USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 672 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 9 GLN : amide:sc= 1.87 K(o=3.1,f=-3.8) USER MOD Set 1.2: A 83 LYS NZ :NH3+ -164:sc= 1.24 (180deg=0) USER MOD Set 2.1: A 2 GLN : amide:sc= 1.72 K(o=3.2,f=-3.1) USER MOD Set 2.2: A 14 THR OG1 : rot -80:sc= -0.955 USER MOD Set 2.3: A 77 LYS NZ :NH3+ 164:sc= 1.21 (180deg=0) USER MOD Set 2.4: A 79 THR OG1 : rot 32:sc= 1.19 USER MOD Set 3.1: A 73 THR OG1 : rot 68:sc= 1.04 USER MOD Set 3.2: A 74 HIS : no HD1:sc= 0.591 K(o=1.6,f=-1.1) USER MOD Set 4.1: A 54 THR OG1 : rot 180:sc= 0.388 USER MOD Set 4.2: A 57 GLN : amide:sc= 0.194 K(o=0.58,f=-0.069) USER MOD Set 5.1: A 3 THR OG1 : rot -101:sc= 0.861 USER MOD Set 5.2: A 82 LYS NZ :NH3+ -167:sc= 0.989 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 1.06 K(o=1.1,f=-0.0048) USER MOD Single : A 8 ASN : amide:sc= -0.142 X(o=-0.14,f=0.1) USER MOD Single : A 15 ASN : amide:sc= 0.659 K(o=0.66,f=-0.41) USER MOD Single : A 20 THR OG1 : rot 103:sc= 1.13 USER MOD Single : A 21 ASN : amide:sc= 0.00504 K(o=0.005,f=-2.1!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 89:sc= 1.26 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.17) USER MOD Single : A 31 GLN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.0827 K(o=-0.083,f=-0.59) USER MOD Single : A 53 THR OG1 : rot 77:sc= 0.576 USER MOD Single : A 58 SER OG : rot 68:sc= 0.859 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 62 LYS NZ :NH3+ 155:sc= 1.69 (180deg=0.802) USER MOD Single : A 66 GLN : amide:sc= 0.78 K(o=0.78,f=-0.17) USER MOD Single : A 69 LYS NZ :NH3+ -150:sc= 1.26 (180deg=0.607) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 179:sc= -0.195 (180deg=-0.199) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 8.344 -7.466 -3.112 1.00 0.00 N ATOM 2 CA ALA A 1 7.911 -6.240 -3.820 1.00 0.00 C ATOM 3 C ALA A 1 8.543 -5.003 -3.171 1.00 0.00 C ATOM 4 O ALA A 1 9.595 -4.549 -3.625 1.00 0.00 O ATOM 5 CB ALA A 1 6.377 -6.143 -3.938 1.00 0.00 C ATOM 0 H1 ALA A 1 7.910 -8.298 -3.561 1.00 0.00 H new ATOM 0 H2 ALA A 1 9.380 -7.548 -3.161 1.00 0.00 H new ATOM 0 H3 ALA A 1 8.047 -7.415 -2.116 1.00 0.00 H new ATOM 0 HA ALA A 1 8.273 -6.292 -4.847 1.00 0.00 H new ATOM 0 HB1 ALA A 1 6.110 -5.227 -4.465 1.00 0.00 H new ATOM 0 HB2 ALA A 1 6.000 -7.003 -4.491 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.935 -6.131 -2.941 1.00 0.00 H new ATOM 13 N GLN A 2 7.932 -4.453 -2.113 1.00 0.00 N ATOM 14 CA GLN A 2 8.427 -3.313 -1.341 1.00 0.00 C ATOM 15 C GLN A 2 8.066 -3.541 0.133 1.00 0.00 C ATOM 16 O GLN A 2 7.149 -4.309 0.437 1.00 0.00 O ATOM 17 CB GLN A 2 7.775 -2.006 -1.838 1.00 0.00 C ATOM 18 CG GLN A 2 8.273 -1.513 -3.205 1.00 0.00 C ATOM 19 CD GLN A 2 7.554 -0.233 -3.628 1.00 0.00 C ATOM 20 OE1 GLN A 2 6.495 -0.276 -4.253 1.00 0.00 O ATOM 21 NE2 GLN A 2 8.084 0.932 -3.288 1.00 0.00 N ATOM 0 H GLN A 2 7.043 -4.807 -1.760 1.00 0.00 H new ATOM 0 HA GLN A 2 9.507 -3.226 -1.461 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.696 -2.153 -1.892 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.953 -1.225 -1.099 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.347 -1.332 -3.160 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.112 -2.288 -3.954 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.962 0.961 -2.770 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.614 1.800 -3.544 1.00 0.00 H new ATOM 30 N THR A 3 8.750 -2.838 1.035 1.00 0.00 N ATOM 31 CA THR A 3 8.453 -2.764 2.466 1.00 0.00 C ATOM 32 C THR A 3 8.746 -1.328 2.931 1.00 0.00 C ATOM 33 O THR A 3 9.282 -0.523 2.164 1.00 0.00 O ATOM 34 CB THR A 3 9.256 -3.825 3.258 1.00 0.00 C ATOM 35 OG1 THR A 3 10.558 -4.027 2.734 1.00 0.00 O ATOM 36 CG2 THR A 3 8.563 -5.190 3.282 1.00 0.00 C ATOM 0 H THR A 3 9.563 -2.279 0.777 1.00 0.00 H new ATOM 0 HA THR A 3 7.404 -2.992 2.655 1.00 0.00 H new ATOM 0 HB THR A 3 9.318 -3.418 4.267 1.00 0.00 H new ATOM 0 HG1 THR A 3 10.570 -4.845 2.194 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.169 -5.896 3.850 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.584 -5.093 3.751 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.442 -5.555 2.262 1.00 0.00 H new ATOM 44 N GLU A 4 8.388 -0.995 4.173 1.00 0.00 N ATOM 45 CA GLU A 4 8.544 0.332 4.763 1.00 0.00 C ATOM 46 C GLU A 4 9.085 0.179 6.184 1.00 0.00 C ATOM 47 O GLU A 4 9.115 -0.923 6.741 1.00 0.00 O ATOM 48 CB GLU A 4 7.188 1.064 4.770 1.00 0.00 C ATOM 49 CG GLU A 4 6.843 1.712 3.423 1.00 0.00 C ATOM 50 CD GLU A 4 7.547 3.064 3.220 1.00 0.00 C ATOM 51 OE1 GLU A 4 8.797 3.152 3.249 1.00 0.00 O ATOM 52 OE2 GLU A 4 6.835 4.072 3.008 1.00 0.00 O ATOM 0 H GLU A 4 7.967 -1.666 4.816 1.00 0.00 H new ATOM 0 HA GLU A 4 9.246 0.924 4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.402 0.357 5.037 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.202 1.833 5.543 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.124 1.035 2.616 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.764 1.855 3.358 1.00 0.00 H new ATOM 59 N GLN A 5 9.530 1.294 6.761 1.00 0.00 N ATOM 60 CA GLN A 5 10.203 1.415 8.049 1.00 0.00 C ATOM 61 C GLN A 5 9.878 2.811 8.617 1.00 0.00 C ATOM 62 O GLN A 5 9.318 3.642 7.892 1.00 0.00 O ATOM 63 CB GLN A 5 11.727 1.300 7.814 1.00 0.00 C ATOM 64 CG GLN A 5 12.258 -0.076 7.404 1.00 0.00 C ATOM 65 CD GLN A 5 12.133 -1.113 8.524 1.00 0.00 C ATOM 66 OE1 GLN A 5 13.020 -1.258 9.360 1.00 0.00 O ATOM 67 NE2 GLN A 5 11.038 -1.852 8.570 1.00 0.00 N ATOM 0 H GLN A 5 9.421 2.200 6.306 1.00 0.00 H new ATOM 0 HA GLN A 5 9.878 0.638 8.741 1.00 0.00 H new ATOM 0 HB2 GLN A 5 12.007 2.017 7.042 1.00 0.00 H new ATOM 0 HB3 GLN A 5 12.236 1.602 8.729 1.00 0.00 H new ATOM 0 HG2 GLN A 5 11.712 -0.426 6.528 1.00 0.00 H new ATOM 0 HG3 GLN A 5 13.304 0.014 7.113 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.307 -1.724 7.871 1.00 0.00 H new ATOM 0 HE22 GLN A 5 10.924 -2.550 9.305 1.00 0.00 H new ATOM 76 N PRO A 6 10.287 3.138 9.857 1.00 0.00 N ATOM 77 CA PRO A 6 10.631 4.518 10.201 1.00 0.00 C ATOM 78 C PRO A 6 11.757 5.030 9.272 1.00 0.00 C ATOM 79 O PRO A 6 12.404 4.220 8.601 1.00 0.00 O ATOM 80 CB PRO A 6 11.053 4.473 11.675 1.00 0.00 C ATOM 81 CG PRO A 6 11.560 3.043 11.862 1.00 0.00 C ATOM 82 CD PRO A 6 10.657 2.230 10.936 1.00 0.00 C ATOM 0 HA PRO A 6 9.801 5.211 10.066 1.00 0.00 H new ATOM 0 HB2 PRO A 6 11.831 5.205 11.892 1.00 0.00 H new ATOM 0 HB3 PRO A 6 10.216 4.691 12.338 1.00 0.00 H new ATOM 0 HG2 PRO A 6 12.610 2.948 11.586 1.00 0.00 H new ATOM 0 HG3 PRO A 6 11.473 2.717 12.898 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.178 1.354 10.550 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.775 1.869 11.465 1.00 0.00 H new ATOM 90 N PRO A 7 12.021 6.351 9.211 1.00 0.00 N ATOM 91 CA PRO A 7 13.051 6.921 8.348 1.00 0.00 C ATOM 92 C PRO A 7 14.384 6.167 8.401 1.00 0.00 C ATOM 93 O PRO A 7 14.867 5.817 9.482 1.00 0.00 O ATOM 94 CB PRO A 7 13.181 8.387 8.762 1.00 0.00 C ATOM 95 CG PRO A 7 11.773 8.719 9.253 1.00 0.00 C ATOM 96 CD PRO A 7 11.310 7.414 9.906 1.00 0.00 C ATOM 0 HA PRO A 7 12.760 6.832 7.301 1.00 0.00 H new ATOM 0 HB2 PRO A 7 13.926 8.523 9.546 1.00 0.00 H new ATOM 0 HB3 PRO A 7 13.479 9.020 7.926 1.00 0.00 H new ATOM 0 HG2 PRO A 7 11.780 9.545 9.965 1.00 0.00 H new ATOM 0 HG3 PRO A 7 11.119 9.012 8.431 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.539 7.407 10.972 1.00 0.00 H new ATOM 0 HD3 PRO A 7 10.231 7.290 9.811 1.00 0.00 H new ATOM 104 N ASN A 8 14.987 5.945 7.228 1.00 0.00 N ATOM 105 CA ASN A 8 16.224 5.188 7.066 1.00 0.00 C ATOM 106 C ASN A 8 17.122 5.929 6.076 1.00 0.00 C ATOM 107 O ASN A 8 16.631 6.478 5.093 1.00 0.00 O ATOM 108 CB ASN A 8 15.944 3.757 6.562 1.00 0.00 C ATOM 109 CG ASN A 8 17.244 2.967 6.467 1.00 0.00 C ATOM 110 OD1 ASN A 8 17.867 2.657 7.475 1.00 0.00 O ATOM 111 ND2 ASN A 8 17.725 2.686 5.268 1.00 0.00 N ATOM 0 H ASN A 8 14.616 6.297 6.346 1.00 0.00 H new ATOM 0 HA ASN A 8 16.719 5.103 8.033 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.253 3.254 7.239 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.462 3.796 5.585 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.621 2.208 5.177 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.200 2.948 4.434 1.00 0.00 H new ATOM 118 N GLN A 9 18.428 5.907 6.346 1.00 0.00 N ATOM 119 CA GLN A 9 19.519 6.574 5.629 1.00 0.00 C ATOM 120 C GLN A 9 19.608 6.243 4.123 1.00 0.00 C ATOM 121 O GLN A 9 20.243 6.948 3.332 1.00 0.00 O ATOM 122 CB GLN A 9 20.796 6.115 6.353 1.00 0.00 C ATOM 123 CG GLN A 9 22.040 6.845 5.871 1.00 0.00 C ATOM 124 CD GLN A 9 23.299 6.427 6.623 1.00 0.00 C ATOM 125 OE1 GLN A 9 23.542 5.248 6.872 1.00 0.00 O ATOM 126 NE2 GLN A 9 24.130 7.376 7.009 1.00 0.00 N ATOM 0 H GLN A 9 18.782 5.376 7.142 1.00 0.00 H new ATOM 0 HA GLN A 9 19.359 7.652 5.646 1.00 0.00 H new ATOM 0 HB2 GLN A 9 20.678 6.275 7.425 1.00 0.00 H new ATOM 0 HB3 GLN A 9 20.928 5.043 6.203 1.00 0.00 H new ATOM 0 HG2 GLN A 9 22.178 6.655 4.807 1.00 0.00 H new ATOM 0 HG3 GLN A 9 21.893 7.919 5.986 1.00 0.00 H new ATOM 0 HE21 GLN A 9 23.922 8.352 6.799 1.00 0.00 H new ATOM 0 HE22 GLN A 9 24.980 7.133 7.517 1.00 0.00 H new ATOM 135 N ILE A 10 19.037 5.108 3.741 1.00 0.00 N ATOM 136 CA ILE A 10 19.103 4.528 2.410 1.00 0.00 C ATOM 137 C ILE A 10 17.658 4.217 2.010 1.00 0.00 C ATOM 138 O ILE A 10 16.826 3.846 2.848 1.00 0.00 O ATOM 139 CB ILE A 10 20.071 3.312 2.435 1.00 0.00 C ATOM 140 CG1 ILE A 10 21.517 3.771 2.743 1.00 0.00 C ATOM 141 CG2 ILE A 10 20.048 2.504 1.121 1.00 0.00 C ATOM 142 CD1 ILE A 10 22.538 2.636 2.886 1.00 0.00 C ATOM 0 H ILE A 10 18.488 4.540 4.386 1.00 0.00 H new ATOM 0 HA ILE A 10 19.518 5.191 1.651 1.00 0.00 H new ATOM 0 HB ILE A 10 19.719 2.653 3.229 1.00 0.00 H new ATOM 0 HG12 ILE A 10 21.848 4.439 1.948 1.00 0.00 H new ATOM 0 HG13 ILE A 10 21.510 4.352 3.665 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.743 1.668 1.196 1.00 0.00 H new ATOM 0 HG22 ILE A 10 19.041 2.125 0.945 1.00 0.00 H new ATOM 0 HG23 ILE A 10 20.343 3.148 0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 10 23.521 3.056 3.101 1.00 0.00 H new ATOM 0 HD12 ILE A 10 22.238 1.978 3.701 1.00 0.00 H new ATOM 0 HD13 ILE A 10 22.582 2.067 1.957 1.00 0.00 H new ATOM 154 N LEU A 11 17.360 4.367 0.723 1.00 0.00 N ATOM 155 CA LEU A 11 16.030 4.280 0.139 1.00 0.00 C ATOM 156 C LEU A 11 16.066 3.191 -0.927 1.00 0.00 C ATOM 157 O LEU A 11 17.098 3.005 -1.575 1.00 0.00 O ATOM 158 CB LEU A 11 15.654 5.629 -0.508 1.00 0.00 C ATOM 159 CG LEU A 11 15.671 6.855 0.428 1.00 0.00 C ATOM 160 CD1 LEU A 11 15.427 8.141 -0.371 1.00 0.00 C ATOM 161 CD2 LEU A 11 14.624 6.722 1.536 1.00 0.00 C ATOM 0 H LEU A 11 18.078 4.562 0.025 1.00 0.00 H new ATOM 0 HA LEU A 11 15.290 4.046 0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.340 5.817 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.656 5.538 -0.937 1.00 0.00 H new ATOM 0 HG LEU A 11 16.655 6.905 0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 11 15.442 8.997 0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.209 8.257 -1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 11 14.456 8.085 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.661 7.601 2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.632 6.639 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.832 5.831 2.128 1.00 0.00 H new ATOM 173 N PHE A 12 14.939 2.515 -1.138 1.00 0.00 N ATOM 174 CA PHE A 12 14.720 1.571 -2.225 1.00 0.00 C ATOM 175 C PHE A 12 13.623 2.160 -3.096 1.00 0.00 C ATOM 176 O PHE A 12 12.639 2.690 -2.573 1.00 0.00 O ATOM 177 CB PHE A 12 14.281 0.206 -1.685 1.00 0.00 C ATOM 178 CG PHE A 12 13.903 -0.780 -2.780 1.00 0.00 C ATOM 179 CD1 PHE A 12 14.878 -1.223 -3.694 1.00 0.00 C ATOM 180 CD2 PHE A 12 12.574 -1.227 -2.919 1.00 0.00 C ATOM 181 CE1 PHE A 12 14.544 -2.137 -4.709 1.00 0.00 C ATOM 182 CE2 PHE A 12 12.245 -2.159 -3.919 1.00 0.00 C ATOM 183 CZ PHE A 12 13.228 -2.616 -4.815 1.00 0.00 C ATOM 0 H PHE A 12 14.124 2.615 -0.532 1.00 0.00 H new ATOM 0 HA PHE A 12 15.640 1.416 -2.789 1.00 0.00 H new ATOM 0 HB2 PHE A 12 15.088 -0.217 -1.087 1.00 0.00 H new ATOM 0 HB3 PHE A 12 13.429 0.343 -1.019 1.00 0.00 H new ATOM 0 HD1 PHE A 12 15.891 -0.858 -3.615 1.00 0.00 H new ATOM 0 HD2 PHE A 12 11.807 -0.853 -2.257 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.298 -2.470 -5.406 1.00 0.00 H new ATOM 0 HE2 PHE A 12 11.232 -2.526 -3.999 1.00 0.00 H new ATOM 0 HZ PHE A 12 12.972 -3.332 -5.582 1.00 0.00 H new ATOM 193 N LEU A 13 13.795 2.094 -4.412 1.00 0.00 N ATOM 194 CA LEU A 13 12.960 2.782 -5.378 1.00 0.00 C ATOM 195 C LEU A 13 12.499 1.786 -6.430 1.00 0.00 C ATOM 196 O LEU A 13 13.226 0.850 -6.769 1.00 0.00 O ATOM 197 CB LEU A 13 13.730 3.912 -6.077 1.00 0.00 C ATOM 198 CG LEU A 13 13.855 5.226 -5.290 1.00 0.00 C ATOM 199 CD1 LEU A 13 14.772 5.133 -4.064 1.00 0.00 C ATOM 200 CD2 LEU A 13 14.395 6.301 -6.231 1.00 0.00 C ATOM 0 H LEU A 13 14.539 1.545 -4.843 1.00 0.00 H new ATOM 0 HA LEU A 13 12.110 3.214 -4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.733 3.553 -6.309 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.240 4.125 -7.027 1.00 0.00 H new ATOM 0 HG LEU A 13 12.861 5.468 -4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.808 6.100 -3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.385 4.382 -3.376 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.776 4.851 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.491 7.243 -5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 13 15.372 5.998 -6.608 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.708 6.431 -7.067 1.00 0.00 H new ATOM 212 N THR A 14 11.316 2.045 -6.981 1.00 0.00 N ATOM 213 CA THR A 14 10.646 1.210 -7.973 1.00 0.00 C ATOM 214 C THR A 14 9.919 2.088 -9.011 1.00 0.00 C ATOM 215 O THR A 14 9.877 3.318 -8.885 1.00 0.00 O ATOM 216 CB THR A 14 9.692 0.225 -7.257 1.00 0.00 C ATOM 217 OG1 THR A 14 8.832 0.896 -6.363 1.00 0.00 O ATOM 218 CG2 THR A 14 10.403 -0.849 -6.432 1.00 0.00 C ATOM 0 H THR A 14 10.777 2.876 -6.738 1.00 0.00 H new ATOM 0 HA THR A 14 11.381 0.620 -8.521 1.00 0.00 H new ATOM 0 HB THR A 14 9.149 -0.248 -8.075 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.310 1.084 -5.528 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.663 -1.497 -5.963 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.045 -1.442 -7.083 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.009 -0.374 -5.661 1.00 0.00 H new ATOM 226 N ASN A 15 9.328 1.446 -10.031 1.00 0.00 N ATOM 227 CA ASN A 15 8.602 2.054 -11.154 1.00 0.00 C ATOM 228 C ASN A 15 9.413 3.122 -11.906 1.00 0.00 C ATOM 229 O ASN A 15 8.863 4.081 -12.452 1.00 0.00 O ATOM 230 CB ASN A 15 7.219 2.549 -10.702 1.00 0.00 C ATOM 231 CG ASN A 15 6.302 2.846 -11.888 1.00 0.00 C ATOM 232 OD1 ASN A 15 6.112 2.009 -12.766 1.00 0.00 O ATOM 233 ND2 ASN A 15 5.684 4.015 -11.927 1.00 0.00 N ATOM 0 H ASN A 15 9.346 0.428 -10.096 1.00 0.00 H new ATOM 0 HA ASN A 15 8.444 1.270 -11.895 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.755 1.796 -10.064 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.335 3.450 -10.099 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.043 4.228 -12.691 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.849 4.704 -11.193 1.00 0.00 H new ATOM 240 N LEU A 16 10.737 2.974 -11.918 1.00 0.00 N ATOM 241 CA LEU A 16 11.638 3.840 -12.672 1.00 0.00 C ATOM 242 C LEU A 16 11.496 3.531 -14.173 1.00 0.00 C ATOM 243 O LEU A 16 11.123 2.404 -14.515 1.00 0.00 O ATOM 244 CB LEU A 16 13.094 3.601 -12.237 1.00 0.00 C ATOM 245 CG LEU A 16 13.352 3.613 -10.721 1.00 0.00 C ATOM 246 CD1 LEU A 16 14.809 3.255 -10.452 1.00 0.00 C ATOM 247 CD2 LEU A 16 13.043 4.974 -10.094 1.00 0.00 C ATOM 0 H LEU A 16 11.218 2.240 -11.398 1.00 0.00 H new ATOM 0 HA LEU A 16 11.378 4.881 -12.479 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.418 2.639 -12.634 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.721 4.364 -12.699 1.00 0.00 H new ATOM 0 HG LEU A 16 12.686 2.879 -10.267 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.993 3.263 -9.378 1.00 0.00 H new ATOM 0 HD12 LEU A 16 15.019 2.262 -10.849 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.458 3.984 -10.937 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.240 4.934 -9.023 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.674 5.737 -10.551 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.995 5.222 -10.261 1.00 0.00 H new ATOM 259 N PRO A 17 11.802 4.482 -15.075 1.00 0.00 N ATOM 260 CA PRO A 17 11.915 4.219 -16.506 1.00 0.00 C ATOM 261 C PRO A 17 12.827 3.017 -16.770 1.00 0.00 C ATOM 262 O PRO A 17 13.855 2.857 -16.109 1.00 0.00 O ATOM 263 CB PRO A 17 12.507 5.486 -17.128 1.00 0.00 C ATOM 264 CG PRO A 17 12.137 6.585 -16.143 1.00 0.00 C ATOM 265 CD PRO A 17 12.035 5.886 -14.790 1.00 0.00 C ATOM 0 HA PRO A 17 10.943 3.979 -16.938 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.587 5.405 -17.248 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.090 5.678 -18.116 1.00 0.00 H new ATOM 0 HG2 PRO A 17 12.893 7.370 -16.125 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.193 7.057 -16.415 1.00 0.00 H new ATOM 0 HD2 PRO A 17 12.950 6.019 -14.213 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.221 6.303 -14.197 1.00 0.00 H new ATOM 273 N GLU A 18 12.539 2.237 -17.811 1.00 0.00 N ATOM 274 CA GLU A 18 13.451 1.194 -18.287 1.00 0.00 C ATOM 275 C GLU A 18 14.767 1.771 -18.836 1.00 0.00 C ATOM 276 O GLU A 18 15.722 1.027 -19.063 1.00 0.00 O ATOM 277 CB GLU A 18 12.728 0.291 -19.300 1.00 0.00 C ATOM 278 CG GLU A 18 12.252 1.033 -20.560 1.00 0.00 C ATOM 279 CD GLU A 18 11.503 0.087 -21.517 1.00 0.00 C ATOM 280 OE1 GLU A 18 12.151 -0.604 -22.336 1.00 0.00 O ATOM 281 OE2 GLU A 18 10.252 0.036 -21.476 1.00 0.00 O ATOM 0 H GLU A 18 11.673 2.308 -18.346 1.00 0.00 H new ATOM 0 HA GLU A 18 13.743 0.578 -17.436 1.00 0.00 H new ATOM 0 HB2 GLU A 18 13.397 -0.517 -19.596 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.868 -0.170 -18.814 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.598 1.857 -20.274 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.109 1.469 -21.073 1.00 0.00 H new ATOM 288 N GLU A 19 14.836 3.095 -19.015 1.00 0.00 N ATOM 289 CA GLU A 19 15.979 3.812 -19.537 1.00 0.00 C ATOM 290 C GLU A 19 16.855 4.405 -18.416 1.00 0.00 C ATOM 291 O GLU A 19 17.834 5.096 -18.706 1.00 0.00 O ATOM 292 CB GLU A 19 15.482 4.929 -20.477 1.00 0.00 C ATOM 293 CG GLU A 19 14.694 4.435 -21.701 1.00 0.00 C ATOM 294 CD GLU A 19 15.586 3.673 -22.701 1.00 0.00 C ATOM 295 OE1 GLU A 19 16.285 4.322 -23.513 1.00 0.00 O ATOM 296 OE2 GLU A 19 15.583 2.422 -22.710 1.00 0.00 O ATOM 0 H GLU A 19 14.057 3.712 -18.787 1.00 0.00 H new ATOM 0 HA GLU A 19 16.604 3.108 -20.086 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.851 5.611 -19.907 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.341 5.503 -20.823 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.884 3.785 -21.371 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.235 5.287 -22.203 1.00 0.00 H new ATOM 303 N THR A 20 16.500 4.199 -17.142 1.00 0.00 N ATOM 304 CA THR A 20 17.153 4.859 -16.018 1.00 0.00 C ATOM 305 C THR A 20 18.599 4.381 -15.897 1.00 0.00 C ATOM 306 O THR A 20 18.912 3.206 -16.116 1.00 0.00 O ATOM 307 CB THR A 20 16.368 4.594 -14.724 1.00 0.00 C ATOM 308 OG1 THR A 20 15.017 4.914 -14.930 1.00 0.00 O ATOM 309 CG2 THR A 20 16.830 5.467 -13.555 1.00 0.00 C ATOM 0 H THR A 20 15.749 3.567 -16.867 1.00 0.00 H new ATOM 0 HA THR A 20 17.167 5.935 -16.191 1.00 0.00 H new ATOM 0 HB THR A 20 16.530 3.544 -14.481 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.500 4.090 -15.047 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.238 5.233 -12.670 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.883 5.272 -13.349 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.699 6.518 -13.812 1.00 0.00 H new ATOM 317 N ASN A 21 19.469 5.301 -15.489 1.00 0.00 N ATOM 318 CA ASN A 21 20.840 5.047 -15.095 1.00 0.00 C ATOM 319 C ASN A 21 21.098 5.910 -13.854 1.00 0.00 C ATOM 320 O ASN A 21 20.331 6.834 -13.571 1.00 0.00 O ATOM 321 CB ASN A 21 21.795 5.369 -16.260 1.00 0.00 C ATOM 322 CG ASN A 21 23.264 5.229 -15.878 1.00 0.00 C ATOM 323 OD1 ASN A 21 23.653 4.295 -15.184 1.00 0.00 O ATOM 324 ND2 ASN A 21 24.096 6.176 -16.273 1.00 0.00 N ATOM 0 H ASN A 21 19.220 6.288 -15.423 1.00 0.00 H new ATOM 0 HA ASN A 21 21.015 3.999 -14.853 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.577 4.704 -17.096 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.610 6.386 -16.605 1.00 0.00 H new ATOM 0 HD21 ASN A 21 25.078 6.138 -16.001 1.00 0.00 H new ATOM 0 HD22 ASN A 21 23.756 6.946 -16.850 1.00 0.00 H new ATOM 331 N GLU A 22 22.167 5.631 -13.109 1.00 0.00 N ATOM 332 CA GLU A 22 22.493 6.289 -11.838 1.00 0.00 C ATOM 333 C GLU A 22 22.577 7.801 -11.994 1.00 0.00 C ATOM 334 O GLU A 22 22.208 8.536 -11.081 1.00 0.00 O ATOM 335 CB GLU A 22 23.812 5.724 -11.274 1.00 0.00 C ATOM 336 CG GLU A 22 23.676 4.217 -11.025 1.00 0.00 C ATOM 337 CD GLU A 22 24.906 3.501 -10.444 1.00 0.00 C ATOM 338 OE1 GLU A 22 26.039 4.032 -10.484 1.00 0.00 O ATOM 339 OE2 GLU A 22 24.717 2.356 -9.974 1.00 0.00 O ATOM 0 H GLU A 22 22.850 4.923 -13.377 1.00 0.00 H new ATOM 0 HA GLU A 22 21.688 6.080 -11.133 1.00 0.00 H new ATOM 0 HB2 GLU A 22 24.626 5.913 -11.974 1.00 0.00 H new ATOM 0 HB3 GLU A 22 24.066 6.233 -10.344 1.00 0.00 H new ATOM 0 HG2 GLU A 22 22.838 4.058 -10.347 1.00 0.00 H new ATOM 0 HG3 GLU A 22 23.417 3.738 -11.969 1.00 0.00 H new ATOM 346 N MET A 23 23.007 8.264 -13.167 1.00 0.00 N ATOM 347 CA MET A 23 23.153 9.685 -13.471 1.00 0.00 C ATOM 348 C MET A 23 21.830 10.441 -13.322 1.00 0.00 C ATOM 349 O MET A 23 21.824 11.551 -12.790 1.00 0.00 O ATOM 350 CB MET A 23 23.720 9.871 -14.888 1.00 0.00 C ATOM 351 CG MET A 23 25.167 9.376 -14.999 1.00 0.00 C ATOM 352 SD MET A 23 25.862 9.511 -16.668 1.00 0.00 S ATOM 353 CE MET A 23 27.531 8.875 -16.351 1.00 0.00 C ATOM 0 H MET A 23 23.267 7.654 -13.942 1.00 0.00 H new ATOM 0 HA MET A 23 23.852 10.105 -12.748 1.00 0.00 H new ATOM 0 HB2 MET A 23 23.097 9.331 -15.601 1.00 0.00 H new ATOM 0 HB3 MET A 23 23.676 10.926 -15.160 1.00 0.00 H new ATOM 0 HG2 MET A 23 25.790 9.946 -14.309 1.00 0.00 H new ATOM 0 HG3 MET A 23 25.210 8.334 -14.681 1.00 0.00 H new ATOM 0 HE1 MET A 23 28.106 8.886 -17.277 1.00 0.00 H new ATOM 0 HE2 MET A 23 28.025 9.503 -15.610 1.00 0.00 H new ATOM 0 HE3 MET A 23 27.466 7.854 -15.976 1.00 0.00 H new ATOM 363 N MET A 24 20.715 9.841 -13.747 1.00 0.00 N ATOM 364 CA MET A 24 19.399 10.481 -13.727 1.00 0.00 C ATOM 365 C MET A 24 18.994 10.756 -12.284 1.00 0.00 C ATOM 366 O MET A 24 18.671 11.883 -11.904 1.00 0.00 O ATOM 367 CB MET A 24 18.334 9.588 -14.394 1.00 0.00 C ATOM 368 CG MET A 24 18.465 9.464 -15.914 1.00 0.00 C ATOM 369 SD MET A 24 19.897 8.542 -16.527 1.00 0.00 S ATOM 370 CE MET A 24 19.485 8.469 -18.291 1.00 0.00 C ATOM 0 H MET A 24 20.701 8.891 -14.117 1.00 0.00 H new ATOM 0 HA MET A 24 19.463 11.415 -14.286 1.00 0.00 H new ATOM 0 HB2 MET A 24 18.389 8.592 -13.956 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.347 9.986 -14.159 1.00 0.00 H new ATOM 0 HG2 MET A 24 17.563 8.987 -16.297 1.00 0.00 H new ATOM 0 HG3 MET A 24 18.499 10.468 -16.337 1.00 0.00 H new ATOM 0 HE1 MET A 24 20.268 7.930 -18.825 1.00 0.00 H new ATOM 0 HE2 MET A 24 18.534 7.952 -18.422 1.00 0.00 H new ATOM 0 HE3 MET A 24 19.405 9.481 -18.688 1.00 0.00 H new ATOM 380 N LEU A 25 19.038 9.712 -11.461 1.00 0.00 N ATOM 381 CA LEU A 25 18.616 9.833 -10.076 1.00 0.00 C ATOM 382 C LEU A 25 19.627 10.659 -9.290 1.00 0.00 C ATOM 383 O LEU A 25 19.224 11.371 -8.378 1.00 0.00 O ATOM 384 CB LEU A 25 18.450 8.457 -9.423 1.00 0.00 C ATOM 385 CG LEU A 25 17.372 7.557 -10.052 1.00 0.00 C ATOM 386 CD1 LEU A 25 17.184 6.327 -9.160 1.00 0.00 C ATOM 387 CD2 LEU A 25 16.039 8.291 -10.237 1.00 0.00 C ATOM 0 H LEU A 25 19.359 8.782 -11.729 1.00 0.00 H new ATOM 0 HA LEU A 25 17.649 10.336 -10.063 1.00 0.00 H new ATOM 0 HB2 LEU A 25 19.406 7.935 -9.466 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.211 8.600 -8.369 1.00 0.00 H new ATOM 0 HG LEU A 25 17.705 7.260 -11.046 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.422 5.678 -9.592 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.126 5.783 -9.087 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.870 6.643 -8.165 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.310 7.615 -10.684 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.673 8.630 -9.268 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.185 9.151 -10.891 1.00 0.00 H new ATOM 399 N SER A 26 20.915 10.610 -9.639 1.00 0.00 N ATOM 400 CA SER A 26 21.917 11.420 -8.962 1.00 0.00 C ATOM 401 C SER A 26 21.608 12.891 -9.202 1.00 0.00 C ATOM 402 O SER A 26 21.553 13.664 -8.251 1.00 0.00 O ATOM 403 CB SER A 26 23.332 11.066 -9.431 1.00 0.00 C ATOM 404 OG SER A 26 23.620 9.707 -9.171 1.00 0.00 O ATOM 0 H SER A 26 21.282 10.019 -10.384 1.00 0.00 H new ATOM 0 HA SER A 26 21.880 11.214 -7.892 1.00 0.00 H new ATOM 0 HB2 SER A 26 23.427 11.265 -10.498 1.00 0.00 H new ATOM 0 HB3 SER A 26 24.058 11.700 -8.923 1.00 0.00 H new ATOM 0 HG SER A 26 23.341 9.161 -9.936 1.00 0.00 H new ATOM 410 N MET A 27 21.319 13.266 -10.450 1.00 0.00 N ATOM 411 CA MET A 27 20.902 14.609 -10.802 1.00 0.00 C ATOM 412 C MET A 27 19.666 15.018 -9.992 1.00 0.00 C ATOM 413 O MET A 27 19.653 16.107 -9.413 1.00 0.00 O ATOM 414 CB MET A 27 20.675 14.651 -12.321 1.00 0.00 C ATOM 415 CG MET A 27 20.120 15.986 -12.805 1.00 0.00 C ATOM 416 SD MET A 27 18.313 16.163 -12.733 1.00 0.00 S ATOM 417 CE MET A 27 18.154 17.877 -13.301 1.00 0.00 C ATOM 0 H MET A 27 21.371 12.632 -11.248 1.00 0.00 H new ATOM 0 HA MET A 27 21.671 15.339 -10.551 1.00 0.00 H new ATOM 0 HB2 MET A 27 21.618 14.451 -12.829 1.00 0.00 H new ATOM 0 HB3 MET A 27 19.986 13.854 -12.602 1.00 0.00 H new ATOM 0 HG2 MET A 27 20.568 16.782 -12.210 1.00 0.00 H new ATOM 0 HG3 MET A 27 20.441 16.139 -13.835 1.00 0.00 H new ATOM 0 HE1 MET A 27 17.101 18.158 -13.319 1.00 0.00 H new ATOM 0 HE2 MET A 27 18.694 18.537 -12.622 1.00 0.00 H new ATOM 0 HE3 MET A 27 18.571 17.968 -14.304 1.00 0.00 H new ATOM 427 N LEU A 28 18.652 14.149 -9.917 1.00 0.00 N ATOM 428 CA LEU A 28 17.398 14.480 -9.243 1.00 0.00 C ATOM 429 C LEU A 28 17.588 14.647 -7.740 1.00 0.00 C ATOM 430 O LEU A 28 17.154 15.653 -7.178 1.00 0.00 O ATOM 431 CB LEU A 28 16.315 13.424 -9.525 1.00 0.00 C ATOM 432 CG LEU A 28 15.767 13.455 -10.964 1.00 0.00 C ATOM 433 CD1 LEU A 28 14.832 12.260 -11.185 1.00 0.00 C ATOM 434 CD2 LEU A 28 15.006 14.751 -11.272 1.00 0.00 C ATOM 0 H LEU A 28 18.678 13.211 -10.316 1.00 0.00 H new ATOM 0 HA LEU A 28 17.066 15.435 -9.650 1.00 0.00 H new ATOM 0 HB2 LEU A 28 16.727 12.435 -9.326 1.00 0.00 H new ATOM 0 HB3 LEU A 28 15.489 13.572 -8.830 1.00 0.00 H new ATOM 0 HG LEU A 28 16.623 13.403 -11.637 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.445 12.284 -12.204 1.00 0.00 H new ATOM 0 HD12 LEU A 28 15.383 11.333 -11.028 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.002 12.312 -10.481 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.640 14.723 -12.298 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.162 14.849 -10.589 1.00 0.00 H new ATOM 0 HD23 LEU A 28 15.674 15.603 -11.148 1.00 0.00 H new ATOM 446 N PHE A 29 18.216 13.679 -7.080 1.00 0.00 N ATOM 447 CA PHE A 29 18.302 13.673 -5.626 1.00 0.00 C ATOM 448 C PHE A 29 19.409 14.594 -5.102 1.00 0.00 C ATOM 449 O PHE A 29 19.276 15.112 -3.994 1.00 0.00 O ATOM 450 CB PHE A 29 18.491 12.244 -5.106 1.00 0.00 C ATOM 451 CG PHE A 29 17.227 11.407 -5.045 1.00 0.00 C ATOM 452 CD1 PHE A 29 16.746 10.729 -6.180 1.00 0.00 C ATOM 453 CD2 PHE A 29 16.533 11.288 -3.825 1.00 0.00 C ATOM 454 CE1 PHE A 29 15.583 9.947 -6.095 1.00 0.00 C ATOM 455 CE2 PHE A 29 15.366 10.510 -3.738 1.00 0.00 C ATOM 456 CZ PHE A 29 14.890 9.845 -4.878 1.00 0.00 C ATOM 0 H PHE A 29 18.674 12.887 -7.532 1.00 0.00 H new ATOM 0 HA PHE A 29 17.359 14.066 -5.246 1.00 0.00 H new ATOM 0 HB2 PHE A 29 19.214 11.735 -5.743 1.00 0.00 H new ATOM 0 HB3 PHE A 29 18.924 12.292 -4.107 1.00 0.00 H new ATOM 0 HD1 PHE A 29 17.273 10.810 -7.119 1.00 0.00 H new ATOM 0 HD2 PHE A 29 16.901 11.800 -2.948 1.00 0.00 H new ATOM 0 HE1 PHE A 29 15.221 9.423 -6.967 1.00 0.00 H new ATOM 0 HE2 PHE A 29 14.839 10.425 -2.799 1.00 0.00 H new ATOM 0 HZ PHE A 29 13.988 9.253 -4.819 1.00 0.00 H new ATOM 466 N ASN A 30 20.478 14.860 -5.865 1.00 0.00 N ATOM 467 CA ASN A 30 21.568 15.735 -5.416 1.00 0.00 C ATOM 468 C ASN A 30 21.113 17.188 -5.199 1.00 0.00 C ATOM 469 O ASN A 30 21.841 17.985 -4.607 1.00 0.00 O ATOM 470 CB ASN A 30 22.760 15.670 -6.377 1.00 0.00 C ATOM 471 CG ASN A 30 23.949 16.505 -5.905 1.00 0.00 C ATOM 472 OD1 ASN A 30 24.477 16.301 -4.816 1.00 0.00 O ATOM 473 ND2 ASN A 30 24.414 17.443 -6.715 1.00 0.00 N ATOM 0 H ASN A 30 20.611 14.479 -6.802 1.00 0.00 H new ATOM 0 HA ASN A 30 21.888 15.359 -4.444 1.00 0.00 H new ATOM 0 HB2 ASN A 30 23.073 14.632 -6.490 1.00 0.00 H new ATOM 0 HB3 ASN A 30 22.446 16.017 -7.361 1.00 0.00 H new ATOM 0 HD21 ASN A 30 25.219 18.004 -6.436 1.00 0.00 H new ATOM 0 HD22 ASN A 30 23.968 17.604 -7.618 1.00 0.00 H new ATOM 480 N GLN A 31 19.904 17.545 -5.648 1.00 0.00 N ATOM 481 CA GLN A 31 19.278 18.823 -5.341 1.00 0.00 C ATOM 482 C GLN A 31 19.151 19.045 -3.826 1.00 0.00 C ATOM 483 O GLN A 31 19.157 20.197 -3.382 1.00 0.00 O ATOM 484 CB GLN A 31 17.893 18.906 -6.007 1.00 0.00 C ATOM 485 CG GLN A 31 17.967 18.905 -7.542 1.00 0.00 C ATOM 486 CD GLN A 31 16.576 19.018 -8.168 1.00 0.00 C ATOM 487 OE1 GLN A 31 16.175 20.073 -8.654 1.00 0.00 O ATOM 488 NE2 GLN A 31 15.806 17.941 -8.161 1.00 0.00 N ATOM 0 H GLN A 31 19.332 16.943 -6.241 1.00 0.00 H new ATOM 0 HA GLN A 31 19.919 19.611 -5.738 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.286 18.063 -5.677 1.00 0.00 H new ATOM 0 HB3 GLN A 31 17.389 19.813 -5.673 1.00 0.00 H new ATOM 0 HG2 GLN A 31 18.588 19.736 -7.878 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.448 17.989 -7.884 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.150 17.071 -7.755 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.869 17.981 -8.562 1.00 0.00 H new ATOM 497 N PHE A 32 19.041 17.977 -3.025 1.00 0.00 N ATOM 498 CA PHE A 32 18.916 18.078 -1.574 1.00 0.00 C ATOM 499 C PHE A 32 20.317 18.034 -0.947 1.00 0.00 C ATOM 500 O PHE A 32 21.135 17.210 -1.370 1.00 0.00 O ATOM 501 CB PHE A 32 18.035 16.935 -1.044 1.00 0.00 C ATOM 502 CG PHE A 32 16.734 16.775 -1.820 1.00 0.00 C ATOM 503 CD1 PHE A 32 15.790 17.820 -1.868 1.00 0.00 C ATOM 504 CD2 PHE A 32 16.517 15.618 -2.591 1.00 0.00 C ATOM 505 CE1 PHE A 32 14.665 17.716 -2.707 1.00 0.00 C ATOM 506 CE2 PHE A 32 15.393 15.511 -3.421 1.00 0.00 C ATOM 507 CZ PHE A 32 14.477 16.568 -3.497 1.00 0.00 C ATOM 0 H PHE A 32 19.037 17.018 -3.371 1.00 0.00 H new ATOM 0 HA PHE A 32 18.440 19.021 -1.304 1.00 0.00 H new ATOM 0 HB2 PHE A 32 18.595 16.001 -1.089 1.00 0.00 H new ATOM 0 HB3 PHE A 32 17.805 17.118 0.006 1.00 0.00 H new ATOM 0 HD1 PHE A 32 15.930 18.702 -1.260 1.00 0.00 H new ATOM 0 HD2 PHE A 32 17.225 14.803 -2.543 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.944 18.520 -2.744 1.00 0.00 H new ATOM 0 HE2 PHE A 32 15.233 14.614 -4.002 1.00 0.00 H new ATOM 0 HZ PHE A 32 13.628 16.501 -4.161 1.00 0.00 H new ATOM 517 N PRO A 33 20.608 18.850 0.086 1.00 0.00 N ATOM 518 CA PRO A 33 21.940 18.998 0.684 1.00 0.00 C ATOM 519 C PRO A 33 22.349 17.808 1.583 1.00 0.00 C ATOM 520 O PRO A 33 23.076 17.978 2.565 1.00 0.00 O ATOM 521 CB PRO A 33 21.877 20.340 1.430 1.00 0.00 C ATOM 522 CG PRO A 33 20.422 20.418 1.882 1.00 0.00 C ATOM 523 CD PRO A 33 19.680 19.791 0.704 1.00 0.00 C ATOM 0 HA PRO A 33 22.725 18.995 -0.072 1.00 0.00 H new ATOM 0 HB2 PRO A 33 22.564 20.363 2.276 1.00 0.00 H new ATOM 0 HB3 PRO A 33 22.143 21.175 0.781 1.00 0.00 H new ATOM 0 HG2 PRO A 33 20.254 19.868 2.808 1.00 0.00 H new ATOM 0 HG3 PRO A 33 20.106 21.446 2.061 1.00 0.00 H new ATOM 0 HD2 PRO A 33 18.777 19.282 1.041 1.00 0.00 H new ATOM 0 HD3 PRO A 33 19.368 20.554 -0.009 1.00 0.00 H new ATOM 531 N GLY A 34 21.888 16.597 1.261 1.00 0.00 N ATOM 532 CA GLY A 34 22.151 15.378 2.012 1.00 0.00 C ATOM 533 C GLY A 34 22.376 14.161 1.124 1.00 0.00 C ATOM 534 O GLY A 34 22.710 13.105 1.661 1.00 0.00 O ATOM 0 H GLY A 34 21.302 16.438 0.441 1.00 0.00 H new ATOM 0 HA2 GLY A 34 23.029 15.528 2.640 1.00 0.00 H new ATOM 0 HA3 GLY A 34 21.312 15.182 2.679 1.00 0.00 H new ATOM 538 N PHE A 35 22.211 14.270 -0.197 1.00 0.00 N ATOM 539 CA PHE A 35 22.479 13.191 -1.124 1.00 0.00 C ATOM 540 C PHE A 35 23.928 12.734 -1.000 1.00 0.00 C ATOM 541 O PHE A 35 24.831 13.537 -0.744 1.00 0.00 O ATOM 542 CB PHE A 35 22.210 13.726 -2.528 1.00 0.00 C ATOM 543 CG PHE A 35 22.649 12.819 -3.660 1.00 0.00 C ATOM 544 CD1 PHE A 35 21.787 11.818 -4.135 1.00 0.00 C ATOM 545 CD2 PHE A 35 23.921 12.980 -4.241 1.00 0.00 C ATOM 546 CE1 PHE A 35 22.182 10.993 -5.196 1.00 0.00 C ATOM 547 CE2 PHE A 35 24.322 12.147 -5.298 1.00 0.00 C ATOM 548 CZ PHE A 35 23.450 11.157 -5.775 1.00 0.00 C ATOM 0 H PHE A 35 21.883 15.124 -0.648 1.00 0.00 H new ATOM 0 HA PHE A 35 21.843 12.332 -0.910 1.00 0.00 H new ATOM 0 HB2 PHE A 35 21.141 13.915 -2.629 1.00 0.00 H new ATOM 0 HB3 PHE A 35 22.715 14.686 -2.636 1.00 0.00 H new ATOM 0 HD1 PHE A 35 20.816 11.684 -3.681 1.00 0.00 H new ATOM 0 HD2 PHE A 35 24.589 13.745 -3.874 1.00 0.00 H new ATOM 0 HE1 PHE A 35 21.512 10.232 -5.568 1.00 0.00 H new ATOM 0 HE2 PHE A 35 25.299 12.268 -5.742 1.00 0.00 H new ATOM 0 HZ PHE A 35 23.756 10.519 -6.591 1.00 0.00 H new ATOM 558 N LYS A 36 24.142 11.449 -1.272 1.00 0.00 N ATOM 559 CA LYS A 36 25.467 10.859 -1.383 1.00 0.00 C ATOM 560 C LYS A 36 25.591 10.038 -2.658 1.00 0.00 C ATOM 561 O LYS A 36 26.532 10.301 -3.406 1.00 0.00 O ATOM 562 CB LYS A 36 25.798 10.020 -0.140 1.00 0.00 C ATOM 563 CG LYS A 36 26.090 10.900 1.089 1.00 0.00 C ATOM 564 CD LYS A 36 26.290 10.086 2.375 1.00 0.00 C ATOM 565 CE LYS A 36 27.303 8.943 2.265 1.00 0.00 C ATOM 566 NZ LYS A 36 28.705 9.412 2.117 1.00 0.00 N ATOM 0 H LYS A 36 23.386 10.781 -1.423 1.00 0.00 H new ATOM 0 HA LYS A 36 26.196 11.667 -1.440 1.00 0.00 H new ATOM 0 HB2 LYS A 36 24.964 9.354 0.081 1.00 0.00 H new ATOM 0 HB3 LYS A 36 26.662 9.389 -0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 36 26.984 11.495 0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 36 25.266 11.599 1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 36 26.611 10.761 3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 36 25.329 9.672 2.678 1.00 0.00 H new ATOM 0 HE2 LYS A 36 27.229 8.315 3.153 1.00 0.00 H new ATOM 0 HE3 LYS A 36 27.044 8.318 1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 29.340 8.591 2.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 28.789 9.988 1.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 28.969 9.985 2.944 1.00 0.00 H new ATOM 580 N GLU A 37 24.707 9.067 -2.933 1.00 0.00 N ATOM 581 CA GLU A 37 24.933 8.172 -4.078 1.00 0.00 C ATOM 582 C GLU A 37 23.673 7.406 -4.509 1.00 0.00 C ATOM 583 O GLU A 37 22.636 7.486 -3.852 1.00 0.00 O ATOM 584 CB GLU A 37 26.104 7.209 -3.751 1.00 0.00 C ATOM 585 CG GLU A 37 27.156 7.204 -4.873 1.00 0.00 C ATOM 586 CD GLU A 37 28.487 6.579 -4.421 1.00 0.00 C ATOM 587 OE1 GLU A 37 29.341 7.287 -3.840 1.00 0.00 O ATOM 588 OE2 GLU A 37 28.699 5.373 -4.682 1.00 0.00 O ATOM 0 H GLU A 37 23.857 8.884 -2.399 1.00 0.00 H new ATOM 0 HA GLU A 37 25.198 8.790 -4.936 1.00 0.00 H new ATOM 0 HB2 GLU A 37 26.572 7.508 -2.813 1.00 0.00 H new ATOM 0 HB3 GLU A 37 25.718 6.200 -3.607 1.00 0.00 H new ATOM 0 HG2 GLU A 37 26.769 6.651 -5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 37 27.332 8.226 -5.208 1.00 0.00 H new ATOM 595 N VAL A 38 23.775 6.643 -5.604 1.00 0.00 N ATOM 596 CA VAL A 38 22.715 5.815 -6.186 1.00 0.00 C ATOM 597 C VAL A 38 23.312 4.457 -6.578 1.00 0.00 C ATOM 598 O VAL A 38 24.500 4.367 -6.902 1.00 0.00 O ATOM 599 CB VAL A 38 22.131 6.520 -7.439 1.00 0.00 C ATOM 600 CG1 VAL A 38 21.002 5.725 -8.119 1.00 0.00 C ATOM 601 CG2 VAL A 38 21.589 7.918 -7.117 1.00 0.00 C ATOM 0 H VAL A 38 24.644 6.584 -6.134 1.00 0.00 H new ATOM 0 HA VAL A 38 21.914 5.669 -5.461 1.00 0.00 H new ATOM 0 HB VAL A 38 22.976 6.590 -8.124 1.00 0.00 H new ATOM 0 HG11 VAL A 38 20.641 6.276 -8.987 1.00 0.00 H new ATOM 0 HG12 VAL A 38 21.382 4.754 -8.438 1.00 0.00 H new ATOM 0 HG13 VAL A 38 20.183 5.581 -7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 38 21.191 8.372 -8.025 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.796 7.838 -6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 38 22.394 8.539 -6.724 1.00 0.00 H new ATOM 611 N ARG A 39 22.491 3.405 -6.589 1.00 0.00 N ATOM 612 CA ARG A 39 22.820 2.097 -7.147 1.00 0.00 C ATOM 613 C ARG A 39 21.620 1.652 -7.960 1.00 0.00 C ATOM 614 O ARG A 39 20.556 1.383 -7.404 1.00 0.00 O ATOM 615 CB ARG A 39 23.163 1.064 -6.062 1.00 0.00 C ATOM 616 CG ARG A 39 24.534 1.300 -5.425 1.00 0.00 C ATOM 617 CD ARG A 39 25.705 1.052 -6.389 1.00 0.00 C ATOM 618 NE ARG A 39 26.999 1.266 -5.723 1.00 0.00 N ATOM 619 CZ ARG A 39 27.557 2.459 -5.477 1.00 0.00 C ATOM 620 NH1 ARG A 39 26.989 3.592 -5.869 1.00 0.00 N ATOM 621 NH2 ARG A 39 28.703 2.558 -4.820 1.00 0.00 N ATOM 0 H ARG A 39 21.550 3.444 -6.197 1.00 0.00 H new ATOM 0 HA ARG A 39 23.712 2.175 -7.768 1.00 0.00 H new ATOM 0 HB2 ARG A 39 22.398 1.092 -5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 39 23.138 0.065 -6.498 1.00 0.00 H new ATOM 0 HG2 ARG A 39 24.585 2.326 -5.059 1.00 0.00 H new ATOM 0 HG3 ARG A 39 24.641 0.647 -4.559 1.00 0.00 H new ATOM 0 HD2 ARG A 39 25.654 0.033 -6.772 1.00 0.00 H new ATOM 0 HD3 ARG A 39 25.620 1.719 -7.247 1.00 0.00 H new ATOM 0 HE ARG A 39 27.514 0.438 -5.424 1.00 0.00 H new ATOM 0 HH11 ARG A 39 26.102 3.570 -6.373 1.00 0.00 H new ATOM 0 HH12 ARG A 39 27.439 4.485 -5.666 1.00 0.00 H new ATOM 0 HH21 ARG A 39 29.177 1.717 -4.491 1.00 0.00 H new ATOM 0 HH22 ARG A 39 29.112 3.476 -4.643 1.00 0.00 H new ATOM 635 N LEU A 40 21.776 1.631 -9.278 1.00 0.00 N ATOM 636 CA LEU A 40 20.791 1.026 -10.170 1.00 0.00 C ATOM 637 C LEU A 40 20.944 -0.492 -10.089 1.00 0.00 C ATOM 638 O LEU A 40 21.933 -1.010 -9.561 1.00 0.00 O ATOM 639 CB LEU A 40 20.969 1.545 -11.619 1.00 0.00 C ATOM 640 CG LEU A 40 19.915 2.575 -12.083 1.00 0.00 C ATOM 641 CD1 LEU A 40 18.549 1.924 -12.303 1.00 0.00 C ATOM 642 CD2 LEU A 40 19.782 3.766 -11.129 1.00 0.00 C ATOM 0 H LEU A 40 22.583 2.030 -9.758 1.00 0.00 H new ATOM 0 HA LEU A 40 19.783 1.303 -9.863 1.00 0.00 H new ATOM 0 HB2 LEU A 40 21.958 1.996 -11.708 1.00 0.00 H new ATOM 0 HB3 LEU A 40 20.945 0.693 -12.299 1.00 0.00 H new ATOM 0 HG LEU A 40 20.279 2.960 -13.036 1.00 0.00 H new ATOM 0 HD11 LEU A 40 17.834 2.680 -12.629 1.00 0.00 H new ATOM 0 HD12 LEU A 40 18.633 1.151 -13.067 1.00 0.00 H new ATOM 0 HD13 LEU A 40 18.205 1.477 -11.371 1.00 0.00 H new ATOM 0 HD21 LEU A 40 19.027 4.454 -11.509 1.00 0.00 H new ATOM 0 HD22 LEU A 40 19.485 3.410 -10.142 1.00 0.00 H new ATOM 0 HD23 LEU A 40 20.739 4.282 -11.056 1.00 0.00 H new ATOM 654 N VAL A 41 19.986 -1.203 -10.675 1.00 0.00 N ATOM 655 CA VAL A 41 20.047 -2.642 -10.879 1.00 0.00 C ATOM 656 C VAL A 41 20.062 -2.822 -12.393 1.00 0.00 C ATOM 657 O VAL A 41 18.986 -2.893 -12.987 1.00 0.00 O ATOM 658 CB VAL A 41 18.897 -3.355 -10.132 1.00 0.00 C ATOM 659 CG1 VAL A 41 19.006 -4.882 -10.270 1.00 0.00 C ATOM 660 CG2 VAL A 41 18.910 -3.004 -8.633 1.00 0.00 C ATOM 0 H VAL A 41 19.127 -0.783 -11.029 1.00 0.00 H new ATOM 0 HA VAL A 41 20.935 -3.111 -10.456 1.00 0.00 H new ATOM 0 HB VAL A 41 17.967 -3.011 -10.584 1.00 0.00 H new ATOM 0 HG11 VAL A 41 18.183 -5.355 -9.734 1.00 0.00 H new ATOM 0 HG12 VAL A 41 18.958 -5.156 -11.324 1.00 0.00 H new ATOM 0 HG13 VAL A 41 19.954 -5.219 -9.850 1.00 0.00 H new ATOM 0 HG21 VAL A 41 18.091 -3.519 -8.132 1.00 0.00 H new ATOM 0 HG22 VAL A 41 19.858 -3.317 -8.194 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.791 -1.927 -8.510 1.00 0.00 H new ATOM 670 N PRO A 42 21.236 -2.868 -13.054 1.00 0.00 N ATOM 671 CA PRO A 42 21.352 -2.915 -14.516 1.00 0.00 C ATOM 672 C PRO A 42 20.976 -4.281 -15.123 1.00 0.00 C ATOM 673 O PRO A 42 21.447 -4.668 -16.193 1.00 0.00 O ATOM 674 CB PRO A 42 22.790 -2.474 -14.814 1.00 0.00 C ATOM 675 CG PRO A 42 23.556 -2.998 -13.604 1.00 0.00 C ATOM 676 CD PRO A 42 22.567 -2.774 -12.463 1.00 0.00 C ATOM 0 HA PRO A 42 20.632 -2.251 -14.994 1.00 0.00 H new ATOM 0 HB2 PRO A 42 23.161 -2.903 -15.745 1.00 0.00 H new ATOM 0 HB3 PRO A 42 22.871 -1.391 -14.907 1.00 0.00 H new ATOM 0 HG2 PRO A 42 23.817 -4.051 -13.714 1.00 0.00 H new ATOM 0 HG3 PRO A 42 24.487 -2.454 -13.446 1.00 0.00 H new ATOM 0 HD2 PRO A 42 22.699 -3.521 -11.681 1.00 0.00 H new ATOM 0 HD3 PRO A 42 22.720 -1.799 -12.001 1.00 0.00 H new ATOM 684 N ASN A 43 20.104 -5.004 -14.424 1.00 0.00 N ATOM 685 CA ASN A 43 19.441 -6.228 -14.822 1.00 0.00 C ATOM 686 C ASN A 43 17.916 -6.054 -14.797 1.00 0.00 C ATOM 687 O ASN A 43 17.215 -6.910 -15.338 1.00 0.00 O ATOM 688 CB ASN A 43 19.871 -7.405 -13.930 1.00 0.00 C ATOM 689 CG ASN A 43 21.352 -7.735 -14.077 1.00 0.00 C ATOM 690 OD1 ASN A 43 21.771 -8.355 -15.051 1.00 0.00 O ATOM 691 ND2 ASN A 43 22.177 -7.323 -13.125 1.00 0.00 N ATOM 0 H ASN A 43 19.824 -4.718 -13.486 1.00 0.00 H new ATOM 0 HA ASN A 43 19.742 -6.455 -15.845 1.00 0.00 H new ATOM 0 HB2 ASN A 43 19.657 -7.165 -12.889 1.00 0.00 H new ATOM 0 HB3 ASN A 43 19.279 -8.284 -14.183 1.00 0.00 H new ATOM 0 HD21 ASN A 43 23.175 -7.520 -13.195 1.00 0.00 H new ATOM 0 HD22 ASN A 43 21.814 -6.809 -12.322 1.00 0.00 H new ATOM 698 N ARG A 44 17.386 -4.960 -14.220 1.00 0.00 N ATOM 699 CA ARG A 44 15.956 -4.641 -14.269 1.00 0.00 C ATOM 700 C ARG A 44 15.686 -3.190 -14.662 1.00 0.00 C ATOM 701 O ARG A 44 14.705 -2.946 -15.359 1.00 0.00 O ATOM 702 CB ARG A 44 15.288 -4.988 -12.924 1.00 0.00 C ATOM 703 CG ARG A 44 14.557 -6.339 -13.004 1.00 0.00 C ATOM 704 CD ARG A 44 13.723 -6.643 -11.755 1.00 0.00 C ATOM 705 NE ARG A 44 12.624 -5.676 -11.581 1.00 0.00 N ATOM 706 CZ ARG A 44 11.583 -5.801 -10.753 1.00 0.00 C ATOM 707 NH1 ARG A 44 11.452 -6.877 -9.979 1.00 0.00 N ATOM 708 NH2 ARG A 44 10.671 -4.837 -10.703 1.00 0.00 N ATOM 0 H ARG A 44 17.941 -4.275 -13.708 1.00 0.00 H new ATOM 0 HA ARG A 44 15.514 -5.255 -15.054 1.00 0.00 H new ATOM 0 HB2 ARG A 44 16.042 -5.025 -12.138 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.582 -4.204 -12.652 1.00 0.00 H new ATOM 0 HG2 ARG A 44 13.906 -6.343 -13.878 1.00 0.00 H new ATOM 0 HG3 ARG A 44 15.289 -7.134 -13.148 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.313 -7.650 -11.828 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.366 -6.624 -10.875 1.00 0.00 H new ATOM 0 HE ARG A 44 12.662 -4.829 -12.148 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.152 -7.619 -10.014 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.652 -6.959 -9.351 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.769 -4.011 -11.293 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.872 -4.923 -10.074 1.00 0.00 H new ATOM 722 N HIS A 45 16.547 -2.251 -14.264 1.00 0.00 N ATOM 723 CA HIS A 45 16.477 -0.803 -14.486 1.00 0.00 C ATOM 724 C HIS A 45 15.243 -0.101 -13.897 1.00 0.00 C ATOM 725 O HIS A 45 15.321 1.093 -13.620 1.00 0.00 O ATOM 726 CB HIS A 45 16.662 -0.449 -15.971 1.00 0.00 C ATOM 727 CG HIS A 45 17.938 -0.978 -16.581 1.00 0.00 C ATOM 728 ND1 HIS A 45 18.094 -2.166 -17.262 1.00 0.00 N ATOM 729 CD2 HIS A 45 19.150 -0.340 -16.602 1.00 0.00 C ATOM 730 CE1 HIS A 45 19.369 -2.239 -17.683 1.00 0.00 C ATOM 731 NE2 HIS A 45 20.057 -1.145 -17.305 1.00 0.00 N ATOM 0 H HIS A 45 17.381 -2.504 -13.734 1.00 0.00 H new ATOM 0 HA HIS A 45 17.317 -0.406 -13.916 1.00 0.00 H new ATOM 0 HB2 HIS A 45 15.814 -0.840 -16.534 1.00 0.00 H new ATOM 0 HB3 HIS A 45 16.644 0.635 -16.079 1.00 0.00 H new ATOM 0 HD2 HIS A 45 19.369 0.618 -16.154 1.00 0.00 H new ATOM 0 HE1 HIS A 45 19.784 -3.062 -18.247 1.00 0.00 H new ATOM 0 HE2 HIS A 45 21.039 -0.943 -17.492 1.00 0.00 H new ATOM 739 N ASP A 46 14.130 -0.801 -13.657 1.00 0.00 N ATOM 740 CA ASP A 46 12.900 -0.214 -13.124 1.00 0.00 C ATOM 741 C ASP A 46 12.945 -0.060 -11.601 1.00 0.00 C ATOM 742 O ASP A 46 12.009 0.490 -11.019 1.00 0.00 O ATOM 743 CB ASP A 46 11.663 -1.014 -13.563 1.00 0.00 C ATOM 744 CG ASP A 46 11.438 -2.274 -12.723 1.00 0.00 C ATOM 745 OD1 ASP A 46 12.294 -3.182 -12.761 1.00 0.00 O ATOM 746 OD2 ASP A 46 10.396 -2.395 -12.044 1.00 0.00 O ATOM 0 H ASP A 46 14.059 -1.804 -13.830 1.00 0.00 H new ATOM 0 HA ASP A 46 12.820 0.788 -13.545 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.782 -0.376 -13.495 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.772 -1.296 -14.610 1.00 0.00 H new ATOM 751 N ILE A 47 14.025 -0.506 -10.950 1.00 0.00 N ATOM 752 CA ILE A 47 14.254 -0.402 -9.515 1.00 0.00 C ATOM 753 C ILE A 47 15.670 0.126 -9.252 1.00 0.00 C ATOM 754 O ILE A 47 16.549 0.001 -10.111 1.00 0.00 O ATOM 755 CB ILE A 47 14.050 -1.784 -8.858 1.00 0.00 C ATOM 756 CG1 ILE A 47 15.235 -2.706 -9.237 1.00 0.00 C ATOM 757 CG2 ILE A 47 12.673 -2.373 -9.221 1.00 0.00 C ATOM 758 CD1 ILE A 47 14.978 -4.189 -9.058 1.00 0.00 C ATOM 0 H ILE A 47 14.794 -0.969 -11.435 1.00 0.00 H new ATOM 0 HA ILE A 47 13.541 0.298 -9.079 1.00 0.00 H new ATOM 0 HB ILE A 47 14.045 -1.685 -7.772 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.500 -2.522 -10.278 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.099 -2.427 -8.634 1.00 0.00 H new ATOM 0 HG21 ILE A 47 12.557 -3.346 -8.745 1.00 0.00 H new ATOM 0 HG22 ILE A 47 11.887 -1.702 -8.873 1.00 0.00 H new ATOM 0 HG23 ILE A 47 12.600 -2.487 -10.303 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.866 -4.750 -9.350 1.00 0.00 H new ATOM 0 HD12 ILE A 47 14.746 -4.394 -8.013 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.137 -4.491 -9.683 1.00 0.00 H new ATOM 770 N ALA A 48 15.901 0.671 -8.058 1.00 0.00 N ATOM 771 CA ALA A 48 17.192 1.210 -7.638 1.00 0.00 C ATOM 772 C ALA A 48 17.247 1.351 -6.121 1.00 0.00 C ATOM 773 O ALA A 48 16.254 1.131 -5.427 1.00 0.00 O ATOM 774 CB ALA A 48 17.409 2.597 -8.268 1.00 0.00 C ATOM 0 H ALA A 48 15.180 0.751 -7.341 1.00 0.00 H new ATOM 0 HA ALA A 48 17.971 0.522 -7.966 1.00 0.00 H new ATOM 0 HB1 ALA A 48 18.373 2.994 -7.951 1.00 0.00 H new ATOM 0 HB2 ALA A 48 17.392 2.510 -9.354 1.00 0.00 H new ATOM 0 HB3 ALA A 48 16.616 3.271 -7.945 1.00 0.00 H new ATOM 780 N PHE A 49 18.397 1.794 -5.624 1.00 0.00 N ATOM 781 CA PHE A 49 18.619 2.213 -4.255 1.00 0.00 C ATOM 782 C PHE A 49 19.296 3.583 -4.307 1.00 0.00 C ATOM 783 O PHE A 49 20.016 3.885 -5.262 1.00 0.00 O ATOM 784 CB PHE A 49 19.495 1.204 -3.499 1.00 0.00 C ATOM 785 CG PHE A 49 18.874 -0.161 -3.265 1.00 0.00 C ATOM 786 CD1 PHE A 49 18.929 -1.150 -4.269 1.00 0.00 C ATOM 787 CD2 PHE A 49 18.272 -0.459 -2.025 1.00 0.00 C ATOM 788 CE1 PHE A 49 18.383 -2.425 -4.036 1.00 0.00 C ATOM 789 CE2 PHE A 49 17.742 -1.740 -1.788 1.00 0.00 C ATOM 790 CZ PHE A 49 17.798 -2.723 -2.793 1.00 0.00 C ATOM 0 H PHE A 49 19.237 1.872 -6.197 1.00 0.00 H new ATOM 0 HA PHE A 49 17.671 2.269 -3.719 1.00 0.00 H new ATOM 0 HB2 PHE A 49 20.424 1.070 -4.053 1.00 0.00 H new ATOM 0 HB3 PHE A 49 19.760 1.633 -2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 49 19.392 -0.928 -5.219 1.00 0.00 H new ATOM 0 HD2 PHE A 49 18.218 0.298 -1.256 1.00 0.00 H new ATOM 0 HE1 PHE A 49 18.413 -3.175 -4.812 1.00 0.00 H new ATOM 0 HE2 PHE A 49 17.292 -1.969 -0.834 1.00 0.00 H new ATOM 0 HZ PHE A 49 17.392 -3.707 -2.609 1.00 0.00 H new ATOM 800 N VAL A 50 19.092 4.406 -3.281 1.00 0.00 N ATOM 801 CA VAL A 50 19.669 5.743 -3.163 1.00 0.00 C ATOM 802 C VAL A 50 20.181 5.873 -1.725 1.00 0.00 C ATOM 803 O VAL A 50 19.575 5.331 -0.800 1.00 0.00 O ATOM 804 CB VAL A 50 18.614 6.810 -3.547 1.00 0.00 C ATOM 805 CG1 VAL A 50 19.180 8.235 -3.499 1.00 0.00 C ATOM 806 CG2 VAL A 50 18.044 6.581 -4.956 1.00 0.00 C ATOM 0 H VAL A 50 18.504 4.154 -2.486 1.00 0.00 H new ATOM 0 HA VAL A 50 20.502 5.902 -3.848 1.00 0.00 H new ATOM 0 HB VAL A 50 17.823 6.704 -2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.401 8.945 -3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 50 19.528 8.454 -2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 50 20.013 8.319 -4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.309 7.353 -5.181 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.852 6.625 -5.687 1.00 0.00 H new ATOM 0 HG23 VAL A 50 17.567 5.602 -5.001 1.00 0.00 H new ATOM 816 N GLU A 51 21.298 6.570 -1.533 1.00 0.00 N ATOM 817 CA GLU A 51 22.032 6.655 -0.280 1.00 0.00 C ATOM 818 C GLU A 51 22.189 8.130 0.070 1.00 0.00 C ATOM 819 O GLU A 51 22.584 8.936 -0.783 1.00 0.00 O ATOM 820 CB GLU A 51 23.394 5.957 -0.452 1.00 0.00 C ATOM 821 CG GLU A 51 24.292 6.069 0.789 1.00 0.00 C ATOM 822 CD GLU A 51 25.623 5.323 0.592 1.00 0.00 C ATOM 823 OE1 GLU A 51 25.661 4.081 0.745 1.00 0.00 O ATOM 824 OE2 GLU A 51 26.650 5.980 0.307 1.00 0.00 O ATOM 0 H GLU A 51 21.732 7.113 -2.280 1.00 0.00 H new ATOM 0 HA GLU A 51 21.504 6.156 0.533 1.00 0.00 H new ATOM 0 HB2 GLU A 51 23.229 4.904 -0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 51 23.912 6.391 -1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 51 24.491 7.119 1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 51 23.770 5.661 1.655 1.00 0.00 H new ATOM 831 N PHE A 52 21.879 8.460 1.327 1.00 0.00 N ATOM 832 CA PHE A 52 21.869 9.810 1.863 1.00 0.00 C ATOM 833 C PHE A 52 22.694 9.870 3.146 1.00 0.00 C ATOM 834 O PHE A 52 23.044 8.852 3.745 1.00 0.00 O ATOM 835 CB PHE A 52 20.413 10.236 2.123 1.00 0.00 C ATOM 836 CG PHE A 52 19.828 11.095 1.030 1.00 0.00 C ATOM 837 CD1 PHE A 52 19.629 10.550 -0.250 1.00 0.00 C ATOM 838 CD2 PHE A 52 19.510 12.443 1.278 1.00 0.00 C ATOM 839 CE1 PHE A 52 19.165 11.363 -1.293 1.00 0.00 C ATOM 840 CE2 PHE A 52 19.036 13.254 0.236 1.00 0.00 C ATOM 841 CZ PHE A 52 18.888 12.718 -1.055 1.00 0.00 C ATOM 0 H PHE A 52 21.619 7.760 2.022 1.00 0.00 H new ATOM 0 HA PHE A 52 22.316 10.498 1.145 1.00 0.00 H new ATOM 0 HB2 PHE A 52 19.798 9.344 2.240 1.00 0.00 H new ATOM 0 HB3 PHE A 52 20.366 10.781 3.066 1.00 0.00 H new ATOM 0 HD1 PHE A 52 19.834 9.505 -0.430 1.00 0.00 H new ATOM 0 HD2 PHE A 52 19.631 12.853 2.270 1.00 0.00 H new ATOM 0 HE1 PHE A 52 19.021 10.947 -2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 52 18.785 14.287 0.425 1.00 0.00 H new ATOM 0 HZ PHE A 52 18.560 13.351 -1.866 1.00 0.00 H new ATOM 851 N THR A 53 23.019 11.091 3.555 1.00 0.00 N ATOM 852 CA THR A 53 23.777 11.398 4.754 1.00 0.00 C ATOM 853 C THR A 53 22.999 10.975 5.997 1.00 0.00 C ATOM 854 O THR A 53 23.515 10.207 6.814 1.00 0.00 O ATOM 855 CB THR A 53 24.070 12.910 4.758 1.00 0.00 C ATOM 856 OG1 THR A 53 24.860 13.254 3.636 1.00 0.00 O ATOM 857 CG2 THR A 53 24.779 13.366 6.036 1.00 0.00 C ATOM 0 H THR A 53 22.748 11.926 3.036 1.00 0.00 H new ATOM 0 HA THR A 53 24.718 10.847 4.764 1.00 0.00 H new ATOM 0 HB THR A 53 23.108 13.420 4.713 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.297 13.275 2.834 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.962 14.439 5.987 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.152 13.144 6.899 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.729 12.840 6.133 1.00 0.00 H new ATOM 865 N THR A 54 21.752 11.427 6.118 1.00 0.00 N ATOM 866 CA THR A 54 20.974 11.305 7.335 1.00 0.00 C ATOM 867 C THR A 54 19.557 10.877 6.996 1.00 0.00 C ATOM 868 O THR A 54 19.015 11.186 5.933 1.00 0.00 O ATOM 869 CB THR A 54 21.006 12.645 8.108 1.00 0.00 C ATOM 870 OG1 THR A 54 21.222 13.764 7.252 1.00 0.00 O ATOM 871 CG2 THR A 54 22.112 12.634 9.165 1.00 0.00 C ATOM 0 H THR A 54 21.253 11.893 5.360 1.00 0.00 H new ATOM 0 HA THR A 54 21.404 10.539 7.980 1.00 0.00 H new ATOM 0 HB THR A 54 20.027 12.746 8.577 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.232 14.586 7.785 1.00 0.00 H new ATOM 0 HG21 THR A 54 22.117 13.586 9.697 1.00 0.00 H new ATOM 0 HG22 THR A 54 21.932 11.824 9.872 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.077 12.484 8.680 1.00 0.00 H new ATOM 879 N GLU A 55 18.957 10.145 7.925 1.00 0.00 N ATOM 880 CA GLU A 55 17.650 9.514 7.778 1.00 0.00 C ATOM 881 C GLU A 55 16.560 10.573 7.570 1.00 0.00 C ATOM 882 O GLU A 55 15.635 10.372 6.784 1.00 0.00 O ATOM 883 CB GLU A 55 17.342 8.649 9.013 1.00 0.00 C ATOM 884 CG GLU A 55 18.467 7.657 9.371 1.00 0.00 C ATOM 885 CD GLU A 55 19.393 8.186 10.483 1.00 0.00 C ATOM 886 OE1 GLU A 55 20.186 9.118 10.219 1.00 0.00 O ATOM 887 OE2 GLU A 55 19.341 7.666 11.621 1.00 0.00 O ATOM 0 H GLU A 55 19.382 9.967 8.835 1.00 0.00 H new ATOM 0 HA GLU A 55 17.667 8.871 6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.160 9.302 9.867 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.422 8.092 8.836 1.00 0.00 H new ATOM 0 HG2 GLU A 55 18.026 6.713 9.690 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.059 7.448 8.480 1.00 0.00 H new ATOM 894 N LEU A 56 16.691 11.729 8.230 1.00 0.00 N ATOM 895 CA LEU A 56 15.747 12.838 8.099 1.00 0.00 C ATOM 896 C LEU A 56 15.833 13.454 6.703 1.00 0.00 C ATOM 897 O LEU A 56 14.799 13.775 6.117 1.00 0.00 O ATOM 898 CB LEU A 56 16.013 13.913 9.171 1.00 0.00 C ATOM 899 CG LEU A 56 15.296 13.659 10.513 1.00 0.00 C ATOM 900 CD1 LEU A 56 15.728 12.357 11.201 1.00 0.00 C ATOM 901 CD2 LEU A 56 15.559 14.835 11.463 1.00 0.00 C ATOM 0 H LEU A 56 17.460 11.920 8.873 1.00 0.00 H new ATOM 0 HA LEU A 56 14.741 12.445 8.247 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.086 13.973 9.351 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.700 14.882 8.783 1.00 0.00 H new ATOM 0 HG LEU A 56 14.234 13.563 10.285 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.184 12.243 12.139 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.509 11.511 10.549 1.00 0.00 H new ATOM 0 HD13 LEU A 56 16.798 12.391 11.405 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.053 14.657 12.412 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.631 14.930 11.636 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.180 15.755 11.017 1.00 0.00 H new ATOM 913 N GLN A 57 17.039 13.601 6.141 1.00 0.00 N ATOM 914 CA GLN A 57 17.186 14.122 4.783 1.00 0.00 C ATOM 915 C GLN A 57 16.724 13.084 3.758 1.00 0.00 C ATOM 916 O GLN A 57 16.105 13.452 2.760 1.00 0.00 O ATOM 917 CB GLN A 57 18.628 14.572 4.518 1.00 0.00 C ATOM 918 CG GLN A 57 19.025 15.729 5.447 1.00 0.00 C ATOM 919 CD GLN A 57 20.260 16.458 4.926 1.00 0.00 C ATOM 920 OE1 GLN A 57 20.156 17.494 4.277 1.00 0.00 O ATOM 921 NE2 GLN A 57 21.445 15.924 5.163 1.00 0.00 N ATOM 0 H GLN A 57 17.918 13.368 6.603 1.00 0.00 H new ATOM 0 HA GLN A 57 16.549 15.000 4.681 1.00 0.00 H new ATOM 0 HB2 GLN A 57 19.307 13.733 4.666 1.00 0.00 H new ATOM 0 HB3 GLN A 57 18.730 14.884 3.479 1.00 0.00 H new ATOM 0 HG2 GLN A 57 18.195 16.430 5.533 1.00 0.00 H new ATOM 0 HG3 GLN A 57 19.222 15.344 6.447 1.00 0.00 H new ATOM 0 HE21 GLN A 57 21.517 15.062 5.704 1.00 0.00 H new ATOM 0 HE22 GLN A 57 22.288 16.373 4.805 1.00 0.00 H new ATOM 930 N SER A 58 16.947 11.795 4.033 1.00 0.00 N ATOM 931 CA SER A 58 16.392 10.697 3.245 1.00 0.00 C ATOM 932 C SER A 58 14.862 10.819 3.193 1.00 0.00 C ATOM 933 O SER A 58 14.272 10.769 2.114 1.00 0.00 O ATOM 934 CB SER A 58 16.803 9.342 3.841 1.00 0.00 C ATOM 935 OG SER A 58 18.181 9.289 4.172 1.00 0.00 O ATOM 0 H SER A 58 17.523 11.485 4.816 1.00 0.00 H new ATOM 0 HA SER A 58 16.788 10.755 2.231 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.210 9.147 4.735 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.573 8.550 3.128 1.00 0.00 H new ATOM 0 HG SER A 58 18.361 9.896 4.920 1.00 0.00 H new ATOM 941 N ASN A 59 14.220 11.042 4.347 1.00 0.00 N ATOM 942 CA ASN A 59 12.780 11.258 4.435 1.00 0.00 C ATOM 943 C ASN A 59 12.344 12.495 3.655 1.00 0.00 C ATOM 944 O ASN A 59 11.370 12.431 2.913 1.00 0.00 O ATOM 945 CB ASN A 59 12.339 11.358 5.902 1.00 0.00 C ATOM 946 CG ASN A 59 10.868 11.755 6.017 1.00 0.00 C ATOM 947 OD1 ASN A 59 9.981 11.045 5.557 1.00 0.00 O ATOM 948 ND2 ASN A 59 10.582 12.888 6.635 1.00 0.00 N ATOM 0 H ASN A 59 14.694 11.077 5.250 1.00 0.00 H new ATOM 0 HA ASN A 59 12.290 10.397 3.980 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.499 10.400 6.397 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.957 12.092 6.420 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.611 13.183 6.735 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.332 13.467 7.012 1.00 0.00 H new ATOM 955 N ALA A 60 13.064 13.608 3.774 1.00 0.00 N ATOM 956 CA ALA A 60 12.726 14.832 3.053 1.00 0.00 C ATOM 957 C ALA A 60 12.777 14.617 1.537 1.00 0.00 C ATOM 958 O ALA A 60 11.865 15.028 0.821 1.00 0.00 O ATOM 959 CB ALA A 60 13.648 15.973 3.488 1.00 0.00 C ATOM 0 H ALA A 60 13.890 13.687 4.367 1.00 0.00 H new ATOM 0 HA ALA A 60 11.701 15.107 3.303 1.00 0.00 H new ATOM 0 HB1 ALA A 60 13.386 16.880 2.943 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.533 16.146 4.558 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.683 15.707 3.273 1.00 0.00 H new ATOM 965 N ALA A 61 13.814 13.937 1.050 1.00 0.00 N ATOM 966 CA ALA A 61 13.957 13.625 -0.366 1.00 0.00 C ATOM 967 C ALA A 61 12.862 12.661 -0.834 1.00 0.00 C ATOM 968 O ALA A 61 12.314 12.830 -1.923 1.00 0.00 O ATOM 969 CB ALA A 61 15.340 13.031 -0.629 1.00 0.00 C ATOM 0 H ALA A 61 14.578 13.588 1.629 1.00 0.00 H new ATOM 0 HA ALA A 61 13.851 14.549 -0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.441 12.800 -1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 61 16.106 13.751 -0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.461 12.118 -0.045 1.00 0.00 H new ATOM 975 N LYS A 62 12.512 11.670 -0.005 1.00 0.00 N ATOM 976 CA LYS A 62 11.403 10.759 -0.266 1.00 0.00 C ATOM 977 C LYS A 62 10.111 11.558 -0.422 1.00 0.00 C ATOM 978 O LYS A 62 9.433 11.412 -1.436 1.00 0.00 O ATOM 979 CB LYS A 62 11.337 9.712 0.859 1.00 0.00 C ATOM 980 CG LYS A 62 10.148 8.751 0.735 1.00 0.00 C ATOM 981 CD LYS A 62 10.118 7.790 1.928 1.00 0.00 C ATOM 982 CE LYS A 62 8.913 6.852 1.805 1.00 0.00 C ATOM 983 NZ LYS A 62 8.732 6.039 3.026 1.00 0.00 N ATOM 0 H LYS A 62 12.998 11.481 0.872 1.00 0.00 H new ATOM 0 HA LYS A 62 11.552 10.219 -1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.261 9.134 0.861 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.280 10.225 1.819 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.217 9.316 0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.223 8.186 -0.194 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.040 7.210 1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.059 8.353 2.860 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.012 7.437 1.620 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.048 6.195 0.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.736 5.750 3.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.335 5.193 2.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.997 6.601 3.860 1.00 0.00 H new ATOM 997 N GLU A 63 9.785 12.432 0.530 1.00 0.00 N ATOM 998 CA GLU A 63 8.577 13.251 0.479 1.00 0.00 C ATOM 999 C GLU A 63 8.563 14.118 -0.786 1.00 0.00 C ATOM 1000 O GLU A 63 7.516 14.296 -1.410 1.00 0.00 O ATOM 1001 CB GLU A 63 8.488 14.133 1.736 1.00 0.00 C ATOM 1002 CG GLU A 63 8.185 13.357 3.027 1.00 0.00 C ATOM 1003 CD GLU A 63 6.709 12.932 3.121 1.00 0.00 C ATOM 1004 OE1 GLU A 63 5.879 13.716 3.638 1.00 0.00 O ATOM 1005 OE2 GLU A 63 6.360 11.807 2.697 1.00 0.00 O ATOM 0 H GLU A 63 10.355 12.592 1.361 1.00 0.00 H new ATOM 0 HA GLU A 63 7.710 12.592 0.448 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.430 14.668 1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.712 14.884 1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.819 12.472 3.073 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.438 13.976 3.888 1.00 0.00 H new ATOM 1012 N ALA A 64 9.730 14.640 -1.174 1.00 0.00 N ATOM 1013 CA ALA A 64 9.880 15.533 -2.311 1.00 0.00 C ATOM 1014 C ALA A 64 9.698 14.827 -3.660 1.00 0.00 C ATOM 1015 O ALA A 64 9.124 15.429 -4.570 1.00 0.00 O ATOM 1016 CB ALA A 64 11.266 16.174 -2.252 1.00 0.00 C ATOM 0 H ALA A 64 10.609 14.446 -0.694 1.00 0.00 H new ATOM 0 HA ALA A 64 9.094 16.285 -2.243 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.392 16.847 -3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.367 16.737 -1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 64 12.029 15.396 -2.290 1.00 0.00 H new ATOM 1022 N LEU A 65 10.177 13.584 -3.813 1.00 0.00 N ATOM 1023 CA LEU A 65 10.250 12.914 -5.119 1.00 0.00 C ATOM 1024 C LEU A 65 9.356 11.679 -5.236 1.00 0.00 C ATOM 1025 O LEU A 65 9.292 11.092 -6.317 1.00 0.00 O ATOM 1026 CB LEU A 65 11.712 12.585 -5.487 1.00 0.00 C ATOM 1027 CG LEU A 65 12.618 13.799 -5.767 1.00 0.00 C ATOM 1028 CD1 LEU A 65 14.026 13.313 -6.131 1.00 0.00 C ATOM 1029 CD2 LEU A 65 12.110 14.686 -6.912 1.00 0.00 C ATOM 0 H LEU A 65 10.523 13.017 -3.039 1.00 0.00 H new ATOM 0 HA LEU A 65 9.855 13.627 -5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 65 12.151 12.007 -4.674 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.710 11.945 -6.369 1.00 0.00 H new ATOM 0 HG LEU A 65 12.619 14.398 -4.856 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.667 14.172 -6.329 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.437 12.736 -5.303 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.976 12.685 -7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.795 15.522 -7.056 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.055 14.100 -7.829 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.119 15.067 -6.665 1.00 0.00 H new ATOM 1041 N GLN A 66 8.630 11.277 -4.188 1.00 0.00 N ATOM 1042 CA GLN A 66 7.597 10.258 -4.357 1.00 0.00 C ATOM 1043 C GLN A 66 6.591 10.752 -5.405 1.00 0.00 C ATOM 1044 O GLN A 66 6.090 11.877 -5.326 1.00 0.00 O ATOM 1045 CB GLN A 66 6.874 9.930 -3.039 1.00 0.00 C ATOM 1046 CG GLN A 66 7.550 8.798 -2.250 1.00 0.00 C ATOM 1047 CD GLN A 66 6.703 8.341 -1.058 1.00 0.00 C ATOM 1048 OE1 GLN A 66 5.999 9.121 -0.421 1.00 0.00 O ATOM 1049 NE2 GLN A 66 6.724 7.058 -0.734 1.00 0.00 N ATOM 0 H GLN A 66 8.736 11.632 -3.238 1.00 0.00 H new ATOM 0 HA GLN A 66 8.075 9.336 -4.688 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.836 10.826 -2.419 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.843 9.649 -3.256 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.729 7.951 -2.913 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.523 9.136 -1.894 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.308 6.408 -1.261 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.157 6.719 0.043 1.00 0.00 H new ATOM 1058 N GLY A 67 6.299 9.894 -6.382 1.00 0.00 N ATOM 1059 CA GLY A 67 5.369 10.161 -7.471 1.00 0.00 C ATOM 1060 C GLY A 67 5.958 11.043 -8.578 1.00 0.00 C ATOM 1061 O GLY A 67 5.219 11.439 -9.480 1.00 0.00 O ATOM 0 H GLY A 67 6.718 8.966 -6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.048 9.214 -7.905 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.479 10.644 -7.068 1.00 0.00 H new ATOM 1065 N PHE A 68 7.253 11.378 -8.532 1.00 0.00 N ATOM 1066 CA PHE A 68 7.878 12.274 -9.498 1.00 0.00 C ATOM 1067 C PHE A 68 7.995 11.554 -10.839 1.00 0.00 C ATOM 1068 O PHE A 68 8.607 10.490 -10.912 1.00 0.00 O ATOM 1069 CB PHE A 68 9.257 12.705 -8.983 1.00 0.00 C ATOM 1070 CG PHE A 68 9.998 13.658 -9.898 1.00 0.00 C ATOM 1071 CD1 PHE A 68 9.762 15.044 -9.813 1.00 0.00 C ATOM 1072 CD2 PHE A 68 10.929 13.163 -10.830 1.00 0.00 C ATOM 1073 CE1 PHE A 68 10.456 15.930 -10.658 1.00 0.00 C ATOM 1074 CE2 PHE A 68 11.615 14.049 -11.677 1.00 0.00 C ATOM 1075 CZ PHE A 68 11.381 15.433 -11.591 1.00 0.00 C ATOM 0 H PHE A 68 7.895 11.031 -7.819 1.00 0.00 H new ATOM 0 HA PHE A 68 7.270 13.169 -9.631 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.136 13.177 -8.008 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.869 11.816 -8.832 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.048 15.427 -9.099 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.116 12.101 -10.894 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.277 16.993 -10.589 1.00 0.00 H new ATOM 0 HE2 PHE A 68 12.324 13.666 -12.396 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.912 16.113 -12.241 1.00 0.00 H new ATOM 1085 N LYS A 69 7.431 12.120 -11.909 1.00 0.00 N ATOM 1086 CA LYS A 69 7.638 11.600 -13.264 1.00 0.00 C ATOM 1087 C LYS A 69 9.111 11.754 -13.604 1.00 0.00 C ATOM 1088 O LYS A 69 9.582 12.872 -13.814 1.00 0.00 O ATOM 1089 CB LYS A 69 6.773 12.333 -14.309 1.00 0.00 C ATOM 1090 CG LYS A 69 5.546 11.524 -14.739 1.00 0.00 C ATOM 1091 CD LYS A 69 4.535 11.264 -13.613 1.00 0.00 C ATOM 1092 CE LYS A 69 3.481 10.221 -14.017 1.00 0.00 C ATOM 1093 NZ LYS A 69 2.549 10.693 -15.073 1.00 0.00 N ATOM 0 H LYS A 69 6.826 12.940 -11.863 1.00 0.00 H new ATOM 0 HA LYS A 69 7.338 10.553 -13.290 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.446 13.288 -13.898 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.381 12.555 -15.186 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.043 12.052 -15.549 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.879 10.567 -15.141 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.063 10.920 -12.724 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.039 12.198 -13.348 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.988 9.322 -14.367 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.905 9.939 -13.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.626 10.229 -14.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.431 11.723 -14.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.937 10.458 -16.009 1.00 0.00 H new ATOM 1107 N ILE A 70 9.825 10.633 -13.684 1.00 0.00 N ATOM 1108 CA ILE A 70 11.188 10.647 -14.216 1.00 0.00 C ATOM 1109 C ILE A 70 11.031 10.768 -15.740 1.00 0.00 C ATOM 1110 O ILE A 70 11.689 11.595 -16.376 1.00 0.00 O ATOM 1111 CB ILE A 70 11.952 9.384 -13.785 1.00 0.00 C ATOM 1112 CG1 ILE A 70 12.038 9.261 -12.250 1.00 0.00 C ATOM 1113 CG2 ILE A 70 13.371 9.422 -14.371 1.00 0.00 C ATOM 1114 CD1 ILE A 70 12.420 7.847 -11.806 1.00 0.00 C ATOM 0 H ILE A 70 9.490 9.715 -13.392 1.00 0.00 H new ATOM 0 HA ILE A 70 11.781 11.477 -13.832 1.00 0.00 H new ATOM 0 HB ILE A 70 11.407 8.519 -14.161 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.773 9.971 -11.871 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.078 9.531 -11.811 1.00 0.00 H new ATOM 0 HG21 ILE A 70 13.914 8.527 -14.067 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.315 9.460 -15.459 1.00 0.00 H new ATOM 0 HG23 ILE A 70 13.893 10.306 -14.004 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.469 7.808 -10.718 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.671 7.139 -12.161 1.00 0.00 H new ATOM 0 HD13 ILE A 70 13.393 7.585 -12.222 1.00 0.00 H new ATOM 1126 N THR A 71 10.086 10.008 -16.297 1.00 0.00 N ATOM 1127 CA THR A 71 9.603 10.099 -17.668 1.00 0.00 C ATOM 1128 C THR A 71 8.073 10.073 -17.550 1.00 0.00 C ATOM 1129 O THR A 71 7.589 9.512 -16.564 1.00 0.00 O ATOM 1130 CB THR A 71 10.214 8.922 -18.464 1.00 0.00 C ATOM 1131 OG1 THR A 71 11.626 8.911 -18.322 1.00 0.00 O ATOM 1132 CG2 THR A 71 9.906 8.883 -19.961 1.00 0.00 C ATOM 0 H THR A 71 9.614 9.273 -15.771 1.00 0.00 H new ATOM 0 HA THR A 71 9.893 11.000 -18.208 1.00 0.00 H new ATOM 0 HB THR A 71 9.735 8.047 -18.026 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.000 8.161 -18.829 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.388 8.014 -20.409 1.00 0.00 H new ATOM 0 HG22 THR A 71 8.828 8.817 -20.109 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.282 9.790 -20.434 1.00 0.00 H new ATOM 1140 N PRO A 72 7.296 10.683 -18.474 1.00 0.00 N ATOM 1141 CA PRO A 72 5.851 10.894 -18.333 1.00 0.00 C ATOM 1142 C PRO A 72 4.988 9.704 -17.893 1.00 0.00 C ATOM 1143 O PRO A 72 3.875 9.925 -17.416 1.00 0.00 O ATOM 1144 CB PRO A 72 5.382 11.440 -19.682 1.00 0.00 C ATOM 1145 CG PRO A 72 6.582 12.266 -20.127 1.00 0.00 C ATOM 1146 CD PRO A 72 7.763 11.425 -19.646 1.00 0.00 C ATOM 0 HA PRO A 72 5.711 11.576 -17.494 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.153 10.641 -20.387 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.482 12.048 -19.585 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.598 12.407 -21.208 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.581 13.258 -19.676 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.098 10.744 -20.428 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.612 12.059 -19.391 1.00 0.00 H new ATOM 1154 N THR A 73 5.476 8.471 -18.006 1.00 0.00 N ATOM 1155 CA THR A 73 4.747 7.242 -17.720 1.00 0.00 C ATOM 1156 C THR A 73 5.331 6.474 -16.528 1.00 0.00 C ATOM 1157 O THR A 73 4.854 5.386 -16.194 1.00 0.00 O ATOM 1158 CB THR A 73 4.767 6.399 -19.011 1.00 0.00 C ATOM 1159 OG1 THR A 73 6.101 6.340 -19.507 1.00 0.00 O ATOM 1160 CG2 THR A 73 3.878 7.016 -20.097 1.00 0.00 C ATOM 0 H THR A 73 6.433 8.296 -18.313 1.00 0.00 H new ATOM 0 HA THR A 73 3.724 7.476 -17.427 1.00 0.00 H new ATOM 0 HB THR A 73 4.391 5.405 -18.771 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.655 5.813 -18.894 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.915 6.397 -20.993 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.851 7.073 -19.737 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.235 8.018 -20.334 1.00 0.00 H new ATOM 1168 N HIS A 74 6.345 7.036 -15.865 1.00 0.00 N ATOM 1169 CA HIS A 74 7.150 6.369 -14.859 1.00 0.00 C ATOM 1170 C HIS A 74 7.311 7.314 -13.674 1.00 0.00 C ATOM 1171 O HIS A 74 8.328 7.997 -13.513 1.00 0.00 O ATOM 1172 CB HIS A 74 8.472 5.908 -15.478 1.00 0.00 C ATOM 1173 CG HIS A 74 8.304 4.750 -16.433 1.00 0.00 C ATOM 1174 ND1 HIS A 74 7.978 4.814 -17.773 1.00 0.00 N ATOM 1175 CD2 HIS A 74 8.413 3.423 -16.111 1.00 0.00 C ATOM 1176 CE1 HIS A 74 7.903 3.558 -18.241 1.00 0.00 C ATOM 1177 NE2 HIS A 74 8.169 2.668 -17.266 1.00 0.00 N ATOM 0 H HIS A 74 6.632 8.002 -16.025 1.00 0.00 H new ATOM 0 HA HIS A 74 6.669 5.465 -14.487 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.931 6.744 -16.006 1.00 0.00 H new ATOM 0 HB3 HIS A 74 9.158 5.619 -14.682 1.00 0.00 H new ATOM 0 HD2 HIS A 74 8.647 3.026 -15.134 1.00 0.00 H new ATOM 0 HE1 HIS A 74 7.662 3.297 -19.261 1.00 0.00 H new ATOM 0 HE2 HIS A 74 8.189 1.652 -17.351 1.00 0.00 H new ATOM 1185 N ALA A 75 6.234 7.401 -12.893 1.00 0.00 N ATOM 1186 CA ALA A 75 6.224 8.060 -11.598 1.00 0.00 C ATOM 1187 C ALA A 75 7.092 7.234 -10.646 1.00 0.00 C ATOM 1188 O ALA A 75 6.742 6.099 -10.316 1.00 0.00 O ATOM 1189 CB ALA A 75 4.786 8.156 -11.071 1.00 0.00 C ATOM 0 H ALA A 75 5.330 7.006 -13.153 1.00 0.00 H new ATOM 0 HA ALA A 75 6.619 9.073 -11.679 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.787 8.651 -10.100 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.180 8.731 -11.771 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.369 7.154 -10.967 1.00 0.00 H new ATOM 1195 N MET A 76 8.215 7.807 -10.223 1.00 0.00 N ATOM 1196 CA MET A 76 9.121 7.253 -9.231 1.00 0.00 C ATOM 1197 C MET A 76 8.357 6.831 -7.978 1.00 0.00 C ATOM 1198 O MET A 76 7.601 7.627 -7.417 1.00 0.00 O ATOM 1199 CB MET A 76 10.128 8.356 -8.868 1.00 0.00 C ATOM 1200 CG MET A 76 11.277 7.872 -7.981 1.00 0.00 C ATOM 1201 SD MET A 76 12.334 9.196 -7.331 1.00 0.00 S ATOM 1202 CE MET A 76 12.889 10.049 -8.832 1.00 0.00 C ATOM 0 H MET A 76 8.529 8.709 -10.580 1.00 0.00 H new ATOM 0 HA MET A 76 9.623 6.372 -9.632 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.541 8.775 -9.786 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.602 9.163 -8.358 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.862 7.312 -7.143 1.00 0.00 H new ATOM 0 HG3 MET A 76 11.894 7.179 -8.553 1.00 0.00 H new ATOM 0 HE1 MET A 76 13.528 10.889 -8.558 1.00 0.00 H new ATOM 0 HE2 MET A 76 13.450 9.355 -9.458 1.00 0.00 H new ATOM 0 HE3 MET A 76 12.023 10.416 -9.383 1.00 0.00 H new ATOM 1212 N LYS A 77 8.593 5.612 -7.497 1.00 0.00 N ATOM 1213 CA LYS A 77 8.119 5.171 -6.191 1.00 0.00 C ATOM 1214 C LYS A 77 9.359 5.046 -5.319 1.00 0.00 C ATOM 1215 O LYS A 77 10.416 4.647 -5.809 1.00 0.00 O ATOM 1216 CB LYS A 77 7.392 3.829 -6.299 1.00 0.00 C ATOM 1217 CG LYS A 77 5.980 3.928 -6.897 1.00 0.00 C ATOM 1218 CD LYS A 77 5.155 2.663 -6.602 1.00 0.00 C ATOM 1219 CE LYS A 77 5.720 1.414 -7.299 1.00 0.00 C ATOM 1220 NZ LYS A 77 5.186 0.158 -6.722 1.00 0.00 N ATOM 0 H LYS A 77 9.120 4.902 -8.005 1.00 0.00 H new ATOM 0 HA LYS A 77 7.404 5.877 -5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.988 3.153 -6.912 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.324 3.383 -5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.470 4.800 -6.488 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.049 4.076 -7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.129 2.493 -5.526 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.126 2.821 -6.925 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.480 1.454 -8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.807 1.415 -7.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.370 -0.630 -7.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.652 -0.031 -5.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.161 0.252 -6.573 1.00 0.00 H new ATOM 1234 N ILE A 78 9.231 5.388 -4.039 1.00 0.00 N ATOM 1235 CA ILE A 78 10.329 5.438 -3.080 1.00 0.00 C ATOM 1236 C ILE A 78 9.799 4.804 -1.795 1.00 0.00 C ATOM 1237 O ILE A 78 8.653 5.057 -1.415 1.00 0.00 O ATOM 1238 CB ILE A 78 10.778 6.900 -2.822 1.00 0.00 C ATOM 1239 CG1 ILE A 78 10.936 7.758 -4.101 1.00 0.00 C ATOM 1240 CG2 ILE A 78 12.074 6.934 -1.988 1.00 0.00 C ATOM 1241 CD1 ILE A 78 11.283 9.221 -3.815 1.00 0.00 C ATOM 0 H ILE A 78 8.333 5.645 -3.630 1.00 0.00 H new ATOM 0 HA ILE A 78 11.202 4.906 -3.457 1.00 0.00 H new ATOM 0 HB ILE A 78 9.964 7.357 -2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.716 7.323 -4.727 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.009 7.718 -4.673 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.371 7.969 -1.819 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.903 6.444 -1.029 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.866 6.413 -2.525 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.379 9.763 -4.756 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.492 9.672 -3.215 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.226 9.272 -3.270 1.00 0.00 H new ATOM 1253 N THR A 79 10.646 4.050 -1.108 1.00 0.00 N ATOM 1254 CA THR A 79 10.366 3.348 0.137 1.00 0.00 C ATOM 1255 C THR A 79 11.652 3.365 0.976 1.00 0.00 C ATOM 1256 O THR A 79 12.747 3.484 0.418 1.00 0.00 O ATOM 1257 CB THR A 79 9.887 1.911 -0.177 1.00 0.00 C ATOM 1258 OG1 THR A 79 10.301 1.423 -1.453 1.00 0.00 O ATOM 1259 CG2 THR A 79 8.359 1.861 -0.189 1.00 0.00 C ATOM 0 H THR A 79 11.605 3.903 -1.424 1.00 0.00 H new ATOM 0 HA THR A 79 9.569 3.830 0.703 1.00 0.00 H new ATOM 0 HB THR A 79 10.333 1.293 0.602 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.172 1.808 -1.683 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.030 0.846 -0.411 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.977 2.161 0.787 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.979 2.540 -0.952 1.00 0.00 H new ATOM 1267 N PHE A 80 11.556 3.286 2.305 1.00 0.00 N ATOM 1268 CA PHE A 80 12.753 3.216 3.139 1.00 0.00 C ATOM 1269 C PHE A 80 13.386 1.831 2.974 1.00 0.00 C ATOM 1270 O PHE A 80 12.690 0.818 3.087 1.00 0.00 O ATOM 1271 CB PHE A 80 12.402 3.512 4.602 1.00 0.00 C ATOM 1272 CG PHE A 80 12.027 4.960 4.871 1.00 0.00 C ATOM 1273 CD1 PHE A 80 12.931 5.999 4.574 1.00 0.00 C ATOM 1274 CD2 PHE A 80 10.772 5.276 5.421 1.00 0.00 C ATOM 1275 CE1 PHE A 80 12.564 7.341 4.771 1.00 0.00 C ATOM 1276 CE2 PHE A 80 10.417 6.616 5.661 1.00 0.00 C ATOM 1277 CZ PHE A 80 11.303 7.649 5.311 1.00 0.00 C ATOM 0 H PHE A 80 10.675 3.269 2.819 1.00 0.00 H new ATOM 0 HA PHE A 80 13.475 3.970 2.826 1.00 0.00 H new ATOM 0 HB2 PHE A 80 11.572 2.872 4.902 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.253 3.246 5.229 1.00 0.00 H new ATOM 0 HD1 PHE A 80 13.913 5.762 4.192 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.076 4.485 5.661 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.249 8.134 4.508 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.465 6.850 6.114 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.015 8.680 5.457 1.00 0.00 H new ATOM 1287 N ALA A 81 14.697 1.786 2.703 1.00 0.00 N ATOM 1288 CA ALA A 81 15.457 0.538 2.711 1.00 0.00 C ATOM 1289 C ALA A 81 15.694 0.083 4.159 1.00 0.00 C ATOM 1290 O ALA A 81 15.258 0.733 5.113 1.00 0.00 O ATOM 1291 CB ALA A 81 16.778 0.711 1.946 1.00 0.00 C ATOM 0 H ALA A 81 15.254 2.610 2.474 1.00 0.00 H new ATOM 0 HA ALA A 81 14.885 -0.238 2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 81 17.333 -0.227 1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 81 16.567 0.991 0.914 1.00 0.00 H new ATOM 0 HB3 ALA A 81 17.373 1.492 2.420 1.00 0.00 H new ATOM 1297 N LYS A 82 16.410 -1.032 4.326 1.00 0.00 N ATOM 1298 CA LYS A 82 16.595 -1.713 5.606 1.00 0.00 C ATOM 1299 C LYS A 82 18.072 -2.074 5.729 1.00 0.00 C ATOM 1300 O LYS A 82 18.517 -3.067 5.147 1.00 0.00 O ATOM 1301 CB LYS A 82 15.685 -2.955 5.665 1.00 0.00 C ATOM 1302 CG LYS A 82 14.191 -2.585 5.636 1.00 0.00 C ATOM 1303 CD LYS A 82 13.249 -3.798 5.583 1.00 0.00 C ATOM 1304 CE LYS A 82 13.532 -4.679 4.354 1.00 0.00 C ATOM 1305 NZ LYS A 82 12.457 -5.665 4.098 1.00 0.00 N ATOM 0 H LYS A 82 16.888 -1.496 3.554 1.00 0.00 H new ATOM 0 HA LYS A 82 16.317 -1.074 6.444 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.912 -3.609 4.823 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.900 -3.518 6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.956 -1.994 6.521 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.001 -1.952 4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.365 -4.390 6.491 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.215 -3.456 5.556 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.653 -4.044 3.477 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.475 -5.205 4.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.789 -6.369 3.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.205 -6.143 4.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.621 -5.176 3.718 1.00 0.00 H new ATOM 1319 N LYS A 83 18.843 -1.230 6.419 1.00 0.00 N ATOM 1320 CA LYS A 83 20.234 -1.535 6.741 1.00 0.00 C ATOM 1321 C LYS A 83 20.265 -2.802 7.592 1.00 0.00 C ATOM 1322 O LYS A 83 19.430 -2.932 8.514 1.00 0.00 O ATOM 1323 CB LYS A 83 20.914 -0.363 7.467 1.00 0.00 C ATOM 1324 CG LYS A 83 21.124 0.847 6.539 1.00 0.00 C ATOM 1325 CD LYS A 83 21.797 2.035 7.242 1.00 0.00 C ATOM 1326 CE LYS A 83 23.240 1.721 7.666 1.00 0.00 C ATOM 1327 NZ LYS A 83 23.887 2.873 8.341 1.00 0.00 N ATOM 1328 OXT LYS A 83 21.129 -3.666 7.346 1.00 0.00 O ATOM 0 H LYS A 83 18.523 -0.326 6.766 1.00 0.00 H new ATOM 0 HA LYS A 83 20.792 -1.696 5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 83 20.306 -0.064 8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 83 21.877 -0.690 7.860 1.00 0.00 H new ATOM 0 HG2 LYS A 83 21.733 0.543 5.688 1.00 0.00 H new ATOM 0 HG3 LYS A 83 20.160 1.165 6.143 1.00 0.00 H new ATOM 0 HD2 LYS A 83 21.796 2.897 6.575 1.00 0.00 H new ATOM 0 HD3 LYS A 83 21.215 2.312 8.121 1.00 0.00 H new ATOM 0 HE2 LYS A 83 23.241 0.861 8.336 1.00 0.00 H new ATOM 0 HE3 LYS A 83 23.823 1.442 6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 24.916 2.727 8.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 23.674 3.746 7.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 23.525 2.954 9.312 1.00 0.00 H new TER 1342 LYS A 83