 1.36 C ATOM 1694 CD PRO A 105 -1.064 -15.445 3.776 1.00 1.17 C ATOM 0 HA PRO A 105 1.986 -15.276 4.948 1.00 1.13 H new ATOM 0 HB2 PRO A 105 1.738 -16.870 2.710 1.00 1.28 H new ATOM 0 HB3 PRO A 105 1.062 -17.369 4.248 1.00 1.28 H new ATOM 0 HG2 PRO A 105 -0.318 -16.138 1.882 1.00 1.36 H new ATOM 0 HG3 PRO A 105 -0.875 -17.418 2.941 1.00 1.36 H new ATOM 0 HD2 PRO A 105 -1.732 -14.821 3.182 1.00 1.17 H new ATOM 0 HD3 PRO A 105 -1.672 -15.924 4.543 1.00 1.17 H new ATOM 1702 N PHE A 106 2.948 -13.484 3.582 1.00 0.92 N ATOM 1703 CA PHE A 106 3.757 -12.607 2.750 1.00 0.81 C ATOM 1704 C PHE A 106 5.208 -12.668 3.180 1.00 0.81 C ATOM 1705 O PHE A 106 5.518 -12.851 4.356 1.00 0.86 O ATOM 1706 CB PHE A 106 3.235 -11.162 2.791 1.00 0.76 C ATOM 1707 CG PHE A 106 3.182 -10.553 4.166 1.00 0.80 C ATOM 1708 CD1 PHE A 106 4.285 -9.904 4.698 1.00 0.76 C ATOM 1709 CD2 PHE A 106 2.026 -10.626 4.923 1.00 0.98 C ATOM 1710 CE1 PHE A 106 4.234 -9.344 5.959 1.00 0.85 C ATOM 1711 CE2 PHE A 106 1.970 -10.069 6.185 1.00 1.10 C ATOM 1712 CZ PHE A 106 3.075 -9.429 6.703 1.00 1.02 C ATOM 0 H PHE A 106 3.100 -13.368 4.584 1.00 0.92 H new ATOM 0 HA PHE A 106 3.684 -12.954 1.719 1.00 0.81 H new ATOM 0 HB2 PHE A 106 3.870 -10.542 2.158 1.00 0.76 H new ATOM 0 HB3 PHE A 106 2.235 -11.139 2.359 1.00 0.76 H new ATOM 0 HD1 PHE A 106 5.195 -9.836 4.120 1.00 0.76 H new ATOM 0 HD2 PHE A 106 1.156 -11.125 4.521 1.00 0.98 H new ATOM 0 HE1 PHE A 106 5.100 -8.840 6.362 1.00 0.85 H new ATOM 0 HE2 PHE A 106 1.062 -10.135 6.765 1.00 1.10 H new ATOM 0 HZ PHE A 106 3.034 -8.994 7.691 1.00 1.02 H new ATOM 1722 N ASP A 107 6.091 -12.498 2.219 1.00 0.79 N ATOM 1723 CA ASP A 107 7.515 -12.640 2.444 1.00 0.82 C ATOM 1724 C ASP A 107 8.104 -11.363 3.042 1.00 0.73 C ATOM 1725 O ASP A 107 9.308 -11.277 3.249 1.00 0.72 O ATOM 1726 CB ASP A 107 8.171 -13.002 1.108 1.00 0.88 C ATOM 1727 CG ASP A 107 9.673 -13.181 1.186 1.00 1.35 C ATOM 1728 OD1 ASP A 107 10.125 -14.191 1.766 1.00 1.63 O ATOM 1729 OD2 ASP A 107 10.405 -12.324 0.657 1.00 1.77 O ATOM 0 H ASP A 107 5.843 -12.257 1.259 1.00 0.79 H new ATOM 0 HA ASP A 107 7.707 -13.433 3.167 1.00 0.82 H new ATOM 0 HB2 ASP A 107 7.725 -13.924 0.734 1.00 0.88 H new ATOM 0 HB3 ASP A 107 7.946 -12.221 0.381 1.00 0.88 H new ATOM 1734 N ILE A 108 7.206 -10.422 3.382 1.00 0.73 N ATOM 1735 CA ILE A 108 7.527 -9.042 3.820 1.00 0.71 C ATOM 1736 C ILE A 108 8.453 -8.320 2.829 1.00 0.66 C ATOM 1737 O ILE A 108 8.063 -7.304 2.236 1.00 0.63 O ATOM 1738 CB ILE A 108 8.061 -8.940 5.296 1.00 0.77 C ATOM 1739 CG1 ILE A 108 8.116 -7.471 5.751 1.00 0.67 C ATOM 1740 CG2 ILE A 108 9.426 -9.592 5.495 1.00 1.33 C ATOM 1741 CD1 ILE A 108 8.770 -7.281 7.106 1.00 1.39 C ATOM 0 H ILE A 108 6.202 -10.602 3.361 1.00 0.73 H new ATOM 0 HA ILE A 108 6.570 -8.520 3.823 1.00 0.71 H new ATOM 0 HB ILE A 108 7.352 -9.495 5.911 1.00 0.77 H new ATOM 0 HG12 ILE A 108 8.662 -6.889 5.008 1.00 0.67 H new ATOM 0 HG13 ILE A 108 7.102 -7.072 5.787 1.00 0.67 H new ATOM 0 HG21 ILE A 108 9.733 -9.484 6.535 1.00 1.33 H new ATOM 0 HG22 ILE A 108 9.364 -10.651 5.243 1.00 1.33 H new ATOM 0 HG23 ILE A 108 10.158 -9.108 4.849 1.00 1.33 H new ATOM 0 HD11 ILE A 108 8.774 -6.222 7.363 1.00 1.39 H new ATOM 0 HD12 ILE A 108 8.212 -7.835 7.860 1.00 1.39 H new ATOM 0 HD13 ILE A 108 9.795 -7.650 7.070 1.00 1.39 H new ATOM 1753 N ASP A 109 9.640 -8.865 2.602 1.00 0.68 N ATOM 1754 CA ASP A 109 10.583 -8.291 1.664 1.00 0.67 C ATOM 1755 C ASP A 109 9.999 -8.288 0.268 1.00 0.62 C ATOM 1756 O ASP A 109 10.293 -7.401 -0.500 1.00 0.58 O ATOM 1757 CB ASP A 109 11.908 -9.055 1.662 1.00 0.73 C ATOM 1758 CG ASP A 109 12.925 -8.460 0.705 1.00 0.95 C ATOM 1759 OD1 ASP A 109 13.553 -7.437 1.055 1.00 1.16 O ATOM 1760 OD2 ASP A 109 13.088 -9.001 -0.409 1.00 1.08 O ATOM 0 H ASP A 109 9.971 -9.713 3.062 1.00 0.68 H new ATOM 0 HA ASP A 109 10.779 -7.267 1.981 1.00 0.67 H new ATOM 0 HB2 ASP A 109 12.322 -9.058 2.670 1.00 0.73 H new ATOM 0 HB3 ASP A 109 11.723 -10.094 1.390 1.00 0.73 H new ATOM 1765 N GLU A 110 9.142 -9.263 -0.052 1.00 0.65 N ATOM 1766 CA GLU A 110 8.536 -9.313 -1.383 1.00 0.64 C ATOM 1767 C GLU A 110 7.652 -8.093 -1.604 1.00 0.59 C ATOM 1768 O GLU A 110 7.499 -7.623 -2.728 1.00 0.58 O ATOM 1769 CB GLU A 110 7.708 -10.592 -1.585 1.00 0.68 C ATOM 1770 CG GLU A 110 6.345 -10.571 -0.898 1.00 0.67 C ATOM 1771 CD GLU A 110 5.492 -11.762 -1.261 1.00 0.72 C ATOM 1772 OE1 GLU A 110 5.117 -11.889 -2.446 1.00 0.72 O ATOM 1773 OE2 GLU A 110 5.176 -12.567 -0.362 1.00 0.84 O ATOM 0 H GLU A 110 8.858 -10.013 0.578 1.00 0.65 H new ATOM 0 HA GLU A 110 9.347 -9.317 -2.111 1.00 0.64 H new ATOM 0 HB2 GLU A 110 7.561 -10.751 -2.653 1.00 0.68 H new ATOM 0 HB3 GLU A 110 8.278 -11.443 -1.211 1.00 0.68 H new ATOM 0 HG2 GLU A 110 6.487 -10.547 0.182 1.00 0.67 H new ATOM 0 HG3 GLU A 110 5.819 -9.656 -1.171 1.00 0.67 H new ATOM 1780 N ILE A 111 7.086 -7.575 -0.522 1.00 0.57 N ATOM 1781 CA ILE A 111 6.203 -6.424 -0.615 1.00 0.54 C ATOM 1782 C ILE A 111 7.013 -5.136 -0.687 1.00 0.48 C ATOM 1783 O ILE A 111 6.711 -4.259 -1.493 1.00 0.46 O ATOM 1784 CB ILE A 111 5.208 -6.378 0.562 1.00 0.58 C ATOM 1785 CG1 ILE A 111 4.472 -7.717 0.683 1.00 0.69 C ATOM 1786 CG2 ILE A 111 4.208 -5.254 0.352 1.00 0.56 C ATOM 1787 CD1 ILE A 111 3.440 -7.750 1.791 1.00 0.74 C ATOM 0 H ILE A 111 7.222 -7.932 0.424 1.00 0.57 H new ATOM 0 HA ILE A 111 5.622 -6.522 -1.532 1.00 0.54 H new ATOM 0 HB ILE A 111 5.761 -6.195 1.484 1.00 0.58 H new ATOM 0 HG12 ILE A 111 3.981 -7.938 -0.265 1.00 0.69 H new ATOM 0 HG13 ILE A 111 5.202 -8.508 0.856 1.00 0.69 H new ATOM 0 HG21 ILE A 111 3.509 -5.228 1.188 1.00 0.56 H new ATOM 0 HG22 ILE A 111 4.737 -4.303 0.292 1.00 0.56 H new ATOM 0 HG23 ILE A 111 3.660 -5.423 -0.575 1.00 0.56 H new ATOM 0 HD11 ILE A 111 2.962 -8.729 1.814 1.00 0.74 H new ATOM 0 HD12 ILE A 111 3.927 -7.562 2.748 1.00 0.74 H new ATOM 0 HD13 ILE A 111 2.687 -6.983 1.610 1.00 0.74 H new ATOM 1799 N ARG A 112 8.064 -5.029 0.127 1.00 0.48 N ATOM 1800 CA ARG A 112 8.940 -3.859 0.048 1.00 0.46 C ATOM 1801 C ARG A 112 9.694 -3.885 -1.277 1.00 0.47 C ATOM 1802 O ARG A 112 9.955 -2.850 -1.898 1.00 0.47 O ATOM 1803 CB ARG A 112 9.912 -3.796 1.247 1.00 0.48 C ATOM 1804 CG ARG A 112 11.154 -4.689 1.160 1.00 0.51 C ATOM 1805 CD ARG A 112 12.260 -4.044 0.329 1.00 0.50 C ATOM 1806 NE ARG A 112 13.526 -4.767 0.419 1.00 0.56 N ATOM 1807 CZ ARG A 112 14.716 -4.169 0.486 1.00 0.62 C ATOM 1808 NH1 ARG A 112 14.796 -2.847 0.579 1.00 0.64 N ATOM 1809 NH2 ARG A 112 15.829 -4.895 0.485 1.00 0.72 N ATOM 0 H ARG A 112 8.325 -5.719 0.832 1.00 0.48 H new ATOM 0 HA ARG A 112 8.329 -2.957 0.093 1.00 0.46 H new ATOM 0 HB2 ARG A 112 10.240 -2.764 1.368 1.00 0.48 H new ATOM 0 HB3 ARG A 112 9.361 -4.063 2.149 1.00 0.48 H new ATOM 0 HG2 ARG A 112 11.526 -4.893 2.164 1.00 0.51 H new ATOM 0 HG3 ARG A 112 10.882 -5.648 0.720 1.00 0.51 H new ATOM 0 HD2 ARG A 112 11.946 -3.998 -0.714 1.00 0.50 H new ATOM 0 HD3 ARG A 112 12.408 -3.017 0.663 1.00 0.50 H new ATOM 0 HE ARG A 112 13.498 -5.787 0.431 1.00 0.56 H new ATOM 0 HH11 ARG A 112 13.945 -2.285 0.599 1.00 0.64 H new ATOM 0 HH12 ARG A 112 15.708 -2.394 0.630 1.00 0.64 H new ATOM 0 HH21 ARG A 112 15.774 -5.912 0.433 1.00 0.72 H new ATOM 0 HH22 ARG A 112 16.738 -4.435 0.536 1.00 0.72 H new ATOM 1823 N ASP A 113 10.023 -5.091 -1.709 1.00 0.50 N ATOM 1824 CA ASP A 113 10.736 -5.288 -2.945 1.00 0.53 C ATOM 1825 C ASP A 113 9.862 -4.815 -4.090 1.00 0.54 C ATOM 1826 O ASP A 113 10.284 -4.020 -4.928 1.00 0.59 O ATOM 1827 CB ASP A 113 11.095 -6.769 -3.130 1.00 0.58 C ATOM 1828 CG ASP A 113 11.878 -7.043 -4.395 1.00 0.67 C ATOM 1829 OD1 ASP A 113 11.258 -7.201 -5.462 1.00 0.78 O ATOM 1830 OD2 ASP A 113 13.124 -7.124 -4.321 1.00 0.77 O ATOM 0 H ASP A 113 9.801 -5.953 -1.210 1.00 0.50 H new ATOM 0 HA ASP A 113 11.664 -4.716 -2.925 1.00 0.53 H new ATOM 0 HB2 ASP A 113 11.677 -7.104 -2.271 1.00 0.58 H new ATOM 0 HB3 ASP A 113 10.178 -7.359 -3.144 1.00 0.58 H new ATOM 1835 N ALA A 114 8.618 -5.287 -4.072 1.00 0.54 N ATOM 1836 CA ALA A 114 7.632 -4.935 -5.078 1.00 0.57 C ATOM 1837 C ALA A 114 7.447 -3.431 -5.182 1.00 0.52 C ATOM 1838 O ALA A 114 7.489 -2.877 -6.278 1.00 0.57 O ATOM 1839 CB ALA A 114 6.301 -5.604 -4.780 1.00 0.59 C ATOM 0 H ALA A 114 8.269 -5.925 -3.356 1.00 0.54 H new ATOM 0 HA ALA A 114 8.005 -5.294 -6.037 1.00 0.57 H new ATOM 0 HB1 ALA A 114 5.576 -5.328 -5.545 1.00 0.59 H new ATOM 0 HB2 ALA A 114 6.430 -6.686 -4.777 1.00 0.59 H new ATOM 0 HB3 ALA A 114 5.941 -5.279 -3.804 1.00 0.59 H new ATOM 1845 N VAL A 115 7.263 -2.765 -4.048 1.00 0.46 N ATOM 1846 CA VAL A 115 6.981 -1.340 -4.072 1.00 0.41 C ATOM 1847 C VAL A 115 8.124 -0.547 -4.721 1.00 0.45 C ATOM 1848 O VAL A 115 7.894 0.208 -5.661 1.00 0.47 O ATOM 1849 CB VAL A 115 6.654 -0.754 -2.680 1.00 0.34 C ATOM 1850 CG1 VAL A 115 5.401 -1.392 -2.110 1.00 0.36 C ATOM 1851 CG2 VAL A 115 7.805 -0.896 -1.704 1.00 0.37 C ATOM 0 H VAL A 115 7.303 -3.182 -3.118 1.00 0.46 H new ATOM 0 HA VAL A 115 6.084 -1.235 -4.682 1.00 0.41 H new ATOM 0 HB VAL A 115 6.481 0.313 -2.822 1.00 0.34 H new ATOM 0 HG11 VAL A 115 5.189 -0.965 -1.130 1.00 0.36 H new ATOM 0 HG12 VAL A 115 4.560 -1.203 -2.778 1.00 0.36 H new ATOM 0 HG13 VAL A 115 5.552 -2.467 -2.012 1.00 0.36 H new ATOM 0 HG21 VAL A 115 7.522 -0.468 -0.742 1.00 0.37 H new ATOM 0 HG22 VAL A 115 8.045 -1.951 -1.575 1.00 0.37 H new ATOM 0 HG23 VAL A 115 8.678 -0.371 -2.092 1.00 0.37 H new ATOM 1861 N LYS A 116 9.358 -0.759 -4.253 1.00 0.50 N ATOM 1862 CA LYS A 116 10.505 0.009 -4.746 1.00 0.59 C ATOM 1863 C LYS A 116 10.875 -0.386 -6.177 1.00 0.69 C ATOM 1864 O LYS A 116 11.404 0.428 -6.922 1.00 0.85 O ATOM 1865 CB LYS A 116 11.702 -0.153 -3.795 1.00 0.76 C ATOM 1866 CG LYS A 116 12.218 -1.576 -3.669 1.00 1.16 C ATOM 1867 CD LYS A 116 13.280 -1.885 -4.708 1.00 0.92 C ATOM 1868 CE LYS A 116 13.317 -3.365 -5.020 1.00 0.80 C ATOM 1869 NZ LYS A 116 14.458 -3.715 -5.906 1.00 1.04 N ATOM 0 H LYS A 116 9.587 -1.450 -3.539 1.00 0.50 H new ATOM 0 HA LYS A 116 10.223 1.062 -4.769 1.00 0.59 H new ATOM 0 HB2 LYS A 116 12.515 0.485 -4.142 1.00 0.76 H new ATOM 0 HB3 LYS A 116 11.415 0.205 -2.806 1.00 0.76 H new ATOM 0 HG2 LYS A 116 12.631 -1.726 -2.671 1.00 1.16 H new ATOM 0 HG3 LYS A 116 11.388 -2.274 -3.779 1.00 1.16 H new ATOM 0 HD2 LYS A 116 13.077 -1.322 -5.619 1.00 0.92 H new ATOM 0 HD3 LYS A 116 14.255 -1.562 -4.344 1.00 0.92 H new ATOM 0 HE2 LYS A 116 13.392 -3.930 -4.091 1.00 0.80 H new ATOM 0 HE3 LYS A 116 12.382 -3.659 -5.498 1.00 0.80 H new ATOM 0 HZ1 LYS A 116 14.449 -4.737 -6.097 1.00 1.04 H new ATOM 0 HZ2 LYS A 116 14.374 -3.195 -6.803 1.00 1.04 H new ATOM 0 HZ3 LYS A 116 15.351 -3.458 -5.440 1.00 1.04 H new ATOM 1883 N LYS A 117 10.632 -1.632 -6.571 1.00 0.71 N ATOM 1884 CA LYS A 117 10.860 -2.006 -7.962 1.00 0.81 C ATOM 1885 C LYS A 117 9.792 -1.402 -8.880 1.00 0.79 C ATOM 1886 O LYS A 117 10.049 -1.177 -10.064 1.00 0.90 O ATOM 1887 CB LYS A 117 10.950 -3.524 -8.146 1.00 0.89 C ATOM 1888 CG LYS A 117 9.687 -4.289 -7.804 1.00 0.85 C ATOM 1889 CD LYS A 117 9.863 -5.765 -8.125 1.00 1.09 C ATOM 1890 CE LYS A 117 8.609 -6.574 -7.841 1.00 1.08 C ATOM 1891 NZ LYS A 117 8.785 -8.004 -8.207 1.00 1.48 N ATOM 0 H LYS A 117 10.288 -2.379 -5.968 1.00 0.71 H new ATOM 0 HA LYS A 117 11.827 -1.592 -8.248 1.00 0.81 H new ATOM 0 HB2 LYS A 117 11.214 -3.734 -9.183 1.00 0.89 H new ATOM 0 HB3 LYS A 117 11.764 -3.902 -7.527 1.00 0.89 H new ATOM 0 HG2 LYS A 117 9.453 -4.165 -6.747 1.00 0.85 H new ATOM 0 HG3 LYS A 117 8.845 -3.885 -8.366 1.00 0.85 H new ATOM 0 HD2 LYS A 117 10.133 -5.876 -9.175 1.00 1.09 H new ATOM 0 HD3 LYS A 117 10.690 -6.165 -7.539 1.00 1.09 H new ATOM 0 HE2 LYS A 117 8.358 -6.497 -6.783 1.00 1.08 H new ATOM 0 HE3 LYS A 117 7.771 -6.156 -8.399 1.00 1.08 H new ATOM 0 HZ1 LYS A 117 7.910 -8.526 -8.000 1.00 1.48 H new ATOM 0 HZ2 LYS A 117 9.000 -8.079 -9.222 1.00 1.48 H new ATOM 0 HZ3 LYS A 117 9.568 -8.409 -7.656 1.00 1.48 H new ATOM 1905 N TYR A 118 8.605 -1.130 -8.339 1.00 0.69 N ATOM 1906 CA TYR A 118 7.575 -0.421 -9.100 1.00 0.68 C ATOM 1907 C TYR A 118 7.882 1.073 -9.141 1.00 0.69 C ATOM 1908 O TYR A 118 8.188 1.628 -10.198 1.00 0.77 O ATOM 1909 CB TYR A 118 6.177 -0.633 -8.505 1.00 0.64 C ATOM 1910 CG TYR A 118 5.577 -2.005 -8.741 1.00 0.88 C ATOM 1911 CD1 TYR A 118 5.752 -2.650 -9.958 1.00 1.48 C ATOM 1912 CD2 TYR A 118 4.865 -2.668 -7.746 1.00 1.04 C ATOM 1913 CE1 TYR A 118 5.231 -3.910 -10.184 1.00 1.86 C ATOM 1914 CE2 TYR A 118 4.344 -3.931 -7.962 1.00 1.43 C ATOM 1915 CZ TYR A 118 4.421 -4.504 -9.166 1.00 1.73 C ATOM 1916 OH TYR A 118 4.016 -5.809 -9.407 1.00 2.21 O ATOM 0 H TYR A 118 8.334 -1.385 -7.389 1.00 0.69 H new ATOM 0 HA TYR A 118 7.582 -0.830 -10.110 1.00 0.68 H new ATOM 0 HB2 TYR A 118 6.226 -0.455 -7.431 1.00 0.64 H new ATOM 0 HB3 TYR A 118 5.505 0.117 -8.922 1.00 0.64 H new ATOM 0 HD1 TYR A 118 6.306 -2.157 -10.743 1.00 1.48 H new ATOM 0 HD2 TYR A 118 4.717 -2.189 -6.790 1.00 1.04 H new ATOM 0 HE1 TYR A 118 5.431 -4.434 -11.107 1.00 1.86 H new ATOM 0 HE2 TYR A 118 3.870 -4.460 -7.148 1.00 1.43 H new ATOM 0 HH TYR A 118 3.471 -6.126 -8.657 1.00 2.21 H new ATOM 1926 N LEU A 119 7.811 1.710 -7.980 1.00 0.66 N ATOM 1927 CA LEU A 119 8.075 3.136 -7.866 1.00 0.69 C ATOM 1928 C LEU A 119 9.226 3.339 -6.888 1.00 0.72 C ATOM 1929 O LEU A 119 9.031 3.315 -5.678 1.00 0.79 O ATOM 1930 CB LEU A 119 6.811 3.875 -7.393 1.00 0.71 C ATOM 1931 CG LEU A 119 6.749 5.381 -7.695 1.00 1.34 C ATOM 1932 CD1 LEU A 119 7.762 6.164 -6.869 1.00 2.00 C ATOM 1933 CD2 LEU A 119 6.965 5.633 -9.181 1.00 2.09 C ATOM 0 H LEU A 119 7.571 1.257 -7.098 1.00 0.66 H new ATOM 0 HA LEU A 119 8.351 3.545 -8.838 1.00 0.69 H new ATOM 0 HB2 LEU A 119 5.944 3.398 -7.851 1.00 0.71 H new ATOM 0 HB3 LEU A 119 6.718 3.738 -6.316 1.00 0.71 H new ATOM 0 HG LEU A 119 5.756 5.733 -7.417 1.00 1.34 H new ATOM 0 HD11 LEU A 119 7.687 7.224 -7.111 1.00 2.00 H new ATOM 0 HD12 LEU A 119 7.557 6.019 -5.808 1.00 2.00 H new ATOM 0 HD13 LEU A 119 8.768 5.810 -7.096 1.00 2.00 H new ATOM 0 HD21 LEU A 119 6.918 6.704 -9.379 1.00 2.09 H new ATOM 0 HD22 LEU A 119 7.942 5.252 -9.476 1.00 2.09 H new ATOM 0 HD23 LEU A 119 6.189 5.124 -9.753 1.00 2.09 H new ATOM 1945 N PRO A 120 10.447 3.507 -7.409 1.00 0.72 N ATOM 1946 CA PRO A 120 11.655 3.557 -6.596 1.00 0.75 C ATOM 1947 C PRO A 120 12.086 4.978 -6.207 1.00 0.77 C ATOM 1948 O PRO A 120 12.156 5.878 -7.055 1.00 0.92 O ATOM 1949 CB PRO A 120 12.682 2.947 -7.546 1.00 0.79 C ATOM 1950 CG PRO A 120 12.246 3.374 -8.913 1.00 0.78 C ATOM 1951 CD PRO A 120 10.759 3.633 -8.841 1.00 0.75 C ATOM 0 HA PRO A 120 11.527 3.050 -5.640 1.00 0.75 H new ATOM 0 HB2 PRO A 120 13.687 3.304 -7.323 1.00 0.79 H new ATOM 0 HB3 PRO A 120 12.703 1.861 -7.460 1.00 0.79 H new ATOM 0 HG2 PRO A 120 12.779 4.272 -9.225 1.00 0.78 H new ATOM 0 HG3 PRO A 120 12.468 2.600 -9.648 1.00 0.78 H new ATOM 0 HD2 PRO A 120 10.507 4.624 -9.219 1.00 0.75 H new ATOM 0 HD3 PRO A 120 10.199 2.913 -9.437 1.00 0.75 H new ATOM 1959 N LEU A 121 12.395 5.172 -4.932 1.00 0.70 N ATOM 1960 CA LEU A 121 12.953 6.425 -4.450 1.00 0.69 C ATOM 1961 C LEU A 121 14.370 6.211 -3.954 1.00 0.82 C ATOM 1962 O LEU A 121 15.334 6.712 -4.535 1.00 1.00 O ATOM 1963 CB LEU A 121 12.091 6.956 -3.317 1.00 0.55 C ATOM 1964 CG LEU A 121 12.738 7.974 -2.388 1.00 0.58 C ATOM 1965 CD1 LEU A 121 13.024 9.268 -3.118 1.00 1.23 C ATOM 1966 CD2 LEU A 121 11.846 8.203 -1.178 1.00 1.25 C ATOM 0 H LEU A 121 12.266 4.467 -4.206 1.00 0.70 H new ATOM 0 HA LEU A 121 12.971 7.146 -5.267 1.00 0.69 H new ATOM 0 HB2 LEU A 121 11.199 7.409 -3.751 1.00 0.55 H new ATOM 0 HB3 LEU A 121 11.759 6.109 -2.716 1.00 0.55 H new ATOM 0 HG LEU A 121 13.695 7.582 -2.043 1.00 0.58 H new ATOM 0 HD11 LEU A 121 13.486 9.978 -2.432 1.00 1.23 H new ATOM 0 HD12 LEU A 121 13.701 9.074 -3.950 1.00 1.23 H new ATOM 0 HD13 LEU A 121 12.091 9.685 -3.498 1.00 1.23 H new ATOM 0 HD21 LEU A 121 12.312 8.932 -0.515 1.00 1.25 H new ATOM 0 HD22 LEU A 121 10.877 8.578 -1.506 1.00 1.25 H new ATOM 0 HD23 LEU A 121 11.709 7.263 -0.644 1.00 1.25 H new ATOM 1978 N LYS A 122 14.482 5.448 -2.881 1.00 0.82 N ATOM 1979 CA LYS A 122 15.765 5.204 -2.243 1.00 1.05 C ATOM 1980 C LYS A 122 15.905 3.718 -1.950 1.00 1.07 C ATOM 1981 O LYS A 122 16.764 3.049 -2.510 1.00 1.32 O ATOM 1982 CB LYS A 122 15.884 5.999 -0.936 1.00 1.11 C ATOM 1983 CG LYS A 122 15.674 7.503 -1.082 1.00 1.18 C ATOM 1984 CD LYS A 122 16.848 8.189 -1.756 1.00 1.87 C ATOM 1985 CE LYS A 122 16.548 9.660 -1.996 1.00 2.07 C ATOM 1986 NZ LYS A 122 16.240 10.389 -0.733 1.00 2.78 N ATOM 0 H LYS A 122 13.694 4.983 -2.430 1.00 0.82 H new ATOM 0 HA LYS A 122 16.558 5.528 -2.917 1.00 1.05 H new ATOM 0 HB2 LYS A 122 15.155 5.612 -0.224 1.00 1.11 H new ATOM 0 HB3 LYS A 122 16.871 5.824 -0.509 1.00 1.11 H new ATOM 0 HG2 LYS A 122 14.769 7.686 -1.661 1.00 1.18 H new ATOM 0 HG3 LYS A 122 15.517 7.942 -0.097 1.00 1.18 H new ATOM 0 HD2 LYS A 122 17.738 8.091 -1.134 1.00 1.87 H new ATOM 0 HD3 LYS A 122 17.066 7.698 -2.704 1.00 1.87 H new ATOM 0 HE2 LYS A 122 17.403 10.128 -2.483 1.00 2.07 H new ATOM 0 HE3 LYS A 122 15.704 9.749 -2.679 1.00 2.07 H new ATOM 0 HZ1 LYS A 122 16.209 11.411 -0.921 1.00 2.78 H new ATOM 0 HZ2 LYS A 122 15.318 10.076 -0.368 1.00 2.78 H new ATOM 0 HZ3 LYS A 122 16.978 10.189 -0.028 1.00 2.78 H new ATOM 2000 N SER A 123 15.015 3.221 -1.095 1.00 0.92 N ATOM 2001 CA SER A 123 14.984 1.816 -0.672 1.00 1.00 C ATOM 2002 C SER A 123 16.349 1.322 -0.171 1.00 1.56 C ATOM 2003 O SER A 123 16.703 1.542 0.985 1.00 2.17 O ATOM 2004 CB SER A 123 14.426 0.907 -1.781 1.00 0.86 C ATOM 2005 OG SER A 123 15.113 1.082 -3.010 1.00 1.48 O ATOM 0 H SER A 123 14.283 3.788 -0.668 1.00 0.92 H new ATOM 0 HA SER A 123 14.303 1.760 0.177 1.00 1.00 H new ATOM 0 HB2 SER A 123 14.503 -0.134 -1.468 1.00 0.86 H new ATOM 0 HB3 SER A 123 13.367 1.120 -1.925 1.00 0.86 H new ATOM 0 HG SER A 123 15.912 1.630 -2.863 1.00 1.48 H new ATOM 2011 N ASN A 124 17.120 0.678 -1.041 1.00 2.15 N ATOM 2012 CA ASN A 124 18.414 0.127 -0.647 1.00 2.87 C ATOM 2013 C ASN A 124 19.523 1.153 -0.853 1.00 3.13 C ATOM 2014 O ASN A 124 20.662 0.956 -0.426 1.00 3.71 O ATOM 2015 CB ASN A 124 18.727 -1.146 -1.440 1.00 3.66 C ATOM 2016 CG ASN A 124 17.756 -2.276 -1.150 1.00 4.66 C ATOM 2017 OD1 ASN A 124 17.924 -3.025 -0.186 1.00 5.26 O ATOM 2018 ND2 ASN A 124 16.746 -2.424 -1.995 1.00 5.20 N ATOM 0 H ASN A 124 16.874 0.525 -2.019 1.00 2.15 H new ATOM 0 HA ASN A 124 18.362 -0.125 0.412 1.00 2.87 H new ATOM 0 HB2 ASN A 124 18.704 -0.919 -2.506 1.00 3.66 H new ATOM 0 HB3 ASN A 124 19.740 -1.474 -1.205 1.00 3.66 H new ATOM 0 HD21 ASN A 124 16.074 -3.179 -1.859 1.00 5.20 H new ATOM 0 HD22 ASN A 124 16.641 -1.783 -2.781 1.00 5.20 H new ATOM 2025 N LEU A 125 19.179 2.248 -1.511 1.00 3.30 N ATOM 2026 CA LEU A 125 20.125 3.319 -1.760 1.00 4.11 C ATOM 2027 C LEU A 125 20.027 4.359 -0.650 1.00 4.82 C ATOM 2028 O LEU A 125 19.306 5.352 -0.769 1.00 5.53 O ATOM 2029 CB LEU A 125 19.850 3.957 -3.126 1.00 4.53 C ATOM 2030 CG LEU A 125 20.832 5.041 -3.567 1.00 5.13 C ATOM 2031 CD1 LEU A 125 22.231 4.469 -3.719 1.00 5.75 C ATOM 2032 CD2 LEU A 125 20.363 5.665 -4.870 1.00 5.59 C ATOM 0 H LEU A 125 18.245 2.417 -1.884 1.00 3.30 H new ATOM 0 HA LEU A 125 21.136 2.912 -1.770 1.00 4.11 H new ATOM 0 HB2 LEU A 125 19.847 3.169 -3.879 1.00 4.53 H new ATOM 0 HB3 LEU A 125 18.848 4.386 -3.110 1.00 4.53 H new ATOM 0 HG LEU A 125 20.867 5.815 -2.800 1.00 5.13 H new ATOM 0 HD11 LEU A 125 22.914 5.258 -4.034 1.00 5.75 H new ATOM 0 HD12 LEU A 125 22.563 4.061 -2.764 1.00 5.75 H new ATOM 0 HD13 LEU A 125 22.221 3.677 -4.468 1.00 5.75 H new ATOM 0 HD21 LEU A 125 21.068 6.437 -5.178 1.00 5.59 H new ATOM 0 HD22 LEU A 125 20.306 4.897 -5.641 1.00 5.59 H new ATOM 0 HD23 LEU A 125 19.378 6.109 -4.727 1.00 5.59 H new ATOM 2044 N GLU A 126 20.720 4.095 0.447 1.00 5.03 N ATOM 2045 CA GLU A 126 20.699 4.983 1.597 1.00 6.01 C ATOM 2046 C GLU A 126 22.087 5.082 2.226 1.00 6.63 C ATOM 2047 O GLU A 126 22.736 4.070 2.496 1.00 6.74 O ATOM 2048 CB GLU A 126 19.673 4.489 2.627 1.00 6.68 C ATOM 2049 CG GLU A 126 19.959 3.088 3.158 1.00 7.19 C ATOM 2050 CD GLU A 126 18.854 2.550 4.045 1.00 8.09 C ATOM 2051 OE1 GLU A 126 18.301 3.316 4.862 1.00 8.65 O ATOM 2052 OE2 GLU A 126 18.545 1.341 3.942 1.00 8.43 O ATOM 0 H GLU A 126 21.306 3.269 0.564 1.00 5.03 H new ATOM 0 HA GLU A 126 20.406 5.978 1.263 1.00 6.01 H new ATOM 0 HB2 GLU A 126 19.648 5.187 3.464 1.00 6.68 H new ATOM 0 HB3 GLU A 126 18.682 4.500 2.173 1.00 6.68 H new ATOM 0 HG2 GLU A 126 20.104 2.410 2.317 1.00 7.19 H new ATOM 0 HG3 GLU A 126 20.893 3.103 3.720 1.00 7.19 H new ATOM 2059 N HIS A 127 22.559 6.302 2.422 1.00 7.33 N ATOM 2060 CA HIS A 127 23.824 6.527 3.103 1.00 8.24 C ATOM 2061 C HIS A 127 23.576 7.379 4.338 1.00 8.84 C ATOM 2062 O HIS A 127 23.968 7.014 5.445 1.00 8.87 O ATOM 2063 CB HIS A 127 24.833 7.209 2.172 1.00 8.80 C ATOM 2064 CG HIS A 127 26.238 7.258 2.714 1.00 9.00 C ATOM 2065 ND1 HIS A 127 27.337 7.566 1.939 1.00 9.40 N ATOM 2066 CD2 HIS A 127 26.719 7.042 3.963 1.00 9.14 C ATOM 2067 CE1 HIS A 127 28.425 7.531 2.684 1.00 9.73 C ATOM 2068 NE2 HIS A 127 28.078 7.219 3.916 1.00 9.58 N ATOM 0 H HIS A 127 22.085 7.153 2.119 1.00 7.33 H new ATOM 0 HA HIS A 127 24.247 5.567 3.400 1.00 8.24 H new ATOM 0 HB2 HIS A 127 24.842 6.684 1.217 1.00 8.80 H new ATOM 0 HB3 HIS A 127 24.497 8.226 1.973 1.00 8.80 H new ATOM 0 HD2 HIS A 127 26.138 6.779 4.835 1.00 9.14 H new ATOM 0 HE1 HIS A 127 29.431 7.725 2.342 1.00 9.73 H new ATOM 0 HE2 HIS A 127 28.716 7.125 4.706 1.00 9.58 H new ATOM 2077 N HIS A 128 22.923 8.515 4.146 1.00 9.55 N ATOM 2078 CA HIS A 128 22.523 9.344 5.273 1.00 10.37 C ATOM 2079 C HIS A 128 21.030 9.170 5.539 1.00 10.87 C ATOM 2080 O HIS A 128 20.182 9.693 4.817 1.00 11.49 O ATOM 2081 CB HIS A 128 22.907 10.827 5.072 1.00 11.23 C ATOM 2082 CG HIS A 128 22.311 11.510 3.868 1.00 11.65 C ATOM 2083 ND1 HIS A 128 22.871 11.447 2.610 1.00 12.20 N ATOM 2084 CD2 HIS A 128 21.219 12.304 3.748 1.00 11.83 C ATOM 2085 CE1 HIS A 128 22.150 12.171 1.772 1.00 12.67 C ATOM 2086 NE2 HIS A 128 21.142 12.701 2.437 1.00 12.47 N ATOM 0 H HIS A 128 22.661 8.881 3.231 1.00 9.55 H new ATOM 0 HA HIS A 128 23.071 9.011 6.154 1.00 10.37 H new ATOM 0 HB2 HIS A 128 22.611 11.382 5.962 1.00 11.23 H new ATOM 0 HB3 HIS A 128 23.993 10.894 5.002 1.00 11.23 H new ATOM 0 HD2 HIS A 128 20.535 12.574 4.539 1.00 11.83 H new ATOM 0 HE1 HIS A 128 22.352 12.306 0.720 1.00 12.67 H new ATOM 0 HE2 HIS A 128 20.423 13.307 2.041 1.00 12.47 H new ATOM 2095 N HIS A 129 20.722 8.390 6.561 1.00 10.78 N ATOM 2096 CA HIS A 129 19.343 8.112 6.929 1.00 11.47 C ATOM 2097 C HIS A 129 19.030 8.821 8.243 1.00 12.43 C ATOM 2098 O HIS A 129 19.819 8.761 9.189 1.00 12.92 O ATOM 2099 CB HIS A 129 19.134 6.599 7.062 1.00 11.24 C ATOM 2100 CG HIS A 129 17.712 6.154 6.893 1.00 11.36 C ATOM 2101 ND1 HIS A 129 16.922 5.737 7.941 1.00 11.57 N ATOM 2102 CD2 HIS A 129 16.947 6.038 5.780 1.00 11.54 C ATOM 2103 CE1 HIS A 129 15.734 5.385 7.483 1.00 11.86 C ATOM 2104 NE2 HIS A 129 15.722 5.559 6.173 1.00 11.85 N ATOM 0 H HIS A 129 21.414 7.934 7.155 1.00 10.78 H new ATOM 0 HA HIS A 129 18.668 8.480 6.156 1.00 11.47 H new ATOM 0 HB2 HIS A 129 19.751 6.092 6.320 1.00 11.24 H new ATOM 0 HB3 HIS A 129 19.488 6.280 8.042 1.00 11.24 H new ATOM 0 HD2 HIS A 129 17.246 6.278 4.770 1.00 11.54 H new ATOM 0 HE1 HIS A 129 14.912 5.017 8.078 1.00 11.86 H new ATOM 0 HE2 HIS A 129 14.933 5.369 5.556 1.00 11.85 H new ATOM 2113 N HIS A 130 17.896 9.501 8.301 1.00 12.86 N ATOM 2114 CA HIS A 130 17.577 10.342 9.448 1.00 13.91 C ATOM 2115 C HIS A 130 16.921 9.554 10.568 1.00 14.53 C ATOM 2116 O HIS A 130 15.798 9.070 10.431 1.00 14.74 O ATOM 2117 CB HIS A 130 16.670 11.504 9.041 1.00 14.42 C ATOM 2118 CG HIS A 130 17.370 12.577 8.266 1.00 15.19 C ATOM 2119 ND1 HIS A 130 16.714 13.654 7.712 1.00 15.61 N ATOM 2120 CD2 HIS A 130 18.681 12.745 7.969 1.00 15.79 C ATOM 2121 CE1 HIS A 130 17.591 14.438 7.109 1.00 16.39 C ATOM 2122 NE2 HIS A 130 18.789 13.906 7.252 1.00 16.51 N ATOM 0 H HIS A 130 17.183 9.489 7.572 1.00 12.86 H new ATOM 0 HA HIS A 130 18.523 10.736 9.818 1.00 13.91 H new ATOM 0 HB2 HIS A 130 15.846 11.116 8.443 1.00 14.42 H new ATOM 0 HB3 HIS A 130 16.234 11.943 9.938 1.00 14.42 H new ATOM 0 HD2 HIS A 130 19.490 12.086 8.246 1.00 15.79 H new ATOM 0 HE1 HIS A 130 17.365 15.357 6.588 1.00 16.39 H new ATOM 0 HE2 HIS A 130 19.657 14.297 6.887 1.00 16.51 H new ATOM 2131 N HIS A 131 17.639 9.422 11.674 1.00 14.97 N ATOM 2132 CA HIS A 131 17.074 8.854 12.886 1.00 15.74 C ATOM 2133 C HIS A 131 16.390 9.958 13.672 1.00 16.72 C ATOM 2134 O HIS A 131 17.053 10.792 14.286 1.00 17.05 O ATOM 2135 CB HIS A 131 18.158 8.184 13.745 1.00 15.86 C ATOM 2136 CG HIS A 131 17.640 7.572 15.022 1.00 16.30 C ATOM 2137 ND1 HIS A 131 17.314 6.238 15.140 1.00 16.54 N ATOM 2138 CD2 HIS A 131 17.393 8.121 16.239 1.00 16.69 C ATOM 2139 CE1 HIS A 131 16.893 5.992 16.367 1.00 17.06 C ATOM 2140 NE2 HIS A 131 16.931 7.117 17.052 1.00 17.15 N ATOM 0 H HIS A 131 18.616 9.702 11.755 1.00 14.97 H new ATOM 0 HA HIS A 131 16.350 8.086 12.613 1.00 15.74 H new ATOM 0 HB2 HIS A 131 18.646 7.408 13.155 1.00 15.86 H new ATOM 0 HB3 HIS A 131 18.920 8.924 13.992 1.00 15.86 H new ATOM 0 HD2 HIS A 131 17.534 9.155 16.516 1.00 16.69 H new ATOM 0 HE1 HIS A 131 16.572 5.032 16.745 1.00 17.06 H new ATOM 0 HE2 HIS A 131 16.660 7.224 18.030 1.00 17.15 H new ATOM 2149 N HIS A 132 15.074 9.978 13.632 1.00 17.28 N ATOM 2150 CA HIS A 132 14.315 10.987 14.347 1.00 18.32 C ATOM 2151 C HIS A 132 13.576 10.358 15.521 1.00 19.08 C ATOM 2152 O HIS A 132 14.170 10.285 16.613 1.00 19.24 O ATOM 2153 CB HIS A 132 13.348 11.732 13.408 1.00 18.50 C ATOM 2154 CG HIS A 132 12.533 10.849 12.502 1.00 18.62 C ATOM 2155 ND1 HIS A 132 11.321 10.308 12.866 1.00 18.99 N ATOM 2156 CD2 HIS A 132 12.762 10.427 11.235 1.00 18.56 C ATOM 2157 CE1 HIS A 132 10.840 9.594 11.867 1.00 19.14 C ATOM 2158 NE2 HIS A 132 11.694 9.648 10.865 1.00 18.89 N ATOM 2159 OXT HIS A 132 12.421 9.923 15.348 1.00 19.60 O ATOM 0 H HIS A 132 14.506 9.308 13.113 1.00 17.28 H new ATOM 0 HA HIS A 132 15.013 11.726 14.740 1.00 18.32 H new ATOM 0 HB2 HIS A 132 12.668 12.332 14.013 1.00 18.50 H new ATOM 0 HB3 HIS A 132 13.924 12.424 12.794 1.00 18.50 H new ATOM 0 HD1 HIS A 132 10.865 10.439 13.769 1.00 18.99 H new ATOM 0 HD2 HIS A 132 13.625 10.660 10.629 1.00 18.56 H new ATOM 0 HE1 HIS A 132 9.904 9.056 11.870 1.00 19.14 H new TER 2168 HIS A 132