USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 760 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 27 GLN : amide:sc= 0.934 K(o=0.73,f=-8.5!) USER MOD Set 1.2: A 31 ASN : amide:sc= -0.204 X(o=0.73,f=1.1) USER MOD Set 2.1: A 11 LYS NZ :NH3+ -159:sc= 0.739 (180deg=0) USER MOD Set 2.2: A 47 TYR OH : rot 30:sc= 0.527 USER MOD Set 3.1: A 4 LYS NZ :NH3+ 172:sc= 1.25 (180deg=0.00462) USER MOD Set 3.2: A 6 TYR OH : rot 180:sc= 1.1 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= 1.05 (180deg=0.48) USER MOD Single : A 3 THR OG1 : rot 46:sc= 0.113 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.559 K(o=0.56,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0595 K(o=-0.06,f=-0.7) USER MOD Single : A 36 ASN : amide:sc= 0.382 K(o=0.38,f=-6!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.479 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0664 K(o=-0.066,f=-1.2) USER MOD Single : A 46 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0164) USER MOD Single : A 49 SER OG : rot -43:sc= 1.28 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.187 X(o=-0.19,f=-0.19) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 54 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.17) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0033 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 70 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.31) USER MOD Single : A 72 LYS NZ :NH3+ 163:sc= -0.0277 (180deg=-0.323) USER MOD Single : A 73 LYS NZ :NH3+ -124:sc= 0.697 (180deg=-0.652) USER MOD Single : A 75 ASN : amide:sc= 0.157 K(o=0.16,f=-4.8!) USER MOD Single : A 78 GLN : amide:sc= -0.037 X(o=-0.037,f=-0.52) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HE2:sc= 0.34 K(o=0.34,f=-1.6) USER MOD Single : A 93 HIS : no HD1:sc= -0.039 X(o=-0.039,f=0.00033) USER MOD Single : A 94 HIS : no HD1:sc=-0.00272 X(o=-0.0027,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.239 19.463 -8.098 1.00 0.00 N ATOM 2 CA MET A 1 8.538 18.016 -8.084 1.00 0.00 C ATOM 3 C MET A 1 7.259 17.224 -7.847 1.00 0.00 C ATOM 4 O MET A 1 6.763 17.154 -6.720 1.00 0.00 O ATOM 5 CB MET A 1 9.563 17.684 -6.991 1.00 0.00 C ATOM 6 CG MET A 1 10.929 18.332 -7.184 1.00 0.00 C ATOM 7 SD MET A 1 10.883 20.131 -7.031 1.00 0.00 S ATOM 8 CE MET A 1 12.614 20.535 -7.218 1.00 0.00 C ATOM 0 H1 MET A 1 9.118 20.000 -7.954 1.00 0.00 H new ATOM 0 H2 MET A 1 7.821 19.722 -9.014 1.00 0.00 H new ATOM 0 H3 MET A 1 7.567 19.686 -7.336 1.00 0.00 H new ATOM 0 HA MET A 1 8.960 17.742 -9.051 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.161 17.996 -6.027 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.691 16.602 -6.948 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.624 17.928 -6.448 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.316 18.066 -8.168 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.745 21.615 -7.146 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.189 20.046 -6.431 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.965 20.191 -8.191 1.00 0.00 H new ATOM 20 N PRO A 2 6.699 16.620 -8.904 1.00 0.00 N ATOM 21 CA PRO A 2 5.460 15.857 -8.828 1.00 0.00 C ATOM 22 C PRO A 2 5.712 14.396 -8.462 1.00 0.00 C ATOM 23 O PRO A 2 5.133 13.484 -9.053 1.00 0.00 O ATOM 24 CB PRO A 2 4.892 15.962 -10.252 1.00 0.00 C ATOM 25 CG PRO A 2 5.996 16.497 -11.119 1.00 0.00 C ATOM 26 CD PRO A 2 7.230 16.628 -10.266 1.00 0.00 C ATOM 0 HA PRO A 2 4.788 16.237 -8.059 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.558 14.987 -10.608 1.00 0.00 H new ATOM 0 HB3 PRO A 2 4.026 16.624 -10.275 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.181 15.827 -11.958 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.718 17.464 -11.539 1.00 0.00 H new ATOM 0 HD2 PRO A 2 7.923 15.804 -10.432 1.00 0.00 H new ATOM 0 HD3 PRO A 2 7.772 17.549 -10.481 1.00 0.00 H new ATOM 34 N THR A 3 6.566 14.182 -7.473 1.00 0.00 N ATOM 35 CA THR A 3 6.957 12.839 -7.091 1.00 0.00 C ATOM 36 C THR A 3 5.914 12.182 -6.186 1.00 0.00 C ATOM 37 O THR A 3 5.754 12.540 -5.017 1.00 0.00 O ATOM 38 CB THR A 3 8.337 12.833 -6.404 1.00 0.00 C ATOM 39 OG1 THR A 3 8.392 13.837 -5.378 1.00 0.00 O ATOM 40 CG2 THR A 3 9.444 13.081 -7.416 1.00 0.00 C ATOM 0 H THR A 3 7.000 14.923 -6.922 1.00 0.00 H new ATOM 0 HA THR A 3 7.024 12.255 -8.009 1.00 0.00 H new ATOM 0 HB THR A 3 8.483 11.851 -5.954 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.576 13.796 -4.836 1.00 0.00 H new ATOM 0 HG21 THR A 3 10.409 13.073 -6.909 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.426 12.298 -8.174 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.292 14.050 -7.891 1.00 0.00 H new ATOM 48 N LYS A 4 5.197 11.226 -6.753 1.00 0.00 N ATOM 49 CA LYS A 4 4.205 10.463 -6.018 1.00 0.00 C ATOM 50 C LYS A 4 4.712 9.041 -5.837 1.00 0.00 C ATOM 51 O LYS A 4 4.580 8.197 -6.721 1.00 0.00 O ATOM 52 CB LYS A 4 2.857 10.488 -6.751 1.00 0.00 C ATOM 53 CG LYS A 4 1.720 9.786 -6.018 1.00 0.00 C ATOM 54 CD LYS A 4 1.398 8.438 -6.650 1.00 0.00 C ATOM 55 CE LYS A 4 0.087 7.869 -6.121 1.00 0.00 C ATOM 56 NZ LYS A 4 -0.359 6.678 -6.893 1.00 0.00 N ATOM 0 H LYS A 4 5.287 10.958 -7.733 1.00 0.00 H new ATOM 0 HA LYS A 4 4.048 10.909 -5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.573 11.526 -6.925 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.982 10.023 -7.729 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.993 9.643 -4.972 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.832 10.417 -6.032 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.337 8.549 -7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.208 7.737 -6.446 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.208 7.596 -5.073 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.685 8.638 -6.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.177 6.244 -6.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.630 6.969 -7.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.417 5.988 -6.946 1.00 0.00 H new ATOM 70 N THR A 5 5.345 8.803 -4.709 1.00 0.00 N ATOM 71 CA THR A 5 5.976 7.524 -4.441 1.00 0.00 C ATOM 72 C THR A 5 5.358 6.861 -3.212 1.00 0.00 C ATOM 73 O THR A 5 4.692 7.518 -2.406 1.00 0.00 O ATOM 74 CB THR A 5 7.492 7.714 -4.228 1.00 0.00 C ATOM 75 OG1 THR A 5 7.980 8.720 -5.129 1.00 0.00 O ATOM 76 CG2 THR A 5 8.251 6.417 -4.477 1.00 0.00 C ATOM 0 H THR A 5 5.438 9.484 -3.955 1.00 0.00 H new ATOM 0 HA THR A 5 5.813 6.876 -5.302 1.00 0.00 H new ATOM 0 HB THR A 5 7.653 8.019 -3.194 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.943 8.842 -4.993 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.317 6.583 -4.319 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.897 5.650 -3.788 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.083 6.088 -5.503 1.00 0.00 H new ATOM 84 N TYR A 6 5.579 5.561 -3.080 1.00 0.00 N ATOM 85 CA TYR A 6 5.039 4.795 -1.973 1.00 0.00 C ATOM 86 C TYR A 6 6.156 4.437 -1.009 1.00 0.00 C ATOM 87 O TYR A 6 7.322 4.375 -1.406 1.00 0.00 O ATOM 88 CB TYR A 6 4.381 3.513 -2.487 1.00 0.00 C ATOM 89 CG TYR A 6 3.493 3.727 -3.689 1.00 0.00 C ATOM 90 CD1 TYR A 6 2.194 4.195 -3.543 1.00 0.00 C ATOM 91 CD2 TYR A 6 3.962 3.476 -4.970 1.00 0.00 C ATOM 92 CE1 TYR A 6 1.385 4.401 -4.644 1.00 0.00 C ATOM 93 CE2 TYR A 6 3.163 3.682 -6.075 1.00 0.00 C ATOM 94 CZ TYR A 6 1.875 4.145 -5.907 1.00 0.00 C ATOM 95 OH TYR A 6 1.074 4.355 -7.006 1.00 0.00 O ATOM 0 H TYR A 6 6.135 5.012 -3.736 1.00 0.00 H new ATOM 0 HA TYR A 6 4.290 5.398 -1.460 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.159 2.794 -2.744 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.791 3.071 -1.684 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.810 4.401 -2.555 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.970 3.113 -5.104 1.00 0.00 H new ATOM 0 HE1 TYR A 6 0.375 4.760 -4.516 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.544 3.482 -7.066 1.00 0.00 H new ATOM 0 HH TYR A 6 1.570 4.128 -7.820 1.00 0.00 H new ATOM 105 N SER A 7 5.807 4.215 0.247 1.00 0.00 N ATOM 106 CA SER A 7 6.780 3.797 1.242 1.00 0.00 C ATOM 107 C SER A 7 7.392 2.453 0.852 1.00 0.00 C ATOM 108 O SER A 7 6.696 1.571 0.345 1.00 0.00 O ATOM 109 CB SER A 7 6.109 3.699 2.613 1.00 0.00 C ATOM 110 OG SER A 7 5.437 4.906 2.939 1.00 0.00 O ATOM 0 H SER A 7 4.856 4.317 0.602 1.00 0.00 H new ATOM 0 HA SER A 7 7.578 4.537 1.291 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.399 2.872 2.616 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.858 3.479 3.373 1.00 0.00 H new ATOM 0 HG SER A 7 5.015 4.818 3.819 1.00 0.00 H new ATOM 116 N GLU A 8 8.692 2.302 1.064 1.00 0.00 N ATOM 117 CA GLU A 8 9.371 1.047 0.745 1.00 0.00 C ATOM 118 C GLU A 8 8.812 -0.111 1.578 1.00 0.00 C ATOM 119 O GLU A 8 8.731 -1.248 1.110 1.00 0.00 O ATOM 120 CB GLU A 8 10.901 1.177 0.897 1.00 0.00 C ATOM 121 CG GLU A 8 11.382 2.113 2.005 1.00 0.00 C ATOM 122 CD GLU A 8 11.079 1.603 3.395 1.00 0.00 C ATOM 123 OE1 GLU A 8 11.861 0.773 3.912 1.00 0.00 O ATOM 124 OE2 GLU A 8 10.064 2.034 3.983 1.00 0.00 O ATOM 0 H GLU A 8 9.297 3.025 1.453 1.00 0.00 H new ATOM 0 HA GLU A 8 9.173 0.820 -0.303 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.315 0.185 1.080 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.313 1.524 -0.050 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.458 2.259 1.906 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.915 3.089 1.874 1.00 0.00 H new ATOM 131 N GLU A 9 8.402 0.198 2.798 1.00 0.00 N ATOM 132 CA GLU A 9 7.710 -0.754 3.659 1.00 0.00 C ATOM 133 C GLU A 9 6.380 -1.166 3.034 1.00 0.00 C ATOM 134 O GLU A 9 6.009 -2.338 3.035 1.00 0.00 O ATOM 135 CB GLU A 9 7.472 -0.105 5.020 1.00 0.00 C ATOM 136 CG GLU A 9 6.725 -0.972 6.013 1.00 0.00 C ATOM 137 CD GLU A 9 6.407 -0.217 7.283 1.00 0.00 C ATOM 138 OE1 GLU A 9 5.344 0.438 7.336 1.00 0.00 O ATOM 139 OE2 GLU A 9 7.225 -0.252 8.225 1.00 0.00 O ATOM 0 H GLU A 9 8.539 1.116 3.221 1.00 0.00 H new ATOM 0 HA GLU A 9 8.322 -1.648 3.779 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.435 0.169 5.450 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.914 0.820 4.874 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.800 -1.330 5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.324 -1.851 6.252 1.00 0.00 H new ATOM 146 N PHE A 10 5.682 -0.190 2.480 1.00 0.00 N ATOM 147 CA PHE A 10 4.407 -0.428 1.816 1.00 0.00 C ATOM 148 C PHE A 10 4.587 -1.402 0.652 1.00 0.00 C ATOM 149 O PHE A 10 3.727 -2.244 0.390 1.00 0.00 O ATOM 150 CB PHE A 10 3.834 0.907 1.326 1.00 0.00 C ATOM 151 CG PHE A 10 2.458 0.816 0.736 1.00 0.00 C ATOM 152 CD1 PHE A 10 1.345 0.733 1.554 1.00 0.00 C ATOM 153 CD2 PHE A 10 2.279 0.823 -0.639 1.00 0.00 C ATOM 154 CE1 PHE A 10 0.075 0.658 1.015 1.00 0.00 C ATOM 155 CE2 PHE A 10 1.013 0.748 -1.185 1.00 0.00 C ATOM 156 CZ PHE A 10 -0.092 0.666 -0.357 1.00 0.00 C ATOM 0 H PHE A 10 5.979 0.786 2.476 1.00 0.00 H new ATOM 0 HA PHE A 10 3.708 -0.876 2.522 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.811 1.606 2.162 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.509 1.325 0.579 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.471 0.727 2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.139 0.888 -1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.785 0.593 1.664 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.886 0.753 -2.257 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.083 0.608 -0.782 1.00 0.00 H new ATOM 166 N LYS A 11 5.725 -1.291 -0.030 1.00 0.00 N ATOM 167 CA LYS A 11 6.040 -2.168 -1.149 1.00 0.00 C ATOM 168 C LYS A 11 6.415 -3.562 -0.657 1.00 0.00 C ATOM 169 O LYS A 11 6.045 -4.563 -1.266 1.00 0.00 O ATOM 170 CB LYS A 11 7.191 -1.594 -1.981 1.00 0.00 C ATOM 171 CG LYS A 11 7.004 -0.143 -2.390 1.00 0.00 C ATOM 172 CD LYS A 11 8.180 0.336 -3.225 1.00 0.00 C ATOM 173 CE LYS A 11 8.163 1.838 -3.438 1.00 0.00 C ATOM 174 NZ LYS A 11 9.363 2.299 -4.182 1.00 0.00 N ATOM 0 H LYS A 11 6.445 -0.599 0.176 1.00 0.00 H new ATOM 0 HA LYS A 11 5.150 -2.240 -1.774 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.115 -1.682 -1.410 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.312 -2.200 -2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.080 -0.037 -2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.905 0.480 -1.501 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.111 0.052 -2.734 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.164 -0.166 -4.192 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.264 2.118 -3.987 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.117 2.342 -2.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.510 3.314 -4.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.197 1.768 -3.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.223 2.138 -5.200 1.00 0.00 H new ATOM 188 N ARG A 12 7.150 -3.631 0.454 1.00 0.00 N ATOM 189 CA ARG A 12 7.582 -4.918 0.989 1.00 0.00 C ATOM 190 C ARG A 12 6.399 -5.674 1.591 1.00 0.00 C ATOM 191 O ARG A 12 6.427 -6.900 1.704 1.00 0.00 O ATOM 192 CB ARG A 12 8.748 -4.755 1.991 1.00 0.00 C ATOM 193 CG ARG A 12 8.436 -4.001 3.274 1.00 0.00 C ATOM 194 CD ARG A 12 7.871 -4.914 4.355 1.00 0.00 C ATOM 195 NE ARG A 12 7.898 -4.279 5.671 1.00 0.00 N ATOM 196 CZ ARG A 12 7.028 -4.540 6.645 1.00 0.00 C ATOM 197 NH1 ARG A 12 6.034 -5.394 6.450 1.00 0.00 N ATOM 198 NH2 ARG A 12 7.144 -3.939 7.820 1.00 0.00 N ATOM 0 H ARG A 12 7.454 -2.821 0.993 1.00 0.00 H new ATOM 0 HA ARG A 12 7.968 -5.519 0.165 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.111 -5.748 2.258 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.565 -4.243 1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.344 -3.523 3.642 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.721 -3.206 3.062 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.846 -5.184 4.103 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.446 -5.839 4.386 1.00 0.00 H new ATOM 0 HE ARG A 12 8.629 -3.592 5.855 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.930 -5.858 5.548 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.373 -5.587 7.202 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.901 -3.274 7.980 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.476 -4.141 8.564 1.00 0.00 H new ATOM 212 N ASP A 13 5.356 -4.938 1.955 1.00 0.00 N ATOM 213 CA ASP A 13 4.094 -5.554 2.359 1.00 0.00 C ATOM 214 C ASP A 13 3.447 -6.259 1.175 1.00 0.00 C ATOM 215 O ASP A 13 2.869 -7.335 1.318 1.00 0.00 O ATOM 216 CB ASP A 13 3.132 -4.509 2.924 1.00 0.00 C ATOM 217 CG ASP A 13 3.222 -4.370 4.431 1.00 0.00 C ATOM 218 OD1 ASP A 13 2.617 -5.199 5.143 1.00 0.00 O ATOM 219 OD2 ASP A 13 3.873 -3.421 4.912 1.00 0.00 O ATOM 0 H ASP A 13 5.357 -3.918 1.979 1.00 0.00 H new ATOM 0 HA ASP A 13 4.311 -6.285 3.138 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.342 -3.544 2.463 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.112 -4.778 2.650 1.00 0.00 H new ATOM 224 N ALA A 14 3.563 -5.651 0.000 1.00 0.00 N ATOM 225 CA ALA A 14 3.027 -6.239 -1.225 1.00 0.00 C ATOM 226 C ALA A 14 3.779 -7.516 -1.590 1.00 0.00 C ATOM 227 O ALA A 14 3.201 -8.457 -2.134 1.00 0.00 O ATOM 228 CB ALA A 14 3.090 -5.237 -2.369 1.00 0.00 C ATOM 0 H ALA A 14 4.024 -4.750 -0.132 1.00 0.00 H new ATOM 0 HA ALA A 14 1.983 -6.499 -1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.687 -5.692 -3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.502 -4.355 -2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.126 -4.945 -2.540 1.00 0.00 H new ATOM 234 N VAL A 15 5.067 -7.544 -1.278 1.00 0.00 N ATOM 235 CA VAL A 15 5.873 -8.742 -1.479 1.00 0.00 C ATOM 236 C VAL A 15 5.380 -9.861 -0.563 1.00 0.00 C ATOM 237 O VAL A 15 5.335 -11.030 -0.952 1.00 0.00 O ATOM 238 CB VAL A 15 7.373 -8.469 -1.218 1.00 0.00 C ATOM 239 CG1 VAL A 15 8.207 -9.711 -1.483 1.00 0.00 C ATOM 240 CG2 VAL A 15 7.861 -7.311 -2.072 1.00 0.00 C ATOM 0 H VAL A 15 5.577 -6.753 -0.885 1.00 0.00 H new ATOM 0 HA VAL A 15 5.765 -9.047 -2.520 1.00 0.00 H new ATOM 0 HB VAL A 15 7.489 -8.200 -0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.257 -9.491 -1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.879 -10.516 -0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.084 -10.017 -2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.918 -7.134 -1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.724 -7.553 -3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.291 -6.414 -1.829 1.00 0.00 H new ATOM 250 N ALA A 16 4.975 -9.486 0.648 1.00 0.00 N ATOM 251 CA ALA A 16 4.411 -10.434 1.602 1.00 0.00 C ATOM 252 C ALA A 16 3.049 -10.931 1.123 1.00 0.00 C ATOM 253 O ALA A 16 2.671 -12.077 1.361 1.00 0.00 O ATOM 254 CB ALA A 16 4.295 -9.798 2.978 1.00 0.00 C ATOM 0 H ALA A 16 5.028 -8.527 0.992 1.00 0.00 H new ATOM 0 HA ALA A 16 5.081 -11.290 1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.872 -10.519 3.678 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.283 -9.494 3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.646 -8.924 2.921 1.00 0.00 H new ATOM 260 N LEU A 17 2.316 -10.057 0.442 1.00 0.00 N ATOM 261 CA LEU A 17 1.055 -10.438 -0.185 1.00 0.00 C ATOM 262 C LEU A 17 1.301 -11.494 -1.258 1.00 0.00 C ATOM 263 O LEU A 17 0.514 -12.424 -1.421 1.00 0.00 O ATOM 264 CB LEU A 17 0.376 -9.215 -0.807 1.00 0.00 C ATOM 265 CG LEU A 17 -0.130 -8.162 0.183 1.00 0.00 C ATOM 266 CD1 LEU A 17 -0.620 -6.929 -0.558 1.00 0.00 C ATOM 267 CD2 LEU A 17 -1.242 -8.735 1.048 1.00 0.00 C ATOM 0 H LEU A 17 2.573 -9.079 0.310 1.00 0.00 H new ATOM 0 HA LEU A 17 0.399 -10.852 0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.081 -8.738 -1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.467 -9.557 -1.408 1.00 0.00 H new ATOM 0 HG LEU A 17 0.698 -7.872 0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.976 -6.190 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.199 -6.505 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.434 -7.206 -1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.590 -7.973 1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.070 -9.051 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.864 -9.592 1.605 1.00 0.00 H new ATOM 279 N TYR A 18 2.413 -11.350 -1.970 1.00 0.00 N ATOM 280 CA TYR A 18 2.775 -12.281 -3.032 1.00 0.00 C ATOM 281 C TYR A 18 3.127 -13.651 -2.451 1.00 0.00 C ATOM 282 O TYR A 18 2.957 -14.677 -3.109 1.00 0.00 O ATOM 283 CB TYR A 18 3.950 -11.728 -3.839 1.00 0.00 C ATOM 284 CG TYR A 18 4.241 -12.495 -5.109 1.00 0.00 C ATOM 285 CD1 TYR A 18 3.434 -12.338 -6.229 1.00 0.00 C ATOM 286 CD2 TYR A 18 5.320 -13.367 -5.191 1.00 0.00 C ATOM 287 CE1 TYR A 18 3.694 -13.028 -7.395 1.00 0.00 C ATOM 288 CE2 TYR A 18 5.588 -14.061 -6.356 1.00 0.00 C ATOM 289 CZ TYR A 18 4.770 -13.888 -7.456 1.00 0.00 C ATOM 290 OH TYR A 18 5.033 -14.576 -8.622 1.00 0.00 O ATOM 0 H TYR A 18 3.082 -10.593 -1.830 1.00 0.00 H new ATOM 0 HA TYR A 18 1.918 -12.400 -3.695 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.745 -10.688 -4.094 1.00 0.00 H new ATOM 0 HB3 TYR A 18 4.842 -11.732 -3.212 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.590 -11.665 -6.186 1.00 0.00 H new ATOM 0 HD2 TYR A 18 5.959 -13.505 -4.331 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.057 -12.895 -8.257 1.00 0.00 H new ATOM 0 HE2 TYR A 18 6.431 -14.734 -6.406 1.00 0.00 H new ATOM 0 HH TYR A 18 5.826 -15.138 -8.498 1.00 0.00 H new ATOM 300 N GLU A 19 3.615 -13.658 -1.213 1.00 0.00 N ATOM 301 CA GLU A 19 3.894 -14.905 -0.507 1.00 0.00 C ATOM 302 C GLU A 19 2.619 -15.721 -0.348 1.00 0.00 C ATOM 303 O GLU A 19 2.661 -16.946 -0.259 1.00 0.00 O ATOM 304 CB GLU A 19 4.476 -14.637 0.883 1.00 0.00 C ATOM 305 CG GLU A 19 5.836 -13.964 0.891 1.00 0.00 C ATOM 306 CD GLU A 19 6.393 -13.845 2.297 1.00 0.00 C ATOM 307 OE1 GLU A 19 6.868 -14.866 2.839 1.00 0.00 O ATOM 308 OE2 GLU A 19 6.342 -12.741 2.877 1.00 0.00 O ATOM 0 H GLU A 19 3.825 -12.815 -0.679 1.00 0.00 H new ATOM 0 HA GLU A 19 4.622 -15.458 -1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.776 -14.014 1.439 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.553 -15.584 1.417 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.528 -14.535 0.272 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.754 -12.972 0.446 1.00 0.00 H new ATOM 315 N ASN A 20 1.490 -15.029 -0.328 1.00 0.00 N ATOM 316 CA ASN A 20 0.202 -15.650 -0.059 1.00 0.00 C ATOM 317 C ASN A 20 -0.572 -15.904 -1.350 1.00 0.00 C ATOM 318 O ASN A 20 -1.802 -15.876 -1.364 1.00 0.00 O ATOM 319 CB ASN A 20 -0.613 -14.752 0.876 1.00 0.00 C ATOM 320 CG ASN A 20 -0.103 -14.786 2.306 1.00 0.00 C ATOM 321 OD1 ASN A 20 -0.529 -15.616 3.107 1.00 0.00 O ATOM 322 ND2 ASN A 20 0.816 -13.886 2.636 1.00 0.00 N ATOM 0 H ASN A 20 1.441 -14.024 -0.497 1.00 0.00 H new ATOM 0 HA ASN A 20 0.377 -16.614 0.419 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.583 -13.727 0.507 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.656 -15.067 0.858 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.194 -13.867 3.583 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.144 -13.214 1.942 1.00 0.00 H new ATOM 329 N SER A 21 0.156 -16.199 -2.422 1.00 0.00 N ATOM 330 CA SER A 21 -0.448 -16.456 -3.726 1.00 0.00 C ATOM 331 C SER A 21 -1.302 -17.723 -3.711 1.00 0.00 C ATOM 332 O SER A 21 -2.084 -17.969 -4.634 1.00 0.00 O ATOM 333 CB SER A 21 0.641 -16.580 -4.789 1.00 0.00 C ATOM 334 OG SER A 21 1.578 -17.593 -4.446 1.00 0.00 O ATOM 0 H SER A 21 1.174 -16.267 -2.413 1.00 0.00 H new ATOM 0 HA SER A 21 -1.099 -15.614 -3.963 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.188 -16.811 -5.753 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.156 -15.626 -4.899 1.00 0.00 H new ATOM 0 HG SER A 21 2.264 -17.654 -5.143 1.00 0.00 H new ATOM 340 N ASP A 22 -1.134 -18.527 -2.664 1.00 0.00 N ATOM 341 CA ASP A 22 -1.900 -19.761 -2.493 1.00 0.00 C ATOM 342 C ASP A 22 -3.388 -19.528 -2.713 1.00 0.00 C ATOM 343 O ASP A 22 -4.067 -20.327 -3.356 1.00 0.00 O ATOM 344 CB ASP A 22 -1.669 -20.336 -1.096 1.00 0.00 C ATOM 345 CG ASP A 22 -2.505 -21.569 -0.828 1.00 0.00 C ATOM 346 OD1 ASP A 22 -2.126 -22.666 -1.295 1.00 0.00 O ATOM 347 OD2 ASP A 22 -3.538 -21.452 -0.137 1.00 0.00 O ATOM 0 H ASP A 22 -0.468 -18.344 -1.914 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.553 -20.473 -3.242 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.614 -20.585 -0.979 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.901 -19.575 -0.351 1.00 0.00 H new ATOM 352 N GLY A 23 -3.882 -18.415 -2.208 1.00 0.00 N ATOM 353 CA GLY A 23 -5.284 -18.101 -2.363 1.00 0.00 C ATOM 354 C GLY A 23 -5.499 -16.760 -3.033 1.00 0.00 C ATOM 355 O GLY A 23 -6.522 -16.112 -2.814 1.00 0.00 O ATOM 0 H GLY A 23 -3.339 -17.722 -1.693 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.766 -18.881 -2.952 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.764 -18.098 -1.384 1.00 0.00 H new ATOM 359 N ALA A 24 -4.540 -16.339 -3.854 1.00 0.00 N ATOM 360 CA ALA A 24 -4.619 -15.046 -4.514 1.00 0.00 C ATOM 361 C ALA A 24 -3.885 -15.072 -5.844 1.00 0.00 C ATOM 362 O ALA A 24 -2.737 -15.506 -5.917 1.00 0.00 O ATOM 363 CB ALA A 24 -4.042 -13.963 -3.617 1.00 0.00 C ATOM 0 H ALA A 24 -3.702 -16.876 -4.076 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.669 -14.824 -4.707 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.107 -12.999 -4.122 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.607 -13.923 -2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.998 -14.189 -3.399 1.00 0.00 H new ATOM 369 N SER A 25 -4.565 -14.626 -6.887 1.00 0.00 N ATOM 370 CA SER A 25 -3.960 -14.502 -8.203 1.00 0.00 C ATOM 371 C SER A 25 -2.996 -13.316 -8.229 1.00 0.00 C ATOM 372 O SER A 25 -3.203 -12.325 -7.522 1.00 0.00 O ATOM 373 CB SER A 25 -5.050 -14.326 -9.277 1.00 0.00 C ATOM 374 OG SER A 25 -4.484 -14.206 -10.571 1.00 0.00 O ATOM 0 H SER A 25 -5.544 -14.342 -6.847 1.00 0.00 H new ATOM 0 HA SER A 25 -3.402 -15.413 -8.419 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.729 -15.179 -9.252 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.644 -13.439 -9.054 1.00 0.00 H new ATOM 0 HG SER A 25 -5.199 -14.097 -11.232 1.00 0.00 H new ATOM 380 N LEU A 26 -1.945 -13.427 -9.040 1.00 0.00 N ATOM 381 CA LEU A 26 -0.991 -12.336 -9.220 1.00 0.00 C ATOM 382 C LEU A 26 -1.739 -11.092 -9.696 1.00 0.00 C ATOM 383 O LEU A 26 -1.425 -9.968 -9.297 1.00 0.00 O ATOM 384 CB LEU A 26 0.098 -12.752 -10.228 1.00 0.00 C ATOM 385 CG LEU A 26 1.400 -11.938 -10.199 1.00 0.00 C ATOM 386 CD1 LEU A 26 2.493 -12.689 -10.940 1.00 0.00 C ATOM 387 CD2 LEU A 26 1.212 -10.559 -10.818 1.00 0.00 C ATOM 0 H LEU A 26 -1.733 -14.264 -9.584 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.501 -12.108 -8.273 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.345 -13.799 -10.052 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.323 -12.688 -11.232 1.00 0.00 H new ATOM 0 HG LEU A 26 1.687 -11.802 -9.156 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.414 -12.107 -10.916 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.661 -13.654 -10.461 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.189 -12.846 -11.975 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.154 -10.012 -10.780 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.896 -10.666 -11.856 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.451 -10.011 -10.262 1.00 0.00 H new ATOM 399 N GLN A 27 -2.750 -11.317 -10.532 1.00 0.00 N ATOM 400 CA GLN A 27 -3.635 -10.253 -10.988 1.00 0.00 C ATOM 401 C GLN A 27 -4.268 -9.546 -9.794 1.00 0.00 C ATOM 402 O GLN A 27 -4.172 -8.331 -9.663 1.00 0.00 O ATOM 403 CB GLN A 27 -4.739 -10.838 -11.884 1.00 0.00 C ATOM 404 CG GLN A 27 -5.839 -9.849 -12.270 1.00 0.00 C ATOM 405 CD GLN A 27 -5.347 -8.721 -13.152 1.00 0.00 C ATOM 406 OE1 GLN A 27 -4.367 -8.867 -13.882 1.00 0.00 O ATOM 407 NE2 GLN A 27 -6.046 -7.602 -13.113 1.00 0.00 N ATOM 0 H GLN A 27 -2.976 -12.237 -10.909 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.050 -9.532 -11.559 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.282 -11.226 -12.794 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.194 -11.685 -11.370 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.635 -10.385 -12.787 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.275 -9.429 -11.364 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.852 -7.525 -12.492 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.780 -6.814 -13.704 1.00 0.00 H new ATOM 416 N GLN A 28 -4.884 -10.332 -8.917 1.00 0.00 N ATOM 417 CA GLN A 28 -5.648 -9.800 -7.787 1.00 0.00 C ATOM 418 C GLN A 28 -4.769 -8.971 -6.850 1.00 0.00 C ATOM 419 O GLN A 28 -5.192 -7.916 -6.374 1.00 0.00 O ATOM 420 CB GLN A 28 -6.305 -10.947 -7.005 1.00 0.00 C ATOM 421 CG GLN A 28 -7.212 -10.477 -5.876 1.00 0.00 C ATOM 422 CD GLN A 28 -8.385 -9.657 -6.374 1.00 0.00 C ATOM 423 OE1 GLN A 28 -8.871 -9.855 -7.487 1.00 0.00 O ATOM 424 NE2 GLN A 28 -8.843 -8.725 -5.557 1.00 0.00 N ATOM 0 H GLN A 28 -4.870 -11.351 -8.966 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.420 -9.145 -8.191 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.886 -11.559 -7.695 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.525 -11.586 -6.591 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.585 -11.343 -5.330 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.631 -9.882 -5.172 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.412 -8.592 -4.642 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.627 -8.138 -5.841 1.00 0.00 H new ATOM 433 N ILE A 29 -3.555 -9.444 -6.585 1.00 0.00 N ATOM 434 CA ILE A 29 -2.636 -8.734 -5.694 1.00 0.00 C ATOM 435 C ILE A 29 -2.369 -7.316 -6.200 1.00 0.00 C ATOM 436 O ILE A 29 -2.523 -6.338 -5.467 1.00 0.00 O ATOM 437 CB ILE A 29 -1.294 -9.488 -5.529 1.00 0.00 C ATOM 438 CG1 ILE A 29 -1.538 -10.890 -4.951 1.00 0.00 C ATOM 439 CG2 ILE A 29 -0.337 -8.697 -4.637 1.00 0.00 C ATOM 440 CD1 ILE A 29 -2.177 -10.883 -3.576 1.00 0.00 C ATOM 0 H ILE A 29 -3.184 -10.312 -6.971 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.120 -8.682 -4.719 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.834 -9.594 -6.511 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.177 -11.449 -5.635 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.588 -11.421 -4.897 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.600 -9.244 -4.534 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.141 -7.724 -5.087 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.787 -8.559 -3.654 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.318 -11.909 -3.235 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.530 -10.353 -2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.144 -10.382 -3.627 1.00 0.00 H new ATOM 452 N ALA A 30 -1.989 -7.217 -7.468 1.00 0.00 N ATOM 453 CA ALA A 30 -1.724 -5.926 -8.086 1.00 0.00 C ATOM 454 C ALA A 30 -3.023 -5.145 -8.277 1.00 0.00 C ATOM 455 O ALA A 30 -3.059 -3.925 -8.120 1.00 0.00 O ATOM 456 CB ALA A 30 -1.016 -6.136 -9.420 1.00 0.00 C ATOM 0 H ALA A 30 -1.858 -8.016 -8.088 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.078 -5.342 -7.431 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.818 -5.169 -9.883 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.074 -6.659 -9.254 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.649 -6.730 -10.079 1.00 0.00 H new ATOM 462 N ASN A 31 -4.087 -5.877 -8.578 1.00 0.00 N ATOM 463 CA ASN A 31 -5.399 -5.294 -8.861 1.00 0.00 C ATOM 464 C ASN A 31 -5.968 -4.590 -7.633 1.00 0.00 C ATOM 465 O ASN A 31 -6.489 -3.477 -7.732 1.00 0.00 O ATOM 466 CB ASN A 31 -6.366 -6.393 -9.322 1.00 0.00 C ATOM 467 CG ASN A 31 -7.674 -5.853 -9.866 1.00 0.00 C ATOM 468 OD1 ASN A 31 -8.642 -5.665 -9.131 1.00 0.00 O ATOM 469 ND2 ASN A 31 -7.717 -5.611 -11.166 1.00 0.00 N ATOM 0 H ASN A 31 -4.068 -6.895 -8.634 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.278 -4.554 -9.652 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.881 -6.994 -10.091 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.576 -7.057 -8.484 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.574 -5.256 -11.591 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.893 -5.779 -11.744 1.00 0.00 H new ATOM 476 N ASP A 32 -5.853 -5.240 -6.480 1.00 0.00 N ATOM 477 CA ASP A 32 -6.386 -4.701 -5.229 1.00 0.00 C ATOM 478 C ASP A 32 -5.621 -3.455 -4.808 1.00 0.00 C ATOM 479 O ASP A 32 -6.174 -2.552 -4.177 1.00 0.00 O ATOM 480 CB ASP A 32 -6.309 -5.757 -4.118 1.00 0.00 C ATOM 481 CG ASP A 32 -6.974 -5.306 -2.830 1.00 0.00 C ATOM 482 OD1 ASP A 32 -8.220 -5.296 -2.770 1.00 0.00 O ATOM 483 OD2 ASP A 32 -6.258 -4.977 -1.858 1.00 0.00 O ATOM 0 H ASP A 32 -5.393 -6.145 -6.383 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.429 -4.431 -5.394 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.782 -6.676 -4.463 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.264 -5.992 -3.919 1.00 0.00 H new ATOM 488 N LEU A 33 -4.343 -3.404 -5.170 1.00 0.00 N ATOM 489 CA LEU A 33 -3.496 -2.282 -4.821 1.00 0.00 C ATOM 490 C LEU A 33 -3.615 -1.165 -5.860 1.00 0.00 C ATOM 491 O LEU A 33 -3.404 0.010 -5.557 1.00 0.00 O ATOM 492 CB LEU A 33 -2.048 -2.752 -4.696 1.00 0.00 C ATOM 493 CG LEU A 33 -1.083 -1.712 -4.141 1.00 0.00 C ATOM 494 CD1 LEU A 33 -1.509 -1.289 -2.744 1.00 0.00 C ATOM 495 CD2 LEU A 33 0.338 -2.251 -4.126 1.00 0.00 C ATOM 0 H LEU A 33 -3.875 -4.133 -5.708 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.823 -1.879 -3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.021 -3.632 -4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.696 -3.065 -5.679 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.108 -0.837 -4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.810 -0.546 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.510 -0.860 -2.783 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.512 -2.158 -2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.011 -1.492 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.383 -3.142 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.641 -2.506 -5.141 1.00 0.00 H new ATOM 507 N GLY A 34 -3.953 -1.546 -7.086 1.00 0.00 N ATOM 508 CA GLY A 34 -4.148 -0.573 -8.143 1.00 0.00 C ATOM 509 C GLY A 34 -2.919 -0.404 -9.012 1.00 0.00 C ATOM 510 O GLY A 34 -2.757 0.620 -9.674 1.00 0.00 O ATOM 0 H GLY A 34 -4.096 -2.516 -7.367 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.989 -0.881 -8.765 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.412 0.388 -7.703 1.00 0.00 H new ATOM 514 N ILE A 35 -2.055 -1.409 -9.021 1.00 0.00 N ATOM 515 CA ILE A 35 -0.838 -1.355 -9.815 1.00 0.00 C ATOM 516 C ILE A 35 -0.845 -2.435 -10.887 1.00 0.00 C ATOM 517 O ILE A 35 -1.717 -3.301 -10.902 1.00 0.00 O ATOM 518 CB ILE A 35 0.428 -1.515 -8.946 1.00 0.00 C ATOM 519 CG1 ILE A 35 0.376 -2.827 -8.156 1.00 0.00 C ATOM 520 CG2 ILE A 35 0.584 -0.327 -8.006 1.00 0.00 C ATOM 521 CD1 ILE A 35 1.644 -3.129 -7.390 1.00 0.00 C ATOM 0 H ILE A 35 -2.175 -2.270 -8.488 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.813 -0.371 -10.283 1.00 0.00 H new ATOM 0 HB ILE A 35 1.296 -1.547 -9.604 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.459 -2.786 -7.456 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.175 -3.647 -8.845 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.482 -0.457 -7.401 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.669 0.590 -8.589 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.287 -0.262 -7.354 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.531 -4.073 -6.856 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.480 -3.203 -8.085 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.837 -2.329 -6.675 1.00 0.00 H new ATOM 533 N ASN A 36 0.124 -2.374 -11.788 1.00 0.00 N ATOM 534 CA ASN A 36 0.257 -3.358 -12.844 1.00 0.00 C ATOM 535 C ASN A 36 0.984 -4.596 -12.333 1.00 0.00 C ATOM 536 O ASN A 36 1.736 -4.525 -11.360 1.00 0.00 O ATOM 537 CB ASN A 36 1.026 -2.740 -14.013 1.00 0.00 C ATOM 538 CG ASN A 36 0.965 -3.589 -15.259 1.00 0.00 C ATOM 539 OD1 ASN A 36 1.826 -4.436 -15.497 1.00 0.00 O ATOM 540 ND2 ASN A 36 -0.058 -3.373 -16.059 1.00 0.00 N ATOM 0 H ASN A 36 0.836 -1.643 -11.805 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.735 -3.660 -13.179 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.619 -1.753 -14.230 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.068 -2.599 -13.724 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.160 -3.918 -16.915 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.749 -2.661 -15.823 1.00 0.00 H new ATOM 547 N ARG A 37 0.757 -5.730 -12.995 1.00 0.00 N ATOM 548 CA ARG A 37 1.431 -6.972 -12.657 1.00 0.00 C ATOM 549 C ARG A 37 2.944 -6.782 -12.686 1.00 0.00 C ATOM 550 O ARG A 37 3.671 -7.334 -11.858 1.00 0.00 O ATOM 551 CB ARG A 37 1.043 -8.066 -13.648 1.00 0.00 C ATOM 552 CG ARG A 37 -0.407 -8.502 -13.593 1.00 0.00 C ATOM 553 CD ARG A 37 -0.662 -9.614 -14.597 1.00 0.00 C ATOM 554 NE ARG A 37 -2.042 -10.090 -14.570 1.00 0.00 N ATOM 555 CZ ARG A 37 -2.403 -11.342 -14.854 1.00 0.00 C ATOM 556 NH1 ARG A 37 -1.489 -12.252 -15.167 1.00 0.00 N ATOM 557 NH2 ARG A 37 -3.683 -11.685 -14.829 1.00 0.00 N ATOM 0 H ARG A 37 0.104 -5.808 -13.775 1.00 0.00 H new ATOM 0 HA ARG A 37 1.126 -7.265 -11.652 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.262 -7.715 -14.656 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.674 -8.936 -13.469 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.652 -8.847 -12.588 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.057 -7.654 -13.807 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.425 -9.255 -15.599 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.010 -10.447 -14.389 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.774 -9.425 -14.319 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.502 -11.996 -15.192 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.774 -13.207 -15.383 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.392 -10.991 -14.593 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.959 -12.643 -15.046 1.00 0.00 H new ATOM 571 N VAL A 38 3.405 -5.985 -13.645 1.00 0.00 N ATOM 572 CA VAL A 38 4.831 -5.728 -13.804 1.00 0.00 C ATOM 573 C VAL A 38 5.356 -4.870 -12.657 1.00 0.00 C ATOM 574 O VAL A 38 6.437 -5.122 -12.129 1.00 0.00 O ATOM 575 CB VAL A 38 5.139 -5.042 -15.153 1.00 0.00 C ATOM 576 CG1 VAL A 38 6.634 -4.822 -15.324 1.00 0.00 C ATOM 577 CG2 VAL A 38 4.594 -5.870 -16.307 1.00 0.00 C ATOM 0 H VAL A 38 2.812 -5.507 -14.323 1.00 0.00 H new ATOM 0 HA VAL A 38 5.337 -6.694 -13.789 1.00 0.00 H new ATOM 0 HB VAL A 38 4.648 -4.069 -15.156 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.823 -4.338 -16.282 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.003 -4.188 -14.518 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.149 -5.782 -15.295 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.820 -5.372 -17.250 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.057 -6.857 -16.297 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.514 -5.975 -16.201 1.00 0.00 H new ATOM 587 N THR A 39 4.569 -3.871 -12.265 1.00 0.00 N ATOM 588 CA THR A 39 4.926 -2.993 -11.158 1.00 0.00 C ATOM 589 C THR A 39 5.147 -3.799 -9.881 1.00 0.00 C ATOM 590 O THR A 39 6.111 -3.573 -9.149 1.00 0.00 O ATOM 591 CB THR A 39 3.816 -1.957 -10.908 1.00 0.00 C ATOM 592 OG1 THR A 39 3.353 -1.433 -12.158 1.00 0.00 O ATOM 593 CG2 THR A 39 4.312 -0.820 -10.029 1.00 0.00 C ATOM 0 H THR A 39 3.674 -3.650 -12.702 1.00 0.00 H new ATOM 0 HA THR A 39 5.849 -2.479 -11.427 1.00 0.00 H new ATOM 0 HB THR A 39 2.996 -2.455 -10.391 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.645 -0.775 -11.995 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.505 -0.104 -9.870 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.638 -1.218 -9.068 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.149 -0.321 -10.517 1.00 0.00 H new ATOM 601 N LEU A 40 4.249 -4.748 -9.639 1.00 0.00 N ATOM 602 CA LEU A 40 4.345 -5.627 -8.483 1.00 0.00 C ATOM 603 C LEU A 40 5.641 -6.428 -8.526 1.00 0.00 C ATOM 604 O LEU A 40 6.392 -6.461 -7.551 1.00 0.00 O ATOM 605 CB LEU A 40 3.143 -6.574 -8.445 1.00 0.00 C ATOM 606 CG LEU A 40 3.131 -7.572 -7.286 1.00 0.00 C ATOM 607 CD1 LEU A 40 2.994 -6.852 -5.950 1.00 0.00 C ATOM 608 CD2 LEU A 40 2.009 -8.585 -7.469 1.00 0.00 C ATOM 0 H LEU A 40 3.441 -4.928 -10.235 1.00 0.00 H new ATOM 0 HA LEU A 40 4.346 -5.016 -7.581 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.233 -5.977 -8.397 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.110 -7.130 -9.382 1.00 0.00 H new ATOM 0 HG LEU A 40 4.081 -8.106 -7.285 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.988 -7.583 -5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.834 -6.170 -5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.062 -6.287 -5.935 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.014 -9.288 -6.636 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.051 -8.066 -7.500 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.157 -9.128 -8.403 1.00 0.00 H new ATOM 620 N LYS A 41 5.905 -7.050 -9.671 1.00 0.00 N ATOM 621 CA LYS A 41 7.090 -7.880 -9.847 1.00 0.00 C ATOM 622 C LYS A 41 8.359 -7.065 -9.631 1.00 0.00 C ATOM 623 O LYS A 41 9.310 -7.533 -9.003 1.00 0.00 O ATOM 624 CB LYS A 41 7.106 -8.487 -11.248 1.00 0.00 C ATOM 625 CG LYS A 41 8.150 -9.577 -11.421 1.00 0.00 C ATOM 626 CD LYS A 41 8.110 -10.184 -12.812 1.00 0.00 C ATOM 627 CE LYS A 41 9.112 -11.321 -12.949 1.00 0.00 C ATOM 628 NZ LYS A 41 9.060 -11.959 -14.290 1.00 0.00 N ATOM 0 H LYS A 41 5.308 -6.993 -10.496 1.00 0.00 H new ATOM 0 HA LYS A 41 7.056 -8.679 -9.107 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.121 -8.899 -11.469 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.292 -7.697 -11.976 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.141 -9.163 -11.234 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.985 -10.358 -10.679 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.106 -10.554 -13.021 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.326 -9.415 -13.553 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.117 -10.940 -12.769 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.914 -12.072 -12.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.759 -12.727 -14.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.109 -12.346 -14.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.275 -11.250 -15.020 1.00 0.00 H new ATOM 642 N ASN A 42 8.355 -5.850 -10.162 1.00 0.00 N ATOM 643 CA ASN A 42 9.482 -4.930 -10.010 1.00 0.00 C ATOM 644 C ASN A 42 9.835 -4.719 -8.540 1.00 0.00 C ATOM 645 O ASN A 42 11.011 -4.723 -8.169 1.00 0.00 O ATOM 646 CB ASN A 42 9.173 -3.577 -10.661 1.00 0.00 C ATOM 647 CG ASN A 42 9.209 -3.630 -12.178 1.00 0.00 C ATOM 648 OD1 ASN A 42 9.916 -4.447 -12.768 1.00 0.00 O ATOM 649 ND2 ASN A 42 8.461 -2.748 -12.825 1.00 0.00 N ATOM 0 H ASN A 42 7.579 -5.473 -10.706 1.00 0.00 H new ATOM 0 HA ASN A 42 10.337 -5.383 -10.512 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.188 -3.240 -10.337 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.894 -2.838 -10.311 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.459 -2.732 -13.845 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.887 -2.086 -12.303 1.00 0.00 H new ATOM 656 N TRP A 43 8.818 -4.538 -7.703 1.00 0.00 N ATOM 657 CA TRP A 43 9.033 -4.352 -6.272 1.00 0.00 C ATOM 658 C TRP A 43 9.515 -5.647 -5.629 1.00 0.00 C ATOM 659 O TRP A 43 10.402 -5.635 -4.775 1.00 0.00 O ATOM 660 CB TRP A 43 7.752 -3.875 -5.578 1.00 0.00 C ATOM 661 CG TRP A 43 7.319 -2.499 -5.984 1.00 0.00 C ATOM 662 CD1 TRP A 43 8.022 -1.600 -6.734 1.00 0.00 C ATOM 663 CD2 TRP A 43 6.081 -1.862 -5.650 1.00 0.00 C ATOM 664 NE1 TRP A 43 7.297 -0.445 -6.887 1.00 0.00 N ATOM 665 CE2 TRP A 43 6.099 -0.583 -6.237 1.00 0.00 C ATOM 666 CE3 TRP A 43 4.957 -2.251 -4.919 1.00 0.00 C ATOM 667 CZ2 TRP A 43 5.036 0.307 -6.107 1.00 0.00 C ATOM 668 CZ3 TRP A 43 3.904 -1.369 -4.790 1.00 0.00 C ATOM 669 CH2 TRP A 43 3.948 -0.104 -5.385 1.00 0.00 C ATOM 0 H TRP A 43 7.839 -4.516 -7.990 1.00 0.00 H new ATOM 0 HA TRP A 43 9.799 -3.586 -6.150 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.948 -4.578 -5.797 1.00 0.00 H new ATOM 0 HB3 TRP A 43 7.906 -3.893 -4.499 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.005 -1.773 -7.146 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.601 0.382 -7.401 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.912 -3.228 -4.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.069 1.287 -6.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.033 -1.660 -4.221 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.106 0.563 -5.272 1.00 0.00 H new ATOM 680 N ILE A 44 8.932 -6.762 -6.054 1.00 0.00 N ATOM 681 CA ILE A 44 9.286 -8.074 -5.518 1.00 0.00 C ATOM 682 C ILE A 44 10.772 -8.364 -5.709 1.00 0.00 C ATOM 683 O ILE A 44 11.451 -8.782 -4.777 1.00 0.00 O ATOM 684 CB ILE A 44 8.459 -9.202 -6.176 1.00 0.00 C ATOM 685 CG1 ILE A 44 6.971 -8.977 -5.920 1.00 0.00 C ATOM 686 CG2 ILE A 44 8.884 -10.565 -5.639 1.00 0.00 C ATOM 687 CD1 ILE A 44 6.071 -9.920 -6.683 1.00 0.00 C ATOM 0 H ILE A 44 8.208 -6.785 -6.772 1.00 0.00 H new ATOM 0 HA ILE A 44 9.058 -8.049 -4.452 1.00 0.00 H new ATOM 0 HB ILE A 44 8.642 -9.183 -7.250 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.775 -9.086 -4.853 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.717 -7.951 -6.187 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.290 -11.345 -6.115 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.939 -10.729 -5.857 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.727 -10.596 -4.561 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.030 -9.698 -6.449 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.237 -9.795 -7.753 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.296 -10.948 -6.398 1.00 0.00 H new ATOM 699 N ILE A 45 11.272 -8.117 -6.912 1.00 0.00 N ATOM 700 CA ILE A 45 12.672 -8.377 -7.225 1.00 0.00 C ATOM 701 C ILE A 45 13.591 -7.440 -6.439 1.00 0.00 C ATOM 702 O ILE A 45 14.622 -7.859 -5.909 1.00 0.00 O ATOM 703 CB ILE A 45 12.947 -8.221 -8.739 1.00 0.00 C ATOM 704 CG1 ILE A 45 12.056 -9.175 -9.541 1.00 0.00 C ATOM 705 CG2 ILE A 45 14.416 -8.475 -9.053 1.00 0.00 C ATOM 706 CD1 ILE A 45 12.161 -8.993 -11.042 1.00 0.00 C ATOM 0 H ILE A 45 10.730 -7.737 -7.688 1.00 0.00 H new ATOM 0 HA ILE A 45 12.882 -9.407 -6.936 1.00 0.00 H new ATOM 0 HB ILE A 45 12.711 -7.196 -9.026 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.320 -10.202 -9.289 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.019 -9.030 -9.238 1.00 0.00 H new ATOM 0 HG21 ILE A 45 14.584 -8.359 -10.124 1.00 0.00 H new ATOM 0 HG22 ILE A 45 15.033 -7.760 -8.509 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.683 -9.488 -8.751 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.502 -9.703 -11.542 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.868 -7.977 -11.307 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.189 -9.168 -11.359 1.00 0.00 H new ATOM 718 N LYS A 46 13.191 -6.180 -6.340 1.00 0.00 N ATOM 719 CA LYS A 46 14.012 -5.161 -5.709 1.00 0.00 C ATOM 720 C LYS A 46 14.063 -5.300 -4.186 1.00 0.00 C ATOM 721 O LYS A 46 15.119 -5.125 -3.574 1.00 0.00 O ATOM 722 CB LYS A 46 13.491 -3.778 -6.089 1.00 0.00 C ATOM 723 CG LYS A 46 13.895 -3.339 -7.487 1.00 0.00 C ATOM 724 CD LYS A 46 13.317 -1.978 -7.836 1.00 0.00 C ATOM 725 CE LYS A 46 13.943 -1.416 -9.104 1.00 0.00 C ATOM 726 NZ LYS A 46 13.692 -2.278 -10.292 1.00 0.00 N ATOM 0 H LYS A 46 12.296 -5.839 -6.692 1.00 0.00 H new ATOM 0 HA LYS A 46 15.031 -5.294 -6.073 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.403 -3.776 -6.017 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.860 -3.049 -5.367 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.982 -3.302 -7.557 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.554 -4.077 -8.213 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.238 -2.062 -7.968 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.484 -1.287 -7.009 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.544 -0.419 -9.291 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.018 -1.307 -8.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.064 -1.812 -11.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.167 -3.194 -10.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.669 -2.431 -10.400 1.00 0.00 H new ATOM 740 N TYR A 47 12.927 -5.598 -3.575 1.00 0.00 N ATOM 741 CA TYR A 47 12.843 -5.637 -2.120 1.00 0.00 C ATOM 742 C TYR A 47 12.913 -7.065 -1.575 1.00 0.00 C ATOM 743 O TYR A 47 13.373 -7.282 -0.455 1.00 0.00 O ATOM 744 CB TYR A 47 11.564 -4.938 -1.654 1.00 0.00 C ATOM 745 CG TYR A 47 11.524 -3.466 -2.012 1.00 0.00 C ATOM 746 CD1 TYR A 47 12.082 -2.511 -1.172 1.00 0.00 C ATOM 747 CD2 TYR A 47 10.943 -3.035 -3.199 1.00 0.00 C ATOM 748 CE1 TYR A 47 12.057 -1.169 -1.502 1.00 0.00 C ATOM 749 CE2 TYR A 47 10.917 -1.696 -3.536 1.00 0.00 C ATOM 750 CZ TYR A 47 11.474 -0.765 -2.684 1.00 0.00 C ATOM 751 OH TYR A 47 11.451 0.573 -3.018 1.00 0.00 O ATOM 0 H TYR A 47 12.055 -5.815 -4.058 1.00 0.00 H new ATOM 0 HA TYR A 47 13.708 -5.106 -1.722 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.703 -5.437 -2.098 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.472 -5.045 -0.573 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.543 -2.822 -0.246 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.504 -3.760 -3.869 1.00 0.00 H new ATOM 0 HE1 TYR A 47 12.493 -0.439 -0.836 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.462 -1.379 -4.463 1.00 0.00 H new ATOM 0 HH TYR A 47 12.233 1.020 -2.632 1.00 0.00 H new ATOM 761 N GLY A 48 12.463 -8.030 -2.362 1.00 0.00 N ATOM 762 CA GLY A 48 12.518 -9.419 -1.945 1.00 0.00 C ATOM 763 C GLY A 48 13.444 -10.234 -2.817 1.00 0.00 C ATOM 764 O GLY A 48 13.035 -11.230 -3.414 1.00 0.00 O ATOM 0 H GLY A 48 12.059 -7.877 -3.286 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.853 -9.474 -0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.517 -9.848 -1.979 1.00 0.00 H new ATOM 768 N SER A 49 14.701 -9.817 -2.881 1.00 0.00 N ATOM 769 CA SER A 49 15.680 -10.452 -3.751 1.00 0.00 C ATOM 770 C SER A 49 16.058 -11.846 -3.247 1.00 0.00 C ATOM 771 O SER A 49 16.505 -12.692 -4.023 1.00 0.00 O ATOM 772 CB SER A 49 16.929 -9.580 -3.834 1.00 0.00 C ATOM 773 OG SER A 49 16.588 -8.219 -4.061 1.00 0.00 O ATOM 0 H SER A 49 15.068 -9.036 -2.337 1.00 0.00 H new ATOM 0 HA SER A 49 15.235 -10.561 -4.740 1.00 0.00 H new ATOM 0 HB2 SER A 49 17.499 -9.666 -2.909 1.00 0.00 H new ATOM 0 HB3 SER A 49 17.572 -9.936 -4.639 1.00 0.00 H new ATOM 0 HG SER A 49 15.879 -8.168 -4.735 1.00 0.00 H new ATOM 779 N ASN A 50 15.891 -12.071 -1.945 1.00 0.00 N ATOM 780 CA ASN A 50 16.264 -13.340 -1.330 1.00 0.00 C ATOM 781 C ASN A 50 15.437 -14.487 -1.892 1.00 0.00 C ATOM 782 O ASN A 50 15.994 -15.448 -2.426 1.00 0.00 O ATOM 783 CB ASN A 50 16.111 -13.263 0.190 1.00 0.00 C ATOM 784 CG ASN A 50 17.141 -12.350 0.820 1.00 0.00 C ATOM 785 OD1 ASN A 50 16.942 -11.139 0.911 1.00 0.00 O ATOM 786 ND2 ASN A 50 18.258 -12.919 1.248 1.00 0.00 N ATOM 0 H ASN A 50 15.499 -11.389 -1.296 1.00 0.00 H new ATOM 0 HA ASN A 50 17.310 -13.534 -1.566 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.111 -12.905 0.436 1.00 0.00 H new ATOM 0 HB3 ASN A 50 16.205 -14.263 0.615 1.00 0.00 H new ATOM 0 HD21 ASN A 50 18.991 -12.349 1.671 1.00 0.00 H new ATOM 0 HD22 ASN A 50 18.385 -13.927 1.155 1.00 0.00 H new ATOM 793 N HIS A 51 14.110 -14.385 -1.767 1.00 0.00 N ATOM 794 CA HIS A 51 13.195 -15.391 -2.315 1.00 0.00 C ATOM 795 C HIS A 51 13.452 -16.751 -1.661 1.00 0.00 C ATOM 796 O HIS A 51 13.151 -17.804 -2.220 1.00 0.00 O ATOM 797 CB HIS A 51 13.363 -15.460 -3.840 1.00 0.00 C ATOM 798 CG HIS A 51 12.304 -16.243 -4.561 1.00 0.00 C ATOM 799 ND1 HIS A 51 10.998 -15.823 -4.676 1.00 0.00 N ATOM 800 CD2 HIS A 51 12.372 -17.422 -5.224 1.00 0.00 C ATOM 801 CE1 HIS A 51 10.311 -16.706 -5.375 1.00 0.00 C ATOM 802 NE2 HIS A 51 11.121 -17.687 -5.721 1.00 0.00 N ATOM 0 H HIS A 51 13.644 -13.613 -1.289 1.00 0.00 H new ATOM 0 HA HIS A 51 12.165 -15.109 -2.096 1.00 0.00 H new ATOM 0 HB2 HIS A 51 13.375 -14.444 -4.235 1.00 0.00 H new ATOM 0 HB3 HIS A 51 14.335 -15.900 -4.064 1.00 0.00 H new ATOM 0 HD2 HIS A 51 13.250 -18.040 -5.340 1.00 0.00 H new ATOM 0 HE1 HIS A 51 9.262 -16.637 -5.622 1.00 0.00 H new ATOM 0 HE2 HIS A 51 10.861 -18.508 -6.268 1.00 0.00 H new ATOM 811 N ASN A 52 13.986 -16.697 -0.456 1.00 0.00 N ATOM 812 CA ASN A 52 14.375 -17.881 0.284 1.00 0.00 C ATOM 813 C ASN A 52 13.160 -18.509 0.947 1.00 0.00 C ATOM 814 O ASN A 52 12.841 -18.234 2.107 1.00 0.00 O ATOM 815 CB ASN A 52 15.442 -17.523 1.323 1.00 0.00 C ATOM 816 CG ASN A 52 15.886 -18.711 2.157 1.00 0.00 C ATOM 817 OD1 ASN A 52 15.352 -18.963 3.237 1.00 0.00 O ATOM 818 ND2 ASN A 52 16.868 -19.445 1.662 1.00 0.00 N ATOM 0 H ASN A 52 14.163 -15.824 0.040 1.00 0.00 H new ATOM 0 HA ASN A 52 14.799 -18.610 -0.407 1.00 0.00 H new ATOM 0 HB2 ASN A 52 16.308 -17.100 0.814 1.00 0.00 H new ATOM 0 HB3 ASN A 52 15.051 -16.749 1.984 1.00 0.00 H new ATOM 0 HD21 ASN A 52 17.210 -20.255 2.179 1.00 0.00 H new ATOM 0 HD22 ASN A 52 17.283 -19.202 0.763 1.00 0.00 H new ATOM 825 N VAL A 53 12.437 -19.286 0.163 1.00 0.00 N ATOM 826 CA VAL A 53 11.261 -19.996 0.649 1.00 0.00 C ATOM 827 C VAL A 53 11.646 -21.154 1.569 1.00 0.00 C ATOM 828 O VAL A 53 10.980 -21.411 2.569 1.00 0.00 O ATOM 829 CB VAL A 53 10.384 -20.521 -0.512 1.00 0.00 C ATOM 830 CG1 VAL A 53 9.740 -19.362 -1.259 1.00 0.00 C ATOM 831 CG2 VAL A 53 11.198 -21.384 -1.472 1.00 0.00 C ATOM 0 H VAL A 53 12.643 -19.445 -0.823 1.00 0.00 H new ATOM 0 HA VAL A 53 10.678 -19.273 1.220 1.00 0.00 H new ATOM 0 HB VAL A 53 9.598 -21.143 -0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.127 -19.749 -2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 53 9.115 -18.790 -0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 53 10.517 -18.715 -1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 53 10.555 -21.738 -2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 53 12.012 -20.793 -1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.609 -22.238 -0.934 1.00 0.00 H new ATOM 841 N GLN A 54 12.733 -21.835 1.238 1.00 0.00 N ATOM 842 CA GLN A 54 13.206 -22.951 2.043 1.00 0.00 C ATOM 843 C GLN A 54 14.171 -22.459 3.114 1.00 0.00 C ATOM 844 O GLN A 54 15.126 -21.747 2.813 1.00 0.00 O ATOM 845 CB GLN A 54 13.877 -24.005 1.159 1.00 0.00 C ATOM 846 CG GLN A 54 12.905 -24.762 0.268 1.00 0.00 C ATOM 847 CD GLN A 54 11.902 -25.583 1.059 1.00 0.00 C ATOM 848 OE1 GLN A 54 12.155 -26.739 1.394 1.00 0.00 O ATOM 849 NE2 GLN A 54 10.753 -24.996 1.350 1.00 0.00 N ATOM 0 H GLN A 54 13.304 -21.634 0.417 1.00 0.00 H new ATOM 0 HA GLN A 54 12.349 -23.412 2.534 1.00 0.00 H new ATOM 0 HB2 GLN A 54 14.626 -23.519 0.534 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.404 -24.717 1.794 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.370 -24.053 -0.364 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.465 -25.421 -0.396 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.582 -24.035 1.054 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.038 -25.504 1.871 1.00 0.00 H new ATOM 858 N GLY A 55 13.927 -22.870 4.354 1.00 0.00 N ATOM 859 CA GLY A 55 14.687 -22.356 5.484 1.00 0.00 C ATOM 860 C GLY A 55 16.104 -22.899 5.564 1.00 0.00 C ATOM 861 O GLY A 55 16.782 -22.714 6.577 1.00 0.00 O ATOM 0 H GLY A 55 13.212 -23.555 4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.727 -21.269 5.419 1.00 0.00 H new ATOM 0 HA3 GLY A 55 14.161 -22.601 6.406 1.00 0.00 H new ATOM 865 N THR A 56 16.546 -23.568 4.500 1.00 0.00 N ATOM 866 CA THR A 56 17.904 -24.084 4.393 1.00 0.00 C ATOM 867 C THR A 56 18.109 -25.297 5.296 1.00 0.00 C ATOM 868 O THR A 56 18.035 -25.212 6.526 1.00 0.00 O ATOM 869 CB THR A 56 18.958 -23.016 4.716 1.00 0.00 C ATOM 870 OG1 THR A 56 18.577 -21.762 4.128 1.00 0.00 O ATOM 871 CG2 THR A 56 20.331 -23.424 4.195 1.00 0.00 C ATOM 0 H THR A 56 15.966 -23.767 3.685 1.00 0.00 H new ATOM 0 HA THR A 56 18.036 -24.387 3.354 1.00 0.00 H new ATOM 0 HB THR A 56 19.016 -22.914 5.800 1.00 0.00 H new ATOM 0 HG1 THR A 56 19.252 -21.083 4.339 1.00 0.00 H new ATOM 0 HG21 THR A 56 21.058 -22.649 4.438 1.00 0.00 H new ATOM 0 HG22 THR A 56 20.633 -24.363 4.660 1.00 0.00 H new ATOM 0 HG23 THR A 56 20.286 -23.553 3.114 1.00 0.00 H new ATOM 879 N THR A 57 18.359 -26.419 4.663 1.00 0.00 N ATOM 880 CA THR A 57 18.586 -27.673 5.362 1.00 0.00 C ATOM 881 C THR A 57 20.083 -27.941 5.491 1.00 0.00 C ATOM 882 O THR A 57 20.804 -27.937 4.494 1.00 0.00 O ATOM 883 CB THR A 57 17.913 -28.840 4.612 1.00 0.00 C ATOM 884 OG1 THR A 57 16.547 -28.506 4.330 1.00 0.00 O ATOM 885 CG2 THR A 57 17.963 -30.120 5.432 1.00 0.00 C ATOM 0 H THR A 57 18.412 -26.494 3.647 1.00 0.00 H new ATOM 0 HA THR A 57 18.148 -27.594 6.357 1.00 0.00 H new ATOM 0 HB THR A 57 18.455 -29.006 3.681 1.00 0.00 H new ATOM 0 HG1 THR A 57 16.121 -29.248 3.852 1.00 0.00 H new ATOM 0 HG21 THR A 57 17.481 -30.926 4.878 1.00 0.00 H new ATOM 0 HG22 THR A 57 19.002 -30.386 5.629 1.00 0.00 H new ATOM 0 HG23 THR A 57 17.442 -29.967 6.377 1.00 0.00 H new ATOM 893 N PRO A 58 20.571 -28.155 6.724 1.00 0.00 N ATOM 894 CA PRO A 58 21.991 -28.428 6.977 1.00 0.00 C ATOM 895 C PRO A 58 22.427 -29.808 6.481 1.00 0.00 C ATOM 896 O PRO A 58 21.609 -30.724 6.352 1.00 0.00 O ATOM 897 CB PRO A 58 22.099 -28.349 8.498 1.00 0.00 C ATOM 898 CG PRO A 58 20.735 -28.680 8.997 1.00 0.00 C ATOM 899 CD PRO A 58 19.777 -28.145 7.969 1.00 0.00 C ATOM 0 HA PRO A 58 22.637 -27.726 6.449 1.00 0.00 H new ATOM 0 HB2 PRO A 58 22.840 -29.052 8.878 1.00 0.00 H new ATOM 0 HB3 PRO A 58 22.407 -27.355 8.821 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.615 -29.756 9.120 1.00 0.00 H new ATOM 0 HG3 PRO A 58 20.555 -28.226 9.972 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.888 -28.770 7.884 1.00 0.00 H new ATOM 0 HD3 PRO A 58 19.437 -27.140 8.221 1.00 0.00 H new ATOM 907 N SER A 59 23.728 -29.955 6.239 1.00 0.00 N ATOM 908 CA SER A 59 24.292 -31.193 5.704 1.00 0.00 C ATOM 909 C SER A 59 24.152 -32.352 6.692 1.00 0.00 C ATOM 910 O SER A 59 24.149 -33.518 6.299 1.00 0.00 O ATOM 911 CB SER A 59 25.767 -30.980 5.363 1.00 0.00 C ATOM 912 OG SER A 59 25.929 -29.862 4.506 1.00 0.00 O ATOM 0 H SER A 59 24.418 -29.223 6.407 1.00 0.00 H new ATOM 0 HA SER A 59 23.736 -31.454 4.804 1.00 0.00 H new ATOM 0 HB2 SER A 59 26.338 -30.828 6.279 1.00 0.00 H new ATOM 0 HB3 SER A 59 26.167 -31.873 4.883 1.00 0.00 H new ATOM 0 HG SER A 59 26.880 -29.742 4.301 1.00 0.00 H new ATOM 918 N ALA A 60 24.023 -32.028 7.970 1.00 0.00 N ATOM 919 CA ALA A 60 23.895 -33.040 9.012 1.00 0.00 C ATOM 920 C ALA A 60 22.661 -33.915 8.816 1.00 0.00 C ATOM 921 O ALA A 60 22.606 -35.040 9.313 1.00 0.00 O ATOM 922 CB ALA A 60 23.860 -32.384 10.381 1.00 0.00 C ATOM 0 H ALA A 60 24.004 -31.068 8.313 1.00 0.00 H new ATOM 0 HA ALA A 60 24.769 -33.688 8.943 1.00 0.00 H new ATOM 0 HB1 ALA A 60 23.764 -33.151 11.150 1.00 0.00 H new ATOM 0 HB2 ALA A 60 24.782 -31.824 10.540 1.00 0.00 H new ATOM 0 HB3 ALA A 60 23.009 -31.705 10.438 1.00 0.00 H new ATOM 928 N ALA A 61 21.685 -33.409 8.079 1.00 0.00 N ATOM 929 CA ALA A 61 20.447 -34.143 7.855 1.00 0.00 C ATOM 930 C ALA A 61 20.587 -35.130 6.697 1.00 0.00 C ATOM 931 O ALA A 61 19.688 -35.930 6.436 1.00 0.00 O ATOM 932 CB ALA A 61 19.294 -33.184 7.601 1.00 0.00 C ATOM 0 H ALA A 61 21.724 -32.496 7.626 1.00 0.00 H new ATOM 0 HA ALA A 61 20.232 -34.715 8.758 1.00 0.00 H new ATOM 0 HB1 ALA A 61 18.378 -33.752 7.436 1.00 0.00 H new ATOM 0 HB2 ALA A 61 19.166 -32.532 8.465 1.00 0.00 H new ATOM 0 HB3 ALA A 61 19.510 -32.580 6.720 1.00 0.00 H new ATOM 938 N VAL A 62 21.728 -35.084 6.026 1.00 0.00 N ATOM 939 CA VAL A 62 21.993 -35.969 4.896 1.00 0.00 C ATOM 940 C VAL A 62 22.433 -37.338 5.395 1.00 0.00 C ATOM 941 O VAL A 62 22.006 -38.378 4.881 1.00 0.00 O ATOM 942 CB VAL A 62 23.072 -35.387 3.948 1.00 0.00 C ATOM 943 CG1 VAL A 62 23.333 -36.328 2.780 1.00 0.00 C ATOM 944 CG2 VAL A 62 22.656 -34.011 3.443 1.00 0.00 C ATOM 0 H VAL A 62 22.490 -34.441 6.244 1.00 0.00 H new ATOM 0 HA VAL A 62 21.066 -36.064 4.331 1.00 0.00 H new ATOM 0 HB VAL A 62 23.998 -35.282 4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 62 24.094 -35.898 2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 62 23.681 -37.289 3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 62 22.412 -36.472 2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 62 23.426 -33.619 2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 62 21.715 -34.092 2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 62 22.529 -33.336 4.289 1.00 0.00 H new ATOM 954 N SER A 63 23.265 -37.331 6.420 1.00 0.00 N ATOM 955 CA SER A 63 23.755 -38.563 7.014 1.00 0.00 C ATOM 956 C SER A 63 22.642 -39.267 7.789 1.00 0.00 C ATOM 957 O SER A 63 22.583 -40.498 7.830 1.00 0.00 O ATOM 958 CB SER A 63 24.934 -38.260 7.937 1.00 0.00 C ATOM 959 OG SER A 63 25.951 -37.548 7.248 1.00 0.00 O ATOM 0 H SER A 63 23.618 -36.482 6.861 1.00 0.00 H new ATOM 0 HA SER A 63 24.088 -39.227 6.217 1.00 0.00 H new ATOM 0 HB2 SER A 63 24.591 -37.676 8.791 1.00 0.00 H new ATOM 0 HB3 SER A 63 25.341 -39.191 8.331 1.00 0.00 H new ATOM 0 HG SER A 63 26.694 -37.364 7.860 1.00 0.00 H new ATOM 965 N GLU A 64 21.756 -38.476 8.388 1.00 0.00 N ATOM 966 CA GLU A 64 20.628 -39.015 9.131 1.00 0.00 C ATOM 967 C GLU A 64 19.608 -39.623 8.179 1.00 0.00 C ATOM 968 O GLU A 64 19.003 -40.652 8.474 1.00 0.00 O ATOM 969 CB GLU A 64 19.985 -37.921 9.986 1.00 0.00 C ATOM 970 CG GLU A 64 18.753 -38.378 10.754 1.00 0.00 C ATOM 971 CD GLU A 64 18.214 -37.315 11.689 1.00 0.00 C ATOM 972 OE1 GLU A 64 18.254 -36.121 11.326 1.00 0.00 O ATOM 973 OE2 GLU A 64 17.764 -37.663 12.804 1.00 0.00 O ATOM 0 H GLU A 64 21.800 -37.457 8.371 1.00 0.00 H new ATOM 0 HA GLU A 64 20.989 -39.802 9.793 1.00 0.00 H new ATOM 0 HB2 GLU A 64 20.724 -37.547 10.695 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.710 -37.086 9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.974 -38.661 10.046 1.00 0.00 H new ATOM 0 HG3 GLU A 64 19.000 -39.270 11.330 1.00 0.00 H new ATOM 980 N ALA A 65 19.458 -38.996 7.019 1.00 0.00 N ATOM 981 CA ALA A 65 18.540 -39.470 5.990 1.00 0.00 C ATOM 982 C ALA A 65 18.880 -40.892 5.570 1.00 0.00 C ATOM 983 O ALA A 65 17.989 -41.687 5.284 1.00 0.00 O ATOM 984 CB ALA A 65 18.558 -38.539 4.785 1.00 0.00 C ATOM 0 H ALA A 65 19.966 -38.149 6.765 1.00 0.00 H new ATOM 0 HA ALA A 65 17.534 -39.472 6.411 1.00 0.00 H new ATOM 0 HB1 ALA A 65 17.867 -38.910 4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 65 18.255 -37.538 5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 65 19.565 -38.501 4.369 1.00 0.00 H new ATOM 990 N GLU A 66 20.172 -41.212 5.554 1.00 0.00 N ATOM 991 CA GLU A 66 20.627 -42.563 5.235 1.00 0.00 C ATOM 992 C GLU A 66 20.025 -43.563 6.219 1.00 0.00 C ATOM 993 O GLU A 66 19.470 -44.594 5.829 1.00 0.00 O ATOM 994 CB GLU A 66 22.153 -42.637 5.313 1.00 0.00 C ATOM 995 CG GLU A 66 22.711 -44.013 4.972 1.00 0.00 C ATOM 996 CD GLU A 66 23.999 -44.318 5.707 1.00 0.00 C ATOM 997 OE1 GLU A 66 24.908 -43.461 5.710 1.00 0.00 O ATOM 998 OE2 GLU A 66 24.103 -45.416 6.302 1.00 0.00 O ATOM 0 H GLU A 66 20.923 -40.553 5.759 1.00 0.00 H new ATOM 0 HA GLU A 66 20.304 -42.808 4.223 1.00 0.00 H new ATOM 0 HB2 GLU A 66 22.580 -41.901 4.632 1.00 0.00 H new ATOM 0 HB3 GLU A 66 22.472 -42.363 6.319 1.00 0.00 H new ATOM 0 HG2 GLU A 66 21.969 -44.773 5.217 1.00 0.00 H new ATOM 0 HG3 GLU A 66 22.887 -44.074 3.898 1.00 0.00 H new ATOM 1005 N GLN A 67 20.124 -43.231 7.498 1.00 0.00 N ATOM 1006 CA GLN A 67 19.626 -44.086 8.563 1.00 0.00 C ATOM 1007 C GLN A 67 18.102 -44.131 8.527 1.00 0.00 C ATOM 1008 O GLN A 67 17.488 -45.153 8.837 1.00 0.00 O ATOM 1009 CB GLN A 67 20.131 -43.562 9.909 1.00 0.00 C ATOM 1010 CG GLN A 67 21.648 -43.489 9.978 1.00 0.00 C ATOM 1011 CD GLN A 67 22.147 -42.639 11.127 1.00 0.00 C ATOM 1012 OE1 GLN A 67 21.503 -42.539 12.169 1.00 0.00 O ATOM 1013 NE2 GLN A 67 23.304 -42.019 10.938 1.00 0.00 N ATOM 0 H GLN A 67 20.551 -42.364 7.825 1.00 0.00 H new ATOM 0 HA GLN A 67 19.994 -45.102 8.424 1.00 0.00 H new ATOM 0 HB2 GLN A 67 19.715 -42.570 10.087 1.00 0.00 H new ATOM 0 HB3 GLN A 67 19.766 -44.209 10.706 1.00 0.00 H new ATOM 0 HG2 GLN A 67 22.051 -44.497 10.077 1.00 0.00 H new ATOM 0 HG3 GLN A 67 22.030 -43.084 9.041 1.00 0.00 H new ATOM 0 HE21 GLN A 67 23.805 -42.131 10.056 1.00 0.00 H new ATOM 0 HE22 GLN A 67 23.693 -41.430 11.674 1.00 0.00 H new ATOM 1022 N ILE A 68 17.503 -43.020 8.126 1.00 0.00 N ATOM 1023 CA ILE A 68 16.061 -42.941 7.943 1.00 0.00 C ATOM 1024 C ILE A 68 15.599 -43.903 6.843 1.00 0.00 C ATOM 1025 O ILE A 68 14.566 -44.562 6.977 1.00 0.00 O ATOM 1026 CB ILE A 68 15.625 -41.490 7.610 1.00 0.00 C ATOM 1027 CG1 ILE A 68 15.865 -40.577 8.817 1.00 0.00 C ATOM 1028 CG2 ILE A 68 14.166 -41.432 7.181 1.00 0.00 C ATOM 1029 CD1 ILE A 68 15.130 -41.006 10.071 1.00 0.00 C ATOM 0 H ILE A 68 17.999 -42.153 7.919 1.00 0.00 H new ATOM 0 HA ILE A 68 15.587 -43.235 8.880 1.00 0.00 H new ATOM 0 HB ILE A 68 16.230 -41.140 6.774 1.00 0.00 H new ATOM 0 HG12 ILE A 68 16.934 -40.545 9.028 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.560 -39.563 8.559 1.00 0.00 H new ATOM 0 HG21 ILE A 68 13.894 -40.401 6.955 1.00 0.00 H new ATOM 0 HG22 ILE A 68 14.023 -42.048 6.293 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.535 -41.806 7.987 1.00 0.00 H new ATOM 0 HD11 ILE A 68 15.352 -40.309 10.879 1.00 0.00 H new ATOM 0 HD12 ILE A 68 14.057 -41.011 9.880 1.00 0.00 H new ATOM 0 HD13 ILE A 68 15.452 -42.007 10.357 1.00 0.00 H new ATOM 1041 N ARG A 69 16.379 -43.999 5.768 1.00 0.00 N ATOM 1042 CA ARG A 69 16.060 -44.917 4.673 1.00 0.00 C ATOM 1043 C ARG A 69 16.096 -46.361 5.166 1.00 0.00 C ATOM 1044 O ARG A 69 15.308 -47.203 4.729 1.00 0.00 O ATOM 1045 CB ARG A 69 17.041 -44.751 3.506 1.00 0.00 C ATOM 1046 CG ARG A 69 17.118 -43.338 2.953 1.00 0.00 C ATOM 1047 CD ARG A 69 18.069 -43.262 1.768 1.00 0.00 C ATOM 1048 NE ARG A 69 18.413 -41.885 1.417 1.00 0.00 N ATOM 1049 CZ ARG A 69 18.192 -41.339 0.223 1.00 0.00 C ATOM 1050 NH1 ARG A 69 17.547 -42.022 -0.714 1.00 0.00 N ATOM 1051 NH2 ARG A 69 18.607 -40.105 -0.020 1.00 0.00 N ATOM 0 H ARG A 69 17.232 -43.457 5.631 1.00 0.00 H new ATOM 0 HA ARG A 69 15.057 -44.677 4.320 1.00 0.00 H new ATOM 0 HB2 ARG A 69 18.035 -45.055 3.835 1.00 0.00 H new ATOM 0 HB3 ARG A 69 16.751 -45.428 2.703 1.00 0.00 H new ATOM 0 HG2 ARG A 69 16.125 -43.010 2.647 1.00 0.00 H new ATOM 0 HG3 ARG A 69 17.452 -42.656 3.735 1.00 0.00 H new ATOM 0 HD2 ARG A 69 18.980 -43.813 2.001 1.00 0.00 H new ATOM 0 HD3 ARG A 69 17.612 -43.750 0.907 1.00 0.00 H new ATOM 0 HE ARG A 69 18.851 -41.305 2.133 1.00 0.00 H new ATOM 0 HH11 ARG A 69 17.219 -42.968 -0.521 1.00 0.00 H new ATOM 0 HH12 ARG A 69 17.379 -41.601 -1.628 1.00 0.00 H new ATOM 0 HH21 ARG A 69 19.093 -39.578 0.706 1.00 0.00 H new ATOM 0 HH22 ARG A 69 18.441 -39.681 -0.933 1.00 0.00 H new ATOM 1065 N GLN A 70 17.016 -46.638 6.079 1.00 0.00 N ATOM 1066 CA GLN A 70 17.150 -47.958 6.666 1.00 0.00 C ATOM 1067 C GLN A 70 15.908 -48.298 7.493 1.00 0.00 C ATOM 1068 O GLN A 70 15.297 -49.352 7.315 1.00 0.00 O ATOM 1069 CB GLN A 70 18.393 -47.984 7.554 1.00 0.00 C ATOM 1070 CG GLN A 70 19.128 -49.313 7.573 1.00 0.00 C ATOM 1071 CD GLN A 70 18.260 -50.477 8.005 1.00 0.00 C ATOM 1072 OE1 GLN A 70 17.650 -51.150 7.176 1.00 0.00 O ATOM 1073 NE2 GLN A 70 18.189 -50.713 9.301 1.00 0.00 N ATOM 0 H GLN A 70 17.687 -45.955 6.431 1.00 0.00 H new ATOM 0 HA GLN A 70 17.250 -48.699 5.873 1.00 0.00 H new ATOM 0 HB2 GLN A 70 19.081 -47.208 7.217 1.00 0.00 H new ATOM 0 HB3 GLN A 70 18.101 -47.731 8.573 1.00 0.00 H new ATOM 0 HG2 GLN A 70 19.524 -49.515 6.578 1.00 0.00 H new ATOM 0 HG3 GLN A 70 19.982 -49.237 8.246 1.00 0.00 H new ATOM 0 HE21 GLN A 70 18.712 -50.130 9.955 1.00 0.00 H new ATOM 0 HE22 GLN A 70 17.612 -51.478 9.649 1.00 0.00 H new ATOM 1082 N LEU A 71 15.530 -47.379 8.374 1.00 0.00 N ATOM 1083 CA LEU A 71 14.398 -47.576 9.268 1.00 0.00 C ATOM 1084 C LEU A 71 13.069 -47.584 8.513 1.00 0.00 C ATOM 1085 O LEU A 71 12.093 -48.174 8.974 1.00 0.00 O ATOM 1086 CB LEU A 71 14.390 -46.488 10.341 1.00 0.00 C ATOM 1087 CG LEU A 71 15.157 -46.813 11.634 1.00 0.00 C ATOM 1088 CD1 LEU A 71 14.588 -48.060 12.293 1.00 0.00 C ATOM 1089 CD2 LEU A 71 16.644 -46.987 11.359 1.00 0.00 C ATOM 0 H LEU A 71 15.998 -46.480 8.488 1.00 0.00 H new ATOM 0 HA LEU A 71 14.511 -48.553 9.739 1.00 0.00 H new ATOM 0 HB2 LEU A 71 14.810 -45.578 9.912 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.354 -46.269 10.601 1.00 0.00 H new ATOM 0 HG LEU A 71 15.036 -45.973 12.318 1.00 0.00 H new ATOM 0 HD11 LEU A 71 15.143 -48.274 13.206 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.538 -47.896 12.536 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.674 -48.904 11.609 1.00 0.00 H new ATOM 0 HD21 LEU A 71 17.162 -47.216 12.290 1.00 0.00 H new ATOM 0 HD22 LEU A 71 16.790 -47.804 10.652 1.00 0.00 H new ATOM 0 HD23 LEU A 71 17.046 -46.066 10.937 1.00 0.00 H new ATOM 1101 N LYS A 72 13.042 -46.917 7.363 1.00 0.00 N ATOM 1102 CA LYS A 72 11.837 -46.844 6.533 1.00 0.00 C ATOM 1103 C LYS A 72 11.427 -48.224 6.000 1.00 0.00 C ATOM 1104 O LYS A 72 10.295 -48.415 5.545 1.00 0.00 O ATOM 1105 CB LYS A 72 12.063 -45.867 5.368 1.00 0.00 C ATOM 1106 CG LYS A 72 10.818 -45.599 4.535 1.00 0.00 C ATOM 1107 CD LYS A 72 9.721 -44.939 5.357 1.00 0.00 C ATOM 1108 CE LYS A 72 8.434 -44.802 4.562 1.00 0.00 C ATOM 1109 NZ LYS A 72 7.871 -46.125 4.182 1.00 0.00 N ATOM 0 H LYS A 72 13.844 -46.416 6.980 1.00 0.00 H new ATOM 0 HA LYS A 72 11.022 -46.480 7.158 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.432 -44.922 5.766 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.843 -46.265 4.719 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.076 -44.959 3.691 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.448 -46.537 4.122 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.534 -45.528 6.255 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.054 -43.954 5.685 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.701 -44.252 5.151 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.624 -44.217 3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.875 -46.012 3.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.411 -46.516 3.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.933 -46.774 4.992 1.00 0.00 H new ATOM 1123 N LYS A 73 12.340 -49.187 6.058 1.00 0.00 N ATOM 1124 CA LYS A 73 12.049 -50.544 5.602 1.00 0.00 C ATOM 1125 C LYS A 73 11.168 -51.285 6.609 1.00 0.00 C ATOM 1126 O LYS A 73 10.869 -50.764 7.686 1.00 0.00 O ATOM 1127 CB LYS A 73 13.352 -51.308 5.363 1.00 0.00 C ATOM 1128 CG LYS A 73 13.828 -51.244 3.920 1.00 0.00 C ATOM 1129 CD LYS A 73 15.262 -51.724 3.771 1.00 0.00 C ATOM 1130 CE LYS A 73 16.251 -50.612 4.081 1.00 0.00 C ATOM 1131 NZ LYS A 73 16.131 -49.484 3.114 1.00 0.00 N ATOM 0 H LYS A 73 13.286 -49.055 6.415 1.00 0.00 H new ATOM 0 HA LYS A 73 11.501 -50.480 4.662 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.128 -50.903 6.013 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.211 -52.351 5.646 1.00 0.00 H new ATOM 0 HG2 LYS A 73 13.175 -51.854 3.296 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.749 -50.219 3.558 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.437 -52.567 4.440 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.423 -52.085 2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.080 -50.244 5.093 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.266 -51.009 4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.054 -49.309 2.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.433 -49.727 2.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 15.822 -48.628 3.616 1.00 0.00 H new ATOM 1145 N GLU A 74 10.757 -52.502 6.258 1.00 0.00 N ATOM 1146 CA GLU A 74 9.864 -53.282 7.109 1.00 0.00 C ATOM 1147 C GLU A 74 10.531 -53.623 8.435 1.00 0.00 C ATOM 1148 O GLU A 74 11.601 -54.235 8.468 1.00 0.00 O ATOM 1149 CB GLU A 74 9.418 -54.568 6.405 1.00 0.00 C ATOM 1150 CG GLU A 74 8.522 -54.339 5.197 1.00 0.00 C ATOM 1151 CD GLU A 74 7.947 -55.633 4.652 1.00 0.00 C ATOM 1152 OE1 GLU A 74 7.055 -56.212 5.308 1.00 0.00 O ATOM 1153 OE2 GLU A 74 8.388 -56.081 3.575 1.00 0.00 O ATOM 0 H GLU A 74 11.028 -52.968 5.392 1.00 0.00 H new ATOM 0 HA GLU A 74 8.985 -52.669 7.308 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.302 -55.121 6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.889 -55.197 7.122 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.707 -53.670 5.474 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.092 -53.839 4.414 1.00 0.00 H new ATOM 1160 N ASN A 75 9.893 -53.220 9.525 1.00 0.00 N ATOM 1161 CA ASN A 75 10.440 -53.442 10.853 1.00 0.00 C ATOM 1162 C ASN A 75 9.498 -54.289 11.706 1.00 0.00 C ATOM 1163 O ASN A 75 8.493 -54.811 11.213 1.00 0.00 O ATOM 1164 CB ASN A 75 10.727 -52.107 11.545 1.00 0.00 C ATOM 1165 CG ASN A 75 9.492 -51.240 11.679 1.00 0.00 C ATOM 1166 OD1 ASN A 75 8.732 -51.371 12.636 1.00 0.00 O ATOM 1167 ND2 ASN A 75 9.290 -50.341 10.728 1.00 0.00 N ATOM 0 H ASN A 75 8.995 -52.737 9.514 1.00 0.00 H new ATOM 0 HA ASN A 75 11.376 -53.988 10.741 1.00 0.00 H new ATOM 0 HB2 ASN A 75 11.141 -52.297 12.535 1.00 0.00 H new ATOM 0 HB3 ASN A 75 11.486 -51.566 10.980 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.479 -49.724 10.773 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.946 -50.265 9.950 1.00 0.00 H new ATOM 1174 N ALA A 76 9.825 -54.396 12.990 1.00 0.00 N ATOM 1175 CA ALA A 76 9.123 -55.282 13.918 1.00 0.00 C ATOM 1176 C ALA A 76 7.626 -54.985 14.037 1.00 0.00 C ATOM 1177 O ALA A 76 6.846 -55.883 14.345 1.00 0.00 O ATOM 1178 CB ALA A 76 9.776 -55.209 15.290 1.00 0.00 C ATOM 0 H ALA A 76 10.586 -53.870 13.419 1.00 0.00 H new ATOM 0 HA ALA A 76 9.205 -56.289 13.508 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.250 -55.870 15.979 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.818 -55.519 15.214 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.728 -54.186 15.662 1.00 0.00 H new ATOM 1184 N LEU A 77 7.228 -53.743 13.788 1.00 0.00 N ATOM 1185 CA LEU A 77 5.837 -53.332 13.950 1.00 0.00 C ATOM 1186 C LEU A 77 4.886 -54.169 13.090 1.00 0.00 C ATOM 1187 O LEU A 77 3.762 -54.464 13.499 1.00 0.00 O ATOM 1188 CB LEU A 77 5.681 -51.847 13.614 1.00 0.00 C ATOM 1189 CG LEU A 77 6.355 -50.879 14.592 1.00 0.00 C ATOM 1190 CD1 LEU A 77 6.185 -49.442 14.118 1.00 0.00 C ATOM 1191 CD2 LEU A 77 5.777 -51.047 15.989 1.00 0.00 C ATOM 0 H LEU A 77 7.851 -53.000 13.472 1.00 0.00 H new ATOM 0 HA LEU A 77 5.568 -53.498 14.993 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.087 -51.672 12.618 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.618 -51.611 13.570 1.00 0.00 H new ATOM 0 HG LEU A 77 7.420 -51.109 14.628 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.669 -48.767 14.823 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.640 -49.327 13.134 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.123 -49.202 14.057 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.267 -50.352 16.671 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.707 -50.841 15.967 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.943 -52.069 16.331 1.00 0.00 H new ATOM 1203 N GLN A 78 5.341 -54.557 11.904 1.00 0.00 N ATOM 1204 CA GLN A 78 4.523 -55.348 10.989 1.00 0.00 C ATOM 1205 C GLN A 78 4.558 -56.828 11.376 1.00 0.00 C ATOM 1206 O GLN A 78 3.606 -57.569 11.131 1.00 0.00 O ATOM 1207 CB GLN A 78 5.015 -55.159 9.547 1.00 0.00 C ATOM 1208 CG GLN A 78 4.233 -55.954 8.510 1.00 0.00 C ATOM 1209 CD GLN A 78 2.766 -55.569 8.441 1.00 0.00 C ATOM 1210 OE1 GLN A 78 2.391 -54.425 8.701 1.00 0.00 O ATOM 1211 NE2 GLN A 78 1.928 -56.525 8.075 1.00 0.00 N ATOM 0 H GLN A 78 6.273 -54.337 11.552 1.00 0.00 H new ATOM 0 HA GLN A 78 3.491 -55.003 11.057 1.00 0.00 H new ATOM 0 HB2 GLN A 78 4.961 -54.100 9.293 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.065 -55.447 9.493 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.687 -55.806 7.530 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.312 -57.016 8.741 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.280 -57.460 7.868 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.930 -56.327 7.999 1.00 0.00 H new ATOM 1220 N ARG A 79 5.648 -57.244 12.007 1.00 0.00 N ATOM 1221 CA ARG A 79 5.838 -58.651 12.356 1.00 0.00 C ATOM 1222 C ARG A 79 5.083 -59.008 13.631 1.00 0.00 C ATOM 1223 O ARG A 79 4.849 -60.183 13.914 1.00 0.00 O ATOM 1224 CB ARG A 79 7.328 -58.972 12.532 1.00 0.00 C ATOM 1225 CG ARG A 79 8.086 -59.204 11.229 1.00 0.00 C ATOM 1226 CD ARG A 79 8.111 -57.965 10.349 1.00 0.00 C ATOM 1227 NE ARG A 79 8.930 -58.156 9.152 1.00 0.00 N ATOM 1228 CZ ARG A 79 8.570 -57.771 7.929 1.00 0.00 C ATOM 1229 NH1 ARG A 79 7.386 -57.200 7.725 1.00 0.00 N ATOM 1230 NH2 ARG A 79 9.395 -57.961 6.909 1.00 0.00 N ATOM 0 H ARG A 79 6.414 -56.632 12.288 1.00 0.00 H new ATOM 0 HA ARG A 79 5.440 -59.248 11.536 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.802 -58.152 13.071 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.423 -59.861 13.156 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.108 -59.507 11.455 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.623 -60.026 10.683 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.093 -57.710 10.054 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.498 -57.122 10.922 1.00 0.00 H new ATOM 0 HE ARG A 79 9.835 -58.614 9.261 1.00 0.00 H new ATOM 0 HH11 ARG A 79 6.748 -57.055 8.508 1.00 0.00 H new ATOM 0 HH12 ARG A 79 7.116 -56.907 6.786 1.00 0.00 H new ATOM 0 HH21 ARG A 79 10.302 -58.401 7.062 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.122 -57.667 5.971 1.00 0.00 H new ATOM 1244 N ALA A 80 4.687 -57.981 14.374 1.00 0.00 N ATOM 1245 CA ALA A 80 4.042 -58.151 15.673 1.00 0.00 C ATOM 1246 C ALA A 80 2.723 -58.914 15.571 1.00 0.00 C ATOM 1247 O ALA A 80 2.232 -59.449 16.562 1.00 0.00 O ATOM 1248 CB ALA A 80 3.824 -56.797 16.333 1.00 0.00 C ATOM 0 H ALA A 80 4.803 -57.007 14.094 1.00 0.00 H new ATOM 0 HA ALA A 80 4.711 -58.750 16.291 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.342 -56.937 17.301 1.00 0.00 H new ATOM 0 HB2 ALA A 80 4.785 -56.302 16.474 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.188 -56.181 15.697 1.00 0.00 H new ATOM 1254 N ARG A 81 2.145 -58.952 14.380 1.00 0.00 N ATOM 1255 CA ARG A 81 0.894 -59.675 14.168 1.00 0.00 C ATOM 1256 C ARG A 81 1.099 -61.185 14.256 1.00 0.00 C ATOM 1257 O ARG A 81 0.175 -61.935 14.578 1.00 0.00 O ATOM 1258 CB ARG A 81 0.287 -59.340 12.808 1.00 0.00 C ATOM 1259 CG ARG A 81 -0.390 -57.982 12.736 1.00 0.00 C ATOM 1260 CD ARG A 81 -1.173 -57.841 11.442 1.00 0.00 C ATOM 1261 NE ARG A 81 -2.118 -58.948 11.264 1.00 0.00 N ATOM 1262 CZ ARG A 81 -2.382 -59.527 10.093 1.00 0.00 C ATOM 1263 NH1 ARG A 81 -1.799 -59.088 8.986 1.00 0.00 N ATOM 1264 NH2 ARG A 81 -3.231 -60.552 10.039 1.00 0.00 N ATOM 0 H ARG A 81 2.517 -58.494 13.548 1.00 0.00 H new ATOM 0 HA ARG A 81 0.213 -59.360 14.958 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.073 -59.380 12.054 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.441 -60.109 12.550 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.059 -57.858 13.587 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.359 -57.193 12.802 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.715 -56.895 11.444 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.483 -57.811 10.599 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.605 -59.297 12.090 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.147 -58.305 9.029 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.003 -59.533 8.091 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.676 -60.891 10.892 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.436 -60.998 9.145 1.00 0.00 H new ATOM 1278 N THR A 82 2.312 -61.613 13.977 1.00 0.00 N ATOM 1279 CA THR A 82 2.639 -63.026 13.939 1.00 0.00 C ATOM 1280 C THR A 82 3.438 -63.423 15.175 1.00 0.00 C ATOM 1281 O THR A 82 2.883 -63.927 16.152 1.00 0.00 O ATOM 1282 CB THR A 82 3.420 -63.376 12.656 1.00 0.00 C ATOM 1283 OG1 THR A 82 2.747 -62.819 11.516 1.00 0.00 O ATOM 1284 CG2 THR A 82 3.544 -64.882 12.488 1.00 0.00 C ATOM 0 H THR A 82 3.097 -60.996 13.771 1.00 0.00 H new ATOM 0 HA THR A 82 1.706 -63.590 13.933 1.00 0.00 H new ATOM 0 HB THR A 82 4.422 -62.955 12.737 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.245 -63.041 10.702 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.099 -65.102 11.576 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.072 -65.301 13.344 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.550 -65.324 12.423 1.00 0.00 H new ATOM 1292 N ARG A 83 4.734 -63.183 15.124 1.00 0.00 N ATOM 1293 CA ARG A 83 5.619 -63.495 16.230 1.00 0.00 C ATOM 1294 C ARG A 83 6.066 -62.200 16.892 1.00 0.00 C ATOM 1295 O ARG A 83 6.319 -61.210 16.212 1.00 0.00 O ATOM 1296 CB ARG A 83 6.824 -64.295 15.738 1.00 0.00 C ATOM 1297 CG ARG A 83 7.698 -64.832 16.856 1.00 0.00 C ATOM 1298 CD ARG A 83 8.794 -65.732 16.318 1.00 0.00 C ATOM 1299 NE ARG A 83 9.564 -66.354 17.392 1.00 0.00 N ATOM 1300 CZ ARG A 83 10.102 -67.567 17.311 1.00 0.00 C ATOM 1301 NH1 ARG A 83 9.907 -68.311 16.228 1.00 0.00 N ATOM 1302 NH2 ARG A 83 10.807 -68.053 18.326 1.00 0.00 N ATOM 0 H ARG A 83 5.202 -62.768 14.318 1.00 0.00 H new ATOM 0 HA ARG A 83 5.088 -64.105 16.960 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.472 -65.129 15.132 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.429 -63.662 15.089 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.143 -64.001 17.403 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.084 -65.388 17.565 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.352 -66.507 15.692 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.462 -65.151 15.682 1.00 0.00 H new ATOM 0 HE ARG A 83 9.697 -65.827 18.255 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.344 -67.952 15.457 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.320 -69.241 16.167 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.937 -67.495 19.170 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.219 -68.984 18.261 1.00 0.00 H new ATOM 1316 N HIS A 84 6.144 -62.205 18.215 1.00 0.00 N ATOM 1317 CA HIS A 84 6.404 -60.980 18.967 1.00 0.00 C ATOM 1318 C HIS A 84 7.893 -60.785 19.250 1.00 0.00 C ATOM 1319 O HIS A 84 8.478 -61.494 20.075 1.00 0.00 O ATOM 1320 CB HIS A 84 5.622 -60.987 20.288 1.00 0.00 C ATOM 1321 CG HIS A 84 4.130 -60.959 20.113 1.00 0.00 C ATOM 1322 ND1 HIS A 84 3.253 -60.820 21.166 1.00 0.00 N ATOM 1323 CD2 HIS A 84 3.364 -61.052 19.000 1.00 0.00 C ATOM 1324 CE1 HIS A 84 2.014 -60.833 20.708 1.00 0.00 C ATOM 1325 NE2 HIS A 84 2.055 -60.973 19.396 1.00 0.00 N ATOM 0 H HIS A 84 6.032 -63.039 18.791 1.00 0.00 H new ATOM 0 HA HIS A 84 6.070 -60.147 18.349 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.895 -61.877 20.855 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.924 -60.125 20.882 1.00 0.00 H new ATOM 0 HD2 HIS A 84 3.720 -61.167 17.987 1.00 0.00 H new ATOM 0 HE1 HIS A 84 1.119 -60.744 21.306 1.00 0.00 H new ATOM 0 HE2 HIS A 84 1.245 -61.015 18.778 1.00 0.00 H new ATOM 1334 N PRO A 85 8.525 -59.826 18.554 1.00 0.00 N ATOM 1335 CA PRO A 85 9.904 -59.444 18.782 1.00 0.00 C ATOM 1336 C PRO A 85 10.005 -58.196 19.660 1.00 0.00 C ATOM 1337 O PRO A 85 8.999 -57.739 20.200 1.00 0.00 O ATOM 1338 CB PRO A 85 10.386 -59.143 17.360 1.00 0.00 C ATOM 1339 CG PRO A 85 9.165 -58.665 16.625 1.00 0.00 C ATOM 1340 CD PRO A 85 7.955 -59.033 17.460 1.00 0.00 C ATOM 0 HA PRO A 85 10.485 -60.206 19.302 1.00 0.00 H new ATOM 0 HB2 PRO A 85 11.168 -58.383 17.361 1.00 0.00 H new ATOM 0 HB3 PRO A 85 10.806 -60.032 16.890 1.00 0.00 H new ATOM 0 HG2 PRO A 85 9.209 -57.587 16.469 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.105 -59.127 15.640 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.439 -58.148 17.832 1.00 0.00 H new ATOM 0 HD3 PRO A 85 7.229 -59.607 16.884 1.00 0.00 H new ATOM 1348 N ALA A 86 11.219 -57.656 19.780 1.00 0.00 N ATOM 1349 CA ALA A 86 11.476 -56.453 20.574 1.00 0.00 C ATOM 1350 C ALA A 86 10.850 -56.558 21.961 1.00 0.00 C ATOM 1351 O ALA A 86 9.905 -55.841 22.285 1.00 0.00 O ATOM 1352 CB ALA A 86 10.974 -55.213 19.851 1.00 0.00 C ATOM 0 H ALA A 86 12.050 -58.039 19.330 1.00 0.00 H new ATOM 0 HA ALA A 86 12.555 -56.365 20.702 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.175 -54.331 20.459 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.486 -55.118 18.893 1.00 0.00 H new ATOM 0 HB3 ALA A 86 9.901 -55.300 19.682 1.00 0.00 H new ATOM 1358 N GLU A 87 11.396 -57.457 22.771 1.00 0.00 N ATOM 1359 CA GLU A 87 10.845 -57.774 24.089 1.00 0.00 C ATOM 1360 C GLU A 87 10.730 -56.527 24.983 1.00 0.00 C ATOM 1361 O GLU A 87 9.885 -56.468 25.878 1.00 0.00 O ATOM 1362 CB GLU A 87 11.726 -58.836 24.757 1.00 0.00 C ATOM 1363 CG GLU A 87 11.174 -59.383 26.066 1.00 0.00 C ATOM 1364 CD GLU A 87 11.948 -60.591 26.559 1.00 0.00 C ATOM 1365 OE1 GLU A 87 13.059 -60.414 27.101 1.00 0.00 O ATOM 1366 OE2 GLU A 87 11.447 -61.727 26.403 1.00 0.00 O ATOM 0 H GLU A 87 12.234 -57.989 22.535 1.00 0.00 H new ATOM 0 HA GLU A 87 9.834 -58.160 23.955 1.00 0.00 H new ATOM 0 HB2 GLU A 87 11.865 -59.664 24.062 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.711 -58.408 24.944 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.204 -58.601 26.825 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.127 -59.656 25.930 1.00 0.00 H new ATOM 1373 N SER A 88 11.575 -55.535 24.731 1.00 0.00 N ATOM 1374 CA SER A 88 11.557 -54.296 25.503 1.00 0.00 C ATOM 1375 C SER A 88 10.553 -53.297 24.921 1.00 0.00 C ATOM 1376 O SER A 88 9.707 -52.762 25.637 1.00 0.00 O ATOM 1377 CB SER A 88 12.961 -53.686 25.521 1.00 0.00 C ATOM 1378 OG SER A 88 13.924 -54.660 25.884 1.00 0.00 O ATOM 0 H SER A 88 12.283 -55.563 23.997 1.00 0.00 H new ATOM 0 HA SER A 88 11.246 -54.526 26.522 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.199 -53.280 24.538 1.00 0.00 H new ATOM 0 HB3 SER A 88 12.993 -52.855 26.226 1.00 0.00 H new ATOM 0 HG SER A 88 14.815 -54.253 25.889 1.00 0.00 H new ATOM 1384 N CYS A 89 10.641 -53.072 23.615 1.00 0.00 N ATOM 1385 CA CYS A 89 9.817 -52.071 22.943 1.00 0.00 C ATOM 1386 C CYS A 89 8.344 -52.471 22.946 1.00 0.00 C ATOM 1387 O CYS A 89 7.459 -51.617 23.016 1.00 0.00 O ATOM 1388 CB CYS A 89 10.311 -51.873 21.508 1.00 0.00 C ATOM 1389 SG CYS A 89 9.533 -50.495 20.625 1.00 0.00 S ATOM 0 H CYS A 89 11.279 -53.572 22.996 1.00 0.00 H new ATOM 0 HA CYS A 89 9.907 -51.132 23.489 1.00 0.00 H new ATOM 0 HB2 CYS A 89 11.389 -51.712 21.528 1.00 0.00 H new ATOM 0 HB3 CYS A 89 10.136 -52.791 20.948 1.00 0.00 H new ATOM 0 HG CYS A 89 10.024 -50.416 19.424 1.00 0.00 H new ATOM 1395 N LEU A 90 8.095 -53.772 22.890 1.00 0.00 N ATOM 1396 CA LEU A 90 6.734 -54.302 22.850 1.00 0.00 C ATOM 1397 C LEU A 90 5.978 -53.986 24.139 1.00 0.00 C ATOM 1398 O LEU A 90 4.784 -53.689 24.108 1.00 0.00 O ATOM 1399 CB LEU A 90 6.766 -55.815 22.620 1.00 0.00 C ATOM 1400 CG LEU A 90 5.400 -56.495 22.560 1.00 0.00 C ATOM 1401 CD1 LEU A 90 4.605 -56.011 21.357 1.00 0.00 C ATOM 1402 CD2 LEU A 90 5.564 -58.003 22.520 1.00 0.00 C ATOM 0 H LEU A 90 8.822 -54.487 22.871 1.00 0.00 H new ATOM 0 HA LEU A 90 6.210 -53.822 22.024 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.293 -56.013 21.687 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.348 -56.275 23.419 1.00 0.00 H new ATOM 0 HG LEU A 90 4.845 -56.229 23.460 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.636 -56.510 21.337 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.457 -54.933 21.428 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.152 -56.242 20.443 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.582 -58.475 22.477 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.140 -58.283 21.638 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.088 -58.336 23.416 1.00 0.00 H new ATOM 1414 N GLU A 91 6.685 -54.032 25.259 1.00 0.00 N ATOM 1415 CA GLU A 91 6.078 -53.798 26.563 1.00 0.00 C ATOM 1416 C GLU A 91 5.592 -52.352 26.675 1.00 0.00 C ATOM 1417 O GLU A 91 4.510 -52.089 27.205 1.00 0.00 O ATOM 1418 CB GLU A 91 7.090 -54.093 27.670 1.00 0.00 C ATOM 1419 CG GLU A 91 6.454 -54.312 29.032 1.00 0.00 C ATOM 1420 CD GLU A 91 5.779 -55.665 29.148 1.00 0.00 C ATOM 1421 OE1 GLU A 91 4.634 -55.816 28.677 1.00 0.00 O ATOM 1422 OE2 GLU A 91 6.397 -56.591 29.714 1.00 0.00 O ATOM 0 H GLU A 91 7.685 -54.230 25.291 1.00 0.00 H new ATOM 0 HA GLU A 91 5.222 -54.464 26.673 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.664 -54.979 27.399 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.795 -53.265 27.736 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.218 -54.224 29.804 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.721 -53.527 29.217 1.00 0.00 H new ATOM 1429 N HIS A 92 6.404 -51.428 26.158 1.00 0.00 N ATOM 1430 CA HIS A 92 6.097 -49.991 26.179 1.00 0.00 C ATOM 1431 C HIS A 92 6.099 -49.433 27.602 1.00 0.00 C ATOM 1432 O HIS A 92 6.174 -50.177 28.580 1.00 0.00 O ATOM 1433 CB HIS A 92 4.748 -49.696 25.507 1.00 0.00 C ATOM 1434 CG HIS A 92 4.760 -49.873 24.023 1.00 0.00 C ATOM 1435 ND1 HIS A 92 4.310 -51.012 23.399 1.00 0.00 N ATOM 1436 CD2 HIS A 92 5.170 -49.043 23.038 1.00 0.00 C ATOM 1437 CE1 HIS A 92 4.438 -50.876 22.095 1.00 0.00 C ATOM 1438 NE2 HIS A 92 4.960 -49.688 21.845 1.00 0.00 N ATOM 0 H HIS A 92 7.294 -51.652 25.712 1.00 0.00 H new ATOM 0 HA HIS A 92 6.886 -49.495 25.614 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.989 -50.351 25.935 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.454 -48.672 25.739 1.00 0.00 H new ATOM 0 HD1 HIS A 92 3.935 -51.834 23.872 1.00 0.00 H new ATOM 0 HD2 HIS A 92 5.586 -48.055 23.166 1.00 0.00 H new ATOM 0 HE1 HIS A 92 4.162 -51.612 21.354 1.00 0.00 H new ATOM 1447 N HIS A 93 6.045 -48.113 27.712 1.00 0.00 N ATOM 1448 CA HIS A 93 6.008 -47.452 29.012 1.00 0.00 C ATOM 1449 C HIS A 93 4.717 -46.658 29.166 1.00 0.00 C ATOM 1450 O HIS A 93 4.493 -45.683 28.450 1.00 0.00 O ATOM 1451 CB HIS A 93 7.200 -46.500 29.184 1.00 0.00 C ATOM 1452 CG HIS A 93 8.549 -47.160 29.168 1.00 0.00 C ATOM 1453 ND1 HIS A 93 9.725 -46.448 29.098 1.00 0.00 N ATOM 1454 CD2 HIS A 93 8.905 -48.466 29.209 1.00 0.00 C ATOM 1455 CE1 HIS A 93 10.746 -47.283 29.094 1.00 0.00 C ATOM 1456 NE2 HIS A 93 10.277 -48.515 29.160 1.00 0.00 N ATOM 0 H HIS A 93 6.026 -47.476 26.915 1.00 0.00 H new ATOM 0 HA HIS A 93 6.059 -48.228 29.776 1.00 0.00 H new ATOM 0 HB2 HIS A 93 7.168 -45.755 28.389 1.00 0.00 H new ATOM 0 HB3 HIS A 93 7.085 -45.965 30.127 1.00 0.00 H new ATOM 0 HD2 HIS A 93 8.235 -49.311 29.269 1.00 0.00 H new ATOM 0 HE1 HIS A 93 11.789 -47.006 29.045 1.00 0.00 H new ATOM 0 HE2 HIS A 93 10.841 -49.365 29.173 1.00 0.00 H new ATOM 1465 N HIS A 94 3.866 -47.080 30.086 1.00 0.00 N ATOM 1466 CA HIS A 94 2.659 -46.329 30.399 1.00 0.00 C ATOM 1467 C HIS A 94 2.953 -45.340 31.517 1.00 0.00 C ATOM 1468 O HIS A 94 4.004 -45.426 32.151 1.00 0.00 O ATOM 1469 CB HIS A 94 1.513 -47.265 30.799 1.00 0.00 C ATOM 1470 CG HIS A 94 0.995 -48.106 29.673 1.00 0.00 C ATOM 1471 ND1 HIS A 94 0.618 -49.424 29.828 1.00 0.00 N ATOM 1472 CD2 HIS A 94 0.769 -47.809 28.368 1.00 0.00 C ATOM 1473 CE1 HIS A 94 0.189 -49.897 28.675 1.00 0.00 C ATOM 1474 NE2 HIS A 94 0.268 -48.938 27.774 1.00 0.00 N ATOM 0 H HIS A 94 3.987 -47.935 30.628 1.00 0.00 H new ATOM 0 HA HIS A 94 2.345 -45.785 29.508 1.00 0.00 H new ATOM 0 HB2 HIS A 94 1.855 -47.919 31.601 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.694 -46.669 31.201 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.950 -46.859 27.887 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -0.167 -50.901 28.498 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -0.000 -49.022 26.794 1.00 0.00 H new ATOM 1483 N HIS A 95 2.020 -44.415 31.753 1.00 0.00 N ATOM 1484 CA HIS A 95 2.196 -43.343 32.743 1.00 0.00 C ATOM 1485 C HIS A 95 3.164 -42.293 32.211 1.00 0.00 C ATOM 1486 O HIS A 95 4.374 -42.509 32.166 1.00 0.00 O ATOM 1487 CB HIS A 95 2.689 -43.870 34.104 1.00 0.00 C ATOM 1488 CG HIS A 95 1.684 -44.695 34.844 1.00 0.00 C ATOM 1489 ND1 HIS A 95 1.184 -44.341 36.079 1.00 0.00 N ATOM 1490 CD2 HIS A 95 1.096 -45.874 34.528 1.00 0.00 C ATOM 1491 CE1 HIS A 95 0.336 -45.265 36.490 1.00 0.00 C ATOM 1492 NE2 HIS A 95 0.264 -46.205 35.568 1.00 0.00 N ATOM 0 H HIS A 95 1.124 -44.385 31.267 1.00 0.00 H new ATOM 0 HA HIS A 95 1.216 -42.894 32.906 1.00 0.00 H new ATOM 0 HB2 HIS A 95 3.587 -44.467 33.946 1.00 0.00 H new ATOM 0 HB3 HIS A 95 2.976 -43.023 34.727 1.00 0.00 H new ATOM 0 HD2 HIS A 95 1.253 -46.447 33.626 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -0.207 -45.253 37.423 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -0.316 -47.042 35.619 1.00 0.00 H new ATOM 1501 N HIS A 96 2.623 -41.160 31.796 1.00 0.00 N ATOM 1502 CA HIS A 96 3.419 -40.105 31.195 1.00 0.00 C ATOM 1503 C HIS A 96 2.785 -38.754 31.500 1.00 0.00 C ATOM 1504 O HIS A 96 1.566 -38.653 31.621 1.00 0.00 O ATOM 1505 CB HIS A 96 3.504 -40.314 29.676 1.00 0.00 C ATOM 1506 CG HIS A 96 4.544 -39.474 28.997 1.00 0.00 C ATOM 1507 ND1 HIS A 96 4.259 -38.307 28.321 1.00 0.00 N ATOM 1508 CD2 HIS A 96 5.879 -39.655 28.881 1.00 0.00 C ATOM 1509 CE1 HIS A 96 5.373 -37.809 27.818 1.00 0.00 C ATOM 1510 NE2 HIS A 96 6.374 -38.605 28.144 1.00 0.00 N ATOM 0 H HIS A 96 1.628 -40.947 31.866 1.00 0.00 H new ATOM 0 HA HIS A 96 4.426 -40.132 31.610 1.00 0.00 H new ATOM 0 HB2 HIS A 96 3.715 -41.365 29.476 1.00 0.00 H new ATOM 0 HB3 HIS A 96 2.531 -40.095 29.235 1.00 0.00 H new ATOM 0 HD2 HIS A 96 6.451 -40.474 29.292 1.00 0.00 H new ATOM 0 HE1 HIS A 96 5.452 -36.902 27.237 1.00 0.00 H new ATOM 0 HE2 HIS A 96 7.352 -38.465 27.891 1.00 0.00 H new ATOM 1519 N HIS A 97 3.606 -37.728 31.640 1.00 0.00 N ATOM 1520 CA HIS A 97 3.100 -36.382 31.850 1.00 0.00 C ATOM 1521 C HIS A 97 2.970 -35.673 30.514 1.00 0.00 C ATOM 1522 O HIS A 97 1.850 -35.635 29.966 1.00 0.00 O ATOM 1523 CB HIS A 97 4.019 -35.581 32.774 1.00 0.00 C ATOM 1524 CG HIS A 97 4.044 -36.065 34.191 1.00 0.00 C ATOM 1525 ND1 HIS A 97 2.925 -36.123 34.988 1.00 0.00 N ATOM 1526 CD2 HIS A 97 5.072 -36.496 34.960 1.00 0.00 C ATOM 1527 CE1 HIS A 97 3.262 -36.566 36.183 1.00 0.00 C ATOM 1528 NE2 HIS A 97 4.561 -36.801 36.198 1.00 0.00 N ATOM 1529 OXT HIS A 97 3.998 -35.192 29.999 1.00 0.00 O ATOM 0 H HIS A 97 4.623 -37.800 31.612 1.00 0.00 H new ATOM 0 HA HIS A 97 2.122 -36.455 32.326 1.00 0.00 H new ATOM 0 HB2 HIS A 97 5.033 -35.612 32.374 1.00 0.00 H new ATOM 0 HB3 HIS A 97 3.704 -34.538 32.765 1.00 0.00 H new ATOM 0 HD2 HIS A 97 6.104 -36.584 34.656 1.00 0.00 H new ATOM 0 HE1 HIS A 97 2.587 -36.713 37.013 1.00 0.00 H new ATOM 0 HE2 HIS A 97 5.095 -37.150 36.994 1.00 0.00 H new TER 1538 HIS A 97