USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 906 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 107 LYS NZ :NH3+ -154:sc= 0.831 (180deg=-0.663) USER MOD Set 1.2: A 108 ASN : amide:sc= 0.942 K(o=1.8,f=-17!) USER MOD Set 2.1: A 63 GLN :FLIP amide:sc= -2.53 F(o=-9!,f=-4.1) USER MOD Set 2.2: A 90 SER OG : rot -90:sc= 0.0201 USER MOD Set 2.3: A 94 SER OG : rot 6:sc= -1.61! USER MOD Single : A 3 THR OG1 : rot 27:sc= 0.164 USER MOD Single : A 10 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.47) USER MOD Single : A 11 THR OG1 : rot 80:sc= -0.224 USER MOD Single : A 15 SER OG : rot 180:sc= 0.00741 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00394 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -160:sc= 0.29 (180deg=0.156) USER MOD Single : A 25 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.2) USER MOD Single : A 31 GLN :FLIP amide:sc= -4.36! C(o=-9.5!,f=-4.4!) USER MOD Single : A 32 SER OG : rot 77:sc= 0.505 USER MOD Single : A 37 THR OG1 : rot 100:sc= 1.48 USER MOD Single : A 42 ASN : amide:sc= -7.13! C(o=-7.1!,f=-7.2!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0796 K(o=-0.08,f=-1.3!) USER MOD Single : A 60 ASN : amide:sc= 0.603 K(o=0.6,f=-3.4!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc=-0.00217 X(o=-0.0022,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -142:sc= -0.587 (180deg=-2.44!) USER MOD Single : A 85 MET CE :methyl 139:sc= -0.528 (180deg=-0.744) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0317 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0656 USER MOD Single : A 99 HIS : no HD1:sc= -0.0122 X(o=-0.012,f=0) USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 110 THR OG1 : rot -63:sc= 1.31 USER MOD Single : A 120 ASN : amide:sc= 0.0339 X(o=0.034,f=0) USER MOD Single : A 124 HIS : no HE2:sc= -14.1! C(o=-14!,f=-15!) USER MOD Single : A 128 THR OG1 : rot 14:sc= 0.548 USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 -16.682 9.531 -3.848 1.00 0.00 N ATOM 31 CA THR A 3 -15.369 8.916 -3.934 1.00 0.00 C ATOM 32 C THR A 3 -15.517 7.398 -4.059 1.00 0.00 C ATOM 33 O THR A 3 -16.435 6.811 -3.485 1.00 0.00 O ATOM 34 CB THR A 3 -14.546 9.266 -2.675 1.00 0.00 C ATOM 35 OG1 THR A 3 -14.506 10.689 -2.510 1.00 0.00 O ATOM 36 CG2 THR A 3 -13.127 8.729 -2.761 1.00 0.00 C ATOM 0 HA THR A 3 -14.850 9.296 -4.814 1.00 0.00 H new ATOM 0 HB THR A 3 -15.031 8.798 -1.818 1.00 0.00 H new ATOM 0 HG1 THR A 3 -15.302 11.088 -2.919 1.00 0.00 H new ATOM 0 HG21 THR A 3 -12.581 8.996 -1.856 1.00 0.00 H new ATOM 0 HG22 THR A 3 -13.154 7.644 -2.861 1.00 0.00 H new ATOM 0 HG23 THR A 3 -12.626 9.161 -3.628 1.00 0.00 H new ATOM 44 N ILE A 4 -14.608 6.777 -4.814 1.00 0.00 N ATOM 45 CA ILE A 4 -14.680 5.343 -5.115 1.00 0.00 C ATOM 46 C ILE A 4 -14.723 4.465 -3.863 1.00 0.00 C ATOM 47 O ILE A 4 -15.122 3.306 -3.931 1.00 0.00 O ATOM 48 CB ILE A 4 -13.520 4.884 -6.038 1.00 0.00 C ATOM 49 CG1 ILE A 4 -12.184 5.558 -5.673 1.00 0.00 C ATOM 50 CG2 ILE A 4 -13.870 5.159 -7.490 1.00 0.00 C ATOM 51 CD1 ILE A 4 -11.554 5.057 -4.390 1.00 0.00 C ATOM 0 H ILE A 4 -13.806 7.249 -5.232 1.00 0.00 H new ATOM 0 HA ILE A 4 -15.625 5.210 -5.642 1.00 0.00 H new ATOM 0 HB ILE A 4 -13.390 3.812 -5.892 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -11.480 5.406 -6.491 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -12.346 6.632 -5.587 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -13.050 4.833 -8.130 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -14.776 4.614 -7.755 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -14.036 6.227 -7.628 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.618 5.587 -4.213 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.235 5.234 -3.557 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -11.355 3.989 -4.475 1.00 0.00 H new ATOM 63 N VAL A 5 -14.306 5.015 -2.733 1.00 0.00 N ATOM 64 CA VAL A 5 -14.370 4.307 -1.468 1.00 0.00 C ATOM 65 C VAL A 5 -15.691 4.593 -0.755 1.00 0.00 C ATOM 66 O VAL A 5 -16.261 3.725 -0.103 1.00 0.00 O ATOM 67 CB VAL A 5 -13.196 4.696 -0.545 1.00 0.00 C ATOM 68 CG1 VAL A 5 -12.977 6.197 -0.533 1.00 0.00 C ATOM 69 CG2 VAL A 5 -13.448 4.185 0.849 1.00 0.00 C ATOM 0 H VAL A 5 -13.917 5.956 -2.669 1.00 0.00 H new ATOM 0 HA VAL A 5 -14.302 3.242 -1.690 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.288 4.235 -0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -12.143 6.438 0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -12.752 6.540 -1.543 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -13.879 6.693 -0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.615 4.463 1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -14.369 4.622 1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.543 3.099 0.827 1.00 0.00 H new ATOM 79 N ASP A 6 -16.166 5.821 -0.890 1.00 0.00 N ATOM 80 CA ASP A 6 -17.396 6.256 -0.236 1.00 0.00 C ATOM 81 C ASP A 6 -18.551 5.381 -0.660 1.00 0.00 C ATOM 82 O ASP A 6 -19.355 4.934 0.158 1.00 0.00 O ATOM 83 CB ASP A 6 -17.721 7.698 -0.601 1.00 0.00 C ATOM 84 CG ASP A 6 -18.849 8.268 0.243 1.00 0.00 C ATOM 85 OD1 ASP A 6 -18.614 8.576 1.432 1.00 0.00 O ATOM 86 OD2 ASP A 6 -19.982 8.399 -0.274 1.00 0.00 O1- ATOM 0 H ASP A 6 -15.715 6.543 -1.452 1.00 0.00 H new ATOM 0 HA ASP A 6 -17.245 6.179 0.841 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.829 8.312 -0.474 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.997 7.750 -1.654 1.00 0.00 H new ATOM 91 N ILE A 7 -18.609 5.146 -1.961 1.00 0.00 N ATOM 92 CA ILE A 7 -19.641 4.310 -2.553 1.00 0.00 C ATOM 93 C ILE A 7 -19.660 2.905 -1.939 1.00 0.00 C ATOM 94 O ILE A 7 -20.665 2.220 -2.004 1.00 0.00 O ATOM 95 CB ILE A 7 -19.464 4.192 -4.075 1.00 0.00 C ATOM 96 CG1 ILE A 7 -19.281 5.581 -4.677 1.00 0.00 C ATOM 97 CG2 ILE A 7 -20.683 3.509 -4.697 1.00 0.00 C ATOM 98 CD1 ILE A 7 -18.555 5.573 -5.999 1.00 0.00 C ATOM 0 H ILE A 7 -17.945 5.528 -2.634 1.00 0.00 H new ATOM 0 HA ILE A 7 -20.591 4.799 -2.339 1.00 0.00 H new ATOM 0 HB ILE A 7 -18.581 3.589 -4.286 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -20.260 6.042 -4.812 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -18.730 6.204 -3.973 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -20.546 3.431 -5.776 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -20.797 2.511 -4.273 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -21.576 4.097 -4.486 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -18.461 6.594 -6.368 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -17.563 5.142 -5.867 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -19.116 4.977 -6.719 1.00 0.00 H new ATOM 110 N ALA A 8 -18.556 2.479 -1.335 1.00 0.00 N ATOM 111 CA ALA A 8 -18.504 1.162 -0.707 1.00 0.00 C ATOM 112 C ALA A 8 -19.552 1.043 0.401 1.00 0.00 C ATOM 113 O ALA A 8 -20.130 -0.020 0.609 1.00 0.00 O ATOM 114 CB ALA A 8 -17.112 0.879 -0.166 1.00 0.00 C ATOM 0 H ALA A 8 -17.693 3.019 -1.267 1.00 0.00 H new ATOM 0 HA ALA A 8 -18.732 0.415 -1.468 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -17.095 -0.107 0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -16.391 0.908 -0.983 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -16.850 1.633 0.576 1.00 0.00 H new ATOM 120 N VAL A 9 -19.802 2.137 1.111 1.00 0.00 N ATOM 121 CA VAL A 9 -20.874 2.169 2.103 1.00 0.00 C ATOM 122 C VAL A 9 -22.222 2.390 1.414 1.00 0.00 C ATOM 123 O VAL A 9 -23.277 1.999 1.921 1.00 0.00 O ATOM 124 CB VAL A 9 -20.649 3.284 3.148 1.00 0.00 C ATOM 125 CG1 VAL A 9 -21.673 3.191 4.269 1.00 0.00 C ATOM 126 CG2 VAL A 9 -19.238 3.219 3.708 1.00 0.00 C ATOM 0 H VAL A 9 -19.281 3.009 1.020 1.00 0.00 H new ATOM 0 HA VAL A 9 -20.872 1.208 2.618 1.00 0.00 H new ATOM 0 HB VAL A 9 -20.777 4.245 2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -21.494 3.987 4.992 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -22.676 3.296 3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -21.584 2.224 4.764 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -19.101 4.013 4.442 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -19.080 2.252 4.186 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -18.519 3.345 2.898 1.00 0.00 H new ATOM 136 N ASN A 10 -22.166 2.992 0.236 1.00 0.00 N ATOM 137 CA ASN A 10 -23.360 3.342 -0.529 1.00 0.00 C ATOM 138 C ASN A 10 -23.898 2.133 -1.298 1.00 0.00 C ATOM 139 O ASN A 10 -25.090 2.056 -1.600 1.00 0.00 O ATOM 140 CB ASN A 10 -23.008 4.458 -1.517 1.00 0.00 C ATOM 141 CG ASN A 10 -24.193 5.018 -2.264 1.00 0.00 C ATOM 142 OD1 ASN A 10 -25.316 5.042 -1.763 1.00 0.00 O ATOM 143 ND2 ASN A 10 -23.938 5.489 -3.469 1.00 0.00 N ATOM 0 H ASN A 10 -21.292 3.253 -0.220 1.00 0.00 H new ATOM 0 HA ASN A 10 -24.133 3.676 0.164 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -22.519 5.267 -0.975 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -22.286 4.075 -2.238 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -24.689 5.895 -4.027 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -22.990 5.447 -3.843 1.00 0.00 H new ATOM 150 N THR A 11 -23.015 1.187 -1.599 1.00 0.00 N ATOM 151 CA THR A 11 -23.371 0.032 -2.408 1.00 0.00 C ATOM 152 C THR A 11 -24.424 -0.839 -1.745 1.00 0.00 C ATOM 153 O THR A 11 -24.296 -1.204 -0.575 1.00 0.00 O ATOM 154 CB THR A 11 -22.156 -0.841 -2.739 1.00 0.00 C ATOM 155 OG1 THR A 11 -21.311 -0.988 -1.595 1.00 0.00 O ATOM 156 CG2 THR A 11 -21.372 -0.261 -3.902 1.00 0.00 C ATOM 0 H THR A 11 -22.042 1.200 -1.292 1.00 0.00 H new ATOM 0 HA THR A 11 -23.780 0.446 -3.330 1.00 0.00 H new ATOM 0 HB THR A 11 -22.521 -1.826 -3.029 1.00 0.00 H new ATOM 0 HG1 THR A 11 -21.683 -1.671 -0.999 1.00 0.00 H new ATOM 0 HG21 THR A 11 -20.515 -0.899 -4.117 1.00 0.00 H new ATOM 0 HG22 THR A 11 -22.013 -0.206 -4.782 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.024 0.739 -3.644 1.00 0.00 H new ATOM 164 N PRO A 12 -25.481 -1.190 -2.486 1.00 0.00 N ATOM 165 CA PRO A 12 -26.509 -2.102 -2.014 1.00 0.00 C ATOM 166 C PRO A 12 -26.069 -3.554 -2.113 1.00 0.00 C ATOM 167 O PRO A 12 -26.573 -4.314 -2.943 1.00 0.00 O ATOM 168 CB PRO A 12 -27.697 -1.839 -2.952 1.00 0.00 C ATOM 169 CG PRO A 12 -27.281 -0.706 -3.832 1.00 0.00 C ATOM 170 CD PRO A 12 -25.789 -0.712 -3.835 1.00 0.00 C ATOM 0 HA PRO A 12 -26.744 -1.938 -0.962 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -27.933 -2.725 -3.541 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -28.593 -1.585 -2.386 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -27.673 -0.832 -4.841 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -27.666 0.242 -3.456 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -25.386 -1.372 -4.603 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -25.378 0.280 -4.019 1.00 0.00 H new ATOM 178 N GLY A 13 -25.106 -3.921 -1.287 1.00 0.00 N ATOM 179 CA GLY A 13 -24.668 -5.298 -1.227 1.00 0.00 C ATOM 180 C GLY A 13 -23.813 -5.684 -2.412 1.00 0.00 C ATOM 181 O GLY A 13 -24.042 -6.718 -3.037 1.00 0.00 O ATOM 0 H GLY A 13 -24.617 -3.288 -0.654 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -24.103 -5.457 -0.308 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -25.539 -5.952 -1.183 1.00 0.00 H new ATOM 185 N PHE A 14 -22.844 -4.835 -2.741 1.00 0.00 N ATOM 186 CA PHE A 14 -21.912 -5.124 -3.837 1.00 0.00 C ATOM 187 C PHE A 14 -21.027 -6.331 -3.512 1.00 0.00 C ATOM 188 O PHE A 14 -21.257 -7.052 -2.537 1.00 0.00 O ATOM 189 CB PHE A 14 -21.012 -3.917 -4.119 1.00 0.00 C ATOM 190 CG PHE A 14 -20.754 -3.670 -5.580 1.00 0.00 C ATOM 191 CD1 PHE A 14 -21.733 -3.106 -6.382 1.00 0.00 C ATOM 192 CD2 PHE A 14 -19.534 -3.998 -6.151 1.00 0.00 C ATOM 193 CE1 PHE A 14 -21.501 -2.873 -7.723 1.00 0.00 C ATOM 194 CE2 PHE A 14 -19.296 -3.769 -7.493 1.00 0.00 C ATOM 195 CZ PHE A 14 -20.281 -3.206 -8.279 1.00 0.00 C ATOM 0 H PHE A 14 -22.680 -3.945 -2.270 1.00 0.00 H new ATOM 0 HA PHE A 14 -22.514 -5.348 -4.717 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -21.470 -3.027 -3.687 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.058 -4.063 -3.612 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -22.689 -2.845 -5.953 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -18.760 -4.438 -5.540 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -22.272 -2.431 -8.336 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -18.341 -4.030 -7.926 1.00 0.00 H new ATOM 0 HZ PHE A 14 -20.098 -3.026 -9.328 1.00 0.00 H new ATOM 205 N SER A 15 -20.018 -6.538 -4.341 1.00 0.00 N ATOM 206 CA SER A 15 -19.034 -7.581 -4.122 1.00 0.00 C ATOM 207 C SER A 15 -18.268 -7.326 -2.826 1.00 0.00 C ATOM 208 O SER A 15 -18.218 -6.197 -2.329 1.00 0.00 O ATOM 209 CB SER A 15 -18.068 -7.606 -5.304 1.00 0.00 C ATOM 210 OG SER A 15 -18.776 -7.553 -6.532 1.00 0.00 O ATOM 0 H SER A 15 -19.859 -5.987 -5.185 1.00 0.00 H new ATOM 0 HA SER A 15 -19.539 -8.543 -4.037 1.00 0.00 H new ATOM 0 HB2 SER A 15 -17.382 -6.761 -5.237 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.463 -8.512 -5.266 1.00 0.00 H new ATOM 0 HG SER A 15 -18.140 -7.568 -7.277 1.00 0.00 H new ATOM 216 N THR A 16 -17.652 -8.377 -2.298 1.00 0.00 N ATOM 217 CA THR A 16 -16.924 -8.302 -1.040 1.00 0.00 C ATOM 218 C THR A 16 -15.767 -7.307 -1.124 1.00 0.00 C ATOM 219 O THR A 16 -15.248 -6.867 -0.103 1.00 0.00 O ATOM 220 CB THR A 16 -16.395 -9.689 -0.631 1.00 0.00 C ATOM 221 OG1 THR A 16 -17.427 -10.670 -0.810 1.00 0.00 O ATOM 222 CG2 THR A 16 -15.944 -9.698 0.822 1.00 0.00 C ATOM 0 H THR A 16 -17.644 -9.301 -2.729 1.00 0.00 H new ATOM 0 HA THR A 16 -17.622 -7.952 -0.280 1.00 0.00 H new ATOM 0 HB THR A 16 -15.538 -9.925 -1.262 1.00 0.00 H new ATOM 0 HG1 THR A 16 -17.088 -11.552 -0.551 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.576 -10.690 1.082 1.00 0.00 H new ATOM 0 HG22 THR A 16 -15.147 -8.967 0.960 1.00 0.00 H new ATOM 0 HG23 THR A 16 -16.786 -9.443 1.466 1.00 0.00 H new ATOM 230 N LEU A 17 -15.366 -6.962 -2.343 1.00 0.00 N ATOM 231 CA LEU A 17 -14.337 -5.951 -2.559 1.00 0.00 C ATOM 232 C LEU A 17 -14.668 -4.656 -1.814 1.00 0.00 C ATOM 233 O LEU A 17 -13.776 -4.002 -1.269 1.00 0.00 O ATOM 234 CB LEU A 17 -14.167 -5.651 -4.054 1.00 0.00 C ATOM 235 CG LEU A 17 -13.399 -6.701 -4.868 1.00 0.00 C ATOM 236 CD1 LEU A 17 -14.193 -7.993 -4.998 1.00 0.00 C ATOM 237 CD2 LEU A 17 -13.054 -6.150 -6.242 1.00 0.00 C ATOM 0 H LEU A 17 -15.740 -7.370 -3.200 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.402 -6.353 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -15.157 -5.531 -4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -13.654 -4.695 -4.156 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.476 -6.931 -4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -13.620 -8.715 -5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.390 -8.401 -4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -15.139 -7.790 -5.501 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.509 -6.904 -6.810 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.971 -5.890 -6.770 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.434 -5.260 -6.132 1.00 0.00 H new ATOM 249 N VAL A 18 -15.951 -4.301 -1.764 1.00 0.00 N ATOM 250 CA VAL A 18 -16.359 -3.055 -1.116 1.00 0.00 C ATOM 251 C VAL A 18 -16.407 -3.249 0.384 1.00 0.00 C ATOM 252 O VAL A 18 -16.230 -2.312 1.161 1.00 0.00 O ATOM 253 CB VAL A 18 -17.739 -2.553 -1.607 1.00 0.00 C ATOM 254 CG1 VAL A 18 -17.808 -2.611 -3.119 1.00 0.00 C ATOM 255 CG2 VAL A 18 -18.889 -3.340 -0.983 1.00 0.00 C ATOM 0 H VAL A 18 -16.716 -4.849 -2.158 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.618 -2.301 -1.382 1.00 0.00 H new ATOM 0 HB VAL A 18 -17.848 -1.517 -1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -18.783 -2.256 -3.453 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -17.027 -1.980 -3.543 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -17.664 -3.639 -3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -19.838 -2.954 -1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -18.796 -4.393 -1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -18.855 -3.235 0.101 1.00 0.00 H new ATOM 265 N THR A 19 -16.651 -4.477 0.784 1.00 0.00 N ATOM 266 CA THR A 19 -16.763 -4.794 2.183 1.00 0.00 C ATOM 267 C THR A 19 -15.398 -5.013 2.804 1.00 0.00 C ATOM 268 O THR A 19 -15.213 -4.755 3.977 1.00 0.00 O ATOM 269 CB THR A 19 -17.643 -6.024 2.411 1.00 0.00 C ATOM 270 OG1 THR A 19 -18.701 -6.033 1.445 1.00 0.00 O ATOM 271 CG2 THR A 19 -18.234 -5.996 3.813 1.00 0.00 C ATOM 0 H THR A 19 -16.775 -5.271 0.156 1.00 0.00 H new ATOM 0 HA THR A 19 -17.236 -3.940 2.668 1.00 0.00 H new ATOM 0 HB THR A 19 -17.036 -6.923 2.303 1.00 0.00 H new ATOM 0 HG1 THR A 19 -19.266 -6.821 1.587 1.00 0.00 H new ATOM 0 HG21 THR A 19 -18.858 -6.877 3.962 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.429 -5.993 4.547 1.00 0.00 H new ATOM 0 HG23 THR A 19 -18.839 -5.098 3.935 1.00 0.00 H new ATOM 279 N ALA A 20 -14.441 -5.455 2.005 1.00 0.00 N ATOM 280 CA ALA A 20 -13.090 -5.698 2.489 1.00 0.00 C ATOM 281 C ALA A 20 -12.442 -4.415 3.007 1.00 0.00 C ATOM 282 O ALA A 20 -11.657 -4.446 3.947 1.00 0.00 O ATOM 283 CB ALA A 20 -12.258 -6.351 1.406 1.00 0.00 C ATOM 0 H ALA A 20 -14.575 -5.654 1.014 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.144 -6.384 3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.249 -6.528 1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.712 -7.300 1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.213 -5.695 0.536 1.00 0.00 H new ATOM 289 N VAL A 21 -12.784 -3.282 2.413 1.00 0.00 N ATOM 290 CA VAL A 21 -12.352 -1.999 2.951 1.00 0.00 C ATOM 291 C VAL A 21 -13.251 -1.576 4.116 1.00 0.00 C ATOM 292 O VAL A 21 -12.776 -1.026 5.110 1.00 0.00 O ATOM 293 CB VAL A 21 -12.312 -0.888 1.873 1.00 0.00 C ATOM 294 CG1 VAL A 21 -13.506 -0.978 0.931 1.00 0.00 C ATOM 295 CG2 VAL A 21 -12.272 0.473 2.542 1.00 0.00 C ATOM 0 H VAL A 21 -13.353 -3.223 1.568 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.333 -2.133 3.313 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.411 -1.027 1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -13.444 -0.183 0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.501 -1.945 0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -14.428 -0.871 1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.244 1.252 1.780 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -13.161 0.601 3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.382 0.545 3.168 1.00 0.00 H new ATOM 305 N LYS A 22 -14.544 -1.862 3.999 1.00 0.00 N ATOM 306 CA LYS A 22 -15.505 -1.529 5.044 1.00 0.00 C ATOM 307 C LYS A 22 -15.172 -2.258 6.339 1.00 0.00 C ATOM 308 O LYS A 22 -15.195 -1.674 7.420 1.00 0.00 O ATOM 309 CB LYS A 22 -16.930 -1.890 4.596 1.00 0.00 C ATOM 310 CG LYS A 22 -17.674 -0.756 3.921 1.00 0.00 C ATOM 311 CD LYS A 22 -19.111 -1.106 3.588 1.00 0.00 C ATOM 312 CE LYS A 22 -19.204 -2.173 2.511 1.00 0.00 C ATOM 313 NZ LYS A 22 -20.612 -2.472 2.141 1.00 0.00 N1+ ATOM 0 H LYS A 22 -14.951 -2.326 3.187 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.448 -0.455 5.224 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.880 -2.736 3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.500 -2.217 5.465 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.660 0.118 4.572 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.151 -0.480 3.005 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -19.617 -1.455 4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -19.634 -0.209 3.256 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.659 -1.843 1.626 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.720 -3.085 2.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.659 -3.403 1.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -21.202 -2.480 2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.961 -1.743 1.487 1.00 0.00 H new ATOM 327 N VAL A 23 -14.839 -3.530 6.209 1.00 0.00 N ATOM 328 CA VAL A 23 -14.529 -4.375 7.353 1.00 0.00 C ATOM 329 C VAL A 23 -13.176 -3.997 7.930 1.00 0.00 C ATOM 330 O VAL A 23 -12.965 -4.021 9.144 1.00 0.00 O ATOM 331 CB VAL A 23 -14.523 -5.870 6.966 1.00 0.00 C ATOM 332 CG1 VAL A 23 -13.496 -6.151 5.882 1.00 0.00 C ATOM 333 CG2 VAL A 23 -14.250 -6.717 8.188 1.00 0.00 C ATOM 0 H VAL A 23 -14.775 -4.007 5.310 1.00 0.00 H new ATOM 0 HA VAL A 23 -15.306 -4.217 8.101 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.505 -6.127 6.568 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.514 -7.211 5.630 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -13.733 -5.563 4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -12.503 -5.881 6.242 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -14.247 -7.770 7.907 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -13.279 -6.450 8.606 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -15.026 -6.542 8.933 1.00 0.00 H new ATOM 343 N ALA A 24 -12.272 -3.626 7.037 1.00 0.00 N ATOM 344 CA ALA A 24 -10.935 -3.213 7.415 1.00 0.00 C ATOM 345 C ALA A 24 -10.950 -1.823 8.016 1.00 0.00 C ATOM 346 O ALA A 24 -9.933 -1.348 8.494 1.00 0.00 O ATOM 347 CB ALA A 24 -10.024 -3.221 6.217 1.00 0.00 C ATOM 0 H ALA A 24 -12.447 -3.604 6.032 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.567 -3.920 8.158 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.024 -2.908 6.518 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.980 -4.227 5.800 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.408 -2.533 5.464 1.00 0.00 H new ATOM 353 N ASN A 25 -12.116 -1.184 7.938 1.00 0.00 N ATOM 354 CA ASN A 25 -12.369 0.152 8.465 1.00 0.00 C ATOM 355 C ASN A 25 -11.674 1.251 7.654 1.00 0.00 C ATOM 356 O ASN A 25 -11.690 2.423 8.037 1.00 0.00 O ATOM 357 CB ASN A 25 -12.046 0.217 9.971 1.00 0.00 C ATOM 358 CG ASN A 25 -10.612 0.602 10.352 1.00 0.00 C ATOM 359 OD1 ASN A 25 -9.858 -0.226 10.866 1.00 0.00 O ATOM 360 ND2 ASN A 25 -10.226 1.847 10.128 1.00 0.00 N ATOM 0 H ASN A 25 -12.935 -1.597 7.492 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.435 0.352 8.355 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -12.725 0.933 10.434 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -12.264 -0.757 10.408 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.283 2.142 10.382 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.871 2.512 9.701 1.00 0.00 H new ATOM 367 N LEU A 26 -11.136 0.898 6.492 1.00 0.00 N ATOM 368 CA LEU A 26 -10.441 1.877 5.658 1.00 0.00 C ATOM 369 C LEU A 26 -11.391 2.631 4.753 1.00 0.00 C ATOM 370 O LEU A 26 -10.956 3.375 3.875 1.00 0.00 O ATOM 371 CB LEU A 26 -9.333 1.239 4.828 1.00 0.00 C ATOM 372 CG LEU A 26 -8.006 1.091 5.557 1.00 0.00 C ATOM 373 CD1 LEU A 26 -8.101 0.024 6.623 1.00 0.00 C ATOM 374 CD2 LEU A 26 -6.889 0.790 4.578 1.00 0.00 C ATOM 0 H LEU A 26 -11.165 -0.046 6.108 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.987 2.589 6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.664 0.254 4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.176 1.839 3.932 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.774 2.036 6.048 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.142 -0.067 7.133 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.871 0.298 7.344 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.358 -0.929 6.162 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.948 0.688 5.119 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.107 -0.139 4.051 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.807 1.604 3.858 1.00 0.00 H new ATOM 386 N VAL A 27 -12.683 2.447 4.969 1.00 0.00 N ATOM 387 CA VAL A 27 -13.686 3.187 4.221 1.00 0.00 C ATOM 388 C VAL A 27 -13.481 4.682 4.417 1.00 0.00 C ATOM 389 O VAL A 27 -13.662 5.467 3.500 1.00 0.00 O ATOM 390 CB VAL A 27 -15.114 2.771 4.638 1.00 0.00 C ATOM 391 CG1 VAL A 27 -15.960 3.963 5.072 1.00 0.00 C ATOM 392 CG2 VAL A 27 -15.790 2.018 3.502 1.00 0.00 C ATOM 0 H VAL A 27 -13.061 1.793 5.654 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.570 2.951 3.163 1.00 0.00 H new ATOM 0 HB VAL A 27 -15.026 2.114 5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -16.955 3.619 5.355 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -15.489 4.453 5.924 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -16.042 4.671 4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -16.796 1.729 3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -15.846 2.660 2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -15.212 1.125 3.263 1.00 0.00 H new ATOM 402 N GLU A 28 -13.086 5.055 5.619 1.00 0.00 N ATOM 403 CA GLU A 28 -12.783 6.446 5.935 1.00 0.00 C ATOM 404 C GLU A 28 -11.339 6.806 5.574 1.00 0.00 C ATOM 405 O GLU A 28 -11.011 7.977 5.386 1.00 0.00 O ATOM 406 CB GLU A 28 -13.030 6.700 7.416 1.00 0.00 C ATOM 407 CG GLU A 28 -12.601 5.539 8.297 1.00 0.00 C ATOM 408 CD GLU A 28 -12.658 5.858 9.774 1.00 0.00 C ATOM 409 OE1 GLU A 28 -13.757 5.791 10.360 1.00 0.00 O ATOM 410 OE2 GLU A 28 -11.597 6.170 10.357 1.00 0.00 O1- ATOM 0 H GLU A 28 -12.965 4.412 6.401 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.440 7.079 5.339 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.492 7.598 7.720 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.091 6.896 7.573 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.241 4.681 8.093 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.584 5.248 8.034 1.00 0.00 H new ATOM 417 N ALA A 29 -10.484 5.798 5.466 1.00 0.00 N ATOM 418 CA ALA A 29 -9.072 6.019 5.210 1.00 0.00 C ATOM 419 C ALA A 29 -8.803 6.315 3.734 1.00 0.00 C ATOM 420 O ALA A 29 -8.164 7.313 3.399 1.00 0.00 O ATOM 421 CB ALA A 29 -8.261 4.819 5.675 1.00 0.00 C ATOM 0 H ALA A 29 -10.748 4.816 5.553 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.763 6.897 5.777 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.204 4.996 5.478 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.411 4.671 6.744 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.586 3.929 5.136 1.00 0.00 H new ATOM 427 N LEU A 30 -9.298 5.438 2.857 1.00 0.00 N ATOM 428 CA LEU A 30 -9.127 5.589 1.403 1.00 0.00 C ATOM 429 C LEU A 30 -9.689 6.918 0.888 1.00 0.00 C ATOM 430 O LEU A 30 -9.402 7.331 -0.234 1.00 0.00 O ATOM 431 CB LEU A 30 -9.824 4.458 0.655 1.00 0.00 C ATOM 432 CG LEU A 30 -9.513 3.044 1.135 1.00 0.00 C ATOM 433 CD1 LEU A 30 -10.145 2.035 0.200 1.00 0.00 C ATOM 434 CD2 LEU A 30 -8.020 2.808 1.240 1.00 0.00 C ATOM 0 H LEU A 30 -9.825 4.608 3.128 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.053 5.563 1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.901 4.614 0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.557 4.529 -0.400 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.934 2.923 2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.920 1.027 0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.225 2.181 0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.746 2.170 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.836 1.790 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.560 2.949 0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.589 3.515 1.949 1.00 0.00 H new ATOM 446 N GLN A 31 -10.500 7.568 1.713 1.00 0.00 N ATOM 447 CA GLN A 31 -11.162 8.823 1.346 1.00 0.00 C ATOM 448 C GLN A 31 -10.168 9.960 1.137 1.00 0.00 C ATOM 449 O GLN A 31 -10.532 11.008 0.607 1.00 0.00 O ATOM 450 CB GLN A 31 -12.146 9.228 2.435 1.00 0.00 C ATOM 451 CG GLN A 31 -13.156 8.158 2.748 1.00 0.00 C ATOM 452 CD GLN A 31 -14.367 8.180 1.854 1.00 0.00 C ATOM 453 OE1 GLN A 31 -14.846 7.002 1.515 1.00 0.00 O flip ATOM 454 NE2 GLN A 31 -14.830 9.233 1.423 1.00 0.00 N flip ATOM 0 H GLN A 31 -10.720 7.244 2.655 1.00 0.00 H new ATOM 0 HA GLN A 31 -11.682 8.646 0.404 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.594 9.474 3.342 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.669 10.133 2.125 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.675 7.183 2.667 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.479 8.269 3.783 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.427 10.124 1.713 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.618 9.216 0.775 1.00 0.00 H new ATOM 463 N SER A 32 -8.928 9.748 1.567 1.00 0.00 N ATOM 464 CA SER A 32 -7.886 10.764 1.476 1.00 0.00 C ATOM 465 C SER A 32 -7.698 11.256 0.038 1.00 0.00 C ATOM 466 O SER A 32 -7.270 10.503 -0.834 1.00 0.00 O ATOM 467 CB SER A 32 -6.569 10.212 2.018 1.00 0.00 C ATOM 468 OG SER A 32 -6.670 9.900 3.401 1.00 0.00 O ATOM 0 H SER A 32 -8.619 8.871 1.986 1.00 0.00 H new ATOM 0 HA SER A 32 -8.199 11.616 2.079 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.290 9.318 1.461 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.775 10.943 1.865 1.00 0.00 H new ATOM 0 HG SER A 32 -7.154 9.055 3.511 1.00 0.00 H new ATOM 474 N PRO A 33 -8.039 12.528 -0.221 1.00 0.00 N ATOM 475 CA PRO A 33 -7.892 13.140 -1.543 1.00 0.00 C ATOM 476 C PRO A 33 -6.469 13.606 -1.830 1.00 0.00 C ATOM 477 O PRO A 33 -6.155 14.027 -2.945 1.00 0.00 O ATOM 478 CB PRO A 33 -8.816 14.347 -1.479 1.00 0.00 C ATOM 479 CG PRO A 33 -8.925 14.703 -0.034 1.00 0.00 C ATOM 480 CD PRO A 33 -8.618 13.461 0.761 1.00 0.00 C ATOM 0 HA PRO A 33 -8.128 12.428 -2.334 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.413 15.179 -2.057 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.794 14.112 -1.898 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.228 15.502 0.218 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.926 15.069 0.197 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -7.918 13.670 1.570 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.518 13.049 1.217 1.00 0.00 H new ATOM 488 N GLY A 34 -5.637 13.574 -0.805 1.00 0.00 N ATOM 489 CA GLY A 34 -4.258 14.020 -0.926 1.00 0.00 C ATOM 490 C GLY A 34 -3.394 13.116 -1.794 1.00 0.00 C ATOM 491 O GLY A 34 -3.865 12.552 -2.786 1.00 0.00 O ATOM 0 H GLY A 34 -5.892 13.242 0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.247 15.027 -1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.817 14.082 0.069 1.00 0.00 H new ATOM 495 N PRO A 35 -2.110 12.962 -1.446 1.00 0.00 N ATOM 496 CA PRO A 35 -1.165 12.188 -2.240 1.00 0.00 C ATOM 497 C PRO A 35 -1.316 10.687 -2.038 1.00 0.00 C ATOM 498 O PRO A 35 -1.990 10.243 -1.111 1.00 0.00 O ATOM 499 CB PRO A 35 0.207 12.639 -1.740 1.00 0.00 C ATOM 500 CG PRO A 35 -0.026 13.559 -0.584 1.00 0.00 C ATOM 501 CD PRO A 35 -1.484 13.514 -0.242 1.00 0.00 C ATOM 0 HA PRO A 35 -1.324 12.357 -3.305 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.807 11.781 -1.435 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.757 13.147 -2.532 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.576 13.255 0.272 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.274 14.575 -0.839 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -1.671 12.886 0.629 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.871 14.506 -0.009 1.00 0.00 H new ATOM 509 N PHE A 36 -0.653 9.909 -2.886 1.00 0.00 N ATOM 510 CA PHE A 36 -0.752 8.460 -2.817 1.00 0.00 C ATOM 511 C PHE A 36 0.599 7.802 -3.052 1.00 0.00 C ATOM 512 O PHE A 36 1.214 7.980 -4.100 1.00 0.00 O ATOM 513 CB PHE A 36 -1.763 7.944 -3.843 1.00 0.00 C ATOM 514 CG PHE A 36 -3.196 8.104 -3.413 1.00 0.00 C ATOM 515 CD1 PHE A 36 -3.677 7.417 -2.310 1.00 0.00 C ATOM 516 CD2 PHE A 36 -4.059 8.936 -4.105 1.00 0.00 C ATOM 517 CE1 PHE A 36 -4.989 7.557 -1.906 1.00 0.00 C ATOM 518 CE2 PHE A 36 -5.374 9.079 -3.706 1.00 0.00 C ATOM 519 CZ PHE A 36 -5.839 8.388 -2.605 1.00 0.00 C ATOM 0 H PHE A 36 -0.044 10.258 -3.626 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.092 8.200 -1.815 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.614 8.473 -4.784 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.566 6.889 -4.035 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.017 6.764 -1.759 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.700 9.480 -4.967 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.350 7.016 -1.043 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.038 9.731 -4.255 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.867 8.498 -2.292 1.00 0.00 H new ATOM 529 N THR A 37 1.043 7.031 -2.078 1.00 0.00 N ATOM 530 CA THR A 37 2.292 6.306 -2.173 1.00 0.00 C ATOM 531 C THR A 37 2.025 4.809 -2.336 1.00 0.00 C ATOM 532 O THR A 37 1.457 4.162 -1.453 1.00 0.00 O ATOM 533 CB THR A 37 3.162 6.570 -0.927 1.00 0.00 C ATOM 534 OG1 THR A 37 3.535 7.954 -0.890 1.00 0.00 O ATOM 535 CG2 THR A 37 4.412 5.703 -0.930 1.00 0.00 C ATOM 0 H THR A 37 0.546 6.891 -1.198 1.00 0.00 H new ATOM 0 HA THR A 37 2.834 6.657 -3.051 1.00 0.00 H new ATOM 0 HB THR A 37 2.578 6.317 -0.042 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.947 8.435 -0.271 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.003 5.914 -0.039 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.125 4.651 -0.935 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.005 5.922 -1.818 1.00 0.00 H new ATOM 543 N VAL A 38 2.418 4.273 -3.481 1.00 0.00 N ATOM 544 CA VAL A 38 2.166 2.880 -3.808 1.00 0.00 C ATOM 545 C VAL A 38 3.458 2.078 -3.785 1.00 0.00 C ATOM 546 O VAL A 38 4.424 2.416 -4.470 1.00 0.00 O ATOM 547 CB VAL A 38 1.530 2.729 -5.209 1.00 0.00 C ATOM 548 CG1 VAL A 38 1.198 1.273 -5.498 1.00 0.00 C ATOM 549 CG2 VAL A 38 0.288 3.596 -5.342 1.00 0.00 C ATOM 0 H VAL A 38 2.918 4.789 -4.205 1.00 0.00 H new ATOM 0 HA VAL A 38 1.474 2.503 -3.055 1.00 0.00 H new ATOM 0 HB VAL A 38 2.260 3.068 -5.945 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.752 1.191 -6.489 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.110 0.677 -5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.494 0.905 -4.752 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.139 3.470 -6.337 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.445 3.299 -4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.556 4.642 -5.192 1.00 0.00 H new ATOM 559 N PHE A 39 3.483 1.022 -2.991 1.00 0.00 N ATOM 560 CA PHE A 39 4.587 0.084 -3.041 1.00 0.00 C ATOM 561 C PHE A 39 4.308 -0.904 -4.167 1.00 0.00 C ATOM 562 O PHE A 39 3.390 -1.719 -4.074 1.00 0.00 O ATOM 563 CB PHE A 39 4.746 -0.668 -1.712 1.00 0.00 C ATOM 564 CG PHE A 39 4.773 0.228 -0.506 1.00 0.00 C ATOM 565 CD1 PHE A 39 5.967 0.765 -0.066 1.00 0.00 C ATOM 566 CD2 PHE A 39 3.611 0.527 0.186 1.00 0.00 C ATOM 567 CE1 PHE A 39 6.008 1.588 1.043 1.00 0.00 C ATOM 568 CE2 PHE A 39 3.643 1.349 1.297 1.00 0.00 C ATOM 569 CZ PHE A 39 4.843 1.881 1.726 1.00 0.00 C ATOM 0 H PHE A 39 2.758 0.795 -2.310 1.00 0.00 H new ATOM 0 HA PHE A 39 5.516 0.626 -3.219 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.926 -1.378 -1.607 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.668 -1.249 -1.742 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.881 0.539 -0.596 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.670 0.114 -0.146 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.949 2.002 1.375 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.731 1.575 1.829 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.871 2.524 2.593 1.00 0.00 H new ATOM 579 N ALA A 40 5.083 -0.817 -5.227 1.00 0.00 N ATOM 580 CA ALA A 40 4.819 -1.601 -6.431 1.00 0.00 C ATOM 581 C ALA A 40 5.649 -2.878 -6.461 1.00 0.00 C ATOM 582 O ALA A 40 6.872 -2.827 -6.401 1.00 0.00 O ATOM 583 CB ALA A 40 5.105 -0.771 -7.671 1.00 0.00 C ATOM 0 H ALA A 40 5.903 -0.213 -5.287 1.00 0.00 H new ATOM 0 HA ALA A 40 3.766 -1.883 -6.418 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.904 -1.366 -8.562 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.466 0.112 -7.673 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.150 -0.462 -7.669 1.00 0.00 H new ATOM 589 N PRO A 41 5.002 -4.045 -6.549 1.00 0.00 N ATOM 590 CA PRO A 41 5.706 -5.318 -6.626 1.00 0.00 C ATOM 591 C PRO A 41 6.289 -5.574 -8.014 1.00 0.00 C ATOM 592 O PRO A 41 5.588 -5.498 -9.027 1.00 0.00 O ATOM 593 CB PRO A 41 4.622 -6.339 -6.297 1.00 0.00 C ATOM 594 CG PRO A 41 3.350 -5.702 -6.740 1.00 0.00 C ATOM 595 CD PRO A 41 3.539 -4.217 -6.571 1.00 0.00 C ATOM 0 HA PRO A 41 6.561 -5.357 -5.952 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.795 -7.281 -6.818 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.601 -6.564 -5.231 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.132 -5.950 -7.779 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.509 -6.057 -6.144 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.084 -3.661 -7.390 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.081 -3.859 -5.649 1.00 0.00 H new ATOM 603 N ASN A 42 7.581 -5.863 -8.051 1.00 0.00 N ATOM 604 CA ASN A 42 8.273 -6.181 -9.292 1.00 0.00 C ATOM 605 C ASN A 42 7.896 -7.599 -9.737 1.00 0.00 C ATOM 606 O ASN A 42 7.144 -8.278 -9.039 1.00 0.00 O ATOM 607 CB ASN A 42 9.792 -6.031 -9.074 1.00 0.00 C ATOM 608 CG ASN A 42 10.526 -7.343 -8.925 1.00 0.00 C ATOM 609 OD1 ASN A 42 11.049 -7.901 -9.886 1.00 0.00 O ATOM 610 ND2 ASN A 42 10.532 -7.857 -7.723 1.00 0.00 N ATOM 0 H ASN A 42 8.178 -5.884 -7.224 1.00 0.00 H new ATOM 0 HA ASN A 42 7.975 -5.495 -10.085 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.217 -5.483 -9.915 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.962 -5.428 -8.182 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.983 -8.756 -7.555 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.085 -7.359 -6.953 1.00 0.00 H new ATOM 617 N ASP A 43 8.409 -8.051 -10.870 1.00 0.00 N ATOM 618 CA ASP A 43 8.027 -9.353 -11.421 1.00 0.00 C ATOM 619 C ASP A 43 8.288 -10.497 -10.439 1.00 0.00 C ATOM 620 O ASP A 43 7.489 -11.430 -10.337 1.00 0.00 O ATOM 621 CB ASP A 43 8.759 -9.619 -12.735 1.00 0.00 C ATOM 622 CG ASP A 43 8.318 -8.682 -13.839 1.00 0.00 C ATOM 623 OD1 ASP A 43 7.203 -8.868 -14.374 1.00 0.00 O ATOM 624 OD2 ASP A 43 9.078 -7.752 -14.179 1.00 0.00 O1- ATOM 0 H ASP A 43 9.091 -7.540 -11.430 1.00 0.00 H new ATOM 0 HA ASP A 43 6.954 -9.314 -11.607 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.832 -9.512 -12.578 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.583 -10.649 -13.044 1.00 0.00 H new ATOM 629 N ASP A 44 9.376 -10.407 -9.681 1.00 0.00 N ATOM 630 CA ASP A 44 9.752 -11.477 -8.764 1.00 0.00 C ATOM 631 C ASP A 44 8.915 -11.369 -7.510 1.00 0.00 C ATOM 632 O ASP A 44 8.734 -12.330 -6.774 1.00 0.00 O ATOM 633 CB ASP A 44 11.236 -11.407 -8.419 1.00 0.00 C ATOM 634 CG ASP A 44 11.709 -12.599 -7.604 1.00 0.00 C ATOM 635 OD1 ASP A 44 11.906 -13.685 -8.189 1.00 0.00 O ATOM 636 OD2 ASP A 44 11.897 -12.455 -6.379 1.00 0.00 O1- ATOM 0 H ASP A 44 10.010 -9.608 -9.683 1.00 0.00 H new ATOM 0 HA ASP A 44 9.570 -12.437 -9.246 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.816 -11.350 -9.340 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.432 -10.491 -7.861 1.00 0.00 H new ATOM 641 N ALA A 45 8.366 -10.185 -7.310 1.00 0.00 N ATOM 642 CA ALA A 45 7.527 -9.910 -6.167 1.00 0.00 C ATOM 643 C ALA A 45 6.125 -10.409 -6.444 1.00 0.00 C ATOM 644 O ALA A 45 5.457 -10.959 -5.579 1.00 0.00 O ATOM 645 CB ALA A 45 7.523 -8.433 -5.873 1.00 0.00 C ATOM 0 H ALA A 45 8.491 -9.390 -7.937 1.00 0.00 H new ATOM 0 HA ALA A 45 7.918 -10.428 -5.291 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.888 -8.236 -5.010 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.539 -8.102 -5.659 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.139 -7.891 -6.737 1.00 0.00 H new ATOM 769 N ILE A 54 0.228 -11.222 1.260 1.00 0.00 N ATOM 770 CA ILE A 54 -0.893 -10.412 1.679 1.00 0.00 C ATOM 771 C ILE A 54 -1.810 -11.183 2.614 1.00 0.00 C ATOM 772 O ILE A 54 -2.504 -10.602 3.446 1.00 0.00 O ATOM 773 CB ILE A 54 -1.656 -9.842 0.465 1.00 0.00 C ATOM 774 CG1 ILE A 54 -1.278 -8.374 0.294 1.00 0.00 C ATOM 775 CG2 ILE A 54 -3.169 -9.996 0.599 1.00 0.00 C ATOM 776 CD1 ILE A 54 0.159 -8.142 -0.097 1.00 0.00 C ATOM 0 HA ILE A 54 -0.502 -9.563 2.240 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.368 -10.412 -0.418 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.924 -7.931 -0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.477 -7.849 1.228 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.657 -9.579 -0.282 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.421 -11.053 0.687 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.511 -9.467 1.488 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.341 -7.072 -0.197 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.816 -8.551 0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.361 -8.635 -1.048 1.00 0.00 H new ATOM 788 N THR A 55 -1.775 -12.493 2.493 1.00 0.00 N ATOM 789 CA THR A 55 -2.514 -13.357 3.393 1.00 0.00 C ATOM 790 C THR A 55 -2.083 -13.148 4.845 1.00 0.00 C ATOM 791 O THR A 55 -2.899 -13.211 5.744 1.00 0.00 O ATOM 792 CB THR A 55 -2.341 -14.830 3.023 1.00 0.00 C ATOM 793 OG1 THR A 55 -2.779 -15.052 1.675 1.00 0.00 O ATOM 794 CG2 THR A 55 -3.129 -15.707 3.985 1.00 0.00 C ATOM 0 H THR A 55 -1.241 -12.986 1.778 1.00 0.00 H new ATOM 0 HA THR A 55 -3.566 -13.088 3.292 1.00 0.00 H new ATOM 0 HB THR A 55 -1.286 -15.092 3.097 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.663 -15.998 1.445 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.999 -16.754 3.712 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.767 -15.549 5.001 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.186 -15.447 3.932 1.00 0.00 H new ATOM 802 N SER A 56 -0.809 -12.880 5.069 1.00 0.00 N ATOM 803 CA SER A 56 -0.313 -12.621 6.411 1.00 0.00 C ATOM 804 C SER A 56 -0.571 -11.165 6.770 1.00 0.00 C ATOM 805 O SER A 56 -0.706 -10.795 7.936 1.00 0.00 O ATOM 806 CB SER A 56 1.183 -12.946 6.491 1.00 0.00 C ATOM 807 OG SER A 56 1.707 -12.689 7.784 1.00 0.00 O ATOM 0 H SER A 56 -0.098 -12.836 4.339 1.00 0.00 H new ATOM 0 HA SER A 56 -0.836 -13.258 7.125 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.342 -13.994 6.235 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.724 -12.352 5.754 1.00 0.00 H new ATOM 0 HG SER A 56 2.662 -12.909 7.800 1.00 0.00 H new ATOM 813 N LEU A 57 -0.671 -10.358 5.735 1.00 0.00 N ATOM 814 CA LEU A 57 -0.933 -8.935 5.874 1.00 0.00 C ATOM 815 C LEU A 57 -2.394 -8.682 6.227 1.00 0.00 C ATOM 816 O LEU A 57 -2.725 -7.662 6.824 1.00 0.00 O ATOM 817 CB LEU A 57 -0.568 -8.209 4.595 1.00 0.00 C ATOM 818 CG LEU A 57 0.892 -7.747 4.481 1.00 0.00 C ATOM 819 CD1 LEU A 57 1.858 -8.895 4.738 1.00 0.00 C ATOM 820 CD2 LEU A 57 1.162 -7.142 3.105 1.00 0.00 C ATOM 0 H LEU A 57 -0.573 -10.669 4.768 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.316 -8.552 6.687 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.789 -8.864 3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.214 -7.336 4.498 1.00 0.00 H new ATOM 0 HG LEU A 57 1.053 -6.984 5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.883 -8.535 4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.697 -9.288 5.742 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.687 -9.685 4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.202 -6.821 3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.968 -7.889 2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.508 -6.283 2.950 1.00 0.00 H new ATOM 832 N VAL A 58 -3.273 -9.611 5.851 1.00 0.00 N ATOM 833 CA VAL A 58 -4.676 -9.496 6.222 1.00 0.00 C ATOM 834 C VAL A 58 -4.857 -9.924 7.671 1.00 0.00 C ATOM 835 O VAL A 58 -5.739 -9.430 8.374 1.00 0.00 O ATOM 836 CB VAL A 58 -5.602 -10.340 5.317 1.00 0.00 C ATOM 837 CG1 VAL A 58 -5.396 -11.825 5.562 1.00 0.00 C ATOM 838 CG2 VAL A 58 -7.058 -9.955 5.536 1.00 0.00 C ATOM 0 H VAL A 58 -3.041 -10.437 5.299 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.959 -8.451 6.093 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.343 -10.132 4.279 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.059 -12.396 4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.361 -12.089 5.346 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.620 -12.056 6.603 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.695 -10.559 4.890 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.328 -10.129 6.578 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.195 -8.900 5.297 1.00 0.00 H new ATOM 848 N GLN A 59 -3.998 -10.840 8.111 1.00 0.00 N ATOM 849 CA GLN A 59 -4.014 -11.305 9.483 1.00 0.00 C ATOM 850 C GLN A 59 -3.496 -10.195 10.378 1.00 0.00 C ATOM 851 O GLN A 59 -3.810 -10.102 11.566 1.00 0.00 O ATOM 852 CB GLN A 59 -3.120 -12.526 9.604 1.00 0.00 C ATOM 853 CG GLN A 59 -3.329 -13.508 8.478 1.00 0.00 C ATOM 854 CD GLN A 59 -4.430 -14.511 8.733 1.00 0.00 C ATOM 855 OE1 GLN A 59 -4.732 -14.855 9.876 1.00 0.00 O ATOM 856 NE2 GLN A 59 -5.018 -15.002 7.659 1.00 0.00 N ATOM 0 H GLN A 59 -3.281 -11.273 7.529 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.028 -11.572 9.782 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.077 -12.209 9.617 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.314 -13.022 10.555 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.558 -12.956 7.566 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.397 -14.044 8.300 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -4.733 -14.686 6.732 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.757 -15.698 7.756 1.00 0.00 H new ATOM 865 N ASN A 60 -2.678 -9.374 9.755 1.00 0.00 N ATOM 866 CA ASN A 60 -2.116 -8.183 10.332 1.00 0.00 C ATOM 867 C ASN A 60 -3.179 -7.087 10.443 1.00 0.00 C ATOM 868 O ASN A 60 -4.284 -7.260 9.927 1.00 0.00 O ATOM 869 CB ASN A 60 -0.947 -7.726 9.459 1.00 0.00 C ATOM 870 CG ASN A 60 0.407 -8.091 10.041 1.00 0.00 C ATOM 871 OD1 ASN A 60 1.012 -7.317 10.780 1.00 0.00 O ATOM 872 ND2 ASN A 60 0.892 -9.274 9.706 1.00 0.00 N ATOM 0 H ASN A 60 -2.377 -9.529 8.793 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.757 -8.392 11.340 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.043 -8.173 8.470 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.000 -6.645 9.327 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.799 -9.573 10.064 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.359 -9.888 9.090 1.00 0.00 H new ATOM 879 N PRO A 61 -2.888 -5.999 11.188 1.00 0.00 N ATOM 880 CA PRO A 61 -3.779 -4.826 11.338 1.00 0.00 C ATOM 881 C PRO A 61 -4.525 -4.410 10.047 1.00 0.00 C ATOM 882 O PRO A 61 -4.215 -4.894 8.960 1.00 0.00 O ATOM 883 CB PRO A 61 -2.789 -3.738 11.751 1.00 0.00 C ATOM 884 CG PRO A 61 -1.776 -4.450 12.572 1.00 0.00 C ATOM 885 CD PRO A 61 -1.651 -5.830 11.982 1.00 0.00 C ATOM 0 HA PRO A 61 -4.589 -5.025 12.040 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.334 -3.265 10.881 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.280 -2.950 12.322 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.819 -3.928 12.548 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.086 -4.500 13.616 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.762 -5.917 11.357 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.570 -6.590 12.759 1.00 0.00 H new ATOM 893 N PRO A 62 -5.533 -3.499 10.193 1.00 0.00 N ATOM 894 CA PRO A 62 -6.482 -3.042 9.130 1.00 0.00 C ATOM 895 C PRO A 62 -5.928 -2.826 7.707 1.00 0.00 C ATOM 896 O PRO A 62 -6.706 -2.577 6.786 1.00 0.00 O ATOM 897 CB PRO A 62 -6.984 -1.723 9.683 1.00 0.00 C ATOM 898 CG PRO A 62 -7.021 -1.936 11.151 1.00 0.00 C ATOM 899 CD PRO A 62 -5.845 -2.818 11.473 1.00 0.00 C ATOM 0 HA PRO A 62 -7.219 -3.827 8.960 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.320 -0.901 9.416 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.971 -1.476 9.291 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.955 -0.988 11.684 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.956 -2.407 11.453 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.996 -2.234 11.830 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.089 -3.536 12.256 1.00 0.00 H new ATOM 907 N GLN A 63 -4.611 -2.896 7.542 1.00 0.00 N ATOM 908 CA GLN A 63 -3.920 -2.716 6.255 1.00 0.00 C ATOM 909 C GLN A 63 -4.608 -3.410 5.064 1.00 0.00 C ATOM 910 O GLN A 63 -4.328 -3.071 3.910 1.00 0.00 O ATOM 911 CB GLN A 63 -2.506 -3.254 6.379 1.00 0.00 C ATOM 912 CG GLN A 63 -1.664 -2.955 5.166 1.00 0.00 C ATOM 913 CD GLN A 63 -0.478 -3.853 5.063 1.00 0.00 C ATOM 914 OE1 GLN A 63 -0.669 -4.946 4.368 1.00 0.00 O flip ATOM 915 NE2 GLN A 63 0.598 -3.565 5.575 1.00 0.00 N flip ATOM 0 H GLN A 63 -3.972 -3.084 8.315 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.938 -1.647 6.044 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.033 -2.822 7.261 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.544 -4.332 6.534 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.274 -3.059 4.269 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.329 -1.918 5.206 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.694 -2.700 6.107 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.397 -4.190 5.469 1.00 0.00 H new ATOM 924 N LEU A 64 -5.494 -4.364 5.336 1.00 0.00 N ATOM 925 CA LEU A 64 -6.255 -5.039 4.298 1.00 0.00 C ATOM 926 C LEU A 64 -6.863 -4.040 3.313 1.00 0.00 C ATOM 927 O LEU A 64 -6.677 -4.165 2.104 1.00 0.00 O ATOM 928 CB LEU A 64 -7.369 -5.876 4.926 1.00 0.00 C ATOM 929 CG LEU A 64 -8.450 -6.305 3.943 1.00 0.00 C ATOM 930 CD1 LEU A 64 -7.929 -7.374 2.991 1.00 0.00 C ATOM 931 CD2 LEU A 64 -9.702 -6.778 4.660 1.00 0.00 C ATOM 0 H LEU A 64 -5.702 -4.688 6.281 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.570 -5.687 3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.930 -6.765 5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.830 -5.303 5.731 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.722 -5.430 3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.721 -7.663 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.083 -6.979 2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.610 -8.246 3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.451 -7.076 3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.458 -7.629 5.295 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.097 -5.969 5.274 1.00 0.00 H new ATOM 943 N GLY A 65 -7.564 -3.044 3.849 1.00 0.00 N ATOM 944 CA GLY A 65 -8.235 -2.049 3.018 1.00 0.00 C ATOM 945 C GLY A 65 -7.299 -1.369 2.036 1.00 0.00 C ATOM 946 O GLY A 65 -7.695 -1.007 0.926 1.00 0.00 O ATOM 0 H GLY A 65 -7.682 -2.905 4.853 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.044 -2.529 2.468 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.690 -1.295 3.660 1.00 0.00 H new ATOM 950 N ARG A 66 -6.054 -1.210 2.452 1.00 0.00 N ATOM 951 CA ARG A 66 -5.032 -0.602 1.628 1.00 0.00 C ATOM 952 C ARG A 66 -4.693 -1.526 0.475 1.00 0.00 C ATOM 953 O ARG A 66 -4.670 -1.119 -0.686 1.00 0.00 O ATOM 954 CB ARG A 66 -3.804 -0.307 2.496 1.00 0.00 C ATOM 955 CG ARG A 66 -2.476 -0.385 1.767 1.00 0.00 C ATOM 956 CD ARG A 66 -1.762 -1.700 2.041 1.00 0.00 C ATOM 957 NE ARG A 66 -0.499 -1.802 1.304 1.00 0.00 N ATOM 958 CZ ARG A 66 0.709 -1.819 1.873 1.00 0.00 C ATOM 959 NH1 ARG A 66 0.840 -1.633 3.182 1.00 0.00 N1+ ATOM 960 NH2 ARG A 66 1.791 -1.988 1.122 1.00 0.00 N ATOM 0 H ARG A 66 -5.726 -1.501 3.373 1.00 0.00 H new ATOM 0 HA ARG A 66 -5.389 0.338 1.207 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.910 0.690 2.923 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.787 -1.011 3.328 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.642 -0.277 0.695 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.841 0.445 2.076 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.567 -1.791 3.110 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.412 -2.530 1.764 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.546 -1.864 0.287 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.014 -1.476 3.760 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.766 -1.647 3.609 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.698 -2.104 0.113 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.715 -2.001 1.554 1.00 0.00 H new ATOM 974 N ILE A 67 -4.426 -2.768 0.834 1.00 0.00 N ATOM 975 CA ILE A 67 -4.179 -3.843 -0.114 1.00 0.00 C ATOM 976 C ILE A 67 -5.214 -3.878 -1.239 1.00 0.00 C ATOM 977 O ILE A 67 -4.849 -3.887 -2.414 1.00 0.00 O ATOM 978 CB ILE A 67 -4.201 -5.201 0.608 1.00 0.00 C ATOM 979 CG1 ILE A 67 -3.236 -5.180 1.794 1.00 0.00 C ATOM 980 CG2 ILE A 67 -3.857 -6.323 -0.357 1.00 0.00 C ATOM 981 CD1 ILE A 67 -3.307 -6.414 2.663 1.00 0.00 C ATOM 0 H ILE A 67 -4.373 -3.065 1.808 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.199 -3.653 -0.553 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.206 -5.383 0.987 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.218 -5.069 1.420 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.448 -4.304 2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.877 -7.276 0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.585 -6.342 -1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.861 -6.157 -0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.593 -6.324 3.482 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.314 -6.516 3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.065 -7.294 2.066 1.00 0.00 H new ATOM 993 N LEU A 68 -6.495 -3.881 -0.866 1.00 0.00 N ATOM 994 CA LEU A 68 -7.583 -4.090 -1.826 1.00 0.00 C ATOM 995 C LEU A 68 -7.497 -3.173 -3.040 1.00 0.00 C ATOM 996 O LEU A 68 -7.364 -3.643 -4.170 1.00 0.00 O ATOM 997 CB LEU A 68 -8.959 -3.904 -1.178 1.00 0.00 C ATOM 998 CG LEU A 68 -9.487 -5.074 -0.341 1.00 0.00 C ATOM 999 CD1 LEU A 68 -8.696 -6.347 -0.597 1.00 0.00 C ATOM 1000 CD2 LEU A 68 -9.473 -4.714 1.128 1.00 0.00 C ATOM 0 H LEU A 68 -6.806 -3.741 0.095 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.465 -5.121 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.919 -3.020 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.682 -3.696 -1.967 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.516 -5.267 -0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.099 -7.155 0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.771 -6.616 -1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.650 -6.184 -0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.850 -5.553 1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.453 -4.486 1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -10.106 -3.842 1.295 1.00 0.00 H new ATOM 1012 N LYS A 69 -7.569 -1.867 -2.813 1.00 0.00 N ATOM 1013 CA LYS A 69 -7.807 -0.945 -3.914 1.00 0.00 C ATOM 1014 C LYS A 69 -6.535 -0.613 -4.696 1.00 0.00 C ATOM 1015 O LYS A 69 -6.437 -0.934 -5.878 1.00 0.00 O ATOM 1016 CB LYS A 69 -8.458 0.337 -3.382 1.00 0.00 C ATOM 1017 CG LYS A 69 -8.934 1.289 -4.472 1.00 0.00 C ATOM 1018 CD LYS A 69 -9.944 0.630 -5.403 1.00 0.00 C ATOM 1019 CE LYS A 69 -11.218 0.232 -4.674 1.00 0.00 C ATOM 1020 NZ LYS A 69 -12.157 -0.502 -5.561 1.00 0.00 N1+ ATOM 0 H LYS A 69 -7.468 -1.430 -1.897 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.480 -1.441 -4.613 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.307 0.067 -2.753 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.743 0.858 -2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.384 2.169 -4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.078 1.634 -5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.190 1.315 -6.214 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.495 -0.254 -5.857 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.966 -0.392 -3.816 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.708 1.125 -4.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.013 -0.756 -5.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.418 0.102 -6.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.699 -1.367 -5.912 1.00 0.00 H new ATOM 1034 N TYR A 70 -5.557 0.014 -4.053 1.00 0.00 N ATOM 1035 CA TYR A 70 -4.349 0.429 -4.768 1.00 0.00 C ATOM 1036 C TYR A 70 -3.074 -0.122 -4.140 1.00 0.00 C ATOM 1037 O TYR A 70 -1.985 0.109 -4.663 1.00 0.00 O ATOM 1038 CB TYR A 70 -4.244 1.955 -4.842 1.00 0.00 C ATOM 1039 CG TYR A 70 -5.359 2.636 -5.602 1.00 0.00 C ATOM 1040 CD1 TYR A 70 -5.532 2.425 -6.964 1.00 0.00 C ATOM 1041 CD2 TYR A 70 -6.227 3.507 -4.956 1.00 0.00 C ATOM 1042 CE1 TYR A 70 -6.539 3.064 -7.661 1.00 0.00 C ATOM 1043 CE2 TYR A 70 -7.238 4.147 -5.645 1.00 0.00 C ATOM 1044 CZ TYR A 70 -7.390 3.923 -6.996 1.00 0.00 C ATOM 1045 OH TYR A 70 -8.396 4.562 -7.685 1.00 0.00 O ATOM 0 H TYR A 70 -5.571 0.244 -3.059 1.00 0.00 H new ATOM 0 HA TYR A 70 -4.443 0.015 -5.772 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -4.221 2.352 -3.827 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -3.294 2.217 -5.308 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.869 1.751 -7.486 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.109 3.687 -3.898 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.660 2.892 -8.720 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.906 4.820 -5.128 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.905 5.130 -7.069 1.00 0.00 H new ATOM 1055 N HIS A 71 -3.211 -0.840 -3.022 1.00 0.00 N ATOM 1056 CA HIS A 71 -2.058 -1.240 -2.208 1.00 0.00 C ATOM 1057 C HIS A 71 -1.318 0.010 -1.734 1.00 0.00 C ATOM 1058 O HIS A 71 -0.098 -0.002 -1.569 1.00 0.00 O ATOM 1059 CB HIS A 71 -1.092 -2.127 -3.003 1.00 0.00 C ATOM 1060 CG HIS A 71 -1.683 -3.396 -3.540 1.00 0.00 C ATOM 1061 ND1 HIS A 71 -2.155 -3.517 -4.828 1.00 0.00 N ATOM 1062 CD2 HIS A 71 -1.853 -4.608 -2.966 1.00 0.00 C ATOM 1063 CE1 HIS A 71 -2.589 -4.746 -5.023 1.00 0.00 C ATOM 1064 NE2 HIS A 71 -2.415 -5.434 -3.908 1.00 0.00 N ATOM 0 H HIS A 71 -4.110 -1.157 -2.659 1.00 0.00 H new ATOM 0 HA HIS A 71 -2.425 -1.812 -1.356 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.696 -1.548 -3.838 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.247 -2.381 -2.363 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.594 -4.877 -1.953 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -3.015 -5.127 -5.939 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -2.658 -6.415 -3.770 1.00 0.00 H new ATOM 1073 N VAL A 72 -2.076 1.068 -1.477 1.00 0.00 N ATOM 1074 CA VAL A 72 -1.523 2.408 -1.380 1.00 0.00 C ATOM 1075 C VAL A 72 -1.621 2.988 0.029 1.00 0.00 C ATOM 1076 O VAL A 72 -2.454 2.576 0.838 1.00 0.00 O ATOM 1077 CB VAL A 72 -2.268 3.345 -2.358 1.00 0.00 C ATOM 1078 CG1 VAL A 72 -3.696 3.592 -1.890 1.00 0.00 C ATOM 1079 CG2 VAL A 72 -1.531 4.658 -2.539 1.00 0.00 C ATOM 0 H VAL A 72 -3.084 1.020 -1.331 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.466 2.335 -1.635 1.00 0.00 H new ATOM 0 HB VAL A 72 -2.304 2.847 -3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.200 4.254 -2.594 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.231 2.644 -1.837 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.681 4.055 -0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.083 5.292 -3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.444 5.162 -1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.535 4.464 -2.938 1.00 0.00 H new ATOM 1089 N VAL A 73 -0.745 3.938 0.304 1.00 0.00 N ATOM 1090 CA VAL A 73 -0.832 4.768 1.489 1.00 0.00 C ATOM 1091 C VAL A 73 -0.834 6.242 1.091 1.00 0.00 C ATOM 1092 O VAL A 73 0.030 6.689 0.341 1.00 0.00 O ATOM 1093 CB VAL A 73 0.328 4.494 2.479 1.00 0.00 C ATOM 1094 CG1 VAL A 73 1.665 4.388 1.765 1.00 0.00 C ATOM 1095 CG2 VAL A 73 0.399 5.594 3.511 1.00 0.00 C ATOM 0 H VAL A 73 0.052 4.156 -0.294 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.764 4.519 1.996 1.00 0.00 H new ATOM 0 HB VAL A 73 0.124 3.540 2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.452 4.196 2.494 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.629 3.570 1.045 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.874 5.322 1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.217 5.392 4.202 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.571 6.549 3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.540 5.636 4.063 1.00 0.00 H new ATOM 1105 N ALA A 74 -1.828 6.982 1.560 1.00 0.00 N ATOM 1106 CA ALA A 74 -1.888 8.417 1.307 1.00 0.00 C ATOM 1107 C ALA A 74 -0.738 9.124 1.982 1.00 0.00 C ATOM 1108 O ALA A 74 -0.367 8.796 3.112 1.00 0.00 O ATOM 1109 CB ALA A 74 -3.193 8.993 1.799 1.00 0.00 C ATOM 0 H ALA A 74 -2.601 6.616 2.115 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.818 8.569 0.230 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.216 10.064 1.600 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.022 8.510 1.282 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.285 8.821 2.871 1.00 0.00 H new ATOM 1115 N GLY A 75 -0.192 10.105 1.297 1.00 0.00 N ATOM 1116 CA GLY A 75 0.962 10.787 1.809 1.00 0.00 C ATOM 1117 C GLY A 75 2.177 10.505 0.961 1.00 0.00 C ATOM 1118 O GLY A 75 2.802 9.462 1.091 1.00 0.00 O ATOM 0 H GLY A 75 -0.528 10.441 0.395 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.773 11.860 1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.149 10.472 2.835 1.00 0.00 H new ATOM 1122 N ALA A 76 2.464 11.419 0.059 1.00 0.00 N ATOM 1123 CA ALA A 76 3.593 11.315 -0.846 1.00 0.00 C ATOM 1124 C ALA A 76 4.911 11.258 -0.090 1.00 0.00 C ATOM 1125 O ALA A 76 5.358 12.245 0.499 1.00 0.00 O ATOM 1126 CB ALA A 76 3.590 12.490 -1.812 1.00 0.00 C ATOM 0 H ALA A 76 1.913 12.268 -0.070 1.00 0.00 H new ATOM 0 HA ALA A 76 3.493 10.385 -1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.440 12.407 -2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.665 12.485 -2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.663 13.422 -1.251 1.00 0.00 H new ATOM 1132 N TYR A 77 5.509 10.088 -0.098 1.00 0.00 N ATOM 1133 CA TYR A 77 6.828 9.896 0.505 1.00 0.00 C ATOM 1134 C TYR A 77 7.818 9.419 -0.544 1.00 0.00 C ATOM 1135 O TYR A 77 7.526 8.493 -1.294 1.00 0.00 O ATOM 1136 CB TYR A 77 6.813 8.856 1.634 1.00 0.00 C ATOM 1137 CG TYR A 77 5.613 8.887 2.556 1.00 0.00 C ATOM 1138 CD1 TYR A 77 5.364 9.977 3.379 1.00 0.00 C ATOM 1139 CD2 TYR A 77 4.744 7.803 2.616 1.00 0.00 C ATOM 1140 CE1 TYR A 77 4.278 9.988 4.235 1.00 0.00 C ATOM 1141 CE2 TYR A 77 3.658 7.804 3.470 1.00 0.00 C ATOM 1142 CZ TYR A 77 3.428 8.900 4.277 1.00 0.00 C ATOM 1143 OH TYR A 77 2.351 8.909 5.135 1.00 0.00 O ATOM 0 H TYR A 77 5.109 9.247 -0.514 1.00 0.00 H new ATOM 0 HA TYR A 77 7.120 10.862 0.917 1.00 0.00 H new ATOM 0 HB2 TYR A 77 6.876 7.864 1.187 1.00 0.00 H new ATOM 0 HB3 TYR A 77 7.711 8.991 2.236 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.028 10.828 3.350 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.921 6.945 1.984 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.095 10.844 4.868 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.994 6.953 3.506 1.00 0.00 H new ATOM 0 HH TYR A 77 1.852 8.071 5.042 1.00 0.00 H new ATOM 1153 N LYS A 78 8.989 10.035 -0.597 1.00 0.00 N ATOM 1154 CA LYS A 78 10.050 9.524 -1.440 1.00 0.00 C ATOM 1155 C LYS A 78 10.872 8.520 -0.654 1.00 0.00 C ATOM 1156 O LYS A 78 10.762 8.482 0.569 1.00 0.00 O ATOM 1157 CB LYS A 78 10.945 10.630 -1.983 1.00 0.00 C ATOM 1158 CG LYS A 78 10.392 11.205 -3.259 1.00 0.00 C ATOM 1159 CD LYS A 78 9.723 12.530 -3.034 1.00 0.00 C ATOM 1160 CE LYS A 78 8.590 12.673 -4.010 1.00 0.00 C ATOM 1161 NZ LYS A 78 7.838 13.941 -3.835 1.00 0.00 N1+ ATOM 0 H LYS A 78 9.224 10.878 -0.073 1.00 0.00 H new ATOM 0 HA LYS A 78 9.590 9.040 -2.302 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.043 11.420 -1.238 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.945 10.236 -2.163 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.198 11.324 -3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.676 10.506 -3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.351 12.596 -2.012 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.439 13.341 -3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.983 12.626 -5.026 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.907 11.832 -3.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.069 13.988 -4.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.438 13.978 -2.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.480 14.747 -3.973 1.00 0.00 H new ATOM 1175 N ALA A 79 11.700 7.725 -1.320 1.00 0.00 N ATOM 1176 CA ALA A 79 12.475 6.695 -0.626 1.00 0.00 C ATOM 1177 C ALA A 79 13.296 7.301 0.509 1.00 0.00 C ATOM 1178 O ALA A 79 13.528 6.666 1.541 1.00 0.00 O ATOM 1179 CB ALA A 79 13.379 5.962 -1.603 1.00 0.00 C ATOM 0 H ALA A 79 11.854 7.769 -2.327 1.00 0.00 H new ATOM 0 HA ALA A 79 11.776 5.979 -0.194 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.948 5.200 -1.071 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.772 5.489 -2.375 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.066 6.671 -2.065 1.00 0.00 H new ATOM 1185 N THR A 80 13.683 8.554 0.327 1.00 0.00 N ATOM 1186 CA THR A 80 14.498 9.255 1.302 1.00 0.00 C ATOM 1187 C THR A 80 13.674 9.599 2.544 1.00 0.00 C ATOM 1188 O THR A 80 14.211 9.711 3.644 1.00 0.00 O ATOM 1189 CB THR A 80 15.123 10.534 0.695 1.00 0.00 C ATOM 1190 OG1 THR A 80 16.040 11.137 1.620 1.00 0.00 O ATOM 1191 CG2 THR A 80 14.054 11.547 0.307 1.00 0.00 C ATOM 0 H THR A 80 13.442 9.108 -0.495 1.00 0.00 H new ATOM 0 HA THR A 80 15.311 8.591 1.596 1.00 0.00 H new ATOM 0 HB THR A 80 15.661 10.236 -0.205 1.00 0.00 H new ATOM 0 HG1 THR A 80 16.427 11.943 1.219 1.00 0.00 H new ATOM 0 HG21 THR A 80 14.528 12.433 -0.116 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.386 11.106 -0.432 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.482 11.829 1.191 1.00 0.00 H new ATOM 1199 N ASP A 81 12.363 9.728 2.368 1.00 0.00 N ATOM 1200 CA ASP A 81 11.468 10.028 3.473 1.00 0.00 C ATOM 1201 C ASP A 81 11.231 8.771 4.295 1.00 0.00 C ATOM 1202 O ASP A 81 11.335 8.787 5.522 1.00 0.00 O ATOM 1203 CB ASP A 81 10.126 10.571 2.965 1.00 0.00 C ATOM 1204 CG ASP A 81 10.258 11.888 2.227 1.00 0.00 C ATOM 1205 OD1 ASP A 81 10.405 12.934 2.886 1.00 0.00 O ATOM 1206 OD2 ASP A 81 10.196 11.887 0.979 1.00 0.00 O1- ATOM 0 H ASP A 81 11.898 9.628 1.466 1.00 0.00 H new ATOM 0 HA ASP A 81 11.935 10.793 4.093 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.670 9.835 2.303 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.450 10.701 3.810 1.00 0.00 H new ATOM 1211 N LEU A 82 10.908 7.685 3.603 1.00 0.00 N ATOM 1212 CA LEU A 82 10.691 6.395 4.229 1.00 0.00 C ATOM 1213 C LEU A 82 11.898 5.924 5.036 1.00 0.00 C ATOM 1214 O LEU A 82 11.761 5.554 6.201 1.00 0.00 O ATOM 1215 CB LEU A 82 10.328 5.382 3.147 1.00 0.00 C ATOM 1216 CG LEU A 82 8.958 5.613 2.493 1.00 0.00 C ATOM 1217 CD1 LEU A 82 8.093 6.531 3.341 1.00 0.00 C ATOM 1218 CD2 LEU A 82 9.108 6.145 1.081 1.00 0.00 C ATOM 0 H LEU A 82 10.790 7.679 2.590 1.00 0.00 H new ATOM 0 HA LEU A 82 9.872 6.492 4.942 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.095 5.406 2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.345 4.383 3.582 1.00 0.00 H new ATOM 0 HG LEU A 82 8.452 4.649 2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.129 6.676 2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.939 6.082 4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.590 7.494 3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.122 6.299 0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.646 7.093 1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.664 5.427 0.479 1.00 0.00 H new ATOM 1230 N LYS A 83 13.074 5.935 4.426 1.00 0.00 N ATOM 1231 CA LYS A 83 14.284 5.490 5.114 1.00 0.00 C ATOM 1232 C LYS A 83 14.628 6.419 6.271 1.00 0.00 C ATOM 1233 O LYS A 83 15.120 5.971 7.302 1.00 0.00 O ATOM 1234 CB LYS A 83 15.453 5.402 4.143 1.00 0.00 C ATOM 1235 CG LYS A 83 16.711 4.803 4.757 1.00 0.00 C ATOM 1236 CD LYS A 83 17.789 4.507 3.718 1.00 0.00 C ATOM 1237 CE LYS A 83 18.575 5.748 3.306 1.00 0.00 C ATOM 1238 NZ LYS A 83 17.778 6.689 2.476 1.00 0.00 N1+ ATOM 0 H LYS A 83 13.219 6.244 3.465 1.00 0.00 H new ATOM 0 HA LYS A 83 14.092 4.496 5.519 1.00 0.00 H new ATOM 0 HB2 LYS A 83 15.156 4.801 3.284 1.00 0.00 H new ATOM 0 HB3 LYS A 83 15.681 6.401 3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 83 17.110 5.491 5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 83 16.453 3.882 5.279 1.00 0.00 H new ATOM 0 HD2 LYS A 83 18.478 3.763 4.119 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.324 4.068 2.835 1.00 0.00 H new ATOM 0 HE2 LYS A 83 18.922 6.265 4.200 1.00 0.00 H new ATOM 0 HE3 LYS A 83 19.461 5.442 2.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 18.385 7.101 1.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 16.990 6.177 2.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 17.401 7.449 3.078 1.00 0.00 H new ATOM 1252 N ARG A 84 14.367 7.712 6.089 1.00 0.00 N ATOM 1253 CA ARG A 84 14.520 8.687 7.154 1.00 0.00 C ATOM 1254 C ARG A 84 13.778 8.232 8.395 1.00 0.00 C ATOM 1255 O ARG A 84 14.279 8.313 9.513 1.00 0.00 O ATOM 1256 CB ARG A 84 13.954 10.010 6.704 1.00 0.00 C ATOM 1257 CG ARG A 84 14.877 11.166 6.995 1.00 0.00 C ATOM 1258 CD ARG A 84 14.713 12.247 5.961 1.00 0.00 C ATOM 1259 NE ARG A 84 15.491 13.445 6.275 1.00 0.00 N ATOM 1260 CZ ARG A 84 15.134 14.679 5.915 1.00 0.00 C ATOM 1261 NH1 ARG A 84 13.999 14.885 5.253 1.00 0.00 N1+ ATOM 1262 NH2 ARG A 84 15.908 15.711 6.229 1.00 0.00 N ATOM 0 H ARG A 84 14.046 8.106 5.204 1.00 0.00 H new ATOM 0 HA ARG A 84 15.580 8.790 7.387 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.755 9.970 5.633 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.998 10.179 7.200 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.665 11.568 7.986 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.910 10.820 7.006 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.019 11.864 4.988 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.659 12.513 5.882 1.00 0.00 H new ATOM 0 HE ARG A 84 16.358 13.330 6.800 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.396 14.097 5.018 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.732 15.831 4.981 1.00 0.00 H new ATOM 0 HH21 ARG A 84 16.775 15.560 6.745 1.00 0.00 H new ATOM 0 HH22 ARG A 84 15.636 16.655 5.954 1.00 0.00 H new ATOM 1276 N MET A 85 12.570 7.756 8.164 1.00 0.00 N ATOM 1277 CA MET A 85 11.720 7.244 9.230 1.00 0.00 C ATOM 1278 C MET A 85 12.213 5.892 9.728 1.00 0.00 C ATOM 1279 O MET A 85 12.181 5.605 10.924 1.00 0.00 O ATOM 1280 CB MET A 85 10.283 7.092 8.737 1.00 0.00 C ATOM 1281 CG MET A 85 9.634 8.389 8.311 1.00 0.00 C ATOM 1282 SD MET A 85 8.045 8.135 7.492 1.00 0.00 S ATOM 1283 CE MET A 85 7.144 7.243 8.756 1.00 0.00 C ATOM 0 H MET A 85 12.148 7.712 7.236 1.00 0.00 H new ATOM 0 HA MET A 85 11.758 7.961 10.050 1.00 0.00 H new ATOM 0 HB2 MET A 85 10.271 6.399 7.896 1.00 0.00 H new ATOM 0 HB3 MET A 85 9.685 6.642 9.529 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.490 9.023 9.186 1.00 0.00 H new ATOM 0 HG3 MET A 85 10.305 8.922 7.637 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.119 7.610 8.799 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.139 6.179 8.517 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.625 7.396 9.722 1.00 0.00 H new ATOM 1293 N GLY A 86 12.666 5.064 8.794 1.00 0.00 N ATOM 1294 CA GLY A 86 13.072 3.710 9.131 1.00 0.00 C ATOM 1295 C GLY A 86 11.877 2.784 9.243 1.00 0.00 C ATOM 1296 O GLY A 86 11.997 1.632 9.655 1.00 0.00 O ATOM 0 H GLY A 86 12.760 5.305 7.807 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.755 3.334 8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.618 3.717 10.074 1.00 0.00 H new ATOM 1300 N ILE A 87 10.723 3.310 8.880 1.00 0.00 N ATOM 1301 CA ILE A 87 9.470 2.604 8.929 1.00 0.00 C ATOM 1302 C ILE A 87 8.484 3.366 8.065 1.00 0.00 C ATOM 1303 O ILE A 87 8.693 4.539 7.759 1.00 0.00 O ATOM 1304 CB ILE A 87 8.945 2.487 10.378 1.00 0.00 C ATOM 1305 CG1 ILE A 87 8.073 1.243 10.555 1.00 0.00 C ATOM 1306 CG2 ILE A 87 8.140 3.717 10.729 1.00 0.00 C ATOM 1307 CD1 ILE A 87 7.869 0.844 11.996 1.00 0.00 C ATOM 0 H ILE A 87 10.635 4.266 8.535 1.00 0.00 H new ATOM 0 HA ILE A 87 9.602 1.587 8.559 1.00 0.00 H new ATOM 0 HB ILE A 87 9.805 2.401 11.042 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.101 1.424 10.096 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.529 0.411 10.018 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.771 3.631 11.751 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.771 4.601 10.644 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.296 3.807 10.045 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.241 -0.046 12.042 1.00 0.00 H new ATOM 0 HD12 ILE A 87 8.835 0.631 12.455 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.384 1.659 12.534 1.00 0.00 H new ATOM 1319 N VAL A 88 7.444 2.698 7.654 1.00 0.00 N ATOM 1320 CA VAL A 88 6.413 3.309 6.849 1.00 0.00 C ATOM 1321 C VAL A 88 5.050 3.016 7.436 1.00 0.00 C ATOM 1322 O VAL A 88 4.798 1.911 7.892 1.00 0.00 O ATOM 1323 CB VAL A 88 6.492 2.793 5.408 1.00 0.00 C ATOM 1324 CG1 VAL A 88 7.691 3.403 4.724 1.00 0.00 C ATOM 1325 CG2 VAL A 88 6.605 1.278 5.388 1.00 0.00 C ATOM 0 H VAL A 88 7.282 1.713 7.865 1.00 0.00 H new ATOM 0 HA VAL A 88 6.566 4.388 6.843 1.00 0.00 H new ATOM 0 HB VAL A 88 5.582 3.078 4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.750 3.038 3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.593 4.489 4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.597 3.124 5.261 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.660 0.931 4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.505 0.973 5.922 1.00 0.00 H new ATOM 0 HG23 VAL A 88 5.731 0.842 5.872 1.00 0.00 H new ATOM 1335 N THR A 89 4.186 4.009 7.459 1.00 0.00 N ATOM 1336 CA THR A 89 2.861 3.821 8.002 1.00 0.00 C ATOM 1337 C THR A 89 1.813 3.962 6.913 1.00 0.00 C ATOM 1338 O THR A 89 1.850 4.894 6.114 1.00 0.00 O ATOM 1339 CB THR A 89 2.557 4.805 9.139 1.00 0.00 C ATOM 1340 OG1 THR A 89 3.724 4.982 9.957 1.00 0.00 O ATOM 1341 CG2 THR A 89 1.415 4.264 9.984 1.00 0.00 C ATOM 0 H THR A 89 4.377 4.948 7.110 1.00 0.00 H new ATOM 0 HA THR A 89 2.827 2.812 8.413 1.00 0.00 H new ATOM 0 HB THR A 89 2.271 5.768 8.716 1.00 0.00 H new ATOM 0 HG1 THR A 89 3.524 5.613 10.680 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.198 4.962 10.792 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.528 4.142 9.362 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.699 3.299 10.404 1.00 0.00 H new ATOM 1349 N SER A 90 0.893 3.020 6.897 1.00 0.00 N ATOM 1350 CA SER A 90 -0.109 2.919 5.864 1.00 0.00 C ATOM 1351 C SER A 90 -1.333 3.797 6.147 1.00 0.00 C ATOM 1352 O SER A 90 -1.391 4.470 7.176 1.00 0.00 O ATOM 1353 CB SER A 90 -0.496 1.455 5.726 1.00 0.00 C ATOM 1354 OG SER A 90 0.567 0.693 5.177 1.00 0.00 O ATOM 0 H SER A 90 0.822 2.295 7.611 1.00 0.00 H new ATOM 0 HA SER A 90 0.306 3.289 4.927 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.768 1.054 6.703 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.376 1.367 5.089 1.00 0.00 H new ATOM 0 HG SER A 90 0.490 0.681 4.200 1.00 0.00 H new ATOM 1360 N LEU A 91 -2.298 3.795 5.226 1.00 0.00 N ATOM 1361 CA LEU A 91 -3.466 4.670 5.310 1.00 0.00 C ATOM 1362 C LEU A 91 -4.227 4.493 6.626 1.00 0.00 C ATOM 1363 O LEU A 91 -4.689 5.465 7.225 1.00 0.00 O ATOM 1364 CB LEU A 91 -4.395 4.395 4.125 1.00 0.00 C ATOM 1365 CG LEU A 91 -5.181 5.598 3.630 1.00 0.00 C ATOM 1366 CD1 LEU A 91 -4.428 6.874 3.890 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -5.449 5.460 2.156 1.00 0.00 C ATOM 0 H LEU A 91 -2.291 3.190 4.405 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.114 5.701 5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.800 4.005 3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.099 3.612 4.409 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.126 5.637 4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.011 7.721 3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.257 6.984 4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.470 6.843 3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.013 6.325 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.503 5.402 1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.026 4.553 1.974 1.00 0.00 H new ATOM 1379 N GLU A 92 -4.335 3.252 7.076 1.00 0.00 N ATOM 1380 CA GLU A 92 -5.052 2.946 8.313 1.00 0.00 C ATOM 1381 C GLU A 92 -4.135 3.133 9.521 1.00 0.00 C ATOM 1382 O GLU A 92 -4.599 3.229 10.661 1.00 0.00 O ATOM 1383 CB GLU A 92 -5.645 1.517 8.287 1.00 0.00 C ATOM 1384 CG GLU A 92 -4.742 0.464 7.650 1.00 0.00 C ATOM 1385 CD GLU A 92 -3.389 0.508 8.190 1.00 0.00 C ATOM 1386 OE1 GLU A 92 -3.204 0.024 9.319 1.00 0.00 O ATOM 1387 OE2 GLU A 92 -2.515 1.055 7.507 1.00 0.00 O1- ATOM 0 H GLU A 92 -3.937 2.439 6.606 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.885 3.643 8.398 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.870 1.213 9.309 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.591 1.540 7.746 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -5.167 -0.526 7.816 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.708 0.620 6.572 1.00 0.00 H new ATOM 1394 N GLY A 93 -2.834 3.184 9.257 1.00 0.00 N ATOM 1395 CA GLY A 93 -1.861 3.333 10.316 1.00 0.00 C ATOM 1396 C GLY A 93 -0.980 2.105 10.495 1.00 0.00 C ATOM 1397 O GLY A 93 -0.415 1.901 11.570 1.00 0.00 O ATOM 0 H GLY A 93 -2.436 3.124 8.320 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.231 4.197 10.103 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.380 3.540 11.252 1.00 0.00 H new ATOM 1401 N SER A 94 -0.858 1.274 9.461 1.00 0.00 N ATOM 1402 CA SER A 94 -0.084 0.072 9.559 1.00 0.00 C ATOM 1403 C SER A 94 1.388 0.352 9.234 1.00 0.00 C ATOM 1404 O SER A 94 1.721 0.841 8.154 1.00 0.00 O ATOM 1405 CB SER A 94 -0.703 -1.006 8.646 1.00 0.00 C ATOM 1406 OG SER A 94 -0.214 -0.935 7.325 1.00 0.00 O ATOM 0 H SER A 94 -1.292 1.426 8.551 1.00 0.00 H new ATOM 0 HA SER A 94 -0.106 -0.306 10.581 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.490 -1.993 9.057 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.787 -0.892 8.636 1.00 0.00 H new ATOM 0 HG SER A 94 0.497 -0.263 7.275 1.00 0.00 H new ATOM 1412 N THR A 95 2.258 0.072 10.192 1.00 0.00 N ATOM 1413 CA THR A 95 3.683 0.326 10.039 1.00 0.00 C ATOM 1414 C THR A 95 4.466 -0.877 9.513 1.00 0.00 C ATOM 1415 O THR A 95 4.257 -2.016 9.930 1.00 0.00 O ATOM 1416 CB THR A 95 4.298 0.769 11.373 1.00 0.00 C ATOM 1417 OG1 THR A 95 3.414 0.438 12.454 1.00 0.00 O ATOM 1418 CG2 THR A 95 4.582 2.261 11.364 1.00 0.00 C ATOM 0 H THR A 95 2.000 -0.335 11.091 1.00 0.00 H new ATOM 0 HA THR A 95 3.761 1.119 9.296 1.00 0.00 H new ATOM 0 HB THR A 95 5.242 0.242 11.512 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.814 0.722 13.302 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.018 2.554 12.319 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.280 2.494 10.560 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.652 2.807 11.206 1.00 0.00 H new ATOM 1426 N ILE A 96 5.387 -0.586 8.601 1.00 0.00 N ATOM 1427 CA ILE A 96 6.301 -1.575 8.047 1.00 0.00 C ATOM 1428 C ILE A 96 7.727 -1.019 8.115 1.00 0.00 C ATOM 1429 O ILE A 96 7.977 0.084 7.650 1.00 0.00 O ATOM 1430 CB ILE A 96 5.951 -1.944 6.576 1.00 0.00 C ATOM 1431 CG1 ILE A 96 4.632 -2.722 6.484 1.00 0.00 C ATOM 1432 CG2 ILE A 96 7.065 -2.751 5.940 1.00 0.00 C ATOM 1433 CD1 ILE A 96 3.398 -1.842 6.430 1.00 0.00 C ATOM 0 H ILE A 96 5.520 0.352 8.223 1.00 0.00 H new ATOM 0 HA ILE A 96 6.212 -2.487 8.637 1.00 0.00 H new ATOM 0 HB ILE A 96 5.834 -1.007 6.032 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.655 -3.352 5.595 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.554 -3.387 7.344 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.796 -2.996 4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.985 -2.167 5.945 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.216 -3.671 6.505 1.00 0.00 H new ATOM 0 HD11 ILE A 96 2.508 -2.467 6.366 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.348 -1.230 7.331 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.451 -1.195 5.554 1.00 0.00 H new ATOM 1445 N PRO A 97 8.678 -1.745 8.718 1.00 0.00 N ATOM 1446 CA PRO A 97 10.039 -1.234 8.925 1.00 0.00 C ATOM 1447 C PRO A 97 10.827 -1.077 7.634 1.00 0.00 C ATOM 1448 O PRO A 97 10.843 -1.962 6.774 1.00 0.00 O ATOM 1449 CB PRO A 97 10.707 -2.282 9.821 1.00 0.00 C ATOM 1450 CG PRO A 97 9.626 -3.225 10.242 1.00 0.00 C ATOM 1451 CD PRO A 97 8.519 -3.108 9.235 1.00 0.00 C ATOM 0 HA PRO A 97 10.010 -0.235 9.361 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.495 -2.809 9.282 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.173 -1.813 10.688 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.002 -4.247 10.284 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.266 -2.977 11.240 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.614 -3.852 8.444 1.00 0.00 H new ATOM 0 HD3 PRO A 97 7.541 -3.253 9.693 1.00 0.00 H new ATOM 1459 N ILE A 98 11.472 0.070 7.520 1.00 0.00 N ATOM 1460 CA ILE A 98 12.331 0.374 6.403 1.00 0.00 C ATOM 1461 C ILE A 98 13.795 0.144 6.752 1.00 0.00 C ATOM 1462 O ILE A 98 14.265 0.503 7.830 1.00 0.00 O ATOM 1463 CB ILE A 98 12.133 1.833 5.948 1.00 0.00 C ATOM 1464 CG1 ILE A 98 10.715 2.026 5.426 1.00 0.00 C ATOM 1465 CG2 ILE A 98 13.152 2.218 4.889 1.00 0.00 C ATOM 1466 CD1 ILE A 98 10.393 1.165 4.229 1.00 0.00 C ATOM 0 H ILE A 98 11.410 0.819 8.209 1.00 0.00 H new ATOM 0 HA ILE A 98 12.059 -0.298 5.589 1.00 0.00 H new ATOM 0 HB ILE A 98 12.285 2.487 6.807 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.008 1.803 6.225 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.574 3.073 5.159 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.989 3.252 4.586 1.00 0.00 H new ATOM 0 HG22 ILE A 98 14.158 2.113 5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 98 13.042 1.565 4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 98 9.368 1.354 3.910 1.00 0.00 H new ATOM 0 HD12 ILE A 98 11.076 1.404 3.414 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.502 0.114 4.497 1.00 0.00 H new ATOM 1478 N HIS A 99 14.487 -0.478 5.825 1.00 0.00 N ATOM 1479 CA HIS A 99 15.922 -0.694 5.910 1.00 0.00 C ATOM 1480 C HIS A 99 16.572 -0.030 4.702 1.00 0.00 C ATOM 1481 O HIS A 99 15.868 0.536 3.862 1.00 0.00 O ATOM 1482 CB HIS A 99 16.258 -2.185 5.940 1.00 0.00 C ATOM 1483 CG HIS A 99 15.809 -2.916 7.171 1.00 0.00 C ATOM 1484 ND1 HIS A 99 16.672 -3.615 7.986 1.00 0.00 N ATOM 1485 CD2 HIS A 99 14.575 -3.083 7.708 1.00 0.00 C ATOM 1486 CE1 HIS A 99 15.992 -4.180 8.965 1.00 0.00 C ATOM 1487 NE2 HIS A 99 14.718 -3.873 8.821 1.00 0.00 N ATOM 0 H HIS A 99 14.067 -0.856 4.976 1.00 0.00 H new ATOM 0 HA HIS A 99 16.301 -0.259 6.835 1.00 0.00 H new ATOM 0 HB2 HIS A 99 15.806 -2.661 5.069 1.00 0.00 H new ATOM 0 HB3 HIS A 99 17.337 -2.300 5.842 1.00 0.00 H new ATOM 0 HD2 HIS A 99 13.651 -2.671 7.330 1.00 0.00 H new ATOM 0 HE1 HIS A 99 16.409 -4.791 9.752 1.00 0.00 H new ATOM 0 HE2 HIS A 99 13.962 -4.174 9.436 1.00 0.00 H new ATOM 1496 N GLY A 100 17.890 -0.065 4.606 1.00 0.00 N ATOM 1497 CA GLY A 100 18.533 0.473 3.423 1.00 0.00 C ATOM 1498 C GLY A 100 20.026 0.628 3.570 1.00 0.00 C ATOM 1499 O GLY A 100 20.497 1.513 4.286 1.00 0.00 O ATOM 0 H GLY A 100 18.519 -0.449 5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 100 18.325 -0.181 2.576 1.00 0.00 H new ATOM 0 HA3 GLY A 100 18.096 1.444 3.191 1.00 0.00 H new ATOM 1503 N ASP A 101 20.775 -0.226 2.891 1.00 0.00 N ATOM 1504 CA ASP A 101 22.229 -0.114 2.881 1.00 0.00 C ATOM 1505 C ASP A 101 22.695 0.459 1.552 1.00 0.00 C ATOM 1506 O ASP A 101 23.592 1.299 1.504 1.00 0.00 O ATOM 1507 CB ASP A 101 22.898 -1.467 3.132 1.00 0.00 C ATOM 1508 CG ASP A 101 24.407 -1.346 3.205 1.00 0.00 C ATOM 1509 OD1 ASP A 101 24.913 -0.776 4.194 1.00 0.00 O ATOM 1510 OD2 ASP A 101 25.097 -1.821 2.279 1.00 0.00 O1- ATOM 0 H ASP A 101 20.405 -1.001 2.341 1.00 0.00 H new ATOM 0 HA ASP A 101 22.520 0.557 3.689 1.00 0.00 H new ATOM 0 HB2 ASP A 101 22.522 -1.891 4.063 1.00 0.00 H new ATOM 0 HB3 ASP A 101 22.627 -2.159 2.335 1.00 0.00 H new ATOM 1515 N ASN A 102 22.075 0.004 0.472 1.00 0.00 N ATOM 1516 CA ASN A 102 22.351 0.553 -0.848 1.00 0.00 C ATOM 1517 C ASN A 102 21.042 0.982 -1.528 1.00 0.00 C ATOM 1518 O ASN A 102 20.853 2.171 -1.785 1.00 0.00 O ATOM 1519 CB ASN A 102 23.151 -0.438 -1.703 1.00 0.00 C ATOM 1520 CG ASN A 102 23.507 0.120 -3.066 1.00 0.00 C ATOM 1521 OD1 ASN A 102 22.737 0.003 -4.021 1.00 0.00 O ATOM 1522 ND2 ASN A 102 24.681 0.720 -3.172 1.00 0.00 N ATOM 0 H ASN A 102 21.379 -0.742 0.484 1.00 0.00 H new ATOM 0 HA ASN A 102 22.972 1.442 -0.736 1.00 0.00 H new ATOM 0 HB2 ASN A 102 24.066 -0.710 -1.176 1.00 0.00 H new ATOM 0 HB3 ASN A 102 22.572 -1.353 -1.829 1.00 0.00 H new ATOM 0 HD21 ASN A 102 24.977 1.106 -4.068 1.00 0.00 H new ATOM 0 HD22 ASN A 102 25.290 0.797 -2.357 1.00 0.00 H new ATOM 1529 N PRO A 103 20.105 0.050 -1.833 1.00 0.00 N ATOM 1530 CA PRO A 103 18.751 0.418 -2.247 1.00 0.00 C ATOM 1531 C PRO A 103 17.862 0.655 -1.034 1.00 0.00 C ATOM 1532 O PRO A 103 18.294 0.457 0.107 1.00 0.00 O ATOM 1533 CB PRO A 103 18.289 -0.825 -2.998 1.00 0.00 C ATOM 1534 CG PRO A 103 18.902 -1.927 -2.218 1.00 0.00 C ATOM 1535 CD PRO A 103 20.268 -1.425 -1.845 1.00 0.00 C ATOM 0 HA PRO A 103 18.712 1.334 -2.837 1.00 0.00 H new ATOM 0 HB2 PRO A 103 17.202 -0.902 -3.022 1.00 0.00 H new ATOM 0 HB3 PRO A 103 18.631 -0.823 -4.033 1.00 0.00 H new ATOM 0 HG2 PRO A 103 18.311 -2.160 -1.332 1.00 0.00 H new ATOM 0 HG3 PRO A 103 18.965 -2.841 -2.808 1.00 0.00 H new ATOM 0 HD2 PRO A 103 20.582 -1.802 -0.872 1.00 0.00 H new ATOM 0 HD3 PRO A 103 21.022 -1.739 -2.567 1.00 0.00 H new ATOM 1543 N LEU A 104 16.641 1.110 -1.264 1.00 0.00 N ATOM 1544 CA LEU A 104 15.670 1.181 -0.190 1.00 0.00 C ATOM 1545 C LEU A 104 15.195 -0.225 0.126 1.00 0.00 C ATOM 1546 O LEU A 104 15.188 -1.099 -0.742 1.00 0.00 O ATOM 1547 CB LEU A 104 14.476 2.058 -0.563 1.00 0.00 C ATOM 1548 CG LEU A 104 13.483 2.326 0.573 1.00 0.00 C ATOM 1549 CD1 LEU A 104 13.994 3.403 1.512 1.00 0.00 C ATOM 1550 CD2 LEU A 104 12.132 2.709 0.011 1.00 0.00 C ATOM 0 H LEU A 104 16.304 1.431 -2.172 1.00 0.00 H new ATOM 0 HA LEU A 104 16.146 1.631 0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 104 14.849 3.014 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 104 13.942 1.585 -1.387 1.00 0.00 H new ATOM 0 HG LEU A 104 13.376 1.407 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 104 13.266 3.569 2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 104 14.941 3.086 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.142 4.329 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 104 11.437 2.896 0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 104 12.232 3.610 -0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.752 1.897 -0.609 1.00 0.00 H new ATOM 1562 N GLU A 105 14.790 -0.439 1.357 1.00 0.00 N ATOM 1563 CA GLU A 105 14.442 -1.765 1.818 1.00 0.00 C ATOM 1564 C GLU A 105 13.185 -1.693 2.655 1.00 0.00 C ATOM 1565 O GLU A 105 13.113 -0.961 3.634 1.00 0.00 O ATOM 1566 CB GLU A 105 15.591 -2.359 2.623 1.00 0.00 C ATOM 1567 CG GLU A 105 16.875 -2.498 1.828 1.00 0.00 C ATOM 1568 CD GLU A 105 17.162 -3.931 1.439 1.00 0.00 C ATOM 1569 OE1 GLU A 105 16.275 -4.590 0.868 1.00 0.00 O ATOM 1570 OE2 GLU A 105 18.274 -4.416 1.731 1.00 0.00 O1- ATOM 0 H GLU A 105 14.693 0.292 2.061 1.00 0.00 H new ATOM 0 HA GLU A 105 14.258 -2.411 0.960 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.778 -1.730 3.494 1.00 0.00 H new ATOM 0 HB3 GLU A 105 15.295 -3.340 2.995 1.00 0.00 H new ATOM 0 HG2 GLU A 105 16.809 -1.887 0.928 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.707 -2.111 2.416 1.00 0.00 H new ATOM 1577 N VAL A 106 12.192 -2.433 2.242 1.00 0.00 N ATOM 1578 CA VAL A 106 10.894 -2.396 2.875 1.00 0.00 C ATOM 1579 C VAL A 106 10.441 -3.804 3.220 1.00 0.00 C ATOM 1580 O VAL A 106 10.394 -4.656 2.344 1.00 0.00 O ATOM 1581 CB VAL A 106 9.901 -1.695 1.924 1.00 0.00 C ATOM 1582 CG1 VAL A 106 10.266 -1.996 0.481 1.00 0.00 C ATOM 1583 CG2 VAL A 106 8.453 -2.080 2.202 1.00 0.00 C ATOM 0 H VAL A 106 12.256 -3.081 1.457 1.00 0.00 H new ATOM 0 HA VAL A 106 10.943 -1.834 3.808 1.00 0.00 H new ATOM 0 HB VAL A 106 9.980 -0.623 2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 106 9.561 -1.498 -0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 106 11.274 -1.634 0.278 1.00 0.00 H new ATOM 0 HG13 VAL A 106 10.226 -3.072 0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 106 7.798 -1.558 1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 106 8.332 -3.156 2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 106 8.192 -1.801 3.223 1.00 0.00 H new ATOM 1593 N LYS A 107 10.134 -4.040 4.504 1.00 0.00 N ATOM 1594 CA LYS A 107 9.758 -5.369 5.007 1.00 0.00 C ATOM 1595 C LYS A 107 10.730 -6.440 4.494 1.00 0.00 C ATOM 1596 O LYS A 107 11.945 -6.252 4.557 1.00 0.00 O ATOM 1597 CB LYS A 107 8.277 -5.706 4.687 1.00 0.00 C ATOM 1598 CG LYS A 107 7.912 -5.763 3.207 1.00 0.00 C ATOM 1599 CD LYS A 107 6.422 -5.551 2.972 1.00 0.00 C ATOM 1600 CE LYS A 107 5.581 -6.659 3.585 1.00 0.00 C ATOM 1601 NZ LYS A 107 5.779 -7.965 2.896 1.00 0.00 N1+ ATOM 0 H LYS A 107 10.139 -3.316 5.222 1.00 0.00 H new ATOM 0 HA LYS A 107 9.838 -5.356 6.094 1.00 0.00 H new ATOM 0 HB2 LYS A 107 8.038 -6.669 5.138 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.643 -4.962 5.169 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.475 -5.002 2.666 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.208 -6.729 2.799 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.122 -4.593 3.396 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.228 -5.501 1.901 1.00 0.00 H new ATOM 0 HE2 LYS A 107 5.836 -6.765 4.640 1.00 0.00 H new ATOM 0 HE3 LYS A 107 4.528 -6.382 3.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 4.930 -8.553 3.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.946 -7.801 1.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.599 -8.454 3.308 1.00 0.00 H new ATOM 1615 N ASN A 108 10.211 -7.542 3.983 1.00 0.00 N ATOM 1616 CA ASN A 108 11.044 -8.601 3.427 1.00 0.00 C ATOM 1617 C ASN A 108 11.322 -8.341 1.948 1.00 0.00 C ATOM 1618 O ASN A 108 11.598 -9.261 1.181 1.00 0.00 O ATOM 1619 CB ASN A 108 10.370 -9.971 3.610 1.00 0.00 C ATOM 1620 CG ASN A 108 8.960 -10.035 3.036 1.00 0.00 C ATOM 1621 OD1 ASN A 108 8.238 -9.038 2.999 1.00 0.00 O ATOM 1622 ND2 ASN A 108 8.548 -11.214 2.595 1.00 0.00 N ATOM 0 H ASN A 108 9.209 -7.730 3.940 1.00 0.00 H new ATOM 0 HA ASN A 108 11.993 -8.608 3.963 1.00 0.00 H new ATOM 0 HB2 ASN A 108 10.983 -10.736 3.133 1.00 0.00 H new ATOM 0 HB3 ASN A 108 10.332 -10.210 4.673 1.00 0.00 H new ATOM 0 HD21 ASN A 108 7.608 -11.315 2.211 1.00 0.00 H new ATOM 0 HD22 ASN A 108 9.170 -12.021 2.639 1.00 0.00 H new ATOM 1629 N ALA A 109 11.269 -7.074 1.561 1.00 0.00 N ATOM 1630 CA ALA A 109 11.418 -6.685 0.169 1.00 0.00 C ATOM 1631 C ALA A 109 12.535 -5.662 -0.016 1.00 0.00 C ATOM 1632 O ALA A 109 12.962 -5.008 0.935 1.00 0.00 O ATOM 1633 CB ALA A 109 10.101 -6.131 -0.355 1.00 0.00 C ATOM 0 H ALA A 109 11.122 -6.293 2.200 1.00 0.00 H new ATOM 0 HA ALA A 109 11.691 -7.573 -0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.218 -5.841 -1.399 1.00 0.00 H new ATOM 0 HB2 ALA A 109 9.328 -6.895 -0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.813 -5.260 0.234 1.00 0.00 H new ATOM 1639 N THR A 110 12.971 -5.515 -1.255 1.00 0.00 N ATOM 1640 CA THR A 110 14.035 -4.614 -1.617 1.00 0.00 C ATOM 1641 C THR A 110 13.542 -3.742 -2.745 1.00 0.00 C ATOM 1642 O THR A 110 12.815 -4.208 -3.615 1.00 0.00 O ATOM 1643 CB THR A 110 15.291 -5.375 -2.081 1.00 0.00 C ATOM 1644 OG1 THR A 110 15.721 -6.271 -1.051 1.00 0.00 O ATOM 1645 CG2 THR A 110 16.421 -4.412 -2.413 1.00 0.00 C ATOM 0 H THR A 110 12.585 -6.030 -2.046 1.00 0.00 H new ATOM 0 HA THR A 110 14.309 -4.021 -0.744 1.00 0.00 H new ATOM 0 HB THR A 110 15.036 -5.936 -2.980 1.00 0.00 H new ATOM 0 HG1 THR A 110 15.982 -5.757 -0.258 1.00 0.00 H new ATOM 0 HG21 THR A 110 17.296 -4.976 -2.738 1.00 0.00 H new ATOM 0 HG22 THR A 110 16.104 -3.741 -3.212 1.00 0.00 H new ATOM 0 HG23 THR A 110 16.674 -3.828 -1.528 1.00 0.00 H new ATOM 1653 N VAL A 111 13.898 -2.488 -2.717 1.00 0.00 N ATOM 1654 CA VAL A 111 13.431 -1.562 -3.727 1.00 0.00 C ATOM 1655 C VAL A 111 14.292 -1.590 -4.982 1.00 0.00 C ATOM 1656 O VAL A 111 15.511 -1.417 -4.929 1.00 0.00 O ATOM 1657 CB VAL A 111 13.353 -0.142 -3.165 1.00 0.00 C ATOM 1658 CG1 VAL A 111 13.203 0.889 -4.271 1.00 0.00 C ATOM 1659 CG2 VAL A 111 12.199 -0.049 -2.200 1.00 0.00 C ATOM 0 H VAL A 111 14.508 -2.078 -2.010 1.00 0.00 H new ATOM 0 HA VAL A 111 12.431 -1.885 -4.015 1.00 0.00 H new ATOM 0 HB VAL A 111 14.285 0.074 -2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 111 13.151 1.886 -3.834 1.00 0.00 H new ATOM 0 HG12 VAL A 111 14.061 0.831 -4.941 1.00 0.00 H new ATOM 0 HG13 VAL A 111 12.290 0.690 -4.832 1.00 0.00 H new ATOM 0 HG21 VAL A 111 12.141 0.963 -1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 111 11.270 -0.287 -2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.349 -0.756 -1.384 1.00 0.00 H new ATOM 1669 N LEU A 112 13.632 -1.811 -6.110 1.00 0.00 N ATOM 1670 CA LEU A 112 14.276 -1.772 -7.398 1.00 0.00 C ATOM 1671 C LEU A 112 14.248 -0.353 -7.929 1.00 0.00 C ATOM 1672 O LEU A 112 15.204 0.106 -8.554 1.00 0.00 O ATOM 1673 CB LEU A 112 13.591 -2.693 -8.409 1.00 0.00 C ATOM 1674 CG LEU A 112 13.725 -4.187 -8.144 1.00 0.00 C ATOM 1675 CD1 LEU A 112 12.762 -4.589 -7.058 1.00 0.00 C ATOM 1676 CD2 LEU A 112 13.467 -4.982 -9.415 1.00 0.00 C ATOM 0 H LEU A 112 12.635 -2.022 -6.149 1.00 0.00 H new ATOM 0 HA LEU A 112 15.302 -2.117 -7.266 1.00 0.00 H new ATOM 0 HB2 LEU A 112 12.531 -2.443 -8.439 1.00 0.00 H new ATOM 0 HB3 LEU A 112 13.997 -2.481 -9.398 1.00 0.00 H new ATOM 0 HG LEU A 112 14.742 -4.404 -7.817 1.00 0.00 H new ATOM 0 HD11 LEU A 112 12.856 -5.658 -6.866 1.00 0.00 H new ATOM 0 HD12 LEU A 112 12.989 -4.035 -6.147 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.743 -4.365 -7.374 1.00 0.00 H new ATOM 0 HD21 LEU A 112 13.567 -6.047 -9.205 1.00 0.00 H new ATOM 0 HD22 LEU A 112 12.459 -4.777 -9.774 1.00 0.00 H new ATOM 0 HD23 LEU A 112 14.190 -4.693 -10.178 1.00 0.00 H new ATOM 1688 N ALA A 113 13.150 0.352 -7.655 1.00 0.00 N ATOM 1689 CA ALA A 113 12.961 1.681 -8.202 1.00 0.00 C ATOM 1690 C ALA A 113 11.948 2.454 -7.381 1.00 0.00 C ATOM 1691 O ALA A 113 10.769 2.112 -7.356 1.00 0.00 O ATOM 1692 CB ALA A 113 12.514 1.596 -9.654 1.00 0.00 C ATOM 0 H ALA A 113 12.388 0.022 -7.062 1.00 0.00 H new ATOM 0 HA ALA A 113 13.913 2.211 -8.162 1.00 0.00 H new ATOM 0 HB1 ALA A 113 12.376 2.601 -10.052 1.00 0.00 H new ATOM 0 HB2 ALA A 113 13.273 1.076 -10.238 1.00 0.00 H new ATOM 0 HB3 ALA A 113 11.573 1.050 -9.713 1.00 0.00 H new ATOM 1698 N ALA A 114 12.408 3.472 -6.686 1.00 0.00 N ATOM 1699 CA ALA A 114 11.540 4.300 -5.897 1.00 0.00 C ATOM 1700 C ALA A 114 11.888 5.750 -6.107 1.00 0.00 C ATOM 1701 O ALA A 114 12.720 6.068 -6.958 1.00 0.00 O ATOM 1702 CB ALA A 114 11.654 3.926 -4.437 1.00 0.00 C ATOM 0 H ALA A 114 13.391 3.743 -6.656 1.00 0.00 H new ATOM 0 HA ALA A 114 10.508 4.143 -6.211 1.00 0.00 H new ATOM 0 HB1 ALA A 114 10.992 4.559 -3.846 1.00 0.00 H new ATOM 0 HB2 ALA A 114 11.370 2.882 -4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.683 4.067 -4.105 1.00 0.00 H new ATOM 1708 N ASP A 115 11.232 6.616 -5.337 1.00 0.00 N ATOM 1709 CA ASP A 115 11.332 8.056 -5.531 1.00 0.00 C ATOM 1710 C ASP A 115 10.615 8.390 -6.833 1.00 0.00 C ATOM 1711 O ASP A 115 10.880 9.393 -7.487 1.00 0.00 O ATOM 1712 CB ASP A 115 12.815 8.487 -5.552 1.00 0.00 C ATOM 1713 CG ASP A 115 13.035 9.991 -5.553 1.00 0.00 C ATOM 1714 OD1 ASP A 115 13.091 10.583 -4.457 1.00 0.00 O ATOM 1715 OD2 ASP A 115 13.195 10.583 -6.640 1.00 0.00 O1- ATOM 0 H ASP A 115 10.622 6.340 -4.568 1.00 0.00 H new ATOM 0 HA ASP A 115 10.863 8.602 -4.712 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.317 8.060 -4.684 1.00 0.00 H new ATOM 0 HB3 ASP A 115 13.291 8.062 -6.436 1.00 0.00 H new ATOM 1720 N ILE A 116 9.663 7.526 -7.185 1.00 0.00 N ATOM 1721 CA ILE A 116 8.897 7.692 -8.399 1.00 0.00 C ATOM 1722 C ILE A 116 7.657 8.502 -8.114 1.00 0.00 C ATOM 1723 O ILE A 116 6.715 7.991 -7.529 1.00 0.00 O ATOM 1724 CB ILE A 116 8.427 6.332 -8.944 1.00 0.00 C ATOM 1725 CG1 ILE A 116 9.567 5.311 -8.916 1.00 0.00 C ATOM 1726 CG2 ILE A 116 7.868 6.505 -10.342 1.00 0.00 C ATOM 1727 CD1 ILE A 116 9.220 3.981 -9.558 1.00 0.00 C ATOM 0 H ILE A 116 9.410 6.703 -6.637 1.00 0.00 H new ATOM 0 HA ILE A 116 9.540 8.189 -9.125 1.00 0.00 H new ATOM 0 HB ILE A 116 7.634 5.947 -8.304 1.00 0.00 H new ATOM 0 HG12 ILE A 116 10.433 5.734 -9.426 1.00 0.00 H new ATOM 0 HG13 ILE A 116 9.860 5.137 -7.881 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.537 5.539 -10.723 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.023 7.193 -10.313 1.00 0.00 H new ATOM 0 HG23 ILE A 116 8.642 6.907 -10.996 1.00 0.00 H new ATOM 0 HD11 ILE A 116 10.079 3.313 -9.498 1.00 0.00 H new ATOM 0 HD12 ILE A 116 8.375 3.534 -9.034 1.00 0.00 H new ATOM 0 HD13 ILE A 116 8.956 4.140 -10.604 1.00 0.00 H new ATOM 1739 N GLU A 117 7.633 9.745 -8.531 1.00 0.00 N ATOM 1740 CA GLU A 117 6.473 10.560 -8.353 1.00 0.00 C ATOM 1741 C GLU A 117 5.304 10.097 -9.199 1.00 0.00 C ATOM 1742 O GLU A 117 5.284 10.231 -10.422 1.00 0.00 O ATOM 1743 CB GLU A 117 6.839 11.980 -8.597 1.00 0.00 C ATOM 1744 CG GLU A 117 8.020 12.074 -9.482 1.00 0.00 C ATOM 1745 CD GLU A 117 8.144 13.398 -10.200 1.00 0.00 C ATOM 1746 OE1 GLU A 117 8.776 14.319 -9.645 1.00 0.00 O ATOM 1747 OE2 GLU A 117 7.612 13.521 -11.325 1.00 0.00 O1- ATOM 0 H GLU A 117 8.412 10.209 -8.998 1.00 0.00 H new ATOM 0 HA GLU A 117 6.125 10.464 -7.325 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.997 12.504 -9.049 1.00 0.00 H new ATOM 0 HB3 GLU A 117 7.050 12.474 -7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 117 8.920 11.908 -8.890 1.00 0.00 H new ATOM 0 HG3 GLU A 117 7.972 11.274 -10.221 1.00 0.00 H new ATOM 1754 N ALA A 118 4.342 9.544 -8.498 1.00 0.00 N ATOM 1755 CA ALA A 118 3.167 8.938 -9.092 1.00 0.00 C ATOM 1756 C ALA A 118 2.104 9.971 -9.403 1.00 0.00 C ATOM 1757 O ALA A 118 2.305 11.165 -9.191 1.00 0.00 O ATOM 1758 CB ALA A 118 2.603 7.886 -8.149 1.00 0.00 C ATOM 0 H ALA A 118 4.352 9.500 -7.479 1.00 0.00 H new ATOM 0 HA ALA A 118 3.465 8.472 -10.031 1.00 0.00 H new ATOM 0 HB1 ALA A 118 1.720 7.432 -8.597 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.355 7.118 -7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.330 8.354 -7.203 1.00 0.00 H new ATOM 1764 N GLU A 119 0.976 9.485 -9.903 1.00 0.00 N ATOM 1765 CA GLU A 119 -0.185 10.310 -10.205 1.00 0.00 C ATOM 1766 C GLU A 119 -0.471 11.310 -9.088 1.00 0.00 C ATOM 1767 O GLU A 119 -0.610 12.507 -9.333 1.00 0.00 O ATOM 1768 CB GLU A 119 -1.403 9.407 -10.432 1.00 0.00 C ATOM 1769 CG GLU A 119 -1.495 8.248 -9.443 1.00 0.00 C ATOM 1770 CD GLU A 119 -2.750 7.423 -9.623 1.00 0.00 C ATOM 1771 OE1 GLU A 119 -2.737 6.478 -10.440 1.00 0.00 O ATOM 1772 OE2 GLU A 119 -3.753 7.714 -8.942 1.00 0.00 O1- ATOM 0 H GLU A 119 0.840 8.496 -10.112 1.00 0.00 H new ATOM 0 HA GLU A 119 0.026 10.882 -11.109 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -2.309 10.008 -10.360 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -1.365 9.007 -11.445 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.623 7.605 -9.561 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -1.466 8.640 -8.426 1.00 0.00 H new ATOM 1779 N ASN A 120 -0.550 10.816 -7.864 1.00 0.00 N ATOM 1780 CA ASN A 120 -0.852 11.669 -6.727 1.00 0.00 C ATOM 1781 C ASN A 120 0.275 11.667 -5.700 1.00 0.00 C ATOM 1782 O ASN A 120 0.299 12.506 -4.812 1.00 0.00 O ATOM 1783 CB ASN A 120 -2.164 11.239 -6.067 1.00 0.00 C ATOM 1784 CG ASN A 120 -3.376 11.472 -6.955 1.00 0.00 C ATOM 1785 OD1 ASN A 120 -3.948 12.561 -6.967 1.00 0.00 O ATOM 1786 ND2 ASN A 120 -3.790 10.450 -7.690 1.00 0.00 N ATOM 0 H ASN A 120 -0.410 9.833 -7.633 1.00 0.00 H new ATOM 0 HA ASN A 120 -0.957 12.686 -7.104 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -2.106 10.181 -5.810 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -2.293 11.787 -5.134 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -4.608 10.552 -8.291 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -3.291 9.561 -7.655 1.00 0.00 H new ATOM 1793 N GLY A 121 1.208 10.728 -5.810 1.00 0.00 N ATOM 1794 CA GLY A 121 2.244 10.618 -4.797 1.00 0.00 C ATOM 1795 C GLY A 121 3.525 10.034 -5.317 1.00 0.00 C ATOM 1796 O GLY A 121 4.244 10.671 -6.083 1.00 0.00 O ATOM 0 H GLY A 121 1.267 10.050 -6.570 1.00 0.00 H new ATOM 0 HA2 GLY A 121 2.445 11.607 -4.384 1.00 0.00 H new ATOM 0 HA3 GLY A 121 1.877 9.999 -3.978 1.00 0.00 H new ATOM 1800 N ILE A 122 3.804 8.822 -4.884 1.00 0.00 N ATOM 1801 CA ILE A 122 5.043 8.134 -5.202 1.00 0.00 C ATOM 1802 C ILE A 122 4.826 6.625 -5.354 1.00 0.00 C ATOM 1803 O ILE A 122 4.002 6.032 -4.667 1.00 0.00 O ATOM 1804 CB ILE A 122 6.094 8.414 -4.103 1.00 0.00 C ATOM 1805 CG1 ILE A 122 6.562 9.857 -4.190 1.00 0.00 C ATOM 1806 CG2 ILE A 122 7.283 7.482 -4.206 1.00 0.00 C ATOM 1807 CD1 ILE A 122 7.540 10.094 -5.325 1.00 0.00 C ATOM 0 H ILE A 122 3.172 8.279 -4.295 1.00 0.00 H new ATOM 0 HA ILE A 122 5.405 8.514 -6.157 1.00 0.00 H new ATOM 0 HB ILE A 122 5.617 8.237 -3.139 1.00 0.00 H new ATOM 0 HG12 ILE A 122 5.697 10.507 -4.321 1.00 0.00 H new ATOM 0 HG13 ILE A 122 7.032 10.138 -3.248 1.00 0.00 H new ATOM 0 HG21 ILE A 122 7.996 7.714 -3.415 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.947 6.450 -4.101 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.763 7.610 -5.176 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.838 11.142 -5.336 1.00 0.00 H new ATOM 0 HD12 ILE A 122 8.421 9.468 -5.183 1.00 0.00 H new ATOM 0 HD13 ILE A 122 7.065 9.842 -6.273 1.00 0.00 H new ATOM 1819 N ILE A 123 5.560 6.030 -6.282 1.00 0.00 N ATOM 1820 CA ILE A 123 5.552 4.585 -6.501 1.00 0.00 C ATOM 1821 C ILE A 123 6.915 4.009 -6.137 1.00 0.00 C ATOM 1822 O ILE A 123 7.929 4.706 -6.220 1.00 0.00 O ATOM 1823 CB ILE A 123 5.199 4.242 -7.974 1.00 0.00 C ATOM 1824 CG1 ILE A 123 3.699 4.433 -8.200 1.00 0.00 C ATOM 1825 CG2 ILE A 123 5.609 2.814 -8.329 1.00 0.00 C ATOM 1826 CD1 ILE A 123 3.323 4.656 -9.646 1.00 0.00 C ATOM 0 H ILE A 123 6.183 6.537 -6.911 1.00 0.00 H new ATOM 0 HA ILE A 123 4.787 4.141 -5.864 1.00 0.00 H new ATOM 0 HB ILE A 123 5.755 4.917 -8.625 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.171 3.555 -7.828 1.00 0.00 H new ATOM 0 HG13 ILE A 123 3.358 5.284 -7.610 1.00 0.00 H new ATOM 0 HG21 ILE A 123 5.347 2.608 -9.367 1.00 0.00 H new ATOM 0 HG22 ILE A 123 6.685 2.701 -8.197 1.00 0.00 H new ATOM 0 HG23 ILE A 123 5.088 2.113 -7.677 1.00 0.00 H new ATOM 0 HD11 ILE A 123 2.243 4.783 -9.726 1.00 0.00 H new ATOM 0 HD12 ILE A 123 3.822 5.551 -10.018 1.00 0.00 H new ATOM 0 HD13 ILE A 123 3.632 3.795 -10.239 1.00 0.00 H new ATOM 1838 N HIS A 124 6.944 2.755 -5.704 1.00 0.00 N ATOM 1839 CA HIS A 124 8.193 2.143 -5.305 1.00 0.00 C ATOM 1840 C HIS A 124 8.205 0.666 -5.586 1.00 0.00 C ATOM 1841 O HIS A 124 7.446 -0.100 -5.036 1.00 0.00 O ATOM 1842 CB HIS A 124 8.461 2.527 -3.857 1.00 0.00 C ATOM 1843 CG HIS A 124 8.674 1.499 -2.787 1.00 0.00 C ATOM 1844 ND1 HIS A 124 9.535 1.745 -1.740 1.00 0.00 N ATOM 1845 CD2 HIS A 124 8.033 0.359 -2.473 1.00 0.00 C ATOM 1846 CE1 HIS A 124 9.404 0.803 -0.834 1.00 0.00 C ATOM 1847 NE2 HIS A 124 8.501 -0.050 -1.255 1.00 0.00 N ATOM 0 H HIS A 124 6.125 2.153 -5.623 1.00 0.00 H new ATOM 0 HA HIS A 124 9.023 2.519 -5.903 1.00 0.00 H new ATOM 0 HB2 HIS A 124 9.345 3.165 -3.860 1.00 0.00 H new ATOM 0 HB3 HIS A 124 7.623 3.145 -3.536 1.00 0.00 H new ATOM 0 HD1 HIS A 124 10.175 2.536 -1.678 1.00 0.00 H new ATOM 0 HD2 HIS A 124 7.286 -0.141 -3.072 1.00 0.00 H new ATOM 0 HE1 HIS A 124 9.947 0.741 0.098 1.00 0.00 H new ATOM 1856 N VAL A 125 9.073 0.293 -6.468 1.00 0.00 N ATOM 1857 CA VAL A 125 9.147 -1.073 -6.938 1.00 0.00 C ATOM 1858 C VAL A 125 9.943 -1.918 -5.965 1.00 0.00 C ATOM 1859 O VAL A 125 11.054 -1.557 -5.594 1.00 0.00 O ATOM 1860 CB VAL A 125 9.782 -1.143 -8.342 1.00 0.00 C ATOM 1861 CG1 VAL A 125 9.752 -2.564 -8.880 1.00 0.00 C ATOM 1862 CG2 VAL A 125 9.072 -0.190 -9.292 1.00 0.00 C ATOM 0 H VAL A 125 9.758 0.920 -6.891 1.00 0.00 H new ATOM 0 HA VAL A 125 8.132 -1.464 -7.003 1.00 0.00 H new ATOM 0 HB VAL A 125 10.825 -0.837 -8.263 1.00 0.00 H new ATOM 0 HG11 VAL A 125 10.205 -2.587 -9.871 1.00 0.00 H new ATOM 0 HG12 VAL A 125 10.310 -3.218 -8.210 1.00 0.00 H new ATOM 0 HG13 VAL A 125 8.719 -2.907 -8.945 1.00 0.00 H new ATOM 0 HG21 VAL A 125 9.531 -0.251 -10.279 1.00 0.00 H new ATOM 0 HG22 VAL A 125 8.020 -0.465 -9.364 1.00 0.00 H new ATOM 0 HG23 VAL A 125 9.156 0.829 -8.915 1.00 0.00 H new ATOM 1872 N ILE A 126 9.363 -3.023 -5.525 1.00 0.00 N ATOM 1873 CA ILE A 126 10.033 -3.905 -4.593 1.00 0.00 C ATOM 1874 C ILE A 126 10.142 -5.295 -5.150 1.00 0.00 C ATOM 1875 O ILE A 126 9.405 -5.704 -6.045 1.00 0.00 O ATOM 1876 CB ILE A 126 9.347 -3.988 -3.219 1.00 0.00 C ATOM 1877 CG1 ILE A 126 7.982 -4.671 -3.318 1.00 0.00 C ATOM 1878 CG2 ILE A 126 9.226 -2.612 -2.614 1.00 0.00 C ATOM 1879 CD1 ILE A 126 6.797 -3.730 -3.210 1.00 0.00 C ATOM 0 H ILE A 126 8.429 -3.328 -5.800 1.00 0.00 H new ATOM 0 HA ILE A 126 11.021 -3.467 -4.450 1.00 0.00 H new ATOM 0 HB ILE A 126 9.967 -4.600 -2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 126 7.923 -5.201 -4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 126 7.907 -5.421 -2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 126 8.739 -2.684 -1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 126 10.219 -2.180 -2.491 1.00 0.00 H new ATOM 0 HG23 ILE A 126 8.632 -1.976 -3.271 1.00 0.00 H new ATOM 0 HD11 ILE A 126 5.871 -4.300 -3.291 1.00 0.00 H new ATOM 0 HD12 ILE A 126 6.825 -3.218 -2.248 1.00 0.00 H new ATOM 0 HD13 ILE A 126 6.842 -2.995 -4.014 1.00 0.00 H new ATOM 1891 N ASP A 127 11.060 -6.015 -4.572 1.00 0.00 N ATOM 1892 CA ASP A 127 11.488 -7.288 -5.082 1.00 0.00 C ATOM 1893 C ASP A 127 10.713 -8.417 -4.418 1.00 0.00 C ATOM 1894 O ASP A 127 10.892 -9.591 -4.722 1.00 0.00 O ATOM 1895 CB ASP A 127 12.996 -7.412 -4.863 1.00 0.00 C ATOM 1896 CG ASP A 127 13.570 -8.749 -5.283 1.00 0.00 C ATOM 1897 OD1 ASP A 127 13.698 -8.990 -6.500 1.00 0.00 O ATOM 1898 OD2 ASP A 127 13.913 -9.558 -4.397 1.00 0.00 O1- ATOM 0 H ASP A 127 11.541 -5.730 -3.719 1.00 0.00 H new ATOM 0 HA ASP A 127 11.283 -7.360 -6.150 1.00 0.00 H new ATOM 0 HB2 ASP A 127 13.500 -6.621 -5.418 1.00 0.00 H new ATOM 0 HB3 ASP A 127 13.214 -7.249 -3.808 1.00 0.00 H new ATOM 1903 N THR A 128 9.798 -8.034 -3.551 1.00 0.00 N ATOM 1904 CA THR A 128 9.019 -8.984 -2.788 1.00 0.00 C ATOM 1905 C THR A 128 7.743 -8.329 -2.278 1.00 0.00 C ATOM 1906 O THR A 128 7.779 -7.225 -1.749 1.00 0.00 O ATOM 1907 CB THR A 128 9.841 -9.534 -1.603 1.00 0.00 C ATOM 1908 OG1 THR A 128 10.807 -10.485 -2.068 1.00 0.00 O ATOM 1909 CG2 THR A 128 8.952 -10.166 -0.549 1.00 0.00 C ATOM 0 H THR A 128 9.575 -7.058 -3.357 1.00 0.00 H new ATOM 0 HA THR A 128 8.754 -9.815 -3.442 1.00 0.00 H new ATOM 0 HB THR A 128 10.358 -8.693 -1.141 1.00 0.00 H new ATOM 0 HG1 THR A 128 10.887 -10.420 -3.043 1.00 0.00 H new ATOM 0 HG21 THR A 128 9.567 -10.541 0.269 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.255 -9.420 -0.166 1.00 0.00 H new ATOM 0 HG23 THR A 128 8.394 -10.991 -0.991 1.00 0.00 H new ATOM 1917 N VAL A 129 6.617 -8.985 -2.480 1.00 0.00 N ATOM 1918 CA VAL A 129 5.381 -8.529 -1.903 1.00 0.00 C ATOM 1919 C VAL A 129 5.445 -8.721 -0.395 1.00 0.00 C ATOM 1920 O VAL A 129 5.766 -9.850 0.036 1.00 0.00 O ATOM 1921 CB VAL A 129 4.173 -9.285 -2.486 1.00 0.00 C ATOM 1922 CG1 VAL A 129 2.918 -8.915 -1.742 1.00 0.00 C ATOM 1923 CG2 VAL A 129 4.014 -8.970 -3.962 1.00 0.00 C ATOM 0 H VAL A 129 6.539 -9.834 -3.040 1.00 0.00 H new ATOM 0 HA VAL A 129 5.249 -7.474 -2.142 1.00 0.00 H new ATOM 0 HB VAL A 129 4.347 -10.355 -2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.072 -9.457 -2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.028 -9.177 -0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 129 2.744 -7.843 -1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 129 3.156 -9.512 -4.359 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.858 -7.899 -4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 129 4.914 -9.272 -4.498 1.00 0.00 H new