USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 970 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 70 HIS : no HD1:sc= -0.225 K(o=-2.8,f=-4) USER MOD Set 1.2: A 95 HIS : no HD1:sc= -2.59! K(o=-2.8!,f=-2) USER MOD Set 1.3: A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 74 MET CE :methyl 155:sc= -1.3 (180deg=-2.84) USER MOD Set 2.2: A 78 LYS NZ :NH3+ -131:sc= 0.91 (180deg=0.048) USER MOD Set 3.1: A 20 LYS NZ :NH3+ -140:sc= 1.32 (180deg=0.582) USER MOD Set 3.2: A 30 ASN : amide:sc= 0 K(o=1.3,f=0.81) USER MOD Set 4.1: A 1 SER N :NH3+ 143:sc= 0.0625 (180deg=0.00217) USER MOD Set 4.2: A 86 MET CE :methyl 162:sc= -1.51 (180deg=-2.35) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= -0.0896 K(o=-0.09,f=-1.1) USER MOD Single : A 5 MET CE :methyl -176:sc= -0.356 (180deg=-0.362) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0.576 K(o=0.58,f=-0.31) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.939 K(o=0.94,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.447) USER MOD Single : A 21 LYS NZ :NH3+ -178:sc= 0.854 (180deg=0.83) USER MOD Single : A 23 MET CE :methyl -159:sc= -0.252 (180deg=-1.57) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -105:sc= 1.11 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.761 K(o=0.76,f=-0.57) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot -156:sc= 1.17 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 1.27 K(o=1.3,f=-8.2!) USER MOD Single : A 48 THR OG1 : rot -52:sc= 0.583 USER MOD Single : A 53 MET CE :methyl 154:sc= -0.352 (180deg=-3.49!) USER MOD Single : A 56 SER OG : rot 85:sc= 1.25 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.498 USER MOD Single : A 58 LYS NZ :NH3+ -174:sc= 1.2 (180deg=1.14) USER MOD Single : A 60 ASN : amide:sc= 0.0215 X(o=0.021,f=0) USER MOD Single : A 61 MET CE :methyl -154:sc= -0.302 (180deg=-0.476) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.542 K(o=-0.54,f=-2.6) USER MOD Single : A 72 ASN : amide:sc= -0.358 X(o=-0.36,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 158:sc= 0.965 (180deg=0.0852) USER MOD Single : A 80 HIS : no HE2:sc= -0.667 K(o=-0.67,f=-3.6!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.13) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.781 K(o=-0.78,f=-3.9!) USER MOD Single : A 107 LYS NZ :NH3+ -171:sc= 0.724 (180deg=0.662) USER MOD Single : A 111 THR OG1 : rot -14:sc= 0.267 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.00204 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.33) USER MOD Single : A 124 LYS NZ :NH3+ -149:sc= 1.2 (180deg=0.33) USER MOD Single : A 126 ASN : amide:sc= -0.0259 X(o=-0.026,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 14.300 -8.271 1.137 1.00 0.00 N ATOM 2 CA SER A 1 13.854 -9.159 2.219 1.00 0.00 C ATOM 3 C SER A 1 12.328 -9.200 2.229 1.00 0.00 C ATOM 4 O SER A 1 11.696 -8.168 2.458 1.00 0.00 O ATOM 5 CB SER A 1 14.423 -8.736 3.582 1.00 0.00 C ATOM 6 OG SER A 1 15.785 -8.351 3.495 1.00 0.00 O ATOM 0 H1 SER A 1 15.141 -7.743 1.446 1.00 0.00 H new ATOM 0 H2 SER A 1 14.535 -8.838 0.297 1.00 0.00 H new ATOM 0 H3 SER A 1 13.539 -7.602 0.901 1.00 0.00 H new ATOM 0 HA SER A 1 14.237 -10.163 2.034 1.00 0.00 H new ATOM 0 HB2 SER A 1 13.837 -7.907 3.977 1.00 0.00 H new ATOM 0 HB3 SER A 1 14.324 -9.561 4.287 1.00 0.00 H new ATOM 0 HG SER A 1 16.108 -8.088 4.382 1.00 0.00 H new ATOM 12 N GLN A 2 11.719 -10.359 1.968 1.00 0.00 N ATOM 13 CA GLN A 2 10.280 -10.552 2.116 1.00 0.00 C ATOM 14 C GLN A 2 9.841 -10.303 3.556 1.00 0.00 C ATOM 15 O GLN A 2 8.745 -9.788 3.750 1.00 0.00 O ATOM 16 CB GLN A 2 9.884 -11.964 1.660 1.00 0.00 C ATOM 17 CG GLN A 2 8.368 -12.248 1.772 1.00 0.00 C ATOM 18 CD GLN A 2 7.945 -13.033 3.013 1.00 0.00 C ATOM 19 OE1 GLN A 2 8.697 -13.214 3.962 1.00 0.00 O ATOM 20 NE2 GLN A 2 6.752 -13.607 3.023 1.00 0.00 N ATOM 0 H GLN A 2 12.214 -11.191 1.647 1.00 0.00 H new ATOM 0 HA GLN A 2 9.768 -9.827 1.483 1.00 0.00 H new ATOM 0 HB2 GLN A 2 10.196 -12.103 0.625 1.00 0.00 H new ATOM 0 HB3 GLN A 2 10.427 -12.696 2.258 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.835 -11.298 1.763 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.051 -12.800 0.887 1.00 0.00 H new ATOM 0 HE21 GLN A 2 6.112 -13.467 2.241 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.473 -14.189 3.813 1.00 0.00 H new ATOM 29 N GLU A 3 10.675 -10.620 4.551 1.00 0.00 N ATOM 30 CA GLU A 3 10.316 -10.434 5.951 1.00 0.00 C ATOM 31 C GLU A 3 9.996 -8.964 6.219 1.00 0.00 C ATOM 32 O GLU A 3 8.967 -8.649 6.810 1.00 0.00 O ATOM 33 CB GLU A 3 11.455 -10.932 6.845 1.00 0.00 C ATOM 34 CG GLU A 3 10.963 -11.097 8.294 1.00 0.00 C ATOM 35 CD GLU A 3 11.903 -11.975 9.120 1.00 0.00 C ATOM 36 OE1 GLU A 3 12.987 -11.505 9.533 1.00 0.00 O ATOM 37 OE2 GLU A 3 11.584 -13.168 9.328 1.00 0.00 O ATOM 0 H GLU A 3 11.607 -11.008 4.406 1.00 0.00 H new ATOM 0 HA GLU A 3 9.424 -11.016 6.181 1.00 0.00 H new ATOM 0 HB2 GLU A 3 11.831 -11.884 6.471 1.00 0.00 H new ATOM 0 HB3 GLU A 3 12.286 -10.227 6.814 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.878 -10.116 8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 3 9.966 -11.536 8.291 1.00 0.00 H new ATOM 44 N VAL A 4 10.837 -8.067 5.703 1.00 0.00 N ATOM 45 CA VAL A 4 10.626 -6.632 5.766 1.00 0.00 C ATOM 46 C VAL A 4 9.348 -6.274 5.018 1.00 0.00 C ATOM 47 O VAL A 4 8.527 -5.546 5.562 1.00 0.00 O ATOM 48 CB VAL A 4 11.853 -5.910 5.194 1.00 0.00 C ATOM 49 CG1 VAL A 4 11.621 -4.401 5.014 1.00 0.00 C ATOM 50 CG2 VAL A 4 13.099 -6.125 6.064 1.00 0.00 C ATOM 0 H VAL A 4 11.698 -8.329 5.222 1.00 0.00 H new ATOM 0 HA VAL A 4 10.505 -6.310 6.800 1.00 0.00 H new ATOM 0 HB VAL A 4 12.019 -6.353 4.212 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.521 -3.941 4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.789 -4.240 4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.388 -3.951 5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.945 -5.597 5.624 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.913 -5.741 7.067 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.325 -7.190 6.120 1.00 0.00 H new ATOM 60 N MET A 5 9.149 -6.734 3.780 1.00 0.00 N ATOM 61 CA MET A 5 7.963 -6.326 3.027 1.00 0.00 C ATOM 62 C MET A 5 6.684 -6.772 3.757 1.00 0.00 C ATOM 63 O MET A 5 5.734 -5.995 3.867 1.00 0.00 O ATOM 64 CB MET A 5 8.040 -6.835 1.582 1.00 0.00 C ATOM 65 CG MET A 5 7.537 -5.809 0.560 1.00 0.00 C ATOM 66 SD MET A 5 5.754 -5.459 0.546 1.00 0.00 S ATOM 67 CE MET A 5 5.731 -3.888 1.443 1.00 0.00 C ATOM 0 H MET A 5 9.776 -7.372 3.289 1.00 0.00 H new ATOM 0 HA MET A 5 7.927 -5.238 2.970 1.00 0.00 H new ATOM 0 HB2 MET A 5 9.072 -7.096 1.349 1.00 0.00 H new ATOM 0 HB3 MET A 5 7.452 -7.748 1.492 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.064 -4.871 0.735 1.00 0.00 H new ATOM 0 HG3 MET A 5 7.822 -6.154 -0.434 1.00 0.00 H new ATOM 0 HE1 MET A 5 4.700 -3.566 1.587 1.00 0.00 H new ATOM 0 HE2 MET A 5 6.210 -4.016 2.414 1.00 0.00 H new ATOM 0 HE3 MET A 5 6.270 -3.134 0.870 1.00 0.00 H new ATOM 77 N LYS A 6 6.691 -7.965 4.362 1.00 0.00 N ATOM 78 CA LYS A 6 5.654 -8.427 5.275 1.00 0.00 C ATOM 79 C LYS A 6 5.518 -7.441 6.435 1.00 0.00 C ATOM 80 O LYS A 6 4.412 -6.974 6.678 1.00 0.00 O ATOM 81 CB LYS A 6 5.976 -9.855 5.753 1.00 0.00 C ATOM 82 CG LYS A 6 4.871 -10.478 6.623 1.00 0.00 C ATOM 83 CD LYS A 6 3.752 -11.150 5.821 1.00 0.00 C ATOM 84 CE LYS A 6 4.250 -12.469 5.221 1.00 0.00 C ATOM 85 NZ LYS A 6 3.140 -13.310 4.736 1.00 0.00 N ATOM 0 H LYS A 6 7.437 -8.647 4.224 1.00 0.00 H new ATOM 0 HA LYS A 6 4.692 -8.467 4.763 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.144 -10.491 4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.907 -9.838 6.320 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.319 -11.215 7.289 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.437 -9.701 7.253 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.894 -11.337 6.466 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.414 -10.485 5.026 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.931 -12.258 4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.818 -13.017 5.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.521 -14.192 4.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.503 -13.534 5.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.612 -12.798 4.000 1.00 0.00 H new ATOM 99 N ASN A 7 6.602 -7.118 7.144 1.00 0.00 N ATOM 100 CA ASN A 7 6.631 -6.224 8.308 1.00 0.00 C ATOM 101 C ASN A 7 5.997 -4.876 7.995 1.00 0.00 C ATOM 102 O ASN A 7 5.187 -4.359 8.761 1.00 0.00 O ATOM 103 CB ASN A 7 8.097 -5.978 8.733 1.00 0.00 C ATOM 104 CG ASN A 7 8.213 -5.666 10.219 1.00 0.00 C ATOM 105 OD1 ASN A 7 7.656 -6.394 11.040 1.00 0.00 O ATOM 106 ND2 ASN A 7 8.958 -4.645 10.603 1.00 0.00 N ATOM 0 H ASN A 7 7.524 -7.487 6.914 1.00 0.00 H new ATOM 0 HA ASN A 7 6.066 -6.705 9.107 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.695 -6.859 8.499 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.508 -5.150 8.155 1.00 0.00 H new ATOM 0 HD21 ASN A 7 9.080 -4.448 11.596 1.00 0.00 H new ATOM 0 HD22 ASN A 7 9.411 -4.054 9.906 1.00 0.00 H new ATOM 113 N LEU A 8 6.380 -4.308 6.859 1.00 0.00 N ATOM 114 CA LEU A 8 5.943 -3.040 6.313 1.00 0.00 C ATOM 115 C LEU A 8 4.452 -3.110 6.028 1.00 0.00 C ATOM 116 O LEU A 8 3.688 -2.348 6.607 1.00 0.00 O ATOM 117 CB LEU A 8 6.746 -2.781 5.030 1.00 0.00 C ATOM 118 CG LEU A 8 8.123 -2.109 5.198 1.00 0.00 C ATOM 119 CD1 LEU A 8 7.991 -0.588 5.084 1.00 0.00 C ATOM 120 CD2 LEU A 8 8.909 -2.389 6.474 1.00 0.00 C ATOM 0 H LEU A 8 7.060 -4.763 6.250 1.00 0.00 H new ATOM 0 HA LEU A 8 6.113 -2.223 7.014 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.892 -3.734 4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.142 -2.158 4.370 1.00 0.00 H new ATOM 0 HG LEU A 8 8.695 -2.570 4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.972 -0.128 5.205 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.587 -0.330 4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.320 -0.222 5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.854 -1.847 6.445 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.329 -2.063 7.337 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.106 -3.458 6.553 1.00 0.00 H new ATOM 132 N SER A 9 4.031 -4.037 5.170 1.00 0.00 N ATOM 133 CA SER A 9 2.645 -4.242 4.770 1.00 0.00 C ATOM 134 C SER A 9 1.750 -4.592 5.976 1.00 0.00 C ATOM 135 O SER A 9 0.563 -4.256 5.984 1.00 0.00 O ATOM 136 CB SER A 9 2.679 -5.333 3.689 1.00 0.00 C ATOM 137 OG SER A 9 1.415 -5.832 3.305 1.00 0.00 O ATOM 0 H SER A 9 4.672 -4.689 4.719 1.00 0.00 H new ATOM 0 HA SER A 9 2.197 -3.334 4.367 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.179 -4.934 2.806 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.286 -6.163 4.051 1.00 0.00 H new ATOM 0 HG SER A 9 1.530 -6.518 2.615 1.00 0.00 H new ATOM 143 N LEU A 10 2.302 -5.216 7.021 1.00 0.00 N ATOM 144 CA LEU A 10 1.613 -5.578 8.243 1.00 0.00 C ATOM 145 C LEU A 10 1.312 -4.308 8.999 1.00 0.00 C ATOM 146 O LEU A 10 0.171 -4.041 9.377 1.00 0.00 O ATOM 147 CB LEU A 10 2.503 -6.525 9.078 1.00 0.00 C ATOM 148 CG LEU A 10 1.928 -6.843 10.466 1.00 0.00 C ATOM 149 CD1 LEU A 10 0.737 -7.797 10.356 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.987 -7.430 11.394 1.00 0.00 C ATOM 0 H LEU A 10 3.284 -5.490 7.029 1.00 0.00 H new ATOM 0 HA LEU A 10 0.682 -6.101 8.026 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.643 -7.457 8.530 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.488 -6.074 9.197 1.00 0.00 H new ATOM 0 HG LEU A 10 1.587 -5.902 10.898 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.346 -8.008 11.352 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.043 -7.336 9.750 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.058 -8.727 9.888 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.542 -7.642 12.366 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.376 -8.353 10.964 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.801 -6.715 11.516 1.00 0.00 H new ATOM 162 N ASN A 11 2.368 -3.546 9.244 1.00 0.00 N ATOM 163 CA ASN A 11 2.290 -2.338 10.030 1.00 0.00 C ATOM 164 C ASN A 11 1.471 -1.272 9.320 1.00 0.00 C ATOM 165 O ASN A 11 0.737 -0.521 9.952 1.00 0.00 O ATOM 166 CB ASN A 11 3.696 -1.840 10.333 1.00 0.00 C ATOM 167 CG ASN A 11 4.228 -2.486 11.604 1.00 0.00 C ATOM 168 OD1 ASN A 11 3.888 -2.071 12.707 1.00 0.00 O ATOM 169 ND2 ASN A 11 5.027 -3.529 11.479 1.00 0.00 N ATOM 0 H ASN A 11 3.305 -3.755 8.898 1.00 0.00 H new ATOM 0 HA ASN A 11 1.783 -2.559 10.969 1.00 0.00 H new ATOM 0 HB2 ASN A 11 4.357 -2.069 9.497 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.688 -0.756 10.445 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.375 -4.007 12.310 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.297 -3.857 10.551 1.00 0.00 H new ATOM 176 N PHE A 12 1.543 -1.249 7.994 1.00 0.00 N ATOM 177 CA PHE A 12 0.722 -0.416 7.143 1.00 0.00 C ATOM 178 C PHE A 12 -0.765 -0.650 7.426 1.00 0.00 C ATOM 179 O PHE A 12 -1.523 0.308 7.433 1.00 0.00 O ATOM 180 CB PHE A 12 1.100 -0.710 5.689 1.00 0.00 C ATOM 181 CG PHE A 12 0.277 0.006 4.639 1.00 0.00 C ATOM 182 CD1 PHE A 12 0.681 1.270 4.171 1.00 0.00 C ATOM 183 CD2 PHE A 12 -0.875 -0.601 4.103 1.00 0.00 C ATOM 184 CE1 PHE A 12 -0.090 1.952 3.220 1.00 0.00 C ATOM 185 CE2 PHE A 12 -1.631 0.070 3.128 1.00 0.00 C ATOM 186 CZ PHE A 12 -1.246 1.353 2.703 1.00 0.00 C ATOM 0 H PHE A 12 2.198 -1.831 7.471 1.00 0.00 H new ATOM 0 HA PHE A 12 0.901 0.640 7.346 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.148 -0.446 5.545 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.015 -1.784 5.521 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.590 1.717 4.547 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.177 -1.581 4.441 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.206 2.936 2.887 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.507 -0.399 2.705 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.844 1.880 1.974 1.00 0.00 H new ATOM 196 N GLY A 13 -1.180 -1.889 7.715 1.00 0.00 N ATOM 197 CA GLY A 13 -2.562 -2.250 8.006 1.00 0.00 C ATOM 198 C GLY A 13 -2.959 -2.092 9.477 1.00 0.00 C ATOM 199 O GLY A 13 -3.995 -2.639 9.869 1.00 0.00 O ATOM 0 H GLY A 13 -0.543 -2.685 7.752 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.222 -1.634 7.396 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.725 -3.285 7.707 1.00 0.00 H new ATOM 203 N LYS A 14 -2.175 -1.403 10.317 1.00 0.00 N ATOM 204 CA LYS A 14 -2.498 -1.253 11.738 1.00 0.00 C ATOM 205 C LYS A 14 -3.805 -0.491 11.926 1.00 0.00 C ATOM 206 O LYS A 14 -4.700 -1.006 12.600 1.00 0.00 O ATOM 207 CB LYS A 14 -1.340 -0.591 12.499 1.00 0.00 C ATOM 208 CG LYS A 14 -0.170 -1.560 12.740 1.00 0.00 C ATOM 209 CD LYS A 14 -0.071 -2.084 14.176 1.00 0.00 C ATOM 210 CE LYS A 14 -0.392 -3.571 14.337 1.00 0.00 C ATOM 211 NZ LYS A 14 -1.834 -3.898 14.371 1.00 0.00 N ATOM 0 H LYS A 14 -1.311 -0.941 10.034 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.639 -2.248 12.160 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.984 0.272 11.936 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.703 -0.218 13.457 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.270 -2.408 12.062 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.762 -1.056 12.484 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.938 -1.902 14.546 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.750 -1.509 14.806 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.070 -4.118 13.515 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.068 -3.929 15.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.972 -4.808 14.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.347 -3.152 14.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.198 -3.964 13.399 1.00 0.00 H new ATOM 225 N ALA A 15 -3.950 0.701 11.353 1.00 0.00 N ATOM 226 CA ALA A 15 -5.147 1.536 11.458 1.00 0.00 C ATOM 227 C ALA A 15 -6.255 1.108 10.481 1.00 0.00 C ATOM 228 O ALA A 15 -7.151 1.890 10.177 1.00 0.00 O ATOM 229 CB ALA A 15 -4.761 3.003 11.254 1.00 0.00 C ATOM 0 H ALA A 15 -3.217 1.127 10.786 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.563 1.406 12.457 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.651 3.628 11.332 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.042 3.300 12.017 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.315 3.128 10.267 1.00 0.00 H new ATOM 235 N LEU A 16 -6.205 -0.115 9.947 1.00 0.00 N ATOM 236 CA LEU A 16 -7.140 -0.582 8.928 1.00 0.00 C ATOM 237 C LEU A 16 -8.580 -0.495 9.427 1.00 0.00 C ATOM 238 O LEU A 16 -9.414 0.079 8.741 1.00 0.00 O ATOM 239 CB LEU A 16 -6.767 -2.018 8.540 1.00 0.00 C ATOM 240 CG LEU A 16 -7.781 -2.678 7.587 1.00 0.00 C ATOM 241 CD1 LEU A 16 -7.480 -2.322 6.129 1.00 0.00 C ATOM 242 CD2 LEU A 16 -7.820 -4.186 7.832 1.00 0.00 C ATOM 0 H LEU A 16 -5.509 -0.811 10.213 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.072 0.056 8.047 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.785 -2.015 8.068 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.684 -2.621 9.444 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.777 -2.287 7.795 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.212 -2.802 5.479 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.533 -1.241 6.000 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.480 -2.669 5.869 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.539 -4.646 7.155 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.831 -4.609 7.654 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.117 -4.380 8.863 1.00 0.00 H new ATOM 254 N ASP A 17 -8.900 -1.094 10.574 1.00 0.00 N ATOM 255 CA ASP A 17 -10.281 -1.137 11.067 1.00 0.00 C ATOM 256 C ASP A 17 -10.814 0.240 11.433 1.00 0.00 C ATOM 257 O ASP A 17 -12.005 0.520 11.313 1.00 0.00 O ATOM 258 CB ASP A 17 -10.346 -1.967 12.332 1.00 0.00 C ATOM 259 CG ASP A 17 -11.815 -2.281 12.591 1.00 0.00 C ATOM 260 OD1 ASP A 17 -12.439 -2.957 11.741 1.00 0.00 O ATOM 261 OD2 ASP A 17 -12.369 -1.744 13.575 1.00 0.00 O ATOM 0 H ASP A 17 -8.223 -1.557 11.181 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.879 -1.559 10.259 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.770 -2.886 12.219 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.915 -1.422 13.172 1.00 0.00 H new ATOM 266 N GLU A 18 -9.902 1.097 11.881 1.00 0.00 N ATOM 267 CA GLU A 18 -10.182 2.520 12.059 1.00 0.00 C ATOM 268 C GLU A 18 -10.670 3.072 10.722 1.00 0.00 C ATOM 269 O GLU A 18 -11.845 3.399 10.593 1.00 0.00 O ATOM 270 CB GLU A 18 -8.990 3.315 12.610 1.00 0.00 C ATOM 271 CG GLU A 18 -8.552 2.827 13.995 1.00 0.00 C ATOM 272 CD GLU A 18 -8.557 3.965 15.014 1.00 0.00 C ATOM 273 OE1 GLU A 18 -7.540 4.687 15.116 1.00 0.00 O ATOM 274 OE2 GLU A 18 -9.581 4.131 15.711 1.00 0.00 O ATOM 0 H GLU A 18 -8.951 0.827 12.131 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.954 2.632 12.820 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.152 3.234 11.918 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.256 4.371 12.667 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.219 2.033 14.331 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.552 2.398 13.932 1.00 0.00 H new ATOM 281 N CYS A 19 -9.809 3.077 9.702 1.00 0.00 N ATOM 282 CA CYS A 19 -10.137 3.551 8.363 1.00 0.00 C ATOM 283 C CYS A 19 -11.397 2.886 7.790 1.00 0.00 C ATOM 284 O CYS A 19 -12.160 3.531 7.075 1.00 0.00 O ATOM 285 CB CYS A 19 -8.953 3.232 7.430 1.00 0.00 C ATOM 286 SG CYS A 19 -7.488 4.269 7.602 1.00 0.00 S ATOM 0 H CYS A 19 -8.848 2.745 9.789 1.00 0.00 H new ATOM 0 HA CYS A 19 -10.329 4.622 8.430 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.658 2.196 7.596 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.302 3.303 6.400 1.00 0.00 H new ATOM 291 N LYS A 20 -11.638 1.603 8.077 1.00 0.00 N ATOM 292 CA LYS A 20 -12.833 0.896 7.678 1.00 0.00 C ATOM 293 C LYS A 20 -14.065 1.574 8.249 1.00 0.00 C ATOM 294 O LYS A 20 -14.977 1.848 7.481 1.00 0.00 O ATOM 295 CB LYS A 20 -12.756 -0.553 8.155 1.00 0.00 C ATOM 296 CG LYS A 20 -11.949 -1.492 7.248 1.00 0.00 C ATOM 297 CD LYS A 20 -11.571 -2.833 7.903 1.00 0.00 C ATOM 298 CE LYS A 20 -12.797 -3.488 8.534 1.00 0.00 C ATOM 299 NZ LYS A 20 -12.471 -4.535 9.522 1.00 0.00 N ATOM 0 H LYS A 20 -10.985 1.024 8.606 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.907 0.910 6.591 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.316 -0.569 9.152 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.769 -0.944 8.247 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.526 -1.692 6.345 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.037 -0.983 6.937 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.140 -3.500 7.156 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.807 -2.670 8.664 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.399 -2.719 9.018 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.411 -3.924 7.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.131 -5.332 9.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.498 -4.868 9.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.554 -4.144 10.482 1.00 0.00 H new ATOM 313 N LYS A 21 -14.137 1.815 9.560 1.00 0.00 N ATOM 314 CA LYS A 21 -15.305 2.491 10.117 1.00 0.00 C ATOM 315 C LYS A 21 -15.329 3.965 9.703 1.00 0.00 C ATOM 316 O LYS A 21 -16.416 4.501 9.512 1.00 0.00 O ATOM 317 CB LYS A 21 -15.377 2.313 11.644 1.00 0.00 C ATOM 318 CG LYS A 21 -16.049 0.995 12.071 1.00 0.00 C ATOM 319 CD LYS A 21 -15.102 -0.210 12.119 1.00 0.00 C ATOM 320 CE LYS A 21 -15.882 -1.481 12.484 1.00 0.00 C ATOM 321 NZ LYS A 21 -14.983 -2.599 12.843 1.00 0.00 N ATOM 0 H LYS A 21 -13.420 1.559 10.238 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.200 2.025 9.704 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.368 2.349 12.055 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.927 3.150 12.075 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.495 1.131 13.056 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.863 0.775 11.380 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.615 -0.338 11.152 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.315 -0.034 12.852 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.549 -1.270 13.320 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.509 -1.776 11.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.549 -3.447 13.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.340 -2.796 12.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.427 -2.341 13.683 1.00 0.00 H new ATOM 335 N GLU A 22 -14.178 4.618 9.540 1.00 0.00 N ATOM 336 CA GLU A 22 -14.098 6.036 9.191 1.00 0.00 C ATOM 337 C GLU A 22 -14.598 6.328 7.769 1.00 0.00 C ATOM 338 O GLU A 22 -15.163 7.394 7.520 1.00 0.00 O ATOM 339 CB GLU A 22 -12.646 6.518 9.329 1.00 0.00 C ATOM 340 CG GLU A 22 -12.203 6.702 10.793 1.00 0.00 C ATOM 341 CD GLU A 22 -11.070 7.709 11.010 1.00 0.00 C ATOM 342 OE1 GLU A 22 -10.238 7.912 10.098 1.00 0.00 O ATOM 343 OE2 GLU A 22 -10.953 8.255 12.133 1.00 0.00 O ATOM 0 H GLU A 22 -13.267 4.173 9.648 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.750 6.573 9.880 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.984 5.801 8.844 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.533 7.464 8.800 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.066 7.018 11.380 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.888 5.735 11.185 1.00 0.00 H new ATOM 350 N MET A 23 -14.372 5.410 6.827 1.00 0.00 N ATOM 351 CA MET A 23 -14.696 5.572 5.413 1.00 0.00 C ATOM 352 C MET A 23 -15.738 4.562 4.920 1.00 0.00 C ATOM 353 O MET A 23 -15.920 4.447 3.710 1.00 0.00 O ATOM 354 CB MET A 23 -13.414 5.456 4.574 1.00 0.00 C ATOM 355 CG MET A 23 -12.283 6.415 4.962 1.00 0.00 C ATOM 356 SD MET A 23 -11.423 7.188 3.567 1.00 0.00 S ATOM 357 CE MET A 23 -10.935 5.704 2.686 1.00 0.00 C ATOM 0 H MET A 23 -13.946 4.507 7.036 1.00 0.00 H new ATOM 0 HA MET A 23 -15.137 6.562 5.295 1.00 0.00 H new ATOM 0 HB2 MET A 23 -13.042 4.434 4.649 1.00 0.00 H new ATOM 0 HB3 MET A 23 -13.668 5.626 3.528 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.694 7.200 5.596 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.554 5.870 5.562 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.100 5.932 2.023 1.00 0.00 H new ATOM 0 HE2 MET A 23 -10.632 4.939 3.401 1.00 0.00 H new ATOM 0 HE3 MET A 23 -11.776 5.337 2.097 1.00 0.00 H new ATOM 367 N THR A 24 -16.373 3.799 5.811 1.00 0.00 N ATOM 368 CA THR A 24 -17.216 2.647 5.508 1.00 0.00 C ATOM 369 C THR A 24 -16.610 1.795 4.394 1.00 0.00 C ATOM 370 O THR A 24 -17.071 1.732 3.248 1.00 0.00 O ATOM 371 CB THR A 24 -18.679 3.064 5.335 1.00 0.00 C ATOM 372 OG1 THR A 24 -19.113 3.512 6.602 1.00 0.00 O ATOM 373 CG2 THR A 24 -19.589 1.892 4.947 1.00 0.00 C ATOM 0 H THR A 24 -16.308 3.979 6.813 1.00 0.00 H new ATOM 0 HA THR A 24 -17.241 1.969 6.361 1.00 0.00 H new ATOM 0 HB THR A 24 -18.736 3.814 4.546 1.00 0.00 H new ATOM 0 HG1 THR A 24 -20.050 3.794 6.546 1.00 0.00 H new ATOM 0 HG21 THR A 24 -20.614 2.247 4.838 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.251 1.466 4.003 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.550 1.129 5.724 1.00 0.00 H new ATOM 381 N LEU A 25 -15.539 1.106 4.776 1.00 0.00 N ATOM 382 CA LEU A 25 -14.991 0.009 4.013 1.00 0.00 C ATOM 383 C LEU A 25 -15.475 -1.263 4.699 1.00 0.00 C ATOM 384 O LEU A 25 -16.059 -1.225 5.788 1.00 0.00 O ATOM 385 CB LEU A 25 -13.461 0.116 3.915 1.00 0.00 C ATOM 386 CG LEU A 25 -12.946 1.552 3.675 1.00 0.00 C ATOM 387 CD1 LEU A 25 -11.426 1.545 3.564 1.00 0.00 C ATOM 388 CD2 LEU A 25 -13.534 2.201 2.413 1.00 0.00 C ATOM 0 H LEU A 25 -15.027 1.303 5.636 1.00 0.00 H new ATOM 0 HA LEU A 25 -15.329 0.015 2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.021 -0.268 4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.113 -0.524 3.104 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.271 2.144 4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.069 2.561 3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.996 1.158 4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.125 0.911 2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.133 3.208 2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.268 1.605 1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -14.619 2.251 2.501 1.00 0.00 H new ATOM 400 N THR A 26 -15.280 -2.390 4.042 1.00 0.00 N ATOM 401 CA THR A 26 -16.025 -3.600 4.320 1.00 0.00 C ATOM 402 C THR A 26 -15.146 -4.595 5.060 1.00 0.00 C ATOM 403 O THR A 26 -14.021 -4.308 5.475 1.00 0.00 O ATOM 404 CB THR A 26 -16.553 -4.106 2.966 1.00 0.00 C ATOM 405 OG1 THR A 26 -15.444 -4.329 2.115 1.00 0.00 O ATOM 406 CG2 THR A 26 -17.545 -3.118 2.346 1.00 0.00 C ATOM 0 H THR A 26 -14.594 -2.491 3.294 1.00 0.00 H new ATOM 0 HA THR A 26 -16.874 -3.433 4.983 1.00 0.00 H new ATOM 0 HB THR A 26 -17.099 -5.038 3.110 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.389 -3.608 1.454 1.00 0.00 H new ATOM 0 HG21 THR A 26 -17.897 -3.507 1.391 1.00 0.00 H new ATOM 0 HG22 THR A 26 -18.393 -2.983 3.018 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.052 -2.159 2.187 1.00 0.00 H new ATOM 414 N ASP A 27 -15.678 -5.797 5.204 1.00 0.00 N ATOM 415 CA ASP A 27 -14.906 -6.992 5.473 1.00 0.00 C ATOM 416 C ASP A 27 -14.484 -7.686 4.186 1.00 0.00 C ATOM 417 O ASP A 27 -13.637 -8.573 4.234 1.00 0.00 O ATOM 418 CB ASP A 27 -15.789 -7.947 6.285 1.00 0.00 C ATOM 419 CG ASP A 27 -15.473 -7.986 7.768 1.00 0.00 C ATOM 420 OD1 ASP A 27 -16.010 -7.122 8.500 1.00 0.00 O ATOM 421 OD2 ASP A 27 -14.768 -8.922 8.201 1.00 0.00 O ATOM 0 H ASP A 27 -16.681 -5.970 5.135 1.00 0.00 H new ATOM 0 HA ASP A 27 -14.003 -6.717 6.018 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.832 -7.656 6.156 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -15.686 -8.953 5.878 1.00 0.00 H new ATOM 426 N ALA A 28 -15.024 -7.306 3.029 1.00 0.00 N ATOM 427 CA ALA A 28 -14.635 -7.925 1.774 1.00 0.00 C ATOM 428 C ALA A 28 -13.178 -7.597 1.463 1.00 0.00 C ATOM 429 O ALA A 28 -12.471 -8.454 0.938 1.00 0.00 O ATOM 430 CB ALA A 28 -15.562 -7.429 0.668 1.00 0.00 C ATOM 0 H ALA A 28 -15.729 -6.575 2.940 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.724 -9.009 1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -15.277 -7.889 -0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.591 -7.698 0.907 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.481 -6.345 0.584 1.00 0.00 H new ATOM 436 N ILE A 29 -12.703 -6.402 1.835 1.00 0.00 N ATOM 437 CA ILE A 29 -11.290 -6.066 1.700 1.00 0.00 C ATOM 438 C ILE A 29 -10.437 -6.995 2.546 1.00 0.00 C ATOM 439 O ILE A 29 -9.300 -7.246 2.170 1.00 0.00 O ATOM 440 CB ILE A 29 -10.970 -4.610 2.091 1.00 0.00 C ATOM 441 CG1 ILE A 29 -11.381 -4.260 3.531 1.00 0.00 C ATOM 442 CG2 ILE A 29 -11.621 -3.642 1.111 1.00 0.00 C ATOM 443 CD1 ILE A 29 -10.947 -2.855 3.954 1.00 0.00 C ATOM 0 H ILE A 29 -13.278 -5.658 2.230 1.00 0.00 H new ATOM 0 HA ILE A 29 -11.056 -6.186 0.642 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.885 -4.512 2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.464 -4.343 3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.946 -4.989 4.214 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.386 -2.618 1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.242 -3.831 0.107 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.702 -3.783 1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.267 -2.669 4.979 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.862 -2.775 3.892 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.403 -2.119 3.292 1.00 0.00 H new ATOM 455 N ASN A 30 -10.944 -7.491 3.682 1.00 0.00 N ATOM 456 CA ASN A 30 -10.139 -8.285 4.572 1.00 0.00 C ATOM 457 C ASN A 30 -9.698 -9.538 3.841 1.00 0.00 C ATOM 458 O ASN A 30 -8.591 -9.995 4.086 1.00 0.00 O ATOM 459 CB ASN A 30 -10.896 -8.688 5.833 1.00 0.00 C ATOM 460 CG ASN A 30 -11.220 -7.566 6.804 1.00 0.00 C ATOM 461 OD1 ASN A 30 -10.857 -6.406 6.623 1.00 0.00 O ATOM 462 ND2 ASN A 30 -11.928 -7.900 7.861 1.00 0.00 N ATOM 0 H ASN A 30 -11.905 -7.348 3.991 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.284 -7.683 4.878 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.830 -9.165 5.535 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.309 -9.440 6.361 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.185 -7.191 8.548 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.220 -8.868 7.994 1.00 0.00 H new ATOM 469 N GLU A 31 -10.540 -10.063 2.948 1.00 0.00 N ATOM 470 CA GLU A 31 -10.293 -11.201 2.087 1.00 0.00 C ATOM 471 C GLU A 31 -9.235 -10.881 1.038 1.00 0.00 C ATOM 472 O GLU A 31 -8.330 -11.690 0.828 1.00 0.00 O ATOM 473 CB GLU A 31 -11.620 -11.548 1.416 1.00 0.00 C ATOM 474 CG GLU A 31 -11.772 -13.027 1.097 1.00 0.00 C ATOM 475 CD GLU A 31 -11.701 -13.355 -0.398 1.00 0.00 C ATOM 476 OE1 GLU A 31 -10.590 -13.453 -0.978 1.00 0.00 O ATOM 477 OE2 GLU A 31 -12.772 -13.596 -1.001 1.00 0.00 O ATOM 0 H GLU A 31 -11.471 -9.672 2.805 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.916 -12.041 2.670 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.438 -11.239 2.067 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.712 -10.975 0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.991 -13.582 1.617 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.727 -13.376 1.490 1.00 0.00 H new ATOM 484 N ASP A 32 -9.325 -9.700 0.413 1.00 0.00 N ATOM 485 CA ASP A 32 -8.327 -9.242 -0.549 1.00 0.00 C ATOM 486 C ASP A 32 -6.979 -9.217 0.177 1.00 0.00 C ATOM 487 O ASP A 32 -6.062 -9.944 -0.198 1.00 0.00 O ATOM 488 CB ASP A 32 -8.648 -7.863 -1.155 1.00 0.00 C ATOM 489 CG ASP A 32 -9.795 -7.798 -2.178 1.00 0.00 C ATOM 490 OD1 ASP A 32 -9.571 -8.055 -3.382 1.00 0.00 O ATOM 491 OD2 ASP A 32 -10.914 -7.389 -1.776 1.00 0.00 O ATOM 0 H ASP A 32 -10.090 -9.041 0.562 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.314 -9.927 -1.397 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.884 -7.181 -0.338 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.745 -7.486 -1.635 1.00 0.00 H new ATOM 496 N PHE A 33 -6.856 -8.453 1.264 1.00 0.00 N ATOM 497 CA PHE A 33 -5.633 -8.363 2.059 1.00 0.00 C ATOM 498 C PHE A 33 -5.194 -9.731 2.608 1.00 0.00 C ATOM 499 O PHE A 33 -3.985 -9.981 2.669 1.00 0.00 O ATOM 500 CB PHE A 33 -5.849 -7.347 3.196 1.00 0.00 C ATOM 501 CG PHE A 33 -5.788 -5.877 2.795 1.00 0.00 C ATOM 502 CD1 PHE A 33 -4.557 -5.234 2.554 1.00 0.00 C ATOM 503 CD2 PHE A 33 -6.968 -5.117 2.735 1.00 0.00 C ATOM 504 CE1 PHE A 33 -4.526 -3.854 2.272 1.00 0.00 C ATOM 505 CE2 PHE A 33 -6.946 -3.754 2.408 1.00 0.00 C ATOM 506 CZ PHE A 33 -5.721 -3.119 2.174 1.00 0.00 C ATOM 0 H PHE A 33 -7.615 -7.872 1.621 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.823 -8.022 1.414 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.821 -7.540 3.650 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.097 -7.526 3.965 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.637 -5.799 2.586 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.914 -5.594 2.946 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.578 -3.357 2.130 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.869 -3.197 2.337 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.693 -2.070 1.919 1.00 0.00 H new ATOM 516 N TYR A 34 -6.124 -10.630 2.953 1.00 0.00 N ATOM 517 CA TYR A 34 -5.838 -12.000 3.389 1.00 0.00 C ATOM 518 C TYR A 34 -5.056 -12.739 2.317 1.00 0.00 C ATOM 519 O TYR A 34 -4.117 -13.472 2.624 1.00 0.00 O ATOM 520 CB TYR A 34 -7.129 -12.809 3.643 1.00 0.00 C ATOM 521 CG TYR A 34 -7.224 -13.527 4.970 1.00 0.00 C ATOM 522 CD1 TYR A 34 -6.286 -14.524 5.302 1.00 0.00 C ATOM 523 CD2 TYR A 34 -8.311 -13.266 5.826 1.00 0.00 C ATOM 524 CE1 TYR A 34 -6.437 -15.271 6.482 1.00 0.00 C ATOM 525 CE2 TYR A 34 -8.463 -14.004 7.013 1.00 0.00 C ATOM 526 CZ TYR A 34 -7.537 -15.023 7.332 1.00 0.00 C ATOM 527 OH TYR A 34 -7.717 -15.758 8.457 1.00 0.00 O ATOM 0 H TYR A 34 -7.122 -10.418 2.936 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.269 -11.916 4.315 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.978 -12.131 3.560 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.231 -13.547 2.847 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.448 -14.715 4.647 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.028 -12.499 5.571 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.715 -16.032 6.738 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -9.286 -13.793 7.680 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.523 -15.451 8.923 1.00 0.00 H new ATOM 537 N ASN A 35 -5.468 -12.573 1.064 1.00 0.00 N ATOM 538 CA ASN A 35 -5.101 -13.457 -0.030 1.00 0.00 C ATOM 539 C ASN A 35 -4.217 -12.759 -1.052 1.00 0.00 C ATOM 540 O ASN A 35 -3.879 -13.361 -2.057 1.00 0.00 O ATOM 541 CB ASN A 35 -6.371 -14.024 -0.671 1.00 0.00 C ATOM 542 CG ASN A 35 -7.146 -14.901 0.295 1.00 0.00 C ATOM 543 OD1 ASN A 35 -6.545 -15.698 1.008 1.00 0.00 O ATOM 544 ND2 ASN A 35 -8.461 -14.778 0.355 1.00 0.00 N ATOM 0 H ASN A 35 -6.077 -11.806 0.779 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.509 -14.281 0.369 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.006 -13.204 -1.007 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.105 -14.604 -1.555 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.998 -15.353 1.004 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.939 -14.108 -0.248 1.00 0.00 H new ATOM 551 N PHE A 36 -3.808 -11.522 -0.795 1.00 0.00 N ATOM 552 CA PHE A 36 -2.994 -10.688 -1.668 1.00 0.00 C ATOM 553 C PHE A 36 -1.751 -11.441 -2.167 1.00 0.00 C ATOM 554 O PHE A 36 -1.415 -11.365 -3.346 1.00 0.00 O ATOM 555 CB PHE A 36 -2.672 -9.426 -0.842 1.00 0.00 C ATOM 556 CG PHE A 36 -1.917 -8.283 -1.497 1.00 0.00 C ATOM 557 CD1 PHE A 36 -0.595 -8.446 -1.950 1.00 0.00 C ATOM 558 CD2 PHE A 36 -2.505 -7.004 -1.545 1.00 0.00 C ATOM 559 CE1 PHE A 36 0.120 -7.345 -2.445 1.00 0.00 C ATOM 560 CE2 PHE A 36 -1.779 -5.904 -2.033 1.00 0.00 C ATOM 561 CZ PHE A 36 -0.457 -6.069 -2.470 1.00 0.00 C ATOM 0 H PHE A 36 -4.049 -11.049 0.076 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.513 -10.411 -2.585 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.616 -9.026 -0.473 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.098 -9.742 0.029 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.130 -9.420 -1.917 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.521 -6.868 -1.204 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.127 -7.483 -2.811 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.241 -4.929 -2.072 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.111 -5.221 -2.822 1.00 0.00 H new ATOM 571 N TRP A 37 -1.077 -12.197 -1.296 1.00 0.00 N ATOM 572 CA TRP A 37 0.168 -12.910 -1.591 1.00 0.00 C ATOM 573 C TRP A 37 -0.074 -14.340 -2.110 1.00 0.00 C ATOM 574 O TRP A 37 0.734 -15.236 -1.848 1.00 0.00 O ATOM 575 CB TRP A 37 1.055 -12.877 -0.333 1.00 0.00 C ATOM 576 CG TRP A 37 1.330 -11.499 0.192 1.00 0.00 C ATOM 577 CD1 TRP A 37 0.950 -10.992 1.383 1.00 0.00 C ATOM 578 CD2 TRP A 37 2.000 -10.409 -0.492 1.00 0.00 C ATOM 579 NE1 TRP A 37 1.300 -9.656 1.452 1.00 0.00 N ATOM 580 CE2 TRP A 37 1.955 -9.236 0.313 1.00 0.00 C ATOM 581 CE3 TRP A 37 2.626 -10.301 -1.740 1.00 0.00 C ATOM 582 CZ2 TRP A 37 2.491 -8.005 -0.119 1.00 0.00 C ATOM 583 CZ3 TRP A 37 3.176 -9.092 -2.181 1.00 0.00 C ATOM 584 CH2 TRP A 37 3.092 -7.935 -1.392 1.00 0.00 C ATOM 0 H TRP A 37 -1.393 -12.334 -0.336 1.00 0.00 H new ATOM 0 HA TRP A 37 0.685 -12.406 -2.408 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.575 -13.463 0.451 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.004 -13.363 -0.559 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.449 -11.545 2.164 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.098 -9.053 2.250 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.686 -11.171 -2.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.442 -7.132 0.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 3.671 -9.049 -3.140 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.485 -6.998 -1.757 1.00 0.00 H new ATOM 595 N LYS A 38 -1.204 -14.601 -2.771 1.00 0.00 N ATOM 596 CA LYS A 38 -1.503 -15.852 -3.441 1.00 0.00 C ATOM 597 C LYS A 38 -0.777 -15.852 -4.788 1.00 0.00 C ATOM 598 O LYS A 38 -0.219 -14.840 -5.218 1.00 0.00 O ATOM 599 CB LYS A 38 -3.021 -15.888 -3.687 1.00 0.00 C ATOM 600 CG LYS A 38 -3.872 -16.767 -2.764 1.00 0.00 C ATOM 601 CD LYS A 38 -3.601 -16.636 -1.255 1.00 0.00 C ATOM 602 CE LYS A 38 -2.629 -17.721 -0.794 1.00 0.00 C ATOM 603 NZ LYS A 38 -2.289 -17.624 0.642 1.00 0.00 N ATOM 0 H LYS A 38 -1.957 -13.918 -2.853 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.189 -16.712 -2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.396 -14.867 -3.617 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.187 -16.219 -4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.922 -16.536 -2.944 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.722 -17.808 -3.049 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.187 -15.651 -1.037 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.537 -16.718 -0.702 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.066 -18.700 -0.992 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.714 -17.655 -1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.627 -18.386 0.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.845 -16.703 0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.155 -17.715 1.211 1.00 0.00 H new ATOM 617 N GLU A 39 -0.864 -16.986 -5.470 1.00 0.00 N ATOM 618 CA GLU A 39 -0.575 -17.127 -6.869 1.00 0.00 C ATOM 619 C GLU A 39 -1.903 -16.980 -7.607 1.00 0.00 C ATOM 620 O GLU A 39 -2.779 -17.834 -7.486 1.00 0.00 O ATOM 621 CB GLU A 39 0.114 -18.501 -7.042 1.00 0.00 C ATOM 622 CG GLU A 39 0.173 -18.956 -8.495 1.00 0.00 C ATOM 623 CD GLU A 39 1.566 -19.417 -8.933 1.00 0.00 C ATOM 624 OE1 GLU A 39 2.482 -18.567 -8.956 1.00 0.00 O ATOM 625 OE2 GLU A 39 1.741 -20.577 -9.368 1.00 0.00 O ATOM 0 H GLU A 39 -1.151 -17.863 -5.034 1.00 0.00 H new ATOM 0 HA GLU A 39 0.102 -16.377 -7.279 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.127 -18.447 -6.642 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.421 -19.247 -6.454 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.534 -19.773 -8.641 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.149 -18.137 -9.138 1.00 0.00 H new ATOM 632 N GLY A 40 -2.092 -15.883 -8.334 1.00 0.00 N ATOM 633 CA GLY A 40 -3.175 -15.726 -9.310 1.00 0.00 C ATOM 634 C GLY A 40 -4.442 -15.091 -8.750 1.00 0.00 C ATOM 635 O GLY A 40 -5.535 -15.369 -9.246 1.00 0.00 O ATOM 0 H GLY A 40 -1.490 -15.063 -8.263 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.814 -15.117 -10.139 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.424 -16.705 -9.718 1.00 0.00 H new ATOM 639 N TYR A 41 -4.330 -14.281 -7.700 1.00 0.00 N ATOM 640 CA TYR A 41 -5.412 -13.480 -7.159 1.00 0.00 C ATOM 641 C TYR A 41 -5.453 -12.134 -7.884 1.00 0.00 C ATOM 642 O TYR A 41 -4.404 -11.565 -8.190 1.00 0.00 O ATOM 643 CB TYR A 41 -5.117 -13.286 -5.669 1.00 0.00 C ATOM 644 CG TYR A 41 -6.307 -12.819 -4.873 1.00 0.00 C ATOM 645 CD1 TYR A 41 -6.750 -11.489 -4.983 1.00 0.00 C ATOM 646 CD2 TYR A 41 -6.962 -13.719 -4.013 1.00 0.00 C ATOM 647 CE1 TYR A 41 -7.869 -11.068 -4.245 1.00 0.00 C ATOM 648 CE2 TYR A 41 -8.112 -13.309 -3.317 1.00 0.00 C ATOM 649 CZ TYR A 41 -8.578 -11.981 -3.428 1.00 0.00 C ATOM 650 OH TYR A 41 -9.664 -11.579 -2.717 1.00 0.00 O ATOM 0 H TYR A 41 -3.454 -14.164 -7.190 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.380 -13.963 -7.293 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.759 -14.228 -5.253 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.310 -12.562 -5.559 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.234 -10.796 -5.630 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.582 -14.722 -3.888 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -8.191 -10.039 -4.302 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -8.642 -14.014 -2.694 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.799 -12.182 -1.957 1.00 0.00 H new ATOM 660 N GLU A 42 -6.638 -11.560 -8.106 1.00 0.00 N ATOM 661 CA GLU A 42 -6.804 -10.217 -8.598 1.00 0.00 C ATOM 662 C GLU A 42 -7.618 -9.381 -7.612 1.00 0.00 C ATOM 663 O GLU A 42 -8.650 -9.801 -7.080 1.00 0.00 O ATOM 664 CB GLU A 42 -7.462 -10.326 -9.969 1.00 0.00 C ATOM 665 CG GLU A 42 -7.631 -8.989 -10.668 1.00 0.00 C ATOM 666 CD GLU A 42 -6.394 -8.478 -11.426 1.00 0.00 C ATOM 667 OE1 GLU A 42 -5.242 -8.819 -11.058 1.00 0.00 O ATOM 668 OE2 GLU A 42 -6.586 -7.717 -12.403 1.00 0.00 O ATOM 0 H GLU A 42 -7.522 -12.040 -7.940 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.848 -9.703 -8.697 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.863 -10.983 -10.599 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.440 -10.795 -9.858 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.460 -9.069 -11.372 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.914 -8.243 -9.925 1.00 0.00 H new ATOM 675 N ILE A 43 -7.129 -8.166 -7.394 1.00 0.00 N ATOM 676 CA ILE A 43 -7.691 -7.147 -6.538 1.00 0.00 C ATOM 677 C ILE A 43 -8.366 -6.179 -7.503 1.00 0.00 C ATOM 678 O ILE A 43 -7.674 -5.444 -8.212 1.00 0.00 O ATOM 679 CB ILE A 43 -6.565 -6.498 -5.703 1.00 0.00 C ATOM 680 CG1 ILE A 43 -5.923 -7.530 -4.761 1.00 0.00 C ATOM 681 CG2 ILE A 43 -7.107 -5.321 -4.871 1.00 0.00 C ATOM 682 CD1 ILE A 43 -4.559 -7.093 -4.221 1.00 0.00 C ATOM 0 H ILE A 43 -6.270 -7.853 -7.845 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.410 -7.519 -5.808 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.812 -6.127 -6.398 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.595 -7.714 -3.923 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.810 -8.475 -5.292 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.295 -4.881 -4.292 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.528 -4.568 -5.537 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.882 -5.680 -4.194 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.163 -7.867 -3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.872 -6.937 -5.052 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.670 -6.164 -3.662 1.00 0.00 H new ATOM 694 N LYS A 44 -9.698 -6.206 -7.586 1.00 0.00 N ATOM 695 CA LYS A 44 -10.465 -5.181 -8.308 1.00 0.00 C ATOM 696 C LYS A 44 -11.390 -4.395 -7.378 1.00 0.00 C ATOM 697 O LYS A 44 -11.924 -3.367 -7.791 1.00 0.00 O ATOM 698 CB LYS A 44 -11.202 -5.780 -9.517 1.00 0.00 C ATOM 699 CG LYS A 44 -10.209 -5.957 -10.677 1.00 0.00 C ATOM 700 CD LYS A 44 -10.821 -6.524 -11.957 1.00 0.00 C ATOM 701 CE LYS A 44 -11.234 -7.986 -11.762 1.00 0.00 C ATOM 702 NZ LYS A 44 -11.251 -8.735 -13.032 1.00 0.00 N ATOM 0 H LYS A 44 -10.274 -6.932 -7.159 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.754 -4.456 -8.704 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.643 -6.740 -9.250 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.020 -5.127 -9.819 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.758 -4.991 -10.903 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.404 -6.616 -10.352 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.690 -5.931 -12.243 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.102 -6.450 -12.773 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.545 -8.467 -11.068 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.223 -8.024 -11.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.536 -9.719 -12.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.928 -8.293 -13.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.301 -8.722 -13.455 1.00 0.00 H new ATOM 716 N ASN A 45 -11.512 -4.835 -6.124 1.00 0.00 N ATOM 717 CA ASN A 45 -12.217 -4.171 -5.038 1.00 0.00 C ATOM 718 C ASN A 45 -11.821 -2.701 -4.954 1.00 0.00 C ATOM 719 O ASN A 45 -10.675 -2.378 -4.647 1.00 0.00 O ATOM 720 CB ASN A 45 -11.880 -4.892 -3.727 1.00 0.00 C ATOM 721 CG ASN A 45 -12.851 -4.522 -2.623 1.00 0.00 C ATOM 722 OD1 ASN A 45 -13.552 -3.518 -2.705 1.00 0.00 O ATOM 723 ND2 ASN A 45 -12.904 -5.321 -1.576 1.00 0.00 N ATOM 0 H ASN A 45 -11.095 -5.717 -5.827 1.00 0.00 H new ATOM 0 HA ASN A 45 -13.291 -4.213 -5.220 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.903 -5.970 -3.887 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -10.865 -4.637 -3.421 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -13.540 -5.112 -0.806 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.309 -6.149 -1.535 1.00 0.00 H new ATOM 730 N ARG A 46 -12.751 -1.784 -5.217 1.00 0.00 N ATOM 731 CA ARG A 46 -12.486 -0.362 -5.088 1.00 0.00 C ATOM 732 C ARG A 46 -12.191 -0.007 -3.628 1.00 0.00 C ATOM 733 O ARG A 46 -11.469 0.959 -3.362 1.00 0.00 O ATOM 734 CB ARG A 46 -13.704 0.369 -5.680 1.00 0.00 C ATOM 735 CG ARG A 46 -13.730 1.855 -5.346 1.00 0.00 C ATOM 736 CD ARG A 46 -14.968 2.543 -5.925 1.00 0.00 C ATOM 737 NE ARG A 46 -14.960 3.973 -5.606 1.00 0.00 N ATOM 738 CZ ARG A 46 -15.278 4.515 -4.427 1.00 0.00 C ATOM 739 NH1 ARG A 46 -15.844 3.813 -3.450 1.00 0.00 N ATOM 740 NH2 ARG A 46 -15.012 5.792 -4.228 1.00 0.00 N ATOM 0 H ARG A 46 -13.698 -2.008 -5.522 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.596 -0.052 -5.635 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.703 0.246 -6.763 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.616 -0.097 -5.307 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.714 1.985 -4.264 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.832 2.332 -5.738 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.994 2.406 -7.006 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.869 2.080 -5.523 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.687 4.613 -6.352 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.051 2.824 -3.587 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.072 4.264 -2.564 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.573 6.343 -4.966 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.245 6.229 -3.336 1.00 0.00 H new ATOM 754 N GLU A 47 -12.738 -0.764 -2.676 1.00 0.00 N ATOM 755 CA GLU A 47 -12.581 -0.453 -1.265 1.00 0.00 C ATOM 756 C GLU A 47 -11.159 -0.733 -0.791 1.00 0.00 C ATOM 757 O GLU A 47 -10.722 -0.057 0.142 1.00 0.00 O ATOM 758 CB GLU A 47 -13.570 -1.251 -0.414 1.00 0.00 C ATOM 759 CG GLU A 47 -15.034 -0.923 -0.739 1.00 0.00 C ATOM 760 CD GLU A 47 -15.924 -2.164 -0.843 1.00 0.00 C ATOM 761 OE1 GLU A 47 -15.679 -3.188 -0.165 1.00 0.00 O ATOM 762 OE2 GLU A 47 -16.914 -2.099 -1.599 1.00 0.00 O ATOM 0 H GLU A 47 -13.294 -1.598 -2.863 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.787 0.611 -1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.398 -2.316 -0.568 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.382 -1.047 0.640 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.431 -0.263 0.032 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.076 -0.374 -1.680 1.00 0.00 H new ATOM 769 N THR A 48 -10.422 -1.677 -1.398 1.00 0.00 N ATOM 770 CA THR A 48 -9.046 -1.908 -0.980 1.00 0.00 C ATOM 771 C THR A 48 -8.227 -0.665 -1.328 1.00 0.00 C ATOM 772 O THR A 48 -7.499 -0.156 -0.481 1.00 0.00 O ATOM 773 CB THR A 48 -8.424 -3.163 -1.588 1.00 0.00 C ATOM 774 OG1 THR A 48 -8.418 -3.096 -2.993 1.00 0.00 O ATOM 775 CG2 THR A 48 -9.027 -4.489 -1.166 1.00 0.00 C ATOM 0 H THR A 48 -10.751 -2.273 -2.158 1.00 0.00 H new ATOM 0 HA THR A 48 -9.044 -2.085 0.096 1.00 0.00 H new ATOM 0 HB THR A 48 -7.413 -3.157 -1.181 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.321 -2.894 -3.315 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.501 -5.303 -1.664 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.934 -4.604 -0.086 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.081 -4.514 -1.444 1.00 0.00 H new ATOM 783 N GLY A 49 -8.419 -0.122 -2.535 1.00 0.00 N ATOM 784 CA GLY A 49 -7.822 1.121 -2.990 1.00 0.00 C ATOM 785 C GLY A 49 -8.016 2.230 -1.961 1.00 0.00 C ATOM 786 O GLY A 49 -7.047 2.853 -1.532 1.00 0.00 O ATOM 0 H GLY A 49 -9.015 -0.556 -3.239 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.758 0.972 -3.173 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.270 1.418 -3.938 1.00 0.00 H new ATOM 790 N CYS A 50 -9.251 2.462 -1.514 1.00 0.00 N ATOM 791 CA CYS A 50 -9.499 3.465 -0.489 1.00 0.00 C ATOM 792 C CYS A 50 -8.942 3.093 0.893 1.00 0.00 C ATOM 793 O CYS A 50 -8.537 3.992 1.629 1.00 0.00 O ATOM 794 CB CYS A 50 -10.977 3.851 -0.435 1.00 0.00 C ATOM 795 SG CYS A 50 -11.172 5.574 -0.945 1.00 0.00 S ATOM 0 H CYS A 50 -10.083 1.973 -1.844 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.935 4.348 -0.789 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.558 3.200 -1.088 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.362 3.714 0.575 1.00 0.00 H new ATOM 800 N ALA A 51 -8.867 1.810 1.261 1.00 0.00 N ATOM 801 CA ALA A 51 -8.216 1.392 2.502 1.00 0.00 C ATOM 802 C ALA A 51 -6.749 1.812 2.476 1.00 0.00 C ATOM 803 O ALA A 51 -6.282 2.484 3.394 1.00 0.00 O ATOM 804 CB ALA A 51 -8.351 -0.121 2.728 1.00 0.00 C ATOM 0 H ALA A 51 -9.252 1.041 0.712 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.714 1.885 3.337 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.856 -0.395 3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.406 -0.387 2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.887 -0.656 1.899 1.00 0.00 H new ATOM 810 N ILE A 52 -6.042 1.445 1.406 1.00 0.00 N ATOM 811 CA ILE A 52 -4.641 1.772 1.169 1.00 0.00 C ATOM 812 C ILE A 52 -4.476 3.296 1.247 1.00 0.00 C ATOM 813 O ILE A 52 -3.572 3.781 1.929 1.00 0.00 O ATOM 814 CB ILE A 52 -4.203 1.150 -0.183 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.293 -0.393 -0.134 1.00 0.00 C ATOM 816 CG2 ILE A 52 -2.785 1.550 -0.635 1.00 0.00 C ATOM 817 CD1 ILE A 52 -4.202 -1.041 -1.516 1.00 0.00 C ATOM 0 H ILE A 52 -6.449 0.890 0.653 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.983 1.348 1.928 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.900 1.556 -0.916 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.491 -0.778 0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.233 -0.682 0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.559 1.072 -1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.732 2.633 -0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.060 1.229 0.113 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.271 -2.124 -1.415 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.020 -0.682 -2.141 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.250 -0.780 -1.978 1.00 0.00 H new ATOM 829 N MET A 53 -5.362 4.063 0.607 1.00 0.00 N ATOM 830 CA MET A 53 -5.321 5.521 0.599 1.00 0.00 C ATOM 831 C MET A 53 -5.402 6.085 2.023 1.00 0.00 C ATOM 832 O MET A 53 -4.551 6.887 2.422 1.00 0.00 O ATOM 833 CB MET A 53 -6.452 6.034 -0.306 1.00 0.00 C ATOM 834 CG MET A 53 -6.524 7.554 -0.347 1.00 0.00 C ATOM 835 SD MET A 53 -7.888 8.182 0.669 1.00 0.00 S ATOM 836 CE MET A 53 -9.127 8.241 -0.634 1.00 0.00 C ATOM 0 H MET A 53 -6.140 3.678 0.072 1.00 0.00 H new ATOM 0 HA MET A 53 -4.369 5.868 0.197 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.305 5.653 -1.317 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.404 5.638 0.048 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.582 7.974 0.007 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.654 7.886 -1.377 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.121 8.149 -0.196 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.051 9.190 -1.165 1.00 0.00 H new ATOM 0 HE3 MET A 53 -8.961 7.420 -1.332 1.00 0.00 H new ATOM 846 N CYS A 54 -6.394 5.651 2.806 1.00 0.00 N ATOM 847 CA CYS A 54 -6.549 6.068 4.197 1.00 0.00 C ATOM 848 C CYS A 54 -5.292 5.729 4.997 1.00 0.00 C ATOM 849 O CYS A 54 -4.689 6.612 5.607 1.00 0.00 O ATOM 850 CB CYS A 54 -7.791 5.422 4.817 1.00 0.00 C ATOM 851 SG CYS A 54 -8.062 5.894 6.541 1.00 0.00 S ATOM 0 H CYS A 54 -7.112 4.999 2.490 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.686 7.149 4.225 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.667 5.699 4.230 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.696 4.338 4.756 1.00 0.00 H new ATOM 856 N LEU A 55 -4.869 4.463 4.955 1.00 0.00 N ATOM 857 CA LEU A 55 -3.719 3.955 5.694 1.00 0.00 C ATOM 858 C LEU A 55 -2.475 4.788 5.397 1.00 0.00 C ATOM 859 O LEU A 55 -1.777 5.193 6.321 1.00 0.00 O ATOM 860 CB LEU A 55 -3.484 2.477 5.351 1.00 0.00 C ATOM 861 CG LEU A 55 -4.534 1.532 5.967 1.00 0.00 C ATOM 862 CD1 LEU A 55 -4.347 0.120 5.400 1.00 0.00 C ATOM 863 CD2 LEU A 55 -4.470 1.533 7.499 1.00 0.00 C ATOM 0 H LEU A 55 -5.330 3.749 4.392 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.926 4.034 6.761 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.490 2.358 4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.493 2.184 5.699 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.527 1.893 5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.090 -0.548 5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.471 0.143 4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.347 -0.240 5.643 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.226 0.855 7.895 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.482 1.204 7.822 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.657 2.541 7.870 1.00 0.00 H new ATOM 875 N SER A 56 -2.225 5.101 4.125 1.00 0.00 N ATOM 876 CA SER A 56 -1.146 5.990 3.707 1.00 0.00 C ATOM 877 C SER A 56 -1.199 7.307 4.483 1.00 0.00 C ATOM 878 O SER A 56 -0.241 7.623 5.186 1.00 0.00 O ATOM 879 CB SER A 56 -1.190 6.221 2.196 1.00 0.00 C ATOM 880 OG SER A 56 -1.254 4.973 1.532 1.00 0.00 O ATOM 0 H SER A 56 -2.775 4.738 3.347 1.00 0.00 H new ATOM 0 HA SER A 56 -0.194 5.512 3.937 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.056 6.829 1.935 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.306 6.771 1.875 1.00 0.00 H new ATOM 0 HG SER A 56 -2.187 4.677 1.482 1.00 0.00 H new ATOM 886 N THR A 57 -2.316 8.041 4.444 1.00 0.00 N ATOM 887 CA THR A 57 -2.486 9.239 5.263 1.00 0.00 C ATOM 888 C THR A 57 -2.148 8.954 6.729 1.00 0.00 C ATOM 889 O THR A 57 -1.327 9.669 7.302 1.00 0.00 O ATOM 890 CB THR A 57 -3.909 9.798 5.113 1.00 0.00 C ATOM 891 OG1 THR A 57 -3.930 10.596 3.955 1.00 0.00 O ATOM 892 CG2 THR A 57 -4.348 10.690 6.271 1.00 0.00 C ATOM 0 H THR A 57 -3.117 7.823 3.851 1.00 0.00 H new ATOM 0 HA THR A 57 -1.789 9.999 4.909 1.00 0.00 H new ATOM 0 HB THR A 57 -4.585 8.944 5.077 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.828 10.967 3.830 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.363 11.046 6.092 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.322 10.120 7.200 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.673 11.543 6.350 1.00 0.00 H new ATOM 900 N LYS A 58 -2.780 7.939 7.322 1.00 0.00 N ATOM 901 CA LYS A 58 -2.719 7.656 8.751 1.00 0.00 C ATOM 902 C LYS A 58 -1.317 7.286 9.235 1.00 0.00 C ATOM 903 O LYS A 58 -1.029 7.432 10.419 1.00 0.00 O ATOM 904 CB LYS A 58 -3.709 6.549 9.080 1.00 0.00 C ATOM 905 CG LYS A 58 -5.162 7.040 8.956 1.00 0.00 C ATOM 906 CD LYS A 58 -5.929 6.593 10.196 1.00 0.00 C ATOM 907 CE LYS A 58 -7.400 6.990 10.149 1.00 0.00 C ATOM 908 NZ LYS A 58 -7.673 8.303 10.760 1.00 0.00 N ATOM 0 H LYS A 58 -3.361 7.278 6.807 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.984 8.572 9.279 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.550 5.705 8.409 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.530 6.188 10.093 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.189 8.126 8.865 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.624 6.633 8.057 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.852 5.510 10.296 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.467 7.029 11.082 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.731 7.005 9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.990 6.230 10.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.700 8.467 10.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.294 8.321 11.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.218 9.049 10.197 1.00 0.00 H new ATOM 922 N LEU A 59 -0.431 6.828 8.348 1.00 0.00 N ATOM 923 CA LEU A 59 0.970 6.536 8.667 1.00 0.00 C ATOM 924 C LEU A 59 1.839 7.796 8.614 1.00 0.00 C ATOM 925 O LEU A 59 3.044 7.728 8.884 1.00 0.00 O ATOM 926 CB LEU A 59 1.514 5.467 7.709 1.00 0.00 C ATOM 927 CG LEU A 59 0.791 4.116 7.907 1.00 0.00 C ATOM 928 CD1 LEU A 59 0.929 3.270 6.647 1.00 0.00 C ATOM 929 CD2 LEU A 59 1.326 3.339 9.115 1.00 0.00 C ATOM 0 H LEU A 59 -0.669 6.647 7.373 1.00 0.00 H new ATOM 0 HA LEU A 59 1.009 6.157 9.688 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.389 5.801 6.679 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.583 5.337 7.875 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.260 4.333 8.100 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.418 2.318 6.790 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.483 3.798 5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.985 3.088 6.445 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.785 2.397 9.211 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.388 3.135 8.975 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.186 3.931 10.019 1.00 0.00 H new ATOM 941 N ASN A 60 1.233 8.928 8.252 1.00 0.00 N ATOM 942 CA ASN A 60 1.819 10.196 7.841 1.00 0.00 C ATOM 943 C ASN A 60 2.444 10.120 6.443 1.00 0.00 C ATOM 944 O ASN A 60 3.312 10.926 6.110 1.00 0.00 O ATOM 945 CB ASN A 60 2.772 10.777 8.893 1.00 0.00 C ATOM 946 CG ASN A 60 2.570 12.271 9.008 1.00 0.00 C ATOM 947 OD1 ASN A 60 1.757 12.728 9.813 1.00 0.00 O ATOM 948 ND2 ASN A 60 3.282 13.041 8.216 1.00 0.00 N ATOM 0 H ASN A 60 0.214 8.980 8.240 1.00 0.00 H new ATOM 0 HA ASN A 60 0.996 10.907 7.767 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.594 10.303 9.858 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.805 10.562 8.618 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.171 14.054 8.255 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.946 12.625 7.562 1.00 0.00 H new ATOM 955 N MET A 61 2.020 9.158 5.617 1.00 0.00 N ATOM 956 CA MET A 61 2.476 8.989 4.239 1.00 0.00 C ATOM 957 C MET A 61 1.457 9.570 3.256 1.00 0.00 C ATOM 958 O MET A 61 1.044 8.895 2.315 1.00 0.00 O ATOM 959 CB MET A 61 2.781 7.520 3.881 1.00 0.00 C ATOM 960 CG MET A 61 4.061 6.970 4.498 1.00 0.00 C ATOM 961 SD MET A 61 4.646 5.443 3.704 1.00 0.00 S ATOM 962 CE MET A 61 3.369 4.274 4.225 1.00 0.00 C ATOM 0 H MET A 61 1.333 8.459 5.898 1.00 0.00 H new ATOM 0 HA MET A 61 3.414 9.538 4.157 1.00 0.00 H new ATOM 0 HB2 MET A 61 1.943 6.900 4.201 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.848 7.430 2.797 1.00 0.00 H new ATOM 0 HG2 MET A 61 4.842 7.727 4.432 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.892 6.778 5.558 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.782 3.265 4.235 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.023 4.535 5.225 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.531 4.316 3.529 1.00 0.00 H new ATOM 972 N LEU A 62 1.058 10.825 3.446 1.00 0.00 N ATOM 973 CA LEU A 62 0.704 11.700 2.346 1.00 0.00 C ATOM 974 C LEU A 62 1.106 13.098 2.773 1.00 0.00 C ATOM 975 O LEU A 62 0.913 13.473 3.935 1.00 0.00 O ATOM 976 CB LEU A 62 -0.795 11.695 2.016 1.00 0.00 C ATOM 977 CG LEU A 62 -1.326 10.505 1.191 1.00 0.00 C ATOM 978 CD1 LEU A 62 -2.775 10.795 0.807 1.00 0.00 C ATOM 979 CD2 LEU A 62 -0.576 10.222 -0.117 1.00 0.00 C ATOM 0 H LEU A 62 0.973 11.257 4.366 1.00 0.00 H new ATOM 0 HA LEU A 62 1.213 11.356 1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.349 11.731 2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.026 12.612 1.475 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.196 9.632 1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.170 9.964 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.373 10.919 1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.818 11.709 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.029 9.367 -0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.634 11.096 -0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.469 10.002 0.103 1.00 0.00 H new ATOM 991 N ASP A 63 1.610 13.859 1.815 1.00 0.00 N ATOM 992 CA ASP A 63 1.924 15.274 1.919 1.00 0.00 C ATOM 993 C ASP A 63 0.650 16.076 2.207 1.00 0.00 C ATOM 994 O ASP A 63 -0.467 15.595 1.955 1.00 0.00 O ATOM 995 CB ASP A 63 2.514 15.755 0.576 1.00 0.00 C ATOM 996 CG ASP A 63 3.961 16.221 0.602 1.00 0.00 C ATOM 997 OD1 ASP A 63 4.595 16.234 1.673 1.00 0.00 O ATOM 998 OD2 ASP A 63 4.473 16.559 -0.490 1.00 0.00 O ATOM 0 H ASP A 63 1.823 13.483 0.891 1.00 0.00 H new ATOM 0 HA ASP A 63 2.638 15.423 2.729 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.430 14.942 -0.145 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.898 16.574 0.206 1.00 0.00 H new ATOM 1003 N PRO A 64 0.786 17.355 2.594 1.00 0.00 N ATOM 1004 CA PRO A 64 -0.331 18.264 2.812 1.00 0.00 C ATOM 1005 C PRO A 64 -0.966 18.733 1.490 1.00 0.00 C ATOM 1006 O PRO A 64 -1.771 19.664 1.482 1.00 0.00 O ATOM 1007 CB PRO A 64 0.261 19.401 3.649 1.00 0.00 C ATOM 1008 CG PRO A 64 1.708 19.489 3.171 1.00 0.00 C ATOM 1009 CD PRO A 64 2.050 18.066 2.736 1.00 0.00 C ATOM 0 HA PRO A 64 -1.164 17.789 3.330 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.272 20.338 3.486 1.00 0.00 H new ATOM 0 HB3 PRO A 64 0.204 19.184 4.716 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.812 20.193 2.345 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.370 19.831 3.967 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.599 18.071 1.794 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.687 17.579 3.474 1.00 0.00 H new ATOM 1017 N GLU A 65 -0.600 18.107 0.371 1.00 0.00 N ATOM 1018 CA GLU A 65 -1.039 18.383 -0.996 1.00 0.00 C ATOM 1019 C GLU A 65 -1.529 17.123 -1.717 1.00 0.00 C ATOM 1020 O GLU A 65 -1.944 17.162 -2.875 1.00 0.00 O ATOM 1021 CB GLU A 65 0.146 18.925 -1.778 1.00 0.00 C ATOM 1022 CG GLU A 65 0.749 20.168 -1.104 1.00 0.00 C ATOM 1023 CD GLU A 65 1.419 21.141 -2.071 1.00 0.00 C ATOM 1024 OE1 GLU A 65 0.677 21.699 -2.919 1.00 0.00 O ATOM 1025 OE2 GLU A 65 2.627 21.421 -1.913 1.00 0.00 O ATOM 0 H GLU A 65 0.063 17.333 0.400 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.864 19.093 -0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.909 18.152 -1.865 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.170 19.177 -2.790 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.039 20.694 -0.565 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.482 19.847 -0.364 1.00 0.00 H new ATOM 1032 N GLY A 66 -1.435 15.991 -1.031 1.00 0.00 N ATOM 1033 CA GLY A 66 -2.055 14.740 -1.438 1.00 0.00 C ATOM 1034 C GLY A 66 -1.158 13.813 -2.251 1.00 0.00 C ATOM 1035 O GLY A 66 -1.608 12.743 -2.659 1.00 0.00 O ATOM 0 H GLY A 66 -0.914 15.917 -0.157 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.388 14.209 -0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.945 14.967 -2.025 1.00 0.00 H new ATOM 1039 N ASN A 67 0.089 14.220 -2.487 1.00 0.00 N ATOM 1040 CA ASN A 67 1.139 13.362 -3.029 1.00 0.00 C ATOM 1041 C ASN A 67 1.652 12.450 -1.915 1.00 0.00 C ATOM 1042 O ASN A 67 1.405 12.715 -0.736 1.00 0.00 O ATOM 1043 CB ASN A 67 2.301 14.240 -3.532 1.00 0.00 C ATOM 1044 CG ASN A 67 1.847 15.251 -4.570 1.00 0.00 C ATOM 1045 OD1 ASN A 67 1.237 14.896 -5.572 1.00 0.00 O ATOM 1046 ND2 ASN A 67 2.071 16.536 -4.360 1.00 0.00 N ATOM 0 H ASN A 67 0.402 15.173 -2.303 1.00 0.00 H new ATOM 0 HA ASN A 67 0.745 12.766 -3.852 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.750 14.764 -2.688 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.076 13.604 -3.961 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.737 17.228 -5.030 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.578 16.836 -3.527 1.00 0.00 H new ATOM 1053 N LEU A 68 2.483 11.463 -2.247 1.00 0.00 N ATOM 1054 CA LEU A 68 3.433 10.875 -1.309 1.00 0.00 C ATOM 1055 C LEU A 68 4.266 12.011 -0.713 1.00 0.00 C ATOM 1056 O LEU A 68 4.486 13.052 -1.341 1.00 0.00 O ATOM 1057 CB LEU A 68 4.347 9.884 -2.061 1.00 0.00 C ATOM 1058 CG LEU A 68 5.282 8.992 -1.221 1.00 0.00 C ATOM 1059 CD1 LEU A 68 4.514 7.785 -0.671 1.00 0.00 C ATOM 1060 CD2 LEU A 68 6.452 8.492 -2.077 1.00 0.00 C ATOM 0 H LEU A 68 2.515 11.048 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 68 2.914 10.336 -0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.712 9.232 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.963 10.456 -2.754 1.00 0.00 H new ATOM 0 HG LEU A 68 5.666 9.587 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.187 7.164 -0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.694 8.131 -0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.114 7.200 -1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.104 7.863 -1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.067 7.913 -2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.018 9.344 -2.454 1.00 0.00 H new ATOM 1072 N HIS A 69 4.812 11.777 0.468 1.00 0.00 N ATOM 1073 CA HIS A 69 5.883 12.550 1.058 1.00 0.00 C ATOM 1074 C HIS A 69 7.097 11.630 1.126 1.00 0.00 C ATOM 1075 O HIS A 69 7.114 10.723 1.968 1.00 0.00 O ATOM 1076 CB HIS A 69 5.417 13.003 2.443 1.00 0.00 C ATOM 1077 CG HIS A 69 6.372 13.914 3.163 1.00 0.00 C ATOM 1078 ND1 HIS A 69 7.750 13.852 3.150 1.00 0.00 N ATOM 1079 CD2 HIS A 69 6.007 14.992 3.920 1.00 0.00 C ATOM 1080 CE1 HIS A 69 8.203 14.859 3.906 1.00 0.00 C ATOM 1081 NE2 HIS A 69 7.184 15.569 4.414 1.00 0.00 N ATOM 0 H HIS A 69 4.505 11.009 1.065 1.00 0.00 H new ATOM 0 HA HIS A 69 6.146 13.439 0.485 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.459 13.512 2.340 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.244 12.121 3.059 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.999 15.335 4.103 1.00 0.00 H new ATOM 0 HE1 HIS A 69 9.247 15.071 4.083 1.00 0.00 H new ATOM 0 HE2 HIS A 69 7.253 16.373 5.038 1.00 0.00 H new ATOM 1089 N HIS A 70 8.097 11.831 0.261 1.00 0.00 N ATOM 1090 CA HIS A 70 9.289 10.987 0.204 1.00 0.00 C ATOM 1091 C HIS A 70 9.897 10.802 1.596 1.00 0.00 C ATOM 1092 O HIS A 70 10.020 9.673 2.064 1.00 0.00 O ATOM 1093 CB HIS A 70 10.350 11.556 -0.744 1.00 0.00 C ATOM 1094 CG HIS A 70 9.956 11.731 -2.184 1.00 0.00 C ATOM 1095 ND1 HIS A 70 9.820 12.927 -2.850 1.00 0.00 N ATOM 1096 CD2 HIS A 70 9.784 10.732 -3.094 1.00 0.00 C ATOM 1097 CE1 HIS A 70 9.562 12.653 -4.139 1.00 0.00 C ATOM 1098 NE2 HIS A 70 9.599 11.324 -4.344 1.00 0.00 N ATOM 0 H HIS A 70 8.099 12.589 -0.422 1.00 0.00 H new ATOM 0 HA HIS A 70 8.968 10.019 -0.182 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.663 12.526 -0.358 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.221 10.902 -0.708 1.00 0.00 H new ATOM 0 HD2 HIS A 70 9.790 9.672 -2.885 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.355 13.391 -4.900 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.509 10.843 -5.239 1.00 0.00 H new ATOM 1106 N GLY A 71 10.210 11.908 2.277 1.00 0.00 N ATOM 1107 CA GLY A 71 10.782 11.940 3.615 1.00 0.00 C ATOM 1108 C GLY A 71 10.105 10.980 4.592 1.00 0.00 C ATOM 1109 O GLY A 71 10.783 10.146 5.194 1.00 0.00 O ATOM 0 H GLY A 71 10.064 12.841 1.890 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.842 11.695 3.554 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.711 12.954 4.007 1.00 0.00 H new ATOM 1113 N ASN A 72 8.783 11.094 4.769 1.00 0.00 N ATOM 1114 CA ASN A 72 8.036 10.261 5.713 1.00 0.00 C ATOM 1115 C ASN A 72 7.947 8.813 5.243 1.00 0.00 C ATOM 1116 O ASN A 72 8.029 7.910 6.067 1.00 0.00 O ATOM 1117 CB ASN A 72 6.628 10.812 5.971 1.00 0.00 C ATOM 1118 CG ASN A 72 6.660 11.857 7.075 1.00 0.00 C ATOM 1119 OD1 ASN A 72 7.151 12.961 6.864 1.00 0.00 O ATOM 1120 ND2 ASN A 72 6.186 11.521 8.265 1.00 0.00 N ATOM 0 H ASN A 72 8.205 11.765 4.263 1.00 0.00 H new ATOM 0 HA ASN A 72 8.592 10.286 6.650 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.230 11.252 5.057 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.958 9.999 6.251 1.00 0.00 H new ATOM 0 HD21 ASN A 72 6.224 12.188 9.036 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.783 10.595 8.411 1.00 0.00 H new ATOM 1127 N ALA A 73 7.795 8.570 3.940 1.00 0.00 N ATOM 1128 CA ALA A 73 7.788 7.233 3.350 1.00 0.00 C ATOM 1129 C ALA A 73 9.117 6.502 3.601 1.00 0.00 C ATOM 1130 O ALA A 73 9.135 5.346 4.035 1.00 0.00 O ATOM 1131 CB ALA A 73 7.470 7.367 1.857 1.00 0.00 C ATOM 0 H ALA A 73 7.671 9.313 3.253 1.00 0.00 H new ATOM 0 HA ALA A 73 7.020 6.621 3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.460 6.379 1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.493 7.835 1.734 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.230 7.983 1.377 1.00 0.00 H new ATOM 1137 N MET A 74 10.232 7.185 3.354 1.00 0.00 N ATOM 1138 CA MET A 74 11.585 6.729 3.589 1.00 0.00 C ATOM 1139 C MET A 74 11.812 6.478 5.083 1.00 0.00 C ATOM 1140 O MET A 74 12.409 5.461 5.440 1.00 0.00 O ATOM 1141 CB MET A 74 12.535 7.800 3.032 1.00 0.00 C ATOM 1142 CG MET A 74 13.989 7.336 2.997 1.00 0.00 C ATOM 1143 SD MET A 74 14.705 7.079 1.354 1.00 0.00 S ATOM 1144 CE MET A 74 13.632 5.775 0.699 1.00 0.00 C ATOM 0 H MET A 74 10.205 8.126 2.961 1.00 0.00 H new ATOM 0 HA MET A 74 11.773 5.781 3.086 1.00 0.00 H new ATOM 0 HB2 MET A 74 12.220 8.071 2.024 1.00 0.00 H new ATOM 0 HB3 MET A 74 12.460 8.700 3.642 1.00 0.00 H new ATOM 0 HG2 MET A 74 14.596 8.071 3.524 1.00 0.00 H new ATOM 0 HG3 MET A 74 14.064 6.402 3.554 1.00 0.00 H new ATOM 0 HE1 MET A 74 13.636 5.814 -0.390 1.00 0.00 H new ATOM 0 HE2 MET A 74 13.998 4.803 1.029 1.00 0.00 H new ATOM 0 HE3 MET A 74 12.616 5.923 1.064 1.00 0.00 H new ATOM 1154 N GLU A 75 11.337 7.378 5.954 1.00 0.00 N ATOM 1155 CA GLU A 75 11.350 7.190 7.401 1.00 0.00 C ATOM 1156 C GLU A 75 10.606 5.912 7.750 1.00 0.00 C ATOM 1157 O GLU A 75 11.191 5.027 8.353 1.00 0.00 O ATOM 1158 CB GLU A 75 10.705 8.393 8.121 1.00 0.00 C ATOM 1159 CG GLU A 75 11.719 9.220 8.927 1.00 0.00 C ATOM 1160 CD GLU A 75 12.089 8.618 10.291 1.00 0.00 C ATOM 1161 OE1 GLU A 75 11.681 7.473 10.599 1.00 0.00 O ATOM 1162 OE2 GLU A 75 12.700 9.342 11.110 1.00 0.00 O ATOM 0 H GLU A 75 10.929 8.267 5.664 1.00 0.00 H new ATOM 0 HA GLU A 75 12.385 7.114 7.735 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.223 9.036 7.384 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.923 8.033 8.790 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.628 9.335 8.336 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.312 10.219 9.083 1.00 0.00 H new ATOM 1169 N PHE A 76 9.334 5.798 7.361 1.00 0.00 N ATOM 1170 CA PHE A 76 8.476 4.663 7.662 1.00 0.00 C ATOM 1171 C PHE A 76 9.184 3.352 7.329 1.00 0.00 C ATOM 1172 O PHE A 76 9.171 2.438 8.149 1.00 0.00 O ATOM 1173 CB PHE A 76 7.143 4.802 6.909 1.00 0.00 C ATOM 1174 CG PHE A 76 6.212 3.621 7.096 1.00 0.00 C ATOM 1175 CD1 PHE A 76 5.633 3.387 8.355 1.00 0.00 C ATOM 1176 CD2 PHE A 76 5.959 2.733 6.032 1.00 0.00 C ATOM 1177 CE1 PHE A 76 4.815 2.259 8.553 1.00 0.00 C ATOM 1178 CE2 PHE A 76 5.131 1.613 6.227 1.00 0.00 C ATOM 1179 CZ PHE A 76 4.561 1.374 7.490 1.00 0.00 C ATOM 0 H PHE A 76 8.864 6.518 6.812 1.00 0.00 H new ATOM 0 HA PHE A 76 8.258 4.649 8.730 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.639 5.708 7.245 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.348 4.927 5.846 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.816 4.072 9.170 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.402 2.913 5.064 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.381 2.072 9.524 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.933 0.937 5.408 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.929 0.512 7.644 1.00 0.00 H new ATOM 1189 N ALA A 77 9.856 3.265 6.183 1.00 0.00 N ATOM 1190 CA ALA A 77 10.608 2.076 5.835 1.00 0.00 C ATOM 1191 C ALA A 77 11.790 1.832 6.787 1.00 0.00 C ATOM 1192 O ALA A 77 11.832 0.786 7.434 1.00 0.00 O ATOM 1193 CB ALA A 77 11.030 2.172 4.374 1.00 0.00 C ATOM 0 H ALA A 77 9.891 4.007 5.484 1.00 0.00 H new ATOM 0 HA ALA A 77 9.971 1.200 5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.597 1.282 4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.144 2.246 3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.651 3.056 4.232 1.00 0.00 H new ATOM 1199 N LYS A 78 12.748 2.764 6.897 1.00 0.00 N ATOM 1200 CA LYS A 78 13.919 2.619 7.768 1.00 0.00 C ATOM 1201 C LYS A 78 13.542 2.482 9.255 1.00 0.00 C ATOM 1202 O LYS A 78 14.327 2.021 10.075 1.00 0.00 O ATOM 1203 CB LYS A 78 14.840 3.833 7.568 1.00 0.00 C ATOM 1204 CG LYS A 78 15.954 3.644 6.525 1.00 0.00 C ATOM 1205 CD LYS A 78 15.523 3.842 5.062 1.00 0.00 C ATOM 1206 CE LYS A 78 16.691 4.438 4.264 1.00 0.00 C ATOM 1207 NZ LYS A 78 16.337 4.732 2.860 1.00 0.00 N ATOM 0 H LYS A 78 12.730 3.643 6.381 1.00 0.00 H new ATOM 0 HA LYS A 78 14.430 1.698 7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.230 4.687 7.274 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.298 4.083 8.525 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.760 4.343 6.747 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.364 2.640 6.633 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.220 2.889 4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.658 4.504 5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.025 5.355 4.749 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.530 3.743 4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.063 4.337 2.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 15.415 4.304 2.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.283 5.762 2.724 1.00 0.00 H new ATOM 1221 N LYS A 79 12.343 2.900 9.640 1.00 0.00 N ATOM 1222 CA LYS A 79 11.794 2.760 10.980 1.00 0.00 C ATOM 1223 C LYS A 79 11.457 1.300 11.294 1.00 0.00 C ATOM 1224 O LYS A 79 11.503 0.917 12.463 1.00 0.00 O ATOM 1225 CB LYS A 79 10.568 3.673 11.020 1.00 0.00 C ATOM 1226 CG LYS A 79 9.832 3.706 12.348 1.00 0.00 C ATOM 1227 CD LYS A 79 8.537 4.528 12.245 1.00 0.00 C ATOM 1228 CE LYS A 79 8.677 6.021 12.566 1.00 0.00 C ATOM 1229 NZ LYS A 79 9.288 6.836 11.494 1.00 0.00 N ATOM 0 H LYS A 79 11.700 3.365 8.999 1.00 0.00 H new ATOM 0 HA LYS A 79 12.511 3.050 11.748 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.881 4.687 10.771 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.872 3.354 10.244 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.596 2.689 12.662 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.478 4.134 13.114 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.142 4.427 11.234 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.798 4.096 12.920 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.689 6.423 12.789 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.277 6.128 13.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.015 7.832 11.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.324 6.752 11.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.956 6.498 10.568 1.00 0.00 H new ATOM 1243 N HIS A 80 11.082 0.526 10.274 1.00 0.00 N ATOM 1244 CA HIS A 80 10.537 -0.818 10.355 1.00 0.00 C ATOM 1245 C HIS A 80 11.518 -1.908 9.879 1.00 0.00 C ATOM 1246 O HIS A 80 11.076 -3.030 9.614 1.00 0.00 O ATOM 1247 CB HIS A 80 9.261 -0.855 9.511 1.00 0.00 C ATOM 1248 CG HIS A 80 8.123 -0.111 10.134 1.00 0.00 C ATOM 1249 ND1 HIS A 80 8.024 1.240 10.307 1.00 0.00 N ATOM 1250 CD2 HIS A 80 7.023 -0.686 10.685 1.00 0.00 C ATOM 1251 CE1 HIS A 80 6.894 1.476 10.980 1.00 0.00 C ATOM 1252 NE2 HIS A 80 6.221 0.334 11.212 1.00 0.00 N ATOM 0 H HIS A 80 11.159 0.848 9.309 1.00 0.00 H new ATOM 0 HA HIS A 80 10.334 -1.040 11.403 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.470 -0.431 8.529 1.00 0.00 H new ATOM 0 HB3 HIS A 80 8.966 -1.893 9.354 1.00 0.00 H new ATOM 0 HD1 HIS A 80 8.690 1.940 9.982 1.00 0.00 H new ATOM 0 HD2 HIS A 80 6.805 -1.743 10.712 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.564 2.455 11.296 1.00 0.00 H new ATOM 1260 N GLY A 81 12.809 -1.610 9.702 1.00 0.00 N ATOM 1261 CA GLY A 81 13.811 -2.619 9.361 1.00 0.00 C ATOM 1262 C GLY A 81 14.136 -2.710 7.870 1.00 0.00 C ATOM 1263 O GLY A 81 14.767 -3.687 7.464 1.00 0.00 O ATOM 0 H GLY A 81 13.185 -0.666 9.791 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.729 -2.401 9.907 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.460 -3.592 9.704 1.00 0.00 H new ATOM 1267 N ALA A 82 13.684 -1.763 7.040 1.00 0.00 N ATOM 1268 CA ALA A 82 13.970 -1.777 5.614 1.00 0.00 C ATOM 1269 C ALA A 82 15.377 -1.280 5.301 1.00 0.00 C ATOM 1270 O ALA A 82 15.756 -0.161 5.665 1.00 0.00 O ATOM 1271 CB ALA A 82 12.956 -0.916 4.866 1.00 0.00 C ATOM 0 H ALA A 82 13.114 -0.973 7.342 1.00 0.00 H new ATOM 0 HA ALA A 82 13.899 -2.814 5.286 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.180 -0.934 3.799 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.953 -1.308 5.033 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.010 0.110 5.231 1.00 0.00 H new ATOM 1277 N ASP A 83 16.098 -2.073 4.505 1.00 0.00 N ATOM 1278 CA ASP A 83 17.329 -1.655 3.863 1.00 0.00 C ATOM 1279 C ASP A 83 17.082 -0.422 2.995 1.00 0.00 C ATOM 1280 O ASP A 83 15.979 -0.151 2.521 1.00 0.00 O ATOM 1281 CB ASP A 83 18.055 -2.742 3.024 1.00 0.00 C ATOM 1282 CG ASP A 83 17.379 -4.089 2.737 1.00 0.00 C ATOM 1283 OD1 ASP A 83 16.573 -4.589 3.546 1.00 0.00 O ATOM 1284 OD2 ASP A 83 17.708 -4.691 1.689 1.00 0.00 O ATOM 0 H ASP A 83 15.833 -3.034 4.291 1.00 0.00 H new ATOM 0 HA ASP A 83 18.003 -1.430 4.689 1.00 0.00 H new ATOM 0 HB2 ASP A 83 18.300 -2.294 2.061 1.00 0.00 H new ATOM 0 HB3 ASP A 83 18.999 -2.957 3.525 1.00 0.00 H new ATOM 1289 N GLU A 84 18.162 0.299 2.732 1.00 0.00 N ATOM 1290 CA GLU A 84 18.229 1.518 1.953 1.00 0.00 C ATOM 1291 C GLU A 84 17.641 1.317 0.553 1.00 0.00 C ATOM 1292 O GLU A 84 16.723 2.040 0.166 1.00 0.00 O ATOM 1293 CB GLU A 84 19.702 1.957 1.935 1.00 0.00 C ATOM 1294 CG GLU A 84 19.912 3.417 2.343 1.00 0.00 C ATOM 1295 CD GLU A 84 19.516 4.399 1.249 1.00 0.00 C ATOM 1296 OE1 GLU A 84 18.303 4.649 1.079 1.00 0.00 O ATOM 1297 OE2 GLU A 84 20.422 4.984 0.616 1.00 0.00 O ATOM 0 H GLU A 84 19.079 0.024 3.085 1.00 0.00 H new ATOM 0 HA GLU A 84 17.623 2.307 2.398 1.00 0.00 H new ATOM 0 HB2 GLU A 84 20.272 1.315 2.607 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.105 1.807 0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 84 19.330 3.626 3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 84 20.960 3.570 2.600 1.00 0.00 H new ATOM 1304 N THR A 85 18.122 0.315 -0.191 1.00 0.00 N ATOM 1305 CA THR A 85 17.661 0.054 -1.552 1.00 0.00 C ATOM 1306 C THR A 85 16.204 -0.378 -1.532 1.00 0.00 C ATOM 1307 O THR A 85 15.435 0.046 -2.386 1.00 0.00 O ATOM 1308 CB THR A 85 18.547 -1.005 -2.223 1.00 0.00 C ATOM 1309 OG1 THR A 85 19.891 -0.570 -2.115 1.00 0.00 O ATOM 1310 CG2 THR A 85 18.192 -1.225 -3.702 1.00 0.00 C ATOM 0 H THR A 85 18.839 -0.333 0.135 1.00 0.00 H new ATOM 0 HA THR A 85 17.737 0.970 -2.137 1.00 0.00 H new ATOM 0 HB THR A 85 18.390 -1.960 -1.721 1.00 0.00 H new ATOM 0 HG1 THR A 85 20.483 -1.229 -2.534 1.00 0.00 H new ATOM 0 HG21 THR A 85 18.850 -1.984 -4.125 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.157 -1.557 -3.782 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.317 -0.291 -4.249 1.00 0.00 H new ATOM 1318 N MET A 86 15.811 -1.185 -0.547 1.00 0.00 N ATOM 1319 CA MET A 86 14.437 -1.608 -0.375 1.00 0.00 C ATOM 1320 C MET A 86 13.546 -0.390 -0.168 1.00 0.00 C ATOM 1321 O MET A 86 12.568 -0.232 -0.883 1.00 0.00 O ATOM 1322 CB MET A 86 14.386 -2.615 0.779 1.00 0.00 C ATOM 1323 CG MET A 86 12.971 -2.916 1.296 1.00 0.00 C ATOM 1324 SD MET A 86 12.537 -4.674 1.383 1.00 0.00 S ATOM 1325 CE MET A 86 13.931 -5.243 2.382 1.00 0.00 C ATOM 0 H MET A 86 16.448 -1.562 0.155 1.00 0.00 H new ATOM 0 HA MET A 86 14.055 -2.110 -1.264 1.00 0.00 H new ATOM 0 HB2 MET A 86 14.846 -3.547 0.452 1.00 0.00 H new ATOM 0 HB3 MET A 86 14.988 -2.234 1.604 1.00 0.00 H new ATOM 0 HG2 MET A 86 12.865 -2.483 2.291 1.00 0.00 H new ATOM 0 HG3 MET A 86 12.251 -2.412 0.651 1.00 0.00 H new ATOM 0 HE1 MET A 86 13.696 -6.215 2.815 1.00 0.00 H new ATOM 0 HE2 MET A 86 14.817 -5.330 1.754 1.00 0.00 H new ATOM 0 HE3 MET A 86 14.122 -4.527 3.181 1.00 0.00 H new ATOM 1335 N ALA A 87 13.870 0.496 0.768 1.00 0.00 N ATOM 1336 CA ALA A 87 13.105 1.712 0.991 1.00 0.00 C ATOM 1337 C ALA A 87 13.094 2.621 -0.237 1.00 0.00 C ATOM 1338 O ALA A 87 12.079 3.268 -0.480 1.00 0.00 O ATOM 1339 CB ALA A 87 13.649 2.397 2.235 1.00 0.00 C ATOM 0 H ALA A 87 14.670 0.389 1.392 1.00 0.00 H new ATOM 0 HA ALA A 87 12.057 1.462 1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.088 3.313 2.421 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.548 1.730 3.091 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.701 2.640 2.086 1.00 0.00 H new ATOM 1345 N GLN A 88 14.177 2.670 -1.017 1.00 0.00 N ATOM 1346 CA GLN A 88 14.181 3.411 -2.266 1.00 0.00 C ATOM 1347 C GLN A 88 13.211 2.785 -3.256 1.00 0.00 C ATOM 1348 O GLN A 88 12.433 3.521 -3.835 1.00 0.00 O ATOM 1349 CB GLN A 88 15.590 3.491 -2.853 1.00 0.00 C ATOM 1350 CG GLN A 88 15.682 4.505 -4.005 1.00 0.00 C ATOM 1351 CD GLN A 88 15.579 5.931 -3.480 1.00 0.00 C ATOM 1352 OE1 GLN A 88 16.545 6.423 -2.899 1.00 0.00 O ATOM 1353 NE2 GLN A 88 14.433 6.576 -3.625 1.00 0.00 N ATOM 0 H GLN A 88 15.058 2.204 -0.800 1.00 0.00 H new ATOM 0 HA GLN A 88 13.852 4.430 -2.061 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.293 3.770 -2.068 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.888 2.506 -3.213 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.625 4.375 -4.535 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.884 4.319 -4.724 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.656 6.132 -4.114 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.327 7.518 -3.248 1.00 0.00 H new ATOM 1362 N GLN A 89 13.243 1.469 -3.448 1.00 0.00 N ATOM 1363 CA GLN A 89 12.359 0.709 -4.325 1.00 0.00 C ATOM 1364 C GLN A 89 10.896 0.896 -3.909 1.00 0.00 C ATOM 1365 O GLN A 89 10.027 1.153 -4.738 1.00 0.00 O ATOM 1366 CB GLN A 89 12.802 -0.754 -4.248 1.00 0.00 C ATOM 1367 CG GLN A 89 13.983 -1.005 -5.193 1.00 0.00 C ATOM 1368 CD GLN A 89 13.580 -1.396 -6.612 1.00 0.00 C ATOM 1369 OE1 GLN A 89 12.587 -0.931 -7.156 1.00 0.00 O ATOM 1370 NE2 GLN A 89 14.347 -2.280 -7.230 1.00 0.00 N ATOM 0 H GLN A 89 13.921 0.874 -2.971 1.00 0.00 H new ATOM 0 HA GLN A 89 12.425 1.058 -5.355 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.087 -1.001 -3.225 1.00 0.00 H new ATOM 0 HB3 GLN A 89 11.970 -1.407 -4.513 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.596 -0.105 -5.237 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.607 -1.795 -4.774 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.171 -2.657 -6.761 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.114 -2.585 -8.175 1.00 0.00 H new ATOM 1379 N LEU A 90 10.631 0.821 -2.603 1.00 0.00 N ATOM 1380 CA LEU A 90 9.323 1.056 -2.003 1.00 0.00 C ATOM 1381 C LEU A 90 8.832 2.489 -2.218 1.00 0.00 C ATOM 1382 O LEU A 90 7.660 2.755 -1.964 1.00 0.00 O ATOM 1383 CB LEU A 90 9.365 0.743 -0.498 1.00 0.00 C ATOM 1384 CG LEU A 90 9.514 -0.750 -0.134 1.00 0.00 C ATOM 1385 CD1 LEU A 90 9.865 -0.900 1.353 1.00 0.00 C ATOM 1386 CD2 LEU A 90 8.239 -1.544 -0.410 1.00 0.00 C ATOM 0 H LEU A 90 11.347 0.587 -1.915 1.00 0.00 H new ATOM 0 HA LEU A 90 8.619 0.389 -2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.195 1.292 -0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.451 1.121 -0.040 1.00 0.00 H new ATOM 0 HG LEU A 90 10.312 -1.147 -0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 90 9.967 -1.957 1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.805 -0.387 1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.072 -0.462 1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.394 -2.588 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.420 -1.133 0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.992 -1.478 -1.470 1.00 0.00 H new ATOM 1398 N ILE A 91 9.680 3.404 -2.686 1.00 0.00 N ATOM 1399 CA ILE A 91 9.276 4.689 -3.231 1.00 0.00 C ATOM 1400 C ILE A 91 9.296 4.670 -4.746 1.00 0.00 C ATOM 1401 O ILE A 91 8.344 5.147 -5.332 1.00 0.00 O ATOM 1402 CB ILE A 91 10.133 5.820 -2.639 1.00 0.00 C ATOM 1403 CG1 ILE A 91 9.655 5.962 -1.183 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.007 7.140 -3.426 1.00 0.00 C ATOM 1405 CD1 ILE A 91 10.216 7.189 -0.458 1.00 0.00 C ATOM 0 H ILE A 91 10.690 3.264 -2.695 1.00 0.00 H new ATOM 0 HA ILE A 91 8.244 4.885 -2.939 1.00 0.00 H new ATOM 0 HB ILE A 91 11.195 5.582 -2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 91 8.566 6.013 -1.173 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.937 5.066 -0.630 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.634 7.902 -2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.330 6.982 -4.455 1.00 0.00 H new ATOM 0 HG23 ILE A 91 8.968 7.471 -3.418 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.832 7.217 0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 91 11.304 7.131 -0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 91 9.912 8.093 -0.985 1.00 0.00 H new ATOM 1417 N ASP A 92 10.332 4.178 -5.408 1.00 0.00 N ATOM 1418 CA ASP A 92 10.504 4.364 -6.844 1.00 0.00 C ATOM 1419 C ASP A 92 9.373 3.689 -7.615 1.00 0.00 C ATOM 1420 O ASP A 92 8.948 4.178 -8.661 1.00 0.00 O ATOM 1421 CB ASP A 92 11.861 3.799 -7.277 1.00 0.00 C ATOM 1422 CG ASP A 92 12.267 4.277 -8.670 1.00 0.00 C ATOM 1423 OD1 ASP A 92 12.252 5.512 -8.898 1.00 0.00 O ATOM 1424 OD2 ASP A 92 12.730 3.440 -9.475 1.00 0.00 O ATOM 0 H ASP A 92 11.077 3.639 -4.967 1.00 0.00 H new ATOM 0 HA ASP A 92 10.474 5.430 -7.068 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.623 4.096 -6.556 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.819 2.710 -7.266 1.00 0.00 H new ATOM 1429 N ILE A 93 8.831 2.597 -7.068 1.00 0.00 N ATOM 1430 CA ILE A 93 7.674 1.911 -7.611 1.00 0.00 C ATOM 1431 C ILE A 93 6.415 2.727 -7.276 1.00 0.00 C ATOM 1432 O ILE A 93 5.589 2.972 -8.155 1.00 0.00 O ATOM 1433 CB ILE A 93 7.641 0.468 -7.056 1.00 0.00 C ATOM 1434 CG1 ILE A 93 8.935 -0.317 -7.386 1.00 0.00 C ATOM 1435 CG2 ILE A 93 6.440 -0.274 -7.654 1.00 0.00 C ATOM 1436 CD1 ILE A 93 9.149 -1.571 -6.531 1.00 0.00 C ATOM 0 H ILE A 93 9.197 2.164 -6.220 1.00 0.00 H new ATOM 0 HA ILE A 93 7.723 1.830 -8.697 1.00 0.00 H new ATOM 0 HB ILE A 93 7.558 0.533 -5.971 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.912 -0.608 -8.436 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.791 0.346 -7.258 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.412 -1.292 -7.266 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.520 0.244 -7.382 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.533 -0.302 -8.740 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.077 -2.060 -6.828 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.207 -1.289 -5.480 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.315 -2.257 -6.677 1.00 0.00 H new ATOM 1448 N VAL A 94 6.268 3.149 -6.014 1.00 0.00 N ATOM 1449 CA VAL A 94 5.123 3.903 -5.510 1.00 0.00 C ATOM 1450 C VAL A 94 4.992 5.221 -6.268 1.00 0.00 C ATOM 1451 O VAL A 94 3.995 5.438 -6.960 1.00 0.00 O ATOM 1452 CB VAL A 94 5.230 4.078 -3.973 1.00 0.00 C ATOM 1453 CG1 VAL A 94 4.204 5.084 -3.436 1.00 0.00 C ATOM 1454 CG2 VAL A 94 4.957 2.709 -3.336 1.00 0.00 C ATOM 0 H VAL A 94 6.968 2.967 -5.295 1.00 0.00 H new ATOM 0 HA VAL A 94 4.201 3.350 -5.690 1.00 0.00 H new ATOM 0 HB VAL A 94 6.222 4.456 -3.728 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.315 5.175 -2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.369 6.056 -3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.197 4.737 -3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.024 2.793 -2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.958 2.371 -3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.695 1.989 -3.690 1.00 0.00 H new ATOM 1464 N HIS A 95 5.996 6.087 -6.148 1.00 0.00 N ATOM 1465 CA HIS A 95 6.062 7.373 -6.798 1.00 0.00 C ATOM 1466 C HIS A 95 5.884 7.162 -8.306 1.00 0.00 C ATOM 1467 O HIS A 95 5.083 7.845 -8.944 1.00 0.00 O ATOM 1468 CB HIS A 95 7.390 8.100 -6.546 1.00 0.00 C ATOM 1469 CG HIS A 95 7.331 9.552 -6.980 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.407 10.366 -7.243 1.00 0.00 N ATOM 1471 CD2 HIS A 95 6.203 10.305 -7.192 1.00 0.00 C ATOM 1472 CE1 HIS A 95 7.939 11.582 -7.564 1.00 0.00 C ATOM 1473 NE2 HIS A 95 6.597 11.592 -7.572 1.00 0.00 N ATOM 0 H HIS A 95 6.814 5.894 -5.570 1.00 0.00 H new ATOM 0 HA HIS A 95 5.271 7.998 -6.383 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.637 8.048 -5.486 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.190 7.592 -7.085 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.185 9.962 -7.084 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.559 12.438 -7.786 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.989 12.377 -7.807 1.00 0.00 H new ATOM 1481 N GLY A 96 6.606 6.186 -8.872 1.00 0.00 N ATOM 1482 CA GLY A 96 6.571 5.857 -10.285 1.00 0.00 C ATOM 1483 C GLY A 96 5.179 5.468 -10.780 1.00 0.00 C ATOM 1484 O GLY A 96 4.916 5.630 -11.965 1.00 0.00 O ATOM 0 H GLY A 96 7.243 5.595 -8.339 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.927 6.712 -10.859 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.260 5.035 -10.477 1.00 0.00 H new ATOM 1488 N CYS A 97 4.272 5.006 -9.916 1.00 0.00 N ATOM 1489 CA CYS A 97 2.870 4.777 -10.242 1.00 0.00 C ATOM 1490 C CYS A 97 1.990 5.968 -9.859 1.00 0.00 C ATOM 1491 O CYS A 97 0.967 6.127 -10.512 1.00 0.00 O ATOM 1492 CB CYS A 97 2.392 3.502 -9.549 1.00 0.00 C ATOM 1493 SG CYS A 97 2.857 1.975 -10.405 1.00 0.00 S ATOM 0 H CYS A 97 4.501 4.777 -8.949 1.00 0.00 H new ATOM 0 HA CYS A 97 2.784 4.659 -11.322 1.00 0.00 H new ATOM 0 HB2 CYS A 97 2.798 3.477 -8.538 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.307 3.537 -9.456 1.00 0.00 H new ATOM 1498 N GLU A 98 2.337 6.833 -8.898 1.00 0.00 N ATOM 1499 CA GLU A 98 1.476 7.931 -8.421 1.00 0.00 C ATOM 1500 C GLU A 98 0.893 8.780 -9.555 1.00 0.00 C ATOM 1501 O GLU A 98 -0.202 9.317 -9.411 1.00 0.00 O ATOM 1502 CB GLU A 98 2.223 8.899 -7.489 1.00 0.00 C ATOM 1503 CG GLU A 98 2.346 8.472 -6.027 1.00 0.00 C ATOM 1504 CD GLU A 98 2.696 9.702 -5.185 1.00 0.00 C ATOM 1505 OE1 GLU A 98 3.897 10.058 -5.095 1.00 0.00 O ATOM 1506 OE2 GLU A 98 1.758 10.314 -4.640 1.00 0.00 O ATOM 0 H GLU A 98 3.237 6.792 -8.420 1.00 0.00 H new ATOM 0 HA GLU A 98 0.674 7.420 -7.889 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.226 9.051 -7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.718 9.864 -7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.411 8.031 -5.682 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.117 7.709 -5.920 1.00 0.00 H new ATOM 1513 N LYS A 99 1.594 8.905 -10.681 1.00 0.00 N ATOM 1514 CA LYS A 99 1.222 9.756 -11.809 1.00 0.00 C ATOM 1515 C LYS A 99 1.033 8.944 -13.082 1.00 0.00 C ATOM 1516 O LYS A 99 0.161 9.263 -13.883 1.00 0.00 O ATOM 1517 CB LYS A 99 2.235 10.904 -11.997 1.00 0.00 C ATOM 1518 CG LYS A 99 3.740 10.557 -11.980 1.00 0.00 C ATOM 1519 CD LYS A 99 4.365 10.724 -10.583 1.00 0.00 C ATOM 1520 CE LYS A 99 5.796 10.177 -10.509 1.00 0.00 C ATOM 1521 NZ LYS A 99 6.837 11.117 -10.963 1.00 0.00 N ATOM 0 H LYS A 99 2.466 8.399 -10.838 1.00 0.00 H new ATOM 0 HA LYS A 99 0.258 10.211 -11.581 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.016 11.390 -12.948 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.054 11.640 -11.214 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.877 9.529 -12.316 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.266 11.197 -12.689 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.369 11.780 -10.315 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.745 10.211 -9.848 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.008 9.890 -9.479 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.856 9.270 -11.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.771 10.667 -10.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.664 11.374 -11.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.812 11.974 -10.374 1.00 0.00 H new ATOM 1535 N SER A 100 1.828 7.899 -13.276 1.00 0.00 N ATOM 1536 CA SER A 100 1.796 7.052 -14.456 1.00 0.00 C ATOM 1537 C SER A 100 0.581 6.126 -14.466 1.00 0.00 C ATOM 1538 O SER A 100 0.061 5.816 -15.539 1.00 0.00 O ATOM 1539 CB SER A 100 3.101 6.253 -14.470 1.00 0.00 C ATOM 1540 OG SER A 100 3.916 6.646 -15.550 1.00 0.00 O ATOM 0 H SER A 100 2.532 7.611 -12.596 1.00 0.00 H new ATOM 0 HA SER A 100 1.707 7.666 -15.352 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.635 6.404 -13.532 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.880 5.188 -14.544 1.00 0.00 H new ATOM 0 HG SER A 100 4.746 6.125 -15.540 1.00 0.00 H new ATOM 1546 N THR A 101 0.134 5.650 -13.305 1.00 0.00 N ATOM 1547 CA THR A 101 -1.055 4.825 -13.212 1.00 0.00 C ATOM 1548 C THR A 101 -2.278 5.695 -13.530 1.00 0.00 C ATOM 1549 O THR A 101 -2.518 6.683 -12.827 1.00 0.00 O ATOM 1550 CB THR A 101 -1.114 4.213 -11.814 1.00 0.00 C ATOM 1551 OG1 THR A 101 -0.169 3.158 -11.757 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.469 3.618 -11.461 1.00 0.00 C ATOM 0 H THR A 101 0.588 5.828 -12.409 1.00 0.00 H new ATOM 0 HA THR A 101 -1.037 4.005 -13.930 1.00 0.00 H new ATOM 0 HB THR A 101 -0.911 5.019 -11.109 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.188 2.750 -10.866 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.433 3.203 -10.454 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.231 4.396 -11.506 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.715 2.828 -12.170 1.00 0.00 H new ATOM 1560 N PRO A 102 -3.065 5.339 -14.558 1.00 0.00 N ATOM 1561 CA PRO A 102 -4.273 6.059 -14.903 1.00 0.00 C ATOM 1562 C PRO A 102 -5.378 5.747 -13.901 1.00 0.00 C ATOM 1563 O PRO A 102 -5.494 4.628 -13.391 1.00 0.00 O ATOM 1564 CB PRO A 102 -4.613 5.598 -16.316 1.00 0.00 C ATOM 1565 CG PRO A 102 -4.099 4.158 -16.360 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.897 4.180 -15.422 1.00 0.00 C ATOM 0 HA PRO A 102 -4.150 7.142 -14.870 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.685 5.647 -16.506 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.127 6.220 -17.068 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.857 3.451 -16.024 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.814 3.864 -17.370 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.847 3.263 -14.835 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.967 4.249 -15.986 1.00 0.00 H new ATOM 1574 N ALA A 103 -6.200 6.757 -13.648 1.00 0.00 N ATOM 1575 CA ALA A 103 -7.256 6.748 -12.658 1.00 0.00 C ATOM 1576 C ALA A 103 -8.478 7.464 -13.217 1.00 0.00 C ATOM 1577 O ALA A 103 -8.516 7.839 -14.396 1.00 0.00 O ATOM 1578 CB ALA A 103 -6.735 7.403 -11.377 1.00 0.00 C ATOM 0 H ALA A 103 -6.142 7.642 -14.152 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.557 5.729 -12.417 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.522 7.403 -10.622 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.876 6.844 -11.006 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.436 8.430 -11.589 1.00 0.00 H new ATOM 1584 N ASN A 104 -9.484 7.632 -12.368 1.00 0.00 N ATOM 1585 CA ASN A 104 -10.374 8.779 -12.458 1.00 0.00 C ATOM 1586 C ASN A 104 -10.160 9.667 -11.235 1.00 0.00 C ATOM 1587 O ASN A 104 -9.224 9.432 -10.469 1.00 0.00 O ATOM 1588 CB ASN A 104 -11.799 8.433 -12.849 1.00 0.00 C ATOM 1589 CG ASN A 104 -12.579 8.061 -11.633 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -13.268 8.891 -11.053 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -12.390 6.853 -11.160 1.00 0.00 N ATOM 0 H ASN A 104 -9.703 6.987 -11.609 1.00 0.00 H new ATOM 0 HA ASN A 104 -10.109 9.396 -13.317 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -12.266 9.283 -13.346 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -11.801 7.607 -13.560 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -12.824 6.576 -10.279 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -11.809 6.190 -11.673 1.00 0.00 H new ATOM 1598 N ASP A 105 -10.969 10.710 -11.077 1.00 0.00 N ATOM 1599 CA ASP A 105 -10.924 11.635 -9.946 1.00 0.00 C ATOM 1600 C ASP A 105 -11.142 10.915 -8.617 1.00 0.00 C ATOM 1601 O ASP A 105 -10.887 11.461 -7.551 1.00 0.00 O ATOM 1602 CB ASP A 105 -11.960 12.750 -10.145 1.00 0.00 C ATOM 1603 CG ASP A 105 -11.313 14.120 -10.002 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -11.183 14.616 -8.865 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -10.918 14.685 -11.049 1.00 0.00 O ATOM 0 H ASP A 105 -11.697 10.943 -11.752 1.00 0.00 H new ATOM 0 HA ASP A 105 -9.929 12.078 -9.907 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.414 12.659 -11.132 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.761 12.643 -9.414 1.00 0.00 H new ATOM 1610 N ASP A 106 -11.606 9.673 -8.666 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.719 8.781 -7.541 1.00 0.00 C ATOM 1612 C ASP A 106 -10.323 8.417 -7.007 1.00 0.00 C ATOM 1613 O ASP A 106 -9.665 7.497 -7.503 1.00 0.00 O ATOM 1614 CB ASP A 106 -12.497 7.544 -7.997 1.00 0.00 C ATOM 1615 CG ASP A 106 -13.281 6.891 -6.863 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -12.860 6.953 -5.687 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -14.294 6.214 -7.136 1.00 0.00 O ATOM 0 H ASP A 106 -11.926 9.249 -9.537 1.00 0.00 H new ATOM 0 HA ASP A 106 -12.255 9.258 -6.720 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -13.185 7.826 -8.794 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.802 6.818 -8.418 1.00 0.00 H new ATOM 1622 N LYS A 107 -9.857 9.125 -5.977 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.676 8.756 -5.183 1.00 0.00 C ATOM 1624 C LYS A 107 -8.670 7.264 -4.822 1.00 0.00 C ATOM 1625 O LYS A 107 -7.595 6.668 -4.798 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.607 9.583 -3.904 1.00 0.00 C ATOM 1627 CG LYS A 107 -8.157 11.017 -4.183 1.00 0.00 C ATOM 1628 CD LYS A 107 -6.633 11.154 -4.286 1.00 0.00 C ATOM 1629 CE LYS A 107 -6.083 11.388 -5.701 1.00 0.00 C ATOM 1630 NZ LYS A 107 -4.719 11.963 -5.646 1.00 0.00 N ATOM 0 H LYS A 107 -10.297 9.990 -5.662 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.803 8.963 -5.801 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.586 9.595 -3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.916 9.114 -3.204 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.611 11.361 -5.112 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.523 11.668 -3.389 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.317 11.981 -3.651 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -6.177 10.250 -3.883 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -6.064 10.446 -6.249 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.745 12.061 -6.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.426 12.254 -6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.716 12.790 -5.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.056 11.249 -5.283 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.832 6.641 -4.563 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.861 5.213 -4.265 1.00 0.00 C ATOM 1646 C CYS A 108 -9.339 4.417 -5.460 1.00 0.00 C ATOM 1647 O CYS A 108 -8.522 3.522 -5.275 1.00 0.00 O ATOM 1648 CB CYS A 108 -11.262 4.691 -3.920 1.00 0.00 C ATOM 1649 SG CYS A 108 -12.248 5.538 -2.661 1.00 0.00 S ATOM 0 H CYS A 108 -10.743 7.099 -4.555 1.00 0.00 H new ATOM 0 HA CYS A 108 -9.227 5.078 -3.389 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -11.844 4.687 -4.841 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -11.155 3.653 -3.606 1.00 0.00 H new ATOM 1654 N ILE A 109 -9.830 4.711 -6.671 1.00 0.00 N ATOM 1655 CA ILE A 109 -9.492 4.019 -7.916 1.00 0.00 C ATOM 1656 C ILE A 109 -8.011 4.227 -8.226 1.00 0.00 C ATOM 1657 O ILE A 109 -7.318 3.277 -8.587 1.00 0.00 O ATOM 1658 CB ILE A 109 -10.390 4.545 -9.045 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -11.868 4.207 -8.742 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -10.001 4.083 -10.456 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.305 2.754 -8.903 1.00 0.00 C ATOM 0 H ILE A 109 -10.499 5.467 -6.813 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.665 2.947 -7.817 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.243 5.625 -9.060 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -12.079 4.510 -7.717 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -12.493 4.820 -9.391 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.695 4.507 -11.182 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.989 4.418 -10.682 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.043 2.995 -10.507 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.363 2.663 -8.658 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.142 2.437 -9.933 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -11.722 2.122 -8.233 1.00 0.00 H new ATOM 1673 N TRP A 110 -7.539 5.468 -8.089 1.00 0.00 N ATOM 1674 CA TRP A 110 -6.153 5.845 -8.183 1.00 0.00 C ATOM 1675 C TRP A 110 -5.291 4.929 -7.319 1.00 0.00 C ATOM 1676 O TRP A 110 -4.513 4.135 -7.852 1.00 0.00 O ATOM 1677 CB TRP A 110 -6.038 7.325 -7.800 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.641 7.814 -7.742 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -3.764 7.734 -8.760 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -3.925 8.379 -6.611 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.552 8.248 -8.351 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.595 8.666 -7.036 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -4.263 8.668 -5.272 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -1.647 9.241 -6.179 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -3.312 9.240 -4.401 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -2.008 9.521 -4.855 1.00 0.00 C ATOM 0 H TRP A 110 -8.151 6.262 -7.902 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.780 5.726 -9.200 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.594 7.923 -8.522 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -6.509 7.478 -6.829 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -3.976 7.332 -9.740 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -1.726 8.312 -8.946 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -5.257 8.450 -4.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.652 9.465 -6.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -3.585 9.464 -3.380 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -1.285 9.954 -4.180 1.00 0.00 H new ATOM 1697 N THR A 111 -5.443 4.997 -6.001 1.00 0.00 N ATOM 1698 CA THR A 111 -4.634 4.218 -5.080 1.00 0.00 C ATOM 1699 C THR A 111 -4.807 2.706 -5.296 1.00 0.00 C ATOM 1700 O THR A 111 -3.848 1.958 -5.109 1.00 0.00 O ATOM 1701 CB THR A 111 -4.970 4.673 -3.653 1.00 0.00 C ATOM 1702 OG1 THR A 111 -4.756 6.066 -3.540 1.00 0.00 O ATOM 1703 CG2 THR A 111 -4.103 3.967 -2.619 1.00 0.00 C ATOM 0 H THR A 111 -6.132 5.595 -5.544 1.00 0.00 H new ATOM 0 HA THR A 111 -3.575 4.398 -5.265 1.00 0.00 H new ATOM 0 HB THR A 111 -6.014 4.423 -3.463 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.239 6.381 -4.311 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.370 4.315 -1.621 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.264 2.891 -2.683 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.053 4.189 -2.812 1.00 0.00 H new ATOM 1711 N LEU A 112 -5.972 2.245 -5.773 1.00 0.00 N ATOM 1712 CA LEU A 112 -6.184 0.867 -6.216 1.00 0.00 C ATOM 1713 C LEU A 112 -5.086 0.471 -7.200 1.00 0.00 C ATOM 1714 O LEU A 112 -4.377 -0.507 -6.974 1.00 0.00 O ATOM 1715 CB LEU A 112 -7.570 0.705 -6.868 1.00 0.00 C ATOM 1716 CG LEU A 112 -8.368 -0.546 -6.488 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -9.591 -0.593 -7.404 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -7.609 -1.863 -6.640 1.00 0.00 C ATOM 0 H LEU A 112 -6.803 2.830 -5.862 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.143 0.211 -5.347 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.169 1.580 -6.616 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.439 0.709 -7.950 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.612 -0.461 -5.429 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.190 -1.472 -7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.191 0.305 -7.257 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.266 -0.645 -8.443 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.255 -2.691 -6.348 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.304 -1.990 -7.679 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.725 -1.849 -6.002 1.00 0.00 H new ATOM 1730 N GLY A 113 -4.937 1.242 -8.278 1.00 0.00 N ATOM 1731 CA GLY A 113 -3.982 0.963 -9.338 1.00 0.00 C ATOM 1732 C GLY A 113 -2.538 1.180 -8.896 1.00 0.00 C ATOM 1733 O GLY A 113 -1.666 0.406 -9.290 1.00 0.00 O ATOM 0 H GLY A 113 -5.486 2.087 -8.436 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.105 -0.067 -9.672 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.197 1.603 -10.194 1.00 0.00 H new ATOM 1737 N VAL A 114 -2.260 2.213 -8.087 1.00 0.00 N ATOM 1738 CA VAL A 114 -0.915 2.462 -7.557 1.00 0.00 C ATOM 1739 C VAL A 114 -0.510 1.278 -6.650 1.00 0.00 C ATOM 1740 O VAL A 114 0.679 1.002 -6.489 1.00 0.00 O ATOM 1741 CB VAL A 114 -0.847 3.836 -6.839 1.00 0.00 C ATOM 1742 CG1 VAL A 114 0.564 4.187 -6.334 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -1.250 5.018 -7.739 1.00 0.00 C ATOM 0 H VAL A 114 -2.957 2.894 -7.785 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.192 2.522 -8.371 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.548 3.709 -6.014 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.543 5.159 -5.842 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.896 3.429 -5.625 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.254 4.222 -7.177 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.180 5.947 -7.173 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.581 5.065 -8.599 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.275 4.880 -8.084 1.00 0.00 H new ATOM 1753 N ALA A 115 -1.466 0.526 -6.091 1.00 0.00 N ATOM 1754 CA ALA A 115 -1.183 -0.744 -5.450 1.00 0.00 C ATOM 1755 C ALA A 115 -1.014 -1.866 -6.478 1.00 0.00 C ATOM 1756 O ALA A 115 -0.007 -2.557 -6.389 1.00 0.00 O ATOM 1757 CB ALA A 115 -2.246 -1.059 -4.402 1.00 0.00 C ATOM 0 H ALA A 115 -2.452 0.788 -6.075 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.229 -0.666 -4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -2.020 -2.015 -3.930 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.255 -0.274 -3.646 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.224 -1.113 -4.880 1.00 0.00 H new ATOM 1763 N THR A 116 -1.909 -2.062 -7.457 1.00 0.00 N ATOM 1764 CA THR A 116 -1.854 -3.241 -8.332 1.00 0.00 C ATOM 1765 C THR A 116 -0.526 -3.343 -9.096 1.00 0.00 C ATOM 1766 O THR A 116 -0.013 -4.453 -9.248 1.00 0.00 O ATOM 1767 CB THR A 116 -3.022 -3.272 -9.333 1.00 0.00 C ATOM 1768 OG1 THR A 116 -4.239 -2.830 -8.770 1.00 0.00 O ATOM 1769 CG2 THR A 116 -3.300 -4.690 -9.839 1.00 0.00 C ATOM 0 H THR A 116 -2.676 -1.422 -7.662 1.00 0.00 H new ATOM 0 HA THR A 116 -1.936 -4.101 -7.668 1.00 0.00 H new ATOM 0 HB THR A 116 -2.704 -2.609 -10.137 1.00 0.00 H new ATOM 0 HG1 THR A 116 -4.946 -2.868 -9.448 1.00 0.00 H new ATOM 0 HG21 THR A 116 -4.132 -4.668 -10.543 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.412 -5.079 -10.338 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.554 -5.333 -8.997 1.00 0.00 H new ATOM 1777 N CYS A 117 0.039 -2.215 -9.549 1.00 0.00 N ATOM 1778 CA CYS A 117 1.362 -2.217 -10.163 1.00 0.00 C ATOM 1779 C CYS A 117 2.384 -2.719 -9.138 1.00 0.00 C ATOM 1780 O CYS A 117 2.988 -3.773 -9.316 1.00 0.00 O ATOM 1781 CB CYS A 117 1.724 -0.828 -10.710 1.00 0.00 C ATOM 1782 SG CYS A 117 1.647 0.576 -9.563 1.00 0.00 S ATOM 0 H CYS A 117 -0.402 -1.297 -9.499 1.00 0.00 H new ATOM 0 HA CYS A 117 1.367 -2.891 -11.019 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.736 -0.879 -11.111 1.00 0.00 H new ATOM 0 HB3 CYS A 117 1.060 -0.614 -11.548 1.00 0.00 H new ATOM 1787 N PHE A 118 2.515 -1.988 -8.030 1.00 0.00 N ATOM 1788 CA PHE A 118 3.449 -2.231 -6.944 1.00 0.00 C ATOM 1789 C PHE A 118 3.393 -3.681 -6.464 1.00 0.00 C ATOM 1790 O PHE A 118 4.431 -4.320 -6.365 1.00 0.00 O ATOM 1791 CB PHE A 118 3.141 -1.206 -5.846 1.00 0.00 C ATOM 1792 CG PHE A 118 3.883 -1.346 -4.535 1.00 0.00 C ATOM 1793 CD1 PHE A 118 3.312 -2.094 -3.487 1.00 0.00 C ATOM 1794 CD2 PHE A 118 5.089 -0.653 -4.323 1.00 0.00 C ATOM 1795 CE1 PHE A 118 3.921 -2.112 -2.221 1.00 0.00 C ATOM 1796 CE2 PHE A 118 5.690 -0.657 -3.054 1.00 0.00 C ATOM 1797 CZ PHE A 118 5.093 -1.369 -1.997 1.00 0.00 C ATOM 0 H PHE A 118 1.936 -1.165 -7.863 1.00 0.00 H new ATOM 0 HA PHE A 118 4.479 -2.099 -7.275 1.00 0.00 H new ATOM 0 HB2 PHE A 118 3.347 -0.213 -6.245 1.00 0.00 H new ATOM 0 HB3 PHE A 118 2.073 -1.250 -5.635 1.00 0.00 H new ATOM 0 HD1 PHE A 118 2.405 -2.655 -3.657 1.00 0.00 H new ATOM 0 HD2 PHE A 118 5.553 -0.117 -5.138 1.00 0.00 H new ATOM 0 HE1 PHE A 118 3.489 -2.696 -1.421 1.00 0.00 H new ATOM 0 HE2 PHE A 118 6.609 -0.114 -2.889 1.00 0.00 H new ATOM 0 HZ PHE A 118 5.536 -1.344 -1.012 1.00 0.00 H new ATOM 1807 N LYS A 119 2.197 -4.225 -6.242 1.00 0.00 N ATOM 1808 CA LYS A 119 1.901 -5.621 -5.932 1.00 0.00 C ATOM 1809 C LYS A 119 2.666 -6.554 -6.871 1.00 0.00 C ATOM 1810 O LYS A 119 3.425 -7.388 -6.386 1.00 0.00 O ATOM 1811 CB LYS A 119 0.373 -5.766 -6.042 1.00 0.00 C ATOM 1812 CG LYS A 119 -0.247 -7.157 -5.829 1.00 0.00 C ATOM 1813 CD LYS A 119 -1.396 -7.406 -6.816 1.00 0.00 C ATOM 1814 CE LYS A 119 -0.836 -7.966 -8.121 1.00 0.00 C ATOM 1815 NZ LYS A 119 -0.806 -9.440 -8.086 1.00 0.00 N ATOM 0 H LYS A 119 1.349 -3.659 -6.277 1.00 0.00 H new ATOM 0 HA LYS A 119 2.225 -5.902 -4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -0.078 -5.087 -5.318 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.077 -5.419 -7.032 1.00 0.00 H new ATOM 0 HG2 LYS A 119 0.518 -7.923 -5.956 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -0.616 -7.241 -4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -2.113 -8.105 -6.386 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.932 -6.477 -7.008 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -1.447 -7.630 -8.959 1.00 0.00 H new ATOM 0 HE3 LYS A 119 0.170 -7.581 -8.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -0.422 -9.801 -8.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -0.204 -9.756 -7.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.771 -9.804 -7.951 1.00 0.00 H new ATOM 1829 N ALA A 120 2.486 -6.438 -8.191 1.00 0.00 N ATOM 1830 CA ALA A 120 3.185 -7.301 -9.144 1.00 0.00 C ATOM 1831 C ALA A 120 4.700 -7.137 -9.056 1.00 0.00 C ATOM 1832 O ALA A 120 5.436 -8.095 -9.293 1.00 0.00 O ATOM 1833 CB ALA A 120 2.718 -7.002 -10.570 1.00 0.00 C ATOM 0 H ALA A 120 1.863 -5.755 -8.622 1.00 0.00 H new ATOM 0 HA ALA A 120 2.943 -8.332 -8.886 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.246 -7.651 -11.269 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.646 -7.182 -10.647 1.00 0.00 H new ATOM 0 HB3 ALA A 120 2.930 -5.960 -10.811 1.00 0.00 H new ATOM 1839 N GLU A 121 5.188 -5.944 -8.730 1.00 0.00 N ATOM 1840 CA GLU A 121 6.603 -5.712 -8.543 1.00 0.00 C ATOM 1841 C GLU A 121 7.108 -6.439 -7.303 1.00 0.00 C ATOM 1842 O GLU A 121 8.175 -7.036 -7.370 1.00 0.00 O ATOM 1843 CB GLU A 121 6.932 -4.221 -8.466 1.00 0.00 C ATOM 1844 CG GLU A 121 6.407 -3.431 -9.665 1.00 0.00 C ATOM 1845 CD GLU A 121 7.194 -3.718 -10.946 1.00 0.00 C ATOM 1846 OE1 GLU A 121 8.345 -3.243 -11.087 1.00 0.00 O ATOM 1847 OE2 GLU A 121 6.702 -4.460 -11.824 1.00 0.00 O ATOM 0 H GLU A 121 4.609 -5.116 -8.590 1.00 0.00 H new ATOM 0 HA GLU A 121 7.116 -6.113 -9.417 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.507 -3.808 -7.551 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.013 -4.096 -8.400 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.357 -3.675 -9.825 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.456 -2.365 -9.443 1.00 0.00 H new ATOM 1854 N ILE A 122 6.366 -6.445 -6.193 1.00 0.00 N ATOM 1855 CA ILE A 122 6.769 -7.194 -4.992 1.00 0.00 C ATOM 1856 C ILE A 122 6.985 -8.680 -5.342 1.00 0.00 C ATOM 1857 O ILE A 122 8.028 -9.255 -5.005 1.00 0.00 O ATOM 1858 CB ILE A 122 5.762 -7.013 -3.832 1.00 0.00 C ATOM 1859 CG1 ILE A 122 5.316 -5.565 -3.556 1.00 0.00 C ATOM 1860 CG2 ILE A 122 6.340 -7.568 -2.529 1.00 0.00 C ATOM 1861 CD1 ILE A 122 6.426 -4.501 -3.606 1.00 0.00 C ATOM 0 H ILE A 122 5.484 -5.942 -6.097 1.00 0.00 H new ATOM 0 HA ILE A 122 7.716 -6.786 -4.638 1.00 0.00 H new ATOM 0 HB ILE A 122 4.881 -7.561 -4.167 1.00 0.00 H new ATOM 0 HG12 ILE A 122 4.549 -5.297 -4.282 1.00 0.00 H new ATOM 0 HG13 ILE A 122 4.849 -5.530 -2.572 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.618 -7.432 -1.724 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.554 -8.630 -2.649 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.260 -7.038 -2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 122 5.999 -3.520 -3.397 1.00 0.00 H new ATOM 0 HD12 ILE A 122 7.186 -4.733 -2.860 1.00 0.00 H new ATOM 0 HD13 ILE A 122 6.880 -4.496 -4.597 1.00 0.00 H new ATOM 1873 N HIS A 123 6.051 -9.264 -6.103 1.00 0.00 N ATOM 1874 CA HIS A 123 6.163 -10.636 -6.594 1.00 0.00 C ATOM 1875 C HIS A 123 7.347 -10.806 -7.555 1.00 0.00 C ATOM 1876 O HIS A 123 7.910 -11.900 -7.662 1.00 0.00 O ATOM 1877 CB HIS A 123 4.860 -11.072 -7.282 1.00 0.00 C ATOM 1878 CG HIS A 123 3.729 -11.397 -6.336 1.00 0.00 C ATOM 1879 ND1 HIS A 123 3.213 -12.654 -6.106 1.00 0.00 N ATOM 1880 CD2 HIS A 123 3.036 -10.519 -5.546 1.00 0.00 C ATOM 1881 CE1 HIS A 123 2.233 -12.536 -5.199 1.00 0.00 C ATOM 1882 NE2 HIS A 123 2.053 -11.247 -4.865 1.00 0.00 N ATOM 0 H HIS A 123 5.194 -8.793 -6.395 1.00 0.00 H new ATOM 0 HA HIS A 123 6.342 -11.274 -5.729 1.00 0.00 H new ATOM 0 HB2 HIS A 123 4.537 -10.278 -7.955 1.00 0.00 H new ATOM 0 HB3 HIS A 123 5.065 -11.948 -7.897 1.00 0.00 H new ATOM 0 HD2 HIS A 123 3.215 -9.457 -5.463 1.00 0.00 H new ATOM 0 HE1 HIS A 123 1.667 -13.362 -4.793 1.00 0.00 H new ATOM 0 HE2 HIS A 123 1.340 -10.873 -4.239 1.00 0.00 H new ATOM 1890 N LYS A 124 7.765 -9.765 -8.284 1.00 0.00 N ATOM 1891 CA LYS A 124 8.948 -9.786 -9.127 1.00 0.00 C ATOM 1892 C LYS A 124 10.171 -9.815 -8.218 1.00 0.00 C ATOM 1893 O LYS A 124 11.145 -10.516 -8.495 1.00 0.00 O ATOM 1894 CB LYS A 124 8.882 -8.577 -10.079 1.00 0.00 C ATOM 1895 CG LYS A 124 9.982 -7.551 -9.925 1.00 0.00 C ATOM 1896 CD LYS A 124 9.818 -6.204 -10.635 1.00 0.00 C ATOM 1897 CE LYS A 124 9.659 -6.315 -12.153 1.00 0.00 C ATOM 1898 NZ LYS A 124 9.703 -4.980 -12.790 1.00 0.00 N ATOM 0 H LYS A 124 7.275 -8.870 -8.299 1.00 0.00 H new ATOM 0 HA LYS A 124 9.010 -10.671 -9.760 1.00 0.00 H new ATOM 0 HB2 LYS A 124 8.898 -8.946 -11.105 1.00 0.00 H new ATOM 0 HB3 LYS A 124 7.924 -8.078 -9.934 1.00 0.00 H new ATOM 0 HG2 LYS A 124 10.107 -7.353 -8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 124 10.910 -8.002 -10.276 1.00 0.00 H new ATOM 0 HD2 LYS A 124 8.947 -5.693 -10.225 1.00 0.00 H new ATOM 0 HD3 LYS A 124 10.685 -5.581 -10.416 1.00 0.00 H new ATOM 0 HE2 LYS A 124 10.452 -6.942 -12.560 1.00 0.00 H new ATOM 0 HE3 LYS A 124 8.713 -6.803 -12.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 9.109 -4.983 -13.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 9.347 -4.265 -12.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 10.684 -4.752 -13.051 1.00 0.00 H new ATOM 1912 N LEU A 125 10.114 -9.043 -7.137 1.00 0.00 N ATOM 1913 CA LEU A 125 11.226 -8.809 -6.232 1.00 0.00 C ATOM 1914 C LEU A 125 11.478 -10.026 -5.327 1.00 0.00 C ATOM 1915 O LEU A 125 12.439 -10.040 -4.555 1.00 0.00 O ATOM 1916 CB LEU A 125 10.997 -7.527 -5.398 1.00 0.00 C ATOM 1917 CG LEU A 125 11.117 -6.221 -6.212 1.00 0.00 C ATOM 1918 CD1 LEU A 125 10.563 -5.010 -5.468 1.00 0.00 C ATOM 1919 CD2 LEU A 125 12.574 -5.918 -6.553 1.00 0.00 C ATOM 0 H LEU A 125 9.265 -8.549 -6.861 1.00 0.00 H new ATOM 0 HA LEU A 125 12.122 -8.661 -6.835 1.00 0.00 H new ATOM 0 HB2 LEU A 125 10.006 -7.572 -4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 125 11.719 -7.502 -4.582 1.00 0.00 H new ATOM 0 HG LEU A 125 10.531 -6.388 -7.116 1.00 0.00 H new ATOM 0 HD11 LEU A 125 10.674 -4.120 -6.088 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.507 -5.170 -5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.111 -4.873 -4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 125 12.629 -4.993 -7.127 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.148 -5.809 -5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 125 12.987 -6.736 -7.144 1.00 0.00 H new ATOM 1931 N ASN A 126 10.623 -11.055 -5.410 1.00 0.00 N ATOM 1932 CA ASN A 126 10.555 -12.227 -4.534 1.00 0.00 C ATOM 1933 C ASN A 126 10.322 -11.843 -3.072 1.00 0.00 C ATOM 1934 O ASN A 126 10.664 -12.593 -2.151 1.00 0.00 O ATOM 1935 CB ASN A 126 11.760 -13.161 -4.744 1.00 0.00 C ATOM 1936 CG ASN A 126 11.434 -14.604 -4.360 1.00 0.00 C ATOM 1937 OD1 ASN A 126 10.429 -15.166 -4.781 1.00 0.00 O ATOM 1938 ND2 ASN A 126 12.292 -15.260 -3.600 1.00 0.00 N ATOM 0 H ASN A 126 9.913 -11.090 -6.142 1.00 0.00 H new ATOM 0 HA ASN A 126 9.676 -12.804 -4.821 1.00 0.00 H new ATOM 0 HB2 ASN A 126 12.071 -13.124 -5.788 1.00 0.00 H new ATOM 0 HB3 ASN A 126 12.602 -12.808 -4.148 1.00 0.00 H new ATOM 0 HD21 ASN A 126 12.119 -16.237 -3.362 1.00 0.00 H new ATOM 0 HD22 ASN A 126 13.127 -14.790 -3.251 1.00 0.00 H new ATOM 1945 N TRP A 127 9.741 -10.661 -2.852 1.00 0.00 N ATOM 1946 CA TRP A 127 9.386 -10.100 -1.557 1.00 0.00 C ATOM 1947 C TRP A 127 7.994 -10.585 -1.103 1.00 0.00 C ATOM 1948 O TRP A 127 7.348 -9.919 -0.291 1.00 0.00 O ATOM 1949 CB TRP A 127 9.489 -8.572 -1.652 1.00 0.00 C ATOM 1950 CG TRP A 127 10.851 -7.954 -1.730 1.00 0.00 C ATOM 1951 CD1 TRP A 127 12.041 -8.595 -1.770 1.00 0.00 C ATOM 1952 CD2 TRP A 127 11.160 -6.534 -1.863 1.00 0.00 C ATOM 1953 NE1 TRP A 127 13.053 -7.672 -1.932 1.00 0.00 N ATOM 1954 CE2 TRP A 127 12.568 -6.386 -2.014 1.00 0.00 C ATOM 1955 CE3 TRP A 127 10.382 -5.360 -1.930 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 13.175 -5.144 -2.244 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 10.975 -4.100 -2.123 1.00 0.00 C ATOM 1958 CH2 TRP A 127 12.364 -3.998 -2.304 1.00 0.00 C ATOM 0 H TRP A 127 9.494 -10.038 -3.621 1.00 0.00 H new ATOM 0 HA TRP A 127 10.077 -10.446 -0.789 1.00 0.00 H new ATOM 0 HB2 TRP A 127 8.930 -8.256 -2.532 1.00 0.00 H new ATOM 0 HB3 TRP A 127 8.982 -8.150 -0.784 1.00 0.00 H new ATOM 0 HD1 TRP A 127 12.178 -9.663 -1.688 1.00 0.00 H new ATOM 0 HE1 TRP A 127 14.043 -7.913 -1.985 1.00 0.00 H new ATOM 0 HE3 TRP A 127 9.309 -5.430 -1.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.245 -5.069 -2.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 10.362 -3.211 -2.132 1.00 0.00 H new ATOM 0 HH2 TRP A 127 12.812 -3.033 -2.490 1.00 0.00 H new ATOM 1969 N ALA A 128 7.600 -11.779 -1.574 1.00 0.00 N ATOM 1970 CA ALA A 128 6.290 -12.422 -1.621 1.00 0.00 C ATOM 1971 C ALA A 128 5.711 -12.148 -2.994 1.00 0.00 C ATOM 1972 O ALA A 128 5.403 -13.159 -3.662 1.00 0.00 O ATOM 1973 CB ALA A 128 5.307 -11.966 -0.545 1.00 0.00 C ATOM 0 H ALA A 128 8.298 -12.397 -1.988 1.00 0.00 H new ATOM 0 HA ALA A 128 6.439 -13.484 -1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.364 -12.500 -0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.722 -12.177 0.440 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.132 -10.895 -0.643 1.00 0.00 H new TER 1979 ALA A 128