USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 770 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 28 GLN : amide:sc= -0.667! K(o=-0.14!,f=-1.3) USER MOD Set 1.2: A 107 HIS : no HE2:sc= 0.527 K(o=-0.14,f=-6.9!) USER MOD Set 2.1: A 91 ASN : amide:sc= -3.52! C(o=-2.5!,f=-4.9!) USER MOD Set 2.2: A 95 SER OG : rot -132:sc= 0.543 USER MOD Set 2.3: A 99 TYR OH : rot 180:sc= 0.485 USER MOD Single : A 23 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.38) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -1:sc= 0.354 USER MOD Single : A 39 SER OG : rot -18:sc= 0.144 USER MOD Single : A 40 LYS NZ :NH3+ -165:sc= -0.0241 (180deg=-0.259) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0663 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.719 K(o=-0.72,f=-14!) USER MOD Single : A 54 MET CE :methyl 164:sc= -0.259 (180deg=-0.869) USER MOD Single : A 56 THR OG1 : rot 54:sc= 0.21 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc=-0.00529 X(o=-0.0053,f=-0.0053) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0383 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.591 USER MOD Single : A 62 TYR OH : rot 53:sc= 0.341 USER MOD Single : A 63 SER OG : rot 77:sc= 1.24 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 11:sc= 1.19 USER MOD Single : A 70 SER OG : rot 101:sc= 1.23 USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -16:sc= 1.11 USER MOD Single : A 81 GLN : amide:sc= -1.03 K(o=-1,f=-0.16) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 85 HIS : no HD1:sc= -0.558 K(o=-0.56,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 170:sc= 1.46 USER MOD Single : A 93 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.45) USER MOD Single : A 94 ASN : amide:sc= -0.279 K(o=-0.28,f=-2.8!) USER MOD Single : A 96 SER OG : rot 180:sc= -0.064 USER MOD Single : A 100 MET CE :methyl -159:sc= -0.124 (180deg=-0.926) USER MOD Single : A 104 THR OG1 : rot -170:sc= 0.201 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.43 K(o=-0.43,f=-1.7) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -39:sc= 0.934 USER MOD Single : A 121 THR OG1 : rot 43:sc= 0.0936 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 -0.092 -8.004 -5.508 1.00 0.00 N ATOM 2 CA GLN A 23 0.515 -8.469 -4.268 1.00 0.00 C ATOM 3 C GLN A 23 0.249 -7.490 -3.129 1.00 0.00 C ATOM 4 O GLN A 23 0.397 -6.281 -3.290 1.00 0.00 O ATOM 5 CB GLN A 23 2.021 -8.684 -4.440 1.00 0.00 C ATOM 6 CG GLN A 23 2.367 -9.808 -5.405 1.00 0.00 C ATOM 7 CD GLN A 23 3.837 -10.185 -5.370 1.00 0.00 C ATOM 8 OE1 GLN A 23 4.701 -9.350 -5.104 1.00 0.00 O ATOM 9 NE2 GLN A 23 4.133 -11.448 -5.636 1.00 0.00 N ATOM 0 HA GLN A 23 0.057 -9.425 -4.015 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.474 -7.758 -4.795 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.462 -8.902 -3.467 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.766 -10.685 -5.164 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.098 -9.506 -6.417 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.389 -12.112 -5.852 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.105 -11.757 -5.625 1.00 0.00 H new ATOM 18 N PRO A 24 -0.170 -8.015 -1.970 1.00 0.00 N ATOM 19 CA PRO A 24 -0.446 -7.214 -0.781 1.00 0.00 C ATOM 20 C PRO A 24 0.793 -7.001 0.083 1.00 0.00 C ATOM 21 O PRO A 24 1.927 -7.080 -0.400 1.00 0.00 O ATOM 22 CB PRO A 24 -1.468 -8.077 -0.047 1.00 0.00 C ATOM 23 CG PRO A 24 -1.057 -9.476 -0.353 1.00 0.00 C ATOM 24 CD PRO A 24 -0.430 -9.449 -1.726 1.00 0.00 C ATOM 0 HA PRO A 24 -0.788 -6.208 -1.022 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.454 -7.884 1.026 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -2.481 -7.875 -0.394 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.349 -9.843 0.390 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -1.917 -10.146 -0.332 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.490 -10.033 -1.757 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.098 -9.868 -2.479 1.00 0.00 H new ATOM 32 N ASP A 25 0.538 -6.733 1.360 1.00 0.00 N ATOM 33 CA ASP A 25 1.581 -6.524 2.368 1.00 0.00 C ATOM 34 C ASP A 25 2.205 -5.143 2.207 1.00 0.00 C ATOM 35 O ASP A 25 3.362 -4.991 1.810 1.00 0.00 O ATOM 36 CB ASP A 25 2.646 -7.636 2.330 1.00 0.00 C ATOM 37 CG ASP A 25 3.714 -7.486 3.399 1.00 0.00 C ATOM 38 OD1 ASP A 25 3.361 -7.280 4.580 1.00 0.00 O ATOM 39 OD2 ASP A 25 4.917 -7.581 3.061 1.00 0.00 O ATOM 0 H ASP A 25 -0.408 -6.653 1.732 1.00 0.00 H new ATOM 0 HA ASP A 25 1.113 -6.574 3.351 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.156 -8.602 2.450 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.122 -7.639 1.349 1.00 0.00 H new ATOM 44 N GLY A 26 1.390 -4.138 2.482 1.00 0.00 N ATOM 45 CA GLY A 26 1.840 -2.765 2.451 1.00 0.00 C ATOM 46 C GLY A 26 1.311 -2.030 1.243 1.00 0.00 C ATOM 47 O GLY A 26 1.631 -2.375 0.110 1.00 0.00 O ATOM 0 H GLY A 26 0.407 -4.254 2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.515 -2.255 3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.930 -2.739 2.444 1.00 0.00 H new ATOM 51 N VAL A 27 0.494 -1.024 1.491 1.00 0.00 N ATOM 52 CA VAL A 27 -0.111 -0.246 0.417 1.00 0.00 C ATOM 53 C VAL A 27 0.883 0.762 -0.144 1.00 0.00 C ATOM 54 O VAL A 27 1.806 1.195 0.549 1.00 0.00 O ATOM 55 CB VAL A 27 -1.383 0.494 0.885 1.00 0.00 C ATOM 56 CG1 VAL A 27 -2.434 -0.500 1.349 1.00 0.00 C ATOM 57 CG2 VAL A 27 -1.059 1.488 1.991 1.00 0.00 C ATOM 0 H VAL A 27 0.231 -0.722 2.429 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.395 -0.952 -0.363 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.783 1.052 0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.324 0.038 1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.694 -1.166 0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.039 -1.086 2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.972 1.996 2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.630 0.959 2.842 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.343 2.222 1.622 1.00 0.00 H new ATOM 67 N GLN A 28 0.697 1.137 -1.393 1.00 0.00 N ATOM 68 CA GLN A 28 1.614 2.051 -2.040 1.00 0.00 C ATOM 69 C GLN A 28 0.930 3.361 -2.397 1.00 0.00 C ATOM 70 O GLN A 28 -0.274 3.403 -2.667 1.00 0.00 O ATOM 71 CB GLN A 28 2.221 1.404 -3.288 1.00 0.00 C ATOM 72 CG GLN A 28 2.969 2.390 -4.176 1.00 0.00 C ATOM 73 CD GLN A 28 3.882 1.723 -5.174 1.00 0.00 C ATOM 74 OE1 GLN A 28 4.052 2.208 -6.293 1.00 0.00 O ATOM 75 NE2 GLN A 28 4.509 0.634 -4.769 1.00 0.00 N ATOM 0 H GLN A 28 -0.078 0.824 -1.978 1.00 0.00 H new ATOM 0 HA GLN A 28 2.416 2.275 -1.337 1.00 0.00 H new ATOM 0 HB2 GLN A 28 2.904 0.611 -2.982 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.427 0.934 -3.868 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.246 3.006 -4.711 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.557 3.060 -3.548 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.339 0.266 -3.833 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.164 0.161 -5.392 1.00 0.00 H new ATOM 84 N ILE A 29 1.713 4.428 -2.383 1.00 0.00 N ATOM 85 CA ILE A 29 1.237 5.741 -2.788 1.00 0.00 C ATOM 86 C ILE A 29 1.074 5.776 -4.300 1.00 0.00 C ATOM 87 O ILE A 29 2.060 5.789 -5.039 1.00 0.00 O ATOM 88 CB ILE A 29 2.214 6.868 -2.377 1.00 0.00 C ATOM 89 CG1 ILE A 29 2.622 6.739 -0.906 1.00 0.00 C ATOM 90 CG2 ILE A 29 1.590 8.235 -2.629 1.00 0.00 C ATOM 91 CD1 ILE A 29 1.473 6.891 0.062 1.00 0.00 C ATOM 0 H ILE A 29 2.691 4.409 -2.092 1.00 0.00 H new ATOM 0 HA ILE A 29 0.285 5.910 -2.285 1.00 0.00 H new ATOM 0 HB ILE A 29 3.110 6.770 -2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.088 5.766 -0.752 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.377 7.493 -0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.292 9.015 -2.334 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.357 8.339 -3.689 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.675 8.330 -2.045 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.841 6.787 1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.020 7.875 -0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.727 6.121 -0.135 1.00 0.00 H new ATOM 103 N ASP A 30 -0.167 5.776 -4.750 1.00 0.00 N ATOM 104 CA ASP A 30 -0.468 5.779 -6.175 1.00 0.00 C ATOM 105 C ASP A 30 -0.094 7.128 -6.771 1.00 0.00 C ATOM 106 O ASP A 30 0.670 7.215 -7.740 1.00 0.00 O ATOM 107 CB ASP A 30 -1.954 5.503 -6.387 1.00 0.00 C ATOM 108 CG ASP A 30 -2.298 5.159 -7.823 1.00 0.00 C ATOM 109 OD1 ASP A 30 -1.391 4.768 -8.583 1.00 0.00 O ATOM 110 OD2 ASP A 30 -3.494 5.250 -8.185 1.00 0.00 O ATOM 0 H ASP A 30 -0.990 5.774 -4.147 1.00 0.00 H new ATOM 0 HA ASP A 30 0.110 4.999 -6.671 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.260 4.681 -5.740 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.527 6.379 -6.083 1.00 0.00 H new ATOM 115 N SER A 31 -0.623 8.178 -6.164 1.00 0.00 N ATOM 116 CA SER A 31 -0.310 9.534 -6.578 1.00 0.00 C ATOM 117 C SER A 31 -0.658 10.528 -5.480 1.00 0.00 C ATOM 118 O SER A 31 -1.230 10.160 -4.455 1.00 0.00 O ATOM 119 CB SER A 31 -1.067 9.883 -7.861 1.00 0.00 C ATOM 120 OG SER A 31 -2.460 9.671 -7.707 1.00 0.00 O ATOM 0 H SER A 31 -1.273 8.116 -5.381 1.00 0.00 H new ATOM 0 HA SER A 31 0.761 9.594 -6.770 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.882 10.924 -8.124 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.693 9.275 -8.684 1.00 0.00 H new ATOM 0 HG SER A 31 -2.920 9.903 -8.540 1.00 0.00 H new ATOM 126 N VAL A 32 -0.291 11.777 -5.698 1.00 0.00 N ATOM 127 CA VAL A 32 -0.621 12.863 -4.793 1.00 0.00 C ATOM 128 C VAL A 32 -1.466 13.897 -5.530 1.00 0.00 C ATOM 129 O VAL A 32 -1.061 14.401 -6.581 1.00 0.00 O ATOM 130 CB VAL A 32 0.655 13.543 -4.239 1.00 0.00 C ATOM 131 CG1 VAL A 32 0.300 14.720 -3.341 1.00 0.00 C ATOM 132 CG2 VAL A 32 1.517 12.539 -3.488 1.00 0.00 C ATOM 0 H VAL A 32 0.248 12.069 -6.513 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.179 12.449 -3.953 1.00 0.00 H new ATOM 0 HB VAL A 32 1.227 13.923 -5.085 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.214 15.180 -2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.268 15.455 -3.912 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.301 14.369 -2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.408 13.038 -3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.950 12.124 -2.655 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.811 11.735 -4.163 1.00 0.00 H new ATOM 142 N VAL A 33 -2.637 14.202 -4.994 1.00 0.00 N ATOM 143 CA VAL A 33 -3.544 15.135 -5.636 1.00 0.00 C ATOM 144 C VAL A 33 -3.564 16.465 -4.881 1.00 0.00 C ATOM 145 O VAL A 33 -3.672 16.492 -3.652 1.00 0.00 O ATOM 146 CB VAL A 33 -4.975 14.545 -5.744 1.00 0.00 C ATOM 147 CG1 VAL A 33 -5.520 14.164 -4.374 1.00 0.00 C ATOM 148 CG2 VAL A 33 -5.917 15.519 -6.433 1.00 0.00 C ATOM 0 H VAL A 33 -2.980 13.816 -4.115 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.182 15.315 -6.648 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.910 13.641 -6.349 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.524 13.754 -4.483 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.870 13.417 -3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.557 15.049 -3.738 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.913 15.080 -6.495 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.964 16.446 -5.861 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.550 15.731 -7.437 1.00 0.00 H new ATOM 158 N PRO A 34 -3.416 17.587 -5.605 1.00 0.00 N ATOM 159 CA PRO A 34 -3.429 18.925 -5.007 1.00 0.00 C ATOM 160 C PRO A 34 -4.785 19.276 -4.393 1.00 0.00 C ATOM 161 O PRO A 34 -5.666 19.823 -5.059 1.00 0.00 O ATOM 162 CB PRO A 34 -3.104 19.859 -6.179 1.00 0.00 C ATOM 163 CG PRO A 34 -3.453 19.081 -7.401 1.00 0.00 C ATOM 164 CD PRO A 34 -3.209 17.638 -7.060 1.00 0.00 C ATOM 0 HA PRO A 34 -2.718 19.004 -4.184 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.682 20.782 -6.120 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.051 20.141 -6.178 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.493 19.244 -7.683 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.841 19.390 -8.248 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.900 16.979 -7.587 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.201 17.326 -7.333 1.00 0.00 H new ATOM 172 N GLY A 35 -4.959 18.907 -3.136 1.00 0.00 N ATOM 173 CA GLY A 35 -6.165 19.254 -2.411 1.00 0.00 C ATOM 174 C GLY A 35 -6.000 19.063 -0.918 1.00 0.00 C ATOM 175 O GLY A 35 -6.978 19.052 -0.170 1.00 0.00 O ATOM 0 H GLY A 35 -4.280 18.368 -2.598 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.427 20.292 -2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.992 18.639 -2.767 1.00 0.00 H new ATOM 179 N SER A 36 -4.755 18.909 -0.486 1.00 0.00 N ATOM 180 CA SER A 36 -4.441 18.694 0.918 1.00 0.00 C ATOM 181 C SER A 36 -2.992 19.099 1.196 1.00 0.00 C ATOM 182 O SER A 36 -2.183 19.176 0.266 1.00 0.00 O ATOM 183 CB SER A 36 -4.662 17.228 1.296 1.00 0.00 C ATOM 184 OG SER A 36 -6.011 16.843 1.102 1.00 0.00 O ATOM 0 H SER A 36 -3.939 18.930 -1.097 1.00 0.00 H new ATOM 0 HA SER A 36 -5.104 19.311 1.524 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.011 16.593 0.695 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.384 17.073 2.339 1.00 0.00 H new ATOM 0 HG SER A 36 -6.527 17.610 0.776 1.00 0.00 H new ATOM 190 N PRO A 37 -2.637 19.354 2.472 1.00 0.00 N ATOM 191 CA PRO A 37 -1.283 19.790 2.853 1.00 0.00 C ATOM 192 C PRO A 37 -0.216 18.741 2.542 1.00 0.00 C ATOM 193 O PRO A 37 0.980 19.041 2.517 1.00 0.00 O ATOM 194 CB PRO A 37 -1.372 20.005 4.369 1.00 0.00 C ATOM 195 CG PRO A 37 -2.828 20.071 4.685 1.00 0.00 C ATOM 196 CD PRO A 37 -3.528 19.252 3.641 1.00 0.00 C ATOM 0 HA PRO A 37 -0.988 20.680 2.297 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.891 19.189 4.909 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.866 20.924 4.664 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.027 19.679 5.683 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.182 21.102 4.671 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.655 18.218 3.960 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.522 19.643 3.424 1.00 0.00 H new ATOM 204 N ALA A 38 -0.662 17.513 2.289 1.00 0.00 N ATOM 205 CA ALA A 38 0.235 16.390 2.029 1.00 0.00 C ATOM 206 C ALA A 38 0.992 16.558 0.715 1.00 0.00 C ATOM 207 O ALA A 38 1.993 15.879 0.479 1.00 0.00 O ATOM 208 CB ALA A 38 -0.548 15.087 2.016 1.00 0.00 C ATOM 0 H ALA A 38 -1.652 17.269 2.258 1.00 0.00 H new ATOM 0 HA ALA A 38 0.971 16.365 2.833 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.131 14.257 1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.030 14.943 2.983 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.307 15.126 1.234 1.00 0.00 H new ATOM 214 N SER A 39 0.522 17.482 -0.122 1.00 0.00 N ATOM 215 CA SER A 39 1.108 17.708 -1.443 1.00 0.00 C ATOM 216 C SER A 39 2.539 18.234 -1.344 1.00 0.00 C ATOM 217 O SER A 39 3.272 18.247 -2.334 1.00 0.00 O ATOM 218 CB SER A 39 0.236 18.685 -2.247 1.00 0.00 C ATOM 219 OG SER A 39 0.780 18.926 -3.535 1.00 0.00 O ATOM 0 H SER A 39 -0.268 18.090 0.093 1.00 0.00 H new ATOM 0 HA SER A 39 1.145 16.749 -1.960 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.771 18.279 -2.346 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.148 19.627 -1.705 1.00 0.00 H new ATOM 0 HG SER A 39 1.722 18.654 -3.549 1.00 0.00 H new ATOM 225 N LYS A 40 2.932 18.666 -0.151 1.00 0.00 N ATOM 226 CA LYS A 40 4.278 19.175 0.072 1.00 0.00 C ATOM 227 C LYS A 40 4.915 18.468 1.273 1.00 0.00 C ATOM 228 O LYS A 40 5.817 18.999 1.926 1.00 0.00 O ATOM 229 CB LYS A 40 4.225 20.696 0.281 1.00 0.00 C ATOM 230 CG LYS A 40 5.590 21.368 0.321 1.00 0.00 C ATOM 231 CD LYS A 40 5.472 22.884 0.311 1.00 0.00 C ATOM 232 CE LYS A 40 4.944 23.388 -1.020 1.00 0.00 C ATOM 233 NZ LYS A 40 5.896 23.126 -2.132 1.00 0.00 N ATOM 0 H LYS A 40 2.336 18.673 0.677 1.00 0.00 H new ATOM 0 HA LYS A 40 4.897 18.971 -0.802 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.637 21.141 -0.521 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.702 20.905 1.214 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.126 21.051 1.216 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.180 21.043 -0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.807 23.204 1.113 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.448 23.328 0.509 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.991 22.906 -1.238 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.752 24.459 -0.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.628 23.696 -2.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.859 23.381 -1.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.868 22.117 -2.383 1.00 0.00 H new ATOM 247 N VAL A 41 4.447 17.255 1.551 1.00 0.00 N ATOM 248 CA VAL A 41 4.979 16.473 2.660 1.00 0.00 C ATOM 249 C VAL A 41 5.520 15.129 2.170 1.00 0.00 C ATOM 250 O VAL A 41 6.684 14.800 2.399 1.00 0.00 O ATOM 251 CB VAL A 41 3.920 16.229 3.759 1.00 0.00 C ATOM 252 CG1 VAL A 41 4.530 15.488 4.940 1.00 0.00 C ATOM 253 CG2 VAL A 41 3.306 17.543 4.220 1.00 0.00 C ATOM 0 H VAL A 41 3.704 16.795 1.026 1.00 0.00 H new ATOM 0 HA VAL A 41 5.792 17.057 3.092 1.00 0.00 H new ATOM 0 HB VAL A 41 3.130 15.610 3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.767 15.327 5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.917 14.526 4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.343 16.080 5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.564 17.346 4.993 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.087 18.188 4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.827 18.037 3.375 1.00 0.00 H new ATOM 263 N LEU A 42 4.678 14.363 1.482 1.00 0.00 N ATOM 264 CA LEU A 42 5.070 13.042 1.001 1.00 0.00 C ATOM 265 C LEU A 42 5.229 13.049 -0.514 1.00 0.00 C ATOM 266 O LEU A 42 4.763 13.964 -1.192 1.00 0.00 O ATOM 267 CB LEU A 42 4.041 11.973 1.394 1.00 0.00 C ATOM 268 CG LEU A 42 3.777 11.800 2.895 1.00 0.00 C ATOM 269 CD1 LEU A 42 2.754 12.812 3.389 1.00 0.00 C ATOM 270 CD2 LEU A 42 3.310 10.380 3.191 1.00 0.00 C ATOM 0 H LEU A 42 3.723 14.633 1.246 1.00 0.00 H new ATOM 0 HA LEU A 42 6.024 12.798 1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.096 12.213 0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.373 11.015 0.993 1.00 0.00 H new ATOM 0 HG LEU A 42 4.711 11.978 3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.585 12.667 4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.127 13.821 3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.816 12.673 2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.127 10.273 4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.390 10.178 2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.079 9.672 2.882 1.00 0.00 H new ATOM 282 N THR A 43 5.885 12.024 -1.034 1.00 0.00 N ATOM 283 CA THR A 43 6.058 11.868 -2.465 1.00 0.00 C ATOM 284 C THR A 43 5.358 10.601 -2.957 1.00 0.00 C ATOM 285 O THR A 43 5.306 9.591 -2.247 1.00 0.00 O ATOM 286 CB THR A 43 7.552 11.823 -2.840 1.00 0.00 C ATOM 287 OG1 THR A 43 8.261 10.955 -1.947 1.00 0.00 O ATOM 288 CG2 THR A 43 8.165 13.212 -2.796 1.00 0.00 C ATOM 0 H THR A 43 6.309 11.282 -0.478 1.00 0.00 H new ATOM 0 HA THR A 43 5.606 12.733 -2.951 1.00 0.00 H new ATOM 0 HB THR A 43 7.633 11.439 -3.857 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.209 10.933 -2.196 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.220 13.153 -3.065 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.647 13.861 -3.502 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.069 13.620 -1.790 1.00 0.00 H new ATOM 296 N PRO A 44 4.788 10.642 -4.170 1.00 0.00 N ATOM 297 CA PRO A 44 4.080 9.496 -4.740 1.00 0.00 C ATOM 298 C PRO A 44 5.028 8.380 -5.173 1.00 0.00 C ATOM 299 O PRO A 44 6.172 8.632 -5.563 1.00 0.00 O ATOM 300 CB PRO A 44 3.358 10.094 -5.948 1.00 0.00 C ATOM 301 CG PRO A 44 4.178 11.273 -6.341 1.00 0.00 C ATOM 302 CD PRO A 44 4.789 11.807 -5.074 1.00 0.00 C ATOM 0 HA PRO A 44 3.412 9.027 -4.018 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.287 9.373 -6.762 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.340 10.388 -5.694 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.951 10.988 -7.055 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.562 12.031 -6.824 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.798 12.182 -5.243 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.206 12.632 -4.665 1.00 0.00 H new ATOM 310 N GLY A 45 4.548 7.149 -5.099 1.00 0.00 N ATOM 311 CA GLY A 45 5.365 6.012 -5.476 1.00 0.00 C ATOM 312 C GLY A 45 5.951 5.280 -4.281 1.00 0.00 C ATOM 313 O GLY A 45 6.470 4.172 -4.418 1.00 0.00 O ATOM 0 H GLY A 45 3.606 6.915 -4.784 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.763 5.317 -6.061 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.176 6.352 -6.120 1.00 0.00 H new ATOM 317 N LEU A 46 5.870 5.893 -3.105 1.00 0.00 N ATOM 318 CA LEU A 46 6.416 5.286 -1.895 1.00 0.00 C ATOM 319 C LEU A 46 5.500 4.190 -1.358 1.00 0.00 C ATOM 320 O LEU A 46 4.336 4.094 -1.739 1.00 0.00 O ATOM 321 CB LEU A 46 6.635 6.344 -0.812 1.00 0.00 C ATOM 322 CG LEU A 46 7.654 7.434 -1.155 1.00 0.00 C ATOM 323 CD1 LEU A 46 7.812 8.397 0.012 1.00 0.00 C ATOM 324 CD2 LEU A 46 8.999 6.816 -1.525 1.00 0.00 C ATOM 0 H LEU A 46 5.434 6.804 -2.963 1.00 0.00 H new ATOM 0 HA LEU A 46 7.373 4.838 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.679 6.820 -0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.957 5.843 0.101 1.00 0.00 H new ATOM 0 HG LEU A 46 7.286 7.991 -2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.540 9.166 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.852 8.865 0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.158 7.851 0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.709 7.607 -1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.375 6.234 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.875 6.165 -2.390 1.00 0.00 H new ATOM 336 N VAL A 47 6.038 3.366 -0.471 1.00 0.00 N ATOM 337 CA VAL A 47 5.266 2.303 0.156 1.00 0.00 C ATOM 338 C VAL A 47 5.011 2.645 1.621 1.00 0.00 C ATOM 339 O VAL A 47 5.908 3.129 2.315 1.00 0.00 O ATOM 340 CB VAL A 47 5.992 0.939 0.064 1.00 0.00 C ATOM 341 CG1 VAL A 47 5.132 -0.174 0.647 1.00 0.00 C ATOM 342 CG2 VAL A 47 6.364 0.627 -1.378 1.00 0.00 C ATOM 0 H VAL A 47 7.011 3.414 -0.168 1.00 0.00 H new ATOM 0 HA VAL A 47 4.320 2.220 -0.378 1.00 0.00 H new ATOM 0 HB VAL A 47 6.908 1.003 0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.664 -1.122 0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.921 0.040 1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.195 -0.238 0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.873 -0.336 -1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.461 0.588 -1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.025 1.405 -1.760 1.00 0.00 H new ATOM 352 N ILE A 48 3.787 2.426 2.074 1.00 0.00 N ATOM 353 CA ILE A 48 3.418 2.702 3.457 1.00 0.00 C ATOM 354 C ILE A 48 3.563 1.454 4.320 1.00 0.00 C ATOM 355 O ILE A 48 2.951 0.421 4.040 1.00 0.00 O ATOM 356 CB ILE A 48 1.962 3.201 3.561 1.00 0.00 C ATOM 357 CG1 ILE A 48 1.764 4.470 2.727 1.00 0.00 C ATOM 358 CG2 ILE A 48 1.586 3.453 5.016 1.00 0.00 C ATOM 359 CD1 ILE A 48 0.334 4.970 2.717 1.00 0.00 C ATOM 0 H ILE A 48 3.027 2.056 1.502 1.00 0.00 H new ATOM 0 HA ILE A 48 4.094 3.479 3.815 1.00 0.00 H new ATOM 0 HB ILE A 48 1.306 2.426 3.165 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.412 5.255 3.116 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.079 4.274 1.702 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.556 3.804 5.070 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.684 2.527 5.583 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.249 4.208 5.438 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.268 5.871 2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.317 4.201 2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.021 5.198 3.736 1.00 0.00 H new ATOM 371 N GLU A 49 4.370 1.551 5.373 1.00 0.00 N ATOM 372 CA GLU A 49 4.500 0.463 6.330 1.00 0.00 C ATOM 373 C GLU A 49 3.334 0.458 7.311 1.00 0.00 C ATOM 374 O GLU A 49 2.758 -0.593 7.598 1.00 0.00 O ATOM 375 CB GLU A 49 5.811 0.556 7.114 1.00 0.00 C ATOM 376 CG GLU A 49 6.935 -0.306 6.559 1.00 0.00 C ATOM 377 CD GLU A 49 7.505 0.211 5.256 1.00 0.00 C ATOM 378 OE1 GLU A 49 8.073 1.319 5.259 1.00 0.00 O ATOM 379 OE2 GLU A 49 7.425 -0.509 4.241 1.00 0.00 O ATOM 0 H GLU A 49 4.941 2.370 5.582 1.00 0.00 H new ATOM 0 HA GLU A 49 4.498 -0.464 5.757 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.139 1.595 7.128 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.624 0.267 8.148 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.734 -0.366 7.298 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.564 -1.320 6.407 1.00 0.00 H new ATOM 386 N SER A 50 2.980 1.636 7.827 1.00 0.00 N ATOM 387 CA SER A 50 1.959 1.722 8.859 1.00 0.00 C ATOM 388 C SER A 50 1.535 3.156 9.099 1.00 0.00 C ATOM 389 O SER A 50 2.245 4.096 8.733 1.00 0.00 O ATOM 390 CB SER A 50 2.484 1.106 10.159 1.00 0.00 C ATOM 391 OG SER A 50 3.767 1.618 10.481 1.00 0.00 O ATOM 0 H SER A 50 3.382 2.531 7.548 1.00 0.00 H new ATOM 0 HA SER A 50 1.085 1.167 8.519 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.790 1.317 10.972 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.536 0.022 10.057 1.00 0.00 H new ATOM 0 HG SER A 50 4.081 1.212 11.316 1.00 0.00 H new ATOM 397 N ILE A 51 0.374 3.317 9.713 1.00 0.00 N ATOM 398 CA ILE A 51 -0.119 4.639 10.050 1.00 0.00 C ATOM 399 C ILE A 51 -0.690 4.670 11.469 1.00 0.00 C ATOM 400 O ILE A 51 -1.577 3.889 11.817 1.00 0.00 O ATOM 401 CB ILE A 51 -1.175 5.138 9.034 1.00 0.00 C ATOM 402 CG1 ILE A 51 -1.530 6.593 9.317 1.00 0.00 C ATOM 403 CG2 ILE A 51 -2.431 4.277 9.045 1.00 0.00 C ATOM 404 CD1 ILE A 51 -2.625 7.134 8.426 1.00 0.00 C ATOM 0 H ILE A 51 -0.241 2.551 9.987 1.00 0.00 H new ATOM 0 HA ILE A 51 0.734 5.317 10.004 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.735 5.060 8.040 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.841 6.687 10.358 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.637 7.206 9.194 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -3.144 4.664 8.317 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.171 3.250 8.787 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.879 4.299 10.039 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.824 8.174 8.685 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.310 7.073 7.384 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.532 6.545 8.566 1.00 0.00 H new ATOM 416 N ASN A 52 -0.131 5.549 12.295 1.00 0.00 N ATOM 417 CA ASN A 52 -0.610 5.771 13.666 1.00 0.00 C ATOM 418 C ASN A 52 -0.568 4.502 14.513 1.00 0.00 C ATOM 419 O ASN A 52 -1.279 4.393 15.512 1.00 0.00 O ATOM 420 CB ASN A 52 -2.038 6.322 13.652 1.00 0.00 C ATOM 421 CG ASN A 52 -2.103 7.777 13.235 1.00 0.00 C ATOM 422 OD1 ASN A 52 -2.111 8.096 12.050 1.00 0.00 O ATOM 423 ND2 ASN A 52 -2.175 8.671 14.208 1.00 0.00 N ATOM 0 H ASN A 52 0.667 6.130 12.038 1.00 0.00 H new ATOM 0 HA ASN A 52 0.066 6.497 14.118 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.646 5.726 12.971 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.474 6.214 14.645 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.240 9.664 13.984 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.166 8.367 15.182 1.00 0.00 H new ATOM 430 N GLY A 53 0.272 3.556 14.128 1.00 0.00 N ATOM 431 CA GLY A 53 0.381 2.317 14.872 1.00 0.00 C ATOM 432 C GLY A 53 -0.298 1.161 14.171 1.00 0.00 C ATOM 433 O GLY A 53 0.069 0.002 14.370 1.00 0.00 O ATOM 0 H GLY A 53 0.882 3.622 13.313 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.434 2.079 15.023 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.061 2.449 15.860 1.00 0.00 H new ATOM 437 N MET A 54 -1.293 1.473 13.354 1.00 0.00 N ATOM 438 CA MET A 54 -1.991 0.455 12.582 1.00 0.00 C ATOM 439 C MET A 54 -1.331 0.303 11.219 1.00 0.00 C ATOM 440 O MET A 54 -1.361 1.221 10.398 1.00 0.00 O ATOM 441 CB MET A 54 -3.475 0.800 12.406 1.00 0.00 C ATOM 442 CG MET A 54 -4.275 0.792 13.700 1.00 0.00 C ATOM 443 SD MET A 54 -3.945 2.222 14.746 1.00 0.00 S ATOM 444 CE MET A 54 -4.582 3.541 13.716 1.00 0.00 C ATOM 0 H MET A 54 -1.635 2.423 13.208 1.00 0.00 H new ATOM 0 HA MET A 54 -1.929 -0.485 13.130 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.555 1.786 11.948 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.922 0.089 11.711 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.338 0.761 13.462 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.046 -0.117 14.256 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.716 4.440 14.318 1.00 0.00 H new ATOM 0 HE2 MET A 54 -3.878 3.745 12.910 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.541 3.242 13.293 1.00 0.00 H new ATOM 454 N PRO A 55 -0.703 -0.847 10.960 1.00 0.00 N ATOM 455 CA PRO A 55 -0.017 -1.086 9.700 1.00 0.00 C ATOM 456 C PRO A 55 -0.977 -1.428 8.570 1.00 0.00 C ATOM 457 O PRO A 55 -1.818 -2.321 8.690 1.00 0.00 O ATOM 458 CB PRO A 55 0.898 -2.257 10.015 1.00 0.00 C ATOM 459 CG PRO A 55 0.191 -3.016 11.086 1.00 0.00 C ATOM 460 CD PRO A 55 -0.611 -2.003 11.869 1.00 0.00 C ATOM 0 HA PRO A 55 0.515 -0.202 9.348 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.064 -2.877 9.134 1.00 0.00 H new ATOM 0 HB3 PRO A 55 1.876 -1.915 10.353 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.459 -3.778 10.657 1.00 0.00 H new ATOM 0 HG3 PRO A 55 0.903 -3.531 11.732 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.598 -2.388 12.128 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.117 -1.738 12.804 1.00 0.00 H new ATOM 468 N THR A 56 -0.845 -0.710 7.472 1.00 0.00 N ATOM 469 CA THR A 56 -1.719 -0.897 6.335 1.00 0.00 C ATOM 470 C THR A 56 -1.135 -1.910 5.357 1.00 0.00 C ATOM 471 O THR A 56 -0.499 -1.543 4.367 1.00 0.00 O ATOM 472 CB THR A 56 -1.975 0.434 5.618 1.00 0.00 C ATOM 473 OG1 THR A 56 -0.729 1.105 5.386 1.00 0.00 O ATOM 474 CG2 THR A 56 -2.889 1.324 6.443 1.00 0.00 C ATOM 0 H THR A 56 -0.136 0.012 7.345 1.00 0.00 H new ATOM 0 HA THR A 56 -2.668 -1.282 6.709 1.00 0.00 H new ATOM 0 HB THR A 56 -2.462 0.226 4.665 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.118 0.505 4.910 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.057 2.263 5.915 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.843 0.820 6.600 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.424 1.528 7.407 1.00 0.00 H new ATOM 482 N SER A 57 -1.321 -3.183 5.663 1.00 0.00 N ATOM 483 CA SER A 57 -0.844 -4.251 4.803 1.00 0.00 C ATOM 484 C SER A 57 -1.816 -4.490 3.650 1.00 0.00 C ATOM 485 O SER A 57 -1.458 -5.087 2.635 1.00 0.00 O ATOM 486 CB SER A 57 -0.670 -5.531 5.614 1.00 0.00 C ATOM 487 OG SER A 57 0.073 -5.284 6.797 1.00 0.00 O ATOM 0 H SER A 57 -1.801 -3.502 6.504 1.00 0.00 H new ATOM 0 HA SER A 57 0.119 -3.957 4.386 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.648 -5.938 5.872 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.161 -6.282 5.010 1.00 0.00 H new ATOM 0 HG SER A 57 0.171 -6.118 7.302 1.00 0.00 H new ATOM 493 N ASN A 58 -3.043 -4.012 3.813 1.00 0.00 N ATOM 494 CA ASN A 58 -4.076 -4.193 2.805 1.00 0.00 C ATOM 495 C ASN A 58 -4.870 -2.908 2.648 1.00 0.00 C ATOM 496 O ASN A 58 -4.804 -2.021 3.503 1.00 0.00 O ATOM 497 CB ASN A 58 -5.031 -5.334 3.185 1.00 0.00 C ATOM 498 CG ASN A 58 -4.344 -6.681 3.276 1.00 0.00 C ATOM 499 OD1 ASN A 58 -4.236 -7.407 2.288 1.00 0.00 O ATOM 500 ND2 ASN A 58 -3.894 -7.032 4.468 1.00 0.00 N ATOM 0 H ASN A 58 -3.346 -3.494 4.638 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.588 -4.449 1.865 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.497 -5.105 4.144 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.831 -5.390 2.447 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.437 -7.935 4.595 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.004 -6.400 5.261 1.00 0.00 H new ATOM 507 N LEU A 59 -5.630 -2.813 1.567 1.00 0.00 N ATOM 508 CA LEU A 59 -6.463 -1.657 1.321 1.00 0.00 C ATOM 509 C LEU A 59 -7.608 -1.599 2.324 1.00 0.00 C ATOM 510 O LEU A 59 -8.013 -0.522 2.759 1.00 0.00 O ATOM 511 CB LEU A 59 -6.998 -1.712 -0.107 1.00 0.00 C ATOM 512 CG LEU A 59 -5.967 -1.429 -1.200 1.00 0.00 C ATOM 513 CD1 LEU A 59 -6.593 -1.565 -2.579 1.00 0.00 C ATOM 514 CD2 LEU A 59 -5.373 -0.042 -1.021 1.00 0.00 C ATOM 0 H LEU A 59 -5.683 -3.531 0.845 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.866 -0.753 1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.425 -2.700 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.811 -0.992 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.167 -2.164 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.842 -1.359 -3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.973 -2.579 -2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.414 -0.855 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.641 0.144 -1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.166 0.704 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.886 0.022 -0.048 1.00 0.00 H new ATOM 526 N THR A 60 -8.108 -2.769 2.698 1.00 0.00 N ATOM 527 CA THR A 60 -9.153 -2.881 3.704 1.00 0.00 C ATOM 528 C THR A 60 -8.661 -2.345 5.050 1.00 0.00 C ATOM 529 O THR A 60 -9.415 -1.735 5.806 1.00 0.00 O ATOM 530 CB THR A 60 -9.572 -4.353 3.865 1.00 0.00 C ATOM 531 OG1 THR A 60 -9.515 -5.009 2.591 1.00 0.00 O ATOM 532 CG2 THR A 60 -10.977 -4.464 4.430 1.00 0.00 C ATOM 0 H THR A 60 -7.802 -3.663 2.314 1.00 0.00 H new ATOM 0 HA THR A 60 -10.009 -2.291 3.377 1.00 0.00 H new ATOM 0 HB THR A 60 -8.884 -4.831 4.562 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.780 -5.947 2.694 1.00 0.00 H new ATOM 0 HG21 THR A 60 -11.246 -5.515 4.533 1.00 0.00 H new ATOM 0 HG22 THR A 60 -11.015 -3.982 5.407 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.680 -3.974 3.756 1.00 0.00 H new ATOM 540 N THR A 61 -7.380 -2.563 5.331 1.00 0.00 N ATOM 541 CA THR A 61 -6.772 -2.078 6.557 1.00 0.00 C ATOM 542 C THR A 61 -6.722 -0.554 6.558 1.00 0.00 C ATOM 543 O THR A 61 -7.034 0.089 7.557 1.00 0.00 O ATOM 544 CB THR A 61 -5.356 -2.630 6.719 1.00 0.00 C ATOM 545 OG1 THR A 61 -5.264 -3.923 6.100 1.00 0.00 O ATOM 546 CG2 THR A 61 -4.979 -2.736 8.189 1.00 0.00 C ATOM 0 H THR A 61 -6.744 -3.075 4.720 1.00 0.00 H new ATOM 0 HA THR A 61 -7.383 -2.422 7.391 1.00 0.00 H new ATOM 0 HB THR A 61 -4.662 -1.943 6.234 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.354 -4.272 6.205 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.967 -3.131 8.278 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.024 -1.749 8.648 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.675 -3.404 8.696 1.00 0.00 H new ATOM 554 N TYR A 62 -6.344 0.016 5.418 1.00 0.00 N ATOM 555 CA TYR A 62 -6.303 1.463 5.258 1.00 0.00 C ATOM 556 C TYR A 62 -7.712 2.032 5.380 1.00 0.00 C ATOM 557 O TYR A 62 -7.921 3.101 5.948 1.00 0.00 O ATOM 558 CB TYR A 62 -5.702 1.823 3.893 1.00 0.00 C ATOM 559 CG TYR A 62 -5.331 3.285 3.734 1.00 0.00 C ATOM 560 CD1 TYR A 62 -6.275 4.232 3.354 1.00 0.00 C ATOM 561 CD2 TYR A 62 -4.027 3.713 3.953 1.00 0.00 C ATOM 562 CE1 TYR A 62 -5.930 5.564 3.198 1.00 0.00 C ATOM 563 CE2 TYR A 62 -3.676 5.041 3.801 1.00 0.00 C ATOM 564 CZ TYR A 62 -4.629 5.963 3.425 1.00 0.00 C ATOM 565 OH TYR A 62 -4.278 7.284 3.264 1.00 0.00 O ATOM 0 H TYR A 62 -6.061 -0.506 4.589 1.00 0.00 H new ATOM 0 HA TYR A 62 -5.677 1.894 6.039 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -4.811 1.216 3.731 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.416 1.556 3.114 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -7.295 3.924 3.177 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -3.275 2.996 4.247 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -6.675 6.287 2.900 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.658 5.355 3.976 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.879 7.849 3.793 1.00 0.00 H new ATOM 575 N SER A 63 -8.672 1.292 4.844 1.00 0.00 N ATOM 576 CA SER A 63 -10.069 1.657 4.904 1.00 0.00 C ATOM 577 C SER A 63 -10.564 1.734 6.349 1.00 0.00 C ATOM 578 O SER A 63 -11.160 2.732 6.761 1.00 0.00 O ATOM 579 CB SER A 63 -10.861 0.625 4.121 1.00 0.00 C ATOM 580 OG SER A 63 -10.505 0.636 2.745 1.00 0.00 O ATOM 0 H SER A 63 -8.496 0.416 4.353 1.00 0.00 H new ATOM 0 HA SER A 63 -10.205 2.647 4.469 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.682 -0.366 4.537 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.927 0.826 4.225 1.00 0.00 H new ATOM 0 HG SER A 63 -9.644 0.182 2.626 1.00 0.00 H new ATOM 586 N ALA A 64 -10.302 0.679 7.109 1.00 0.00 N ATOM 587 CA ALA A 64 -10.708 0.619 8.509 1.00 0.00 C ATOM 588 C ALA A 64 -10.019 1.706 9.324 1.00 0.00 C ATOM 589 O ALA A 64 -10.599 2.262 10.255 1.00 0.00 O ATOM 590 CB ALA A 64 -10.410 -0.755 9.091 1.00 0.00 C ATOM 0 H ALA A 64 -9.808 -0.150 6.779 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.783 0.791 8.558 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.719 -0.782 10.136 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.957 -1.514 8.531 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.341 -0.955 9.024 1.00 0.00 H new ATOM 596 N ALA A 65 -8.784 2.020 8.949 1.00 0.00 N ATOM 597 CA ALA A 65 -8.013 3.039 9.644 1.00 0.00 C ATOM 598 C ALA A 65 -8.554 4.423 9.318 1.00 0.00 C ATOM 599 O ALA A 65 -8.686 5.273 10.197 1.00 0.00 O ATOM 600 CB ALA A 65 -6.539 2.938 9.274 1.00 0.00 C ATOM 0 H ALA A 65 -8.297 1.582 8.167 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.107 2.875 10.717 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.977 3.708 9.803 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.160 1.955 9.554 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.423 3.079 8.199 1.00 0.00 H new ATOM 606 N LEU A 66 -8.893 4.625 8.051 1.00 0.00 N ATOM 607 CA LEU A 66 -9.439 5.892 7.579 1.00 0.00 C ATOM 608 C LEU A 66 -10.702 6.245 8.357 1.00 0.00 C ATOM 609 O LEU A 66 -10.928 7.401 8.706 1.00 0.00 O ATOM 610 CB LEU A 66 -9.757 5.792 6.083 1.00 0.00 C ATOM 611 CG LEU A 66 -9.492 7.057 5.254 1.00 0.00 C ATOM 612 CD1 LEU A 66 -9.651 6.758 3.772 1.00 0.00 C ATOM 613 CD2 LEU A 66 -10.421 8.192 5.661 1.00 0.00 C ATOM 0 H LEU A 66 -8.798 3.917 7.323 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.700 6.677 7.738 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.171 4.975 5.661 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.807 5.522 5.972 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.467 7.374 5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.460 7.663 3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.941 5.985 3.479 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.666 6.411 3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.207 9.072 5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.456 7.888 5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.266 8.430 6.713 1.00 0.00 H new ATOM 625 N LYS A 67 -11.514 5.231 8.635 1.00 0.00 N ATOM 626 CA LYS A 67 -12.753 5.421 9.386 1.00 0.00 C ATOM 627 C LYS A 67 -12.492 6.009 10.772 1.00 0.00 C ATOM 628 O LYS A 67 -13.242 6.861 11.244 1.00 0.00 O ATOM 629 CB LYS A 67 -13.511 4.102 9.528 1.00 0.00 C ATOM 630 CG LYS A 67 -14.010 3.537 8.212 1.00 0.00 C ATOM 631 CD LYS A 67 -14.933 2.356 8.442 1.00 0.00 C ATOM 632 CE LYS A 67 -15.458 1.796 7.131 1.00 0.00 C ATOM 633 NZ LYS A 67 -16.496 0.754 7.351 1.00 0.00 N ATOM 0 H LYS A 67 -11.338 4.267 8.352 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.360 6.128 8.821 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.859 3.369 10.003 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.361 4.252 10.194 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.537 4.312 7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.162 3.227 7.601 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.399 1.576 8.984 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.770 2.664 9.069 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.876 2.605 6.532 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.632 1.371 6.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.829 0.397 6.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.090 -0.030 7.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.296 1.165 7.873 1.00 0.00 H new ATOM 647 N THR A 68 -11.428 5.559 11.423 1.00 0.00 N ATOM 648 CA THR A 68 -11.108 6.035 12.761 1.00 0.00 C ATOM 649 C THR A 68 -10.457 7.420 12.736 1.00 0.00 C ATOM 650 O THR A 68 -10.378 8.093 13.767 1.00 0.00 O ATOM 651 CB THR A 68 -10.212 5.038 13.529 1.00 0.00 C ATOM 652 OG1 THR A 68 -9.114 4.593 12.716 1.00 0.00 O ATOM 653 CG2 THR A 68 -11.021 3.835 13.991 1.00 0.00 C ATOM 0 H THR A 68 -10.776 4.870 11.049 1.00 0.00 H new ATOM 0 HA THR A 68 -12.057 6.117 13.291 1.00 0.00 H new ATOM 0 HB THR A 68 -9.814 5.560 14.399 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.067 5.139 11.903 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.372 3.145 14.530 1.00 0.00 H new ATOM 0 HG22 THR A 68 -11.823 4.167 14.650 1.00 0.00 H new ATOM 0 HG23 THR A 68 -11.448 3.330 13.125 1.00 0.00 H new ATOM 661 N ILE A 69 -10.011 7.853 11.562 1.00 0.00 N ATOM 662 CA ILE A 69 -9.372 9.158 11.421 1.00 0.00 C ATOM 663 C ILE A 69 -10.417 10.274 11.469 1.00 0.00 C ATOM 664 O ILE A 69 -11.530 10.111 10.961 1.00 0.00 O ATOM 665 CB ILE A 69 -8.577 9.258 10.099 1.00 0.00 C ATOM 666 CG1 ILE A 69 -7.590 8.093 9.966 1.00 0.00 C ATOM 667 CG2 ILE A 69 -7.841 10.586 10.009 1.00 0.00 C ATOM 668 CD1 ILE A 69 -6.612 7.972 11.115 1.00 0.00 C ATOM 0 H ILE A 69 -10.080 7.321 10.695 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.678 9.272 12.253 1.00 0.00 H new ATOM 0 HB ILE A 69 -9.289 9.202 9.276 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.152 7.163 9.883 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.030 8.210 9.038 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -7.289 10.633 9.070 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.560 11.404 10.048 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.146 10.674 10.844 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.950 7.123 10.942 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.020 8.885 11.187 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.160 7.821 12.045 1.00 0.00 H new ATOM 680 N SER A 70 -10.065 11.393 12.093 1.00 0.00 N ATOM 681 CA SER A 70 -10.970 12.531 12.202 1.00 0.00 C ATOM 682 C SER A 70 -10.600 13.623 11.193 1.00 0.00 C ATOM 683 O SER A 70 -9.532 13.575 10.575 1.00 0.00 O ATOM 684 CB SER A 70 -10.912 13.096 13.621 1.00 0.00 C ATOM 685 OG SER A 70 -10.887 12.052 14.579 1.00 0.00 O ATOM 0 H SER A 70 -9.156 11.536 12.532 1.00 0.00 H new ATOM 0 HA SER A 70 -11.982 12.191 11.983 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.025 13.719 13.733 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.776 13.737 13.798 1.00 0.00 H new ATOM 0 HG SER A 70 -9.970 11.925 14.901 1.00 0.00 H new ATOM 691 N VAL A 71 -11.482 14.605 11.040 1.00 0.00 N ATOM 692 CA VAL A 71 -11.252 15.721 10.136 1.00 0.00 C ATOM 693 C VAL A 71 -10.373 16.772 10.806 1.00 0.00 C ATOM 694 O VAL A 71 -10.714 17.291 11.871 1.00 0.00 O ATOM 695 CB VAL A 71 -12.582 16.381 9.714 1.00 0.00 C ATOM 696 CG1 VAL A 71 -12.346 17.375 8.590 1.00 0.00 C ATOM 697 CG2 VAL A 71 -13.613 15.332 9.304 1.00 0.00 C ATOM 0 H VAL A 71 -12.371 14.648 11.537 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.753 15.328 9.250 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.982 16.919 10.574 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.293 17.832 8.304 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.657 18.149 8.928 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.918 16.858 7.731 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.539 15.827 9.012 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.230 14.754 8.463 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.807 14.665 10.144 1.00 0.00 H new ATOM 707 N GLY A 72 -9.240 17.080 10.190 1.00 0.00 N ATOM 708 CA GLY A 72 -8.340 18.067 10.751 1.00 0.00 C ATOM 709 C GLY A 72 -7.435 17.468 11.803 1.00 0.00 C ATOM 710 O GLY A 72 -6.966 18.162 12.705 1.00 0.00 O ATOM 0 H GLY A 72 -8.928 16.664 9.312 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.735 18.501 9.955 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.919 18.879 11.190 1.00 0.00 H new ATOM 714 N GLU A 73 -7.200 16.170 11.693 1.00 0.00 N ATOM 715 CA GLU A 73 -6.347 15.470 12.636 1.00 0.00 C ATOM 716 C GLU A 73 -5.013 15.158 11.976 1.00 0.00 C ATOM 717 O GLU A 73 -4.933 15.041 10.754 1.00 0.00 O ATOM 718 CB GLU A 73 -7.016 14.180 13.109 1.00 0.00 C ATOM 719 CG GLU A 73 -6.512 13.700 14.460 1.00 0.00 C ATOM 720 CD GLU A 73 -6.984 12.305 14.812 1.00 0.00 C ATOM 721 OE1 GLU A 73 -8.198 12.021 14.704 1.00 0.00 O ATOM 722 OE2 GLU A 73 -6.139 11.486 15.224 1.00 0.00 O ATOM 0 H GLU A 73 -7.590 15.580 10.958 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.181 16.107 13.505 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.093 14.338 13.166 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.847 13.399 12.368 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.422 13.719 14.461 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.844 14.394 15.232 1.00 0.00 H new ATOM 729 N VAL A 74 -3.970 15.037 12.777 1.00 0.00 N ATOM 730 CA VAL A 74 -2.643 14.761 12.255 1.00 0.00 C ATOM 731 C VAL A 74 -2.337 13.273 12.359 1.00 0.00 C ATOM 732 O VAL A 74 -2.228 12.726 13.456 1.00 0.00 O ATOM 733 CB VAL A 74 -1.559 15.564 13.006 1.00 0.00 C ATOM 734 CG1 VAL A 74 -0.203 15.384 12.344 1.00 0.00 C ATOM 735 CG2 VAL A 74 -1.929 17.037 13.076 1.00 0.00 C ATOM 0 H VAL A 74 -4.016 15.125 13.792 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.631 15.067 11.209 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.497 15.180 14.024 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.547 15.958 12.889 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.070 14.329 12.354 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.252 15.736 11.314 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.151 17.583 13.609 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.025 17.436 12.066 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.877 17.149 13.602 1.00 0.00 H new ATOM 745 N ILE A 75 -2.211 12.624 11.213 1.00 0.00 N ATOM 746 CA ILE A 75 -1.940 11.198 11.167 1.00 0.00 C ATOM 747 C ILE A 75 -0.466 10.953 10.873 1.00 0.00 C ATOM 748 O ILE A 75 0.198 11.789 10.262 1.00 0.00 O ATOM 749 CB ILE A 75 -2.814 10.492 10.109 1.00 0.00 C ATOM 750 CG1 ILE A 75 -2.460 10.981 8.697 1.00 0.00 C ATOM 751 CG2 ILE A 75 -4.284 10.731 10.414 1.00 0.00 C ATOM 752 CD1 ILE A 75 -3.421 10.522 7.620 1.00 0.00 C ATOM 0 H ILE A 75 -2.293 13.066 10.297 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.188 10.779 12.142 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.619 9.420 10.147 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.429 12.071 8.700 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.458 10.634 8.445 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.897 10.231 9.664 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.520 10.333 11.401 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.490 11.801 10.396 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.098 10.911 6.654 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.436 9.433 7.586 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.422 10.892 7.844 1.00 0.00 H new ATOM 764 N ASN A 76 0.038 9.805 11.292 1.00 0.00 N ATOM 765 CA ASN A 76 1.464 9.519 11.198 1.00 0.00 C ATOM 766 C ASN A 76 1.722 8.297 10.321 1.00 0.00 C ATOM 767 O ASN A 76 1.500 7.158 10.734 1.00 0.00 O ATOM 768 CB ASN A 76 2.046 9.315 12.603 1.00 0.00 C ATOM 769 CG ASN A 76 3.514 8.922 12.605 1.00 0.00 C ATOM 770 OD1 ASN A 76 4.400 9.772 12.505 1.00 0.00 O ATOM 771 ND2 ASN A 76 3.782 7.636 12.775 1.00 0.00 N ATOM 0 H ASN A 76 -0.517 9.054 11.701 1.00 0.00 H new ATOM 0 HA ASN A 76 1.960 10.370 10.730 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.925 10.235 13.174 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.472 8.544 13.116 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.750 7.319 12.827 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.020 6.962 12.854 1.00 0.00 H new ATOM 778 N ILE A 77 2.197 8.556 9.113 1.00 0.00 N ATOM 779 CA ILE A 77 2.450 7.514 8.125 1.00 0.00 C ATOM 780 C ILE A 77 3.939 7.219 8.035 1.00 0.00 C ATOM 781 O ILE A 77 4.750 8.086 7.708 1.00 0.00 O ATOM 782 CB ILE A 77 1.930 7.933 6.730 1.00 0.00 C ATOM 783 CG1 ILE A 77 0.431 8.250 6.786 1.00 0.00 C ATOM 784 CG2 ILE A 77 2.206 6.845 5.707 1.00 0.00 C ATOM 785 CD1 ILE A 77 -0.143 8.736 5.472 1.00 0.00 C ATOM 0 H ILE A 77 2.419 9.497 8.787 1.00 0.00 H new ATOM 0 HA ILE A 77 1.919 6.618 8.446 1.00 0.00 H new ATOM 0 HB ILE A 77 2.461 8.834 6.424 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.108 7.355 7.098 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.258 9.009 7.549 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.833 7.159 4.732 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.280 6.668 5.645 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.704 5.926 6.009 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.207 8.939 5.593 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.368 9.649 5.167 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.004 7.970 4.709 1.00 0.00 H new ATOM 797 N THR A 78 4.295 5.989 8.339 1.00 0.00 N ATOM 798 CA THR A 78 5.669 5.556 8.242 1.00 0.00 C ATOM 799 C THR A 78 5.898 4.877 6.901 1.00 0.00 C ATOM 800 O THR A 78 5.299 3.841 6.612 1.00 0.00 O ATOM 801 CB THR A 78 6.018 4.588 9.381 1.00 0.00 C ATOM 802 OG1 THR A 78 5.598 5.153 10.630 1.00 0.00 O ATOM 803 CG2 THR A 78 7.515 4.317 9.420 1.00 0.00 C ATOM 0 H THR A 78 3.646 5.269 8.657 1.00 0.00 H new ATOM 0 HA THR A 78 6.314 6.431 8.324 1.00 0.00 H new ATOM 0 HB THR A 78 5.501 3.644 9.208 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.818 4.536 11.359 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.739 3.629 10.235 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.829 3.875 8.475 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.050 5.253 9.578 1.00 0.00 H new ATOM 811 N THR A 79 6.739 5.478 6.076 1.00 0.00 N ATOM 812 CA THR A 79 7.037 4.933 4.765 1.00 0.00 C ATOM 813 C THR A 79 8.471 4.430 4.713 1.00 0.00 C ATOM 814 O THR A 79 9.264 4.691 5.623 1.00 0.00 O ATOM 815 CB THR A 79 6.830 5.983 3.650 1.00 0.00 C ATOM 816 OG1 THR A 79 7.703 7.106 3.853 1.00 0.00 O ATOM 817 CG2 THR A 79 5.384 6.458 3.606 1.00 0.00 C ATOM 0 H THR A 79 7.228 6.346 6.293 1.00 0.00 H new ATOM 0 HA THR A 79 6.348 4.106 4.596 1.00 0.00 H new ATOM 0 HB THR A 79 7.068 5.510 2.697 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.055 7.086 4.768 1.00 0.00 H new ATOM 0 HG21 THR A 79 5.267 7.196 2.812 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.728 5.609 3.412 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.120 6.909 4.563 1.00 0.00 H new ATOM 825 N ASP A 80 8.798 3.722 3.643 1.00 0.00 N ATOM 826 CA ASP A 80 10.141 3.188 3.448 1.00 0.00 C ATOM 827 C ASP A 80 11.173 4.313 3.360 1.00 0.00 C ATOM 828 O ASP A 80 12.345 4.126 3.683 1.00 0.00 O ATOM 829 CB ASP A 80 10.188 2.335 2.177 1.00 0.00 C ATOM 830 CG ASP A 80 11.555 1.726 1.939 1.00 0.00 C ATOM 831 OD1 ASP A 80 11.846 0.665 2.532 1.00 0.00 O ATOM 832 OD2 ASP A 80 12.342 2.304 1.161 1.00 0.00 O ATOM 0 H ASP A 80 8.147 3.501 2.889 1.00 0.00 H new ATOM 0 HA ASP A 80 10.387 2.566 4.309 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.447 1.539 2.249 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.913 2.950 1.320 1.00 0.00 H new ATOM 837 N GLN A 81 10.725 5.495 2.947 1.00 0.00 N ATOM 838 CA GLN A 81 11.630 6.618 2.757 1.00 0.00 C ATOM 839 C GLN A 81 11.606 7.556 3.967 1.00 0.00 C ATOM 840 O GLN A 81 12.143 8.662 3.926 1.00 0.00 O ATOM 841 CB GLN A 81 11.269 7.364 1.465 1.00 0.00 C ATOM 842 CG GLN A 81 12.314 8.373 1.010 1.00 0.00 C ATOM 843 CD GLN A 81 13.678 7.752 0.757 1.00 0.00 C ATOM 844 OE1 GLN A 81 14.709 8.400 0.947 1.00 0.00 O ATOM 845 NE2 GLN A 81 13.699 6.502 0.322 1.00 0.00 N ATOM 0 H GLN A 81 9.747 5.697 2.739 1.00 0.00 H new ATOM 0 HA GLN A 81 12.647 6.237 2.665 1.00 0.00 H new ATOM 0 HB2 GLN A 81 11.115 6.635 0.670 1.00 0.00 H new ATOM 0 HB3 GLN A 81 10.321 7.882 1.611 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.968 8.858 0.097 1.00 0.00 H new ATOM 0 HG3 GLN A 81 12.411 9.151 1.767 1.00 0.00 H new ATOM 0 HE21 GLN A 81 12.824 5.998 0.177 1.00 0.00 H new ATOM 0 HE22 GLN A 81 14.590 6.043 0.132 1.00 0.00 H new ATOM 854 N GLY A 82 10.996 7.103 5.051 1.00 0.00 N ATOM 855 CA GLY A 82 10.995 7.887 6.273 1.00 0.00 C ATOM 856 C GLY A 82 9.631 7.958 6.930 1.00 0.00 C ATOM 857 O GLY A 82 8.642 7.459 6.390 1.00 0.00 O ATOM 0 H GLY A 82 10.503 6.212 5.109 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.708 7.456 6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.338 8.897 6.050 1.00 0.00 H new ATOM 861 N THR A 83 9.581 8.591 8.089 1.00 0.00 N ATOM 862 CA THR A 83 8.349 8.733 8.844 1.00 0.00 C ATOM 863 C THR A 83 7.823 10.163 8.724 1.00 0.00 C ATOM 864 O THR A 83 8.512 11.115 9.095 1.00 0.00 O ATOM 865 CB THR A 83 8.580 8.395 10.331 1.00 0.00 C ATOM 866 OG1 THR A 83 9.280 7.147 10.445 1.00 0.00 O ATOM 867 CG2 THR A 83 7.260 8.308 11.081 1.00 0.00 C ATOM 0 H THR A 83 10.393 9.021 8.533 1.00 0.00 H new ATOM 0 HA THR A 83 7.615 8.039 8.434 1.00 0.00 H new ATOM 0 HB THR A 83 9.178 9.193 10.772 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.425 6.939 11.392 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.451 8.069 12.127 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.741 9.264 11.017 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.640 7.529 10.638 1.00 0.00 H new ATOM 875 N PHE A 84 6.617 10.312 8.194 1.00 0.00 N ATOM 876 CA PHE A 84 6.024 11.629 8.021 1.00 0.00 C ATOM 877 C PHE A 84 4.649 11.675 8.665 1.00 0.00 C ATOM 878 O PHE A 84 3.972 10.656 8.774 1.00 0.00 O ATOM 879 CB PHE A 84 5.900 11.979 6.536 1.00 0.00 C ATOM 880 CG PHE A 84 7.186 11.849 5.761 1.00 0.00 C ATOM 881 CD1 PHE A 84 8.141 12.852 5.803 1.00 0.00 C ATOM 882 CD2 PHE A 84 7.435 10.724 4.989 1.00 0.00 C ATOM 883 CE1 PHE A 84 9.321 12.736 5.090 1.00 0.00 C ATOM 884 CE2 PHE A 84 8.613 10.602 4.275 1.00 0.00 C ATOM 885 CZ PHE A 84 9.558 11.609 4.326 1.00 0.00 C ATOM 0 H PHE A 84 6.032 9.539 7.877 1.00 0.00 H new ATOM 0 HA PHE A 84 6.676 12.358 8.503 1.00 0.00 H new ATOM 0 HB2 PHE A 84 5.149 11.332 6.083 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.536 13.002 6.445 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.962 13.735 6.399 1.00 0.00 H new ATOM 0 HD2 PHE A 84 6.700 9.934 4.945 1.00 0.00 H new ATOM 0 HE1 PHE A 84 10.057 13.526 5.130 1.00 0.00 H new ATOM 0 HE2 PHE A 84 8.794 9.720 3.678 1.00 0.00 H new ATOM 0 HZ PHE A 84 10.479 11.516 3.770 1.00 0.00 H new ATOM 895 N HIS A 85 4.239 12.852 9.093 1.00 0.00 N ATOM 896 CA HIS A 85 2.923 13.025 9.665 1.00 0.00 C ATOM 897 C HIS A 85 2.225 14.222 9.038 1.00 0.00 C ATOM 898 O HIS A 85 2.797 15.305 8.918 1.00 0.00 O ATOM 899 CB HIS A 85 2.980 13.138 11.194 1.00 0.00 C ATOM 900 CG HIS A 85 3.747 14.304 11.750 1.00 0.00 C ATOM 901 ND1 HIS A 85 3.457 14.852 12.978 1.00 0.00 N ATOM 902 CD2 HIS A 85 4.801 15.007 11.269 1.00 0.00 C ATOM 903 CE1 HIS A 85 4.295 15.837 13.229 1.00 0.00 C ATOM 904 NE2 HIS A 85 5.122 15.954 12.208 1.00 0.00 N ATOM 0 H HIS A 85 4.800 13.703 9.055 1.00 0.00 H new ATOM 0 HA HIS A 85 2.336 12.135 9.438 1.00 0.00 H new ATOM 0 HB2 HIS A 85 1.959 13.190 11.571 1.00 0.00 H new ATOM 0 HB3 HIS A 85 3.419 12.221 11.588 1.00 0.00 H new ATOM 0 HD2 HIS A 85 5.296 14.851 10.322 1.00 0.00 H new ATOM 0 HE1 HIS A 85 4.303 16.446 14.121 1.00 0.00 H new ATOM 0 HE2 HIS A 85 5.876 16.636 12.130 1.00 0.00 H new ATOM 913 N LEU A 86 0.994 14.003 8.624 1.00 0.00 N ATOM 914 CA LEU A 86 0.240 14.991 7.884 1.00 0.00 C ATOM 915 C LEU A 86 -1.110 15.247 8.532 1.00 0.00 C ATOM 916 O LEU A 86 -1.625 14.408 9.264 1.00 0.00 O ATOM 917 CB LEU A 86 0.028 14.530 6.442 1.00 0.00 C ATOM 918 CG LEU A 86 -0.594 13.139 6.271 1.00 0.00 C ATOM 919 CD1 LEU A 86 -1.266 13.020 4.916 1.00 0.00 C ATOM 920 CD2 LEU A 86 0.463 12.058 6.411 1.00 0.00 C ATOM 0 H LEU A 86 0.488 13.133 8.792 1.00 0.00 H new ATOM 0 HA LEU A 86 0.814 15.917 7.890 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.609 15.257 5.938 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.991 14.542 5.931 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.342 13.006 7.053 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.702 12.026 4.812 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.051 13.771 4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.528 13.177 4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.001 11.079 6.286 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.229 12.197 5.648 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.919 12.121 7.399 1.00 0.00 H new ATOM 932 N LYS A 87 -1.674 16.406 8.250 1.00 0.00 N ATOM 933 CA LYS A 87 -2.982 16.768 8.778 1.00 0.00 C ATOM 934 C LYS A 87 -4.057 16.531 7.721 1.00 0.00 C ATOM 935 O LYS A 87 -3.906 16.957 6.572 1.00 0.00 O ATOM 936 CB LYS A 87 -2.983 18.237 9.213 1.00 0.00 C ATOM 937 CG LYS A 87 -4.250 18.666 9.938 1.00 0.00 C ATOM 938 CD LYS A 87 -4.238 20.155 10.258 1.00 0.00 C ATOM 939 CE LYS A 87 -3.050 20.537 11.132 1.00 0.00 C ATOM 940 NZ LYS A 87 -3.058 21.983 11.472 1.00 0.00 N ATOM 0 H LYS A 87 -1.248 17.117 7.656 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.199 16.144 9.645 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.127 18.413 9.864 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.849 18.866 8.333 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.119 18.433 9.322 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.352 18.096 10.861 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.205 20.726 9.330 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.164 20.425 10.765 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.069 19.948 12.049 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.123 20.291 10.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.235 22.204 12.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.015 22.545 10.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.931 22.213 11.989 1.00 0.00 H new ATOM 954 N THR A 88 -5.127 15.845 8.104 1.00 0.00 N ATOM 955 CA THR A 88 -6.222 15.565 7.187 1.00 0.00 C ATOM 956 C THR A 88 -7.021 16.828 6.887 1.00 0.00 C ATOM 957 O THR A 88 -7.409 17.567 7.796 1.00 0.00 O ATOM 958 CB THR A 88 -7.156 14.478 7.753 1.00 0.00 C ATOM 959 OG1 THR A 88 -7.573 14.818 9.085 1.00 0.00 O ATOM 960 CG2 THR A 88 -6.458 13.129 7.764 1.00 0.00 C ATOM 0 H THR A 88 -5.259 15.473 9.044 1.00 0.00 H new ATOM 0 HA THR A 88 -5.784 15.199 6.259 1.00 0.00 H new ATOM 0 HB THR A 88 -8.034 14.417 7.111 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.289 14.211 9.369 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.133 12.374 8.167 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.175 12.857 6.747 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.565 13.187 8.386 1.00 0.00 H new ATOM 968 N GLY A 89 -7.263 17.075 5.612 1.00 0.00 N ATOM 969 CA GLY A 89 -7.967 18.271 5.219 1.00 0.00 C ATOM 970 C GLY A 89 -9.454 18.040 5.072 1.00 0.00 C ATOM 971 O GLY A 89 -9.982 17.009 5.504 1.00 0.00 O ATOM 0 H GLY A 89 -6.984 16.467 4.842 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.794 19.051 5.960 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.563 18.634 4.274 1.00 0.00 H new ATOM 975 N ARG A 90 -10.127 19.000 4.463 1.00 0.00 N ATOM 976 CA ARG A 90 -11.562 18.919 4.226 1.00 0.00 C ATOM 977 C ARG A 90 -11.932 19.761 3.011 1.00 0.00 C ATOM 978 O ARG A 90 -11.755 20.981 3.003 1.00 0.00 O ATOM 979 CB ARG A 90 -12.372 19.364 5.461 1.00 0.00 C ATOM 980 CG ARG A 90 -12.017 20.746 6.006 1.00 0.00 C ATOM 981 CD ARG A 90 -10.736 20.720 6.823 1.00 0.00 C ATOM 982 NE ARG A 90 -10.405 22.030 7.375 1.00 0.00 N ATOM 983 CZ ARG A 90 -9.701 22.208 8.491 1.00 0.00 C ATOM 984 NH1 ARG A 90 -9.225 21.162 9.158 1.00 0.00 N ATOM 985 NH2 ARG A 90 -9.468 23.438 8.933 1.00 0.00 N ATOM 0 H ARG A 90 -9.697 19.858 4.118 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.815 17.876 4.033 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.431 19.353 5.204 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -12.228 18.630 6.254 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.905 21.445 5.178 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.835 21.113 6.625 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.841 20.001 7.636 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.914 20.374 6.196 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.732 22.858 6.877 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.398 20.217 8.816 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.686 21.304 10.012 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.828 24.242 8.418 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.929 23.579 9.787 1.00 0.00 H new ATOM 999 N ASN A 91 -12.442 19.102 1.983 1.00 0.00 N ATOM 1000 CA ASN A 91 -12.729 19.767 0.719 1.00 0.00 C ATOM 1001 C ASN A 91 -14.095 20.432 0.758 1.00 0.00 C ATOM 1002 O ASN A 91 -15.037 19.883 1.337 1.00 0.00 O ATOM 1003 CB ASN A 91 -12.700 18.759 -0.427 1.00 0.00 C ATOM 1004 CG ASN A 91 -12.538 19.403 -1.795 1.00 0.00 C ATOM 1005 OD1 ASN A 91 -11.830 20.393 -1.949 1.00 0.00 O ATOM 1006 ND2 ASN A 91 -13.196 18.841 -2.799 1.00 0.00 N ATOM 0 H ASN A 91 -12.666 18.107 1.998 1.00 0.00 H new ATOM 0 HA ASN A 91 -11.965 20.527 0.559 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -11.881 18.059 -0.264 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -13.623 18.179 -0.414 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.123 19.231 -3.739 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -13.775 18.018 -2.632 1.00 0.00 H new ATOM 1013 N PRO A 92 -14.196 21.640 0.181 1.00 0.00 N ATOM 1014 CA PRO A 92 -15.461 22.338 -0.057 1.00 0.00 C ATOM 1015 C PRO A 92 -16.611 21.422 -0.489 1.00 0.00 C ATOM 1016 O PRO A 92 -16.392 20.341 -1.043 1.00 0.00 O ATOM 1017 CB PRO A 92 -15.101 23.274 -1.204 1.00 0.00 C ATOM 1018 CG PRO A 92 -13.666 23.616 -0.990 1.00 0.00 C ATOM 1019 CD PRO A 92 -13.046 22.460 -0.247 1.00 0.00 C ATOM 0 HA PRO A 92 -15.825 22.817 0.852 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -15.251 22.791 -2.169 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.725 24.168 -1.194 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -13.161 23.778 -1.943 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -13.570 24.539 -0.418 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -12.370 21.893 -0.887 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -12.463 22.804 0.607 1.00 0.00 H new ATOM 1027 N ASN A 93 -17.836 21.891 -0.234 1.00 0.00 N ATOM 1028 CA ASN A 93 -19.064 21.170 -0.595 1.00 0.00 C ATOM 1029 C ASN A 93 -19.199 19.885 0.226 1.00 0.00 C ATOM 1030 O ASN A 93 -20.025 19.024 -0.076 1.00 0.00 O ATOM 1031 CB ASN A 93 -19.080 20.868 -2.105 1.00 0.00 C ATOM 1032 CG ASN A 93 -20.463 20.518 -2.633 1.00 0.00 C ATOM 1033 OD1 ASN A 93 -20.856 19.352 -2.673 1.00 0.00 O ATOM 1034 ND2 ASN A 93 -21.206 21.527 -3.066 1.00 0.00 N ATOM 0 H ASN A 93 -18.006 22.783 0.230 1.00 0.00 H new ATOM 0 HA ASN A 93 -19.921 21.803 -0.364 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -18.701 21.735 -2.646 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -18.400 20.041 -2.311 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -22.135 21.349 -3.447 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -20.848 22.481 -3.018 1.00 0.00 H new ATOM 1041 N ASN A 94 -18.404 19.793 1.293 1.00 0.00 N ATOM 1042 CA ASN A 94 -18.357 18.606 2.150 1.00 0.00 C ATOM 1043 C ASN A 94 -17.972 17.383 1.326 1.00 0.00 C ATOM 1044 O ASN A 94 -18.799 16.518 1.026 1.00 0.00 O ATOM 1045 CB ASN A 94 -19.696 18.384 2.879 1.00 0.00 C ATOM 1046 CG ASN A 94 -19.617 17.333 3.984 1.00 0.00 C ATOM 1047 OD1 ASN A 94 -18.866 16.360 3.898 1.00 0.00 O ATOM 1048 ND2 ASN A 94 -20.395 17.528 5.042 1.00 0.00 N ATOM 0 H ASN A 94 -17.774 20.539 1.588 1.00 0.00 H new ATOM 0 HA ASN A 94 -17.597 18.766 2.915 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -20.028 19.329 3.309 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -20.451 18.082 2.153 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -20.382 16.862 5.814 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -21.006 18.344 5.083 1.00 0.00 H new ATOM 1055 N SER A 95 -16.714 17.337 0.929 1.00 0.00 N ATOM 1056 CA SER A 95 -16.206 16.229 0.149 1.00 0.00 C ATOM 1057 C SER A 95 -15.454 15.257 1.052 1.00 0.00 C ATOM 1058 O SER A 95 -14.247 15.393 1.257 1.00 0.00 O ATOM 1059 CB SER A 95 -15.304 16.747 -0.975 1.00 0.00 C ATOM 1060 OG SER A 95 -14.847 15.700 -1.817 1.00 0.00 O ATOM 0 H SER A 95 -16.024 18.059 1.136 1.00 0.00 H new ATOM 0 HA SER A 95 -17.041 15.696 -0.305 1.00 0.00 H new ATOM 0 HB2 SER A 95 -15.851 17.478 -1.570 1.00 0.00 H new ATOM 0 HB3 SER A 95 -14.447 17.264 -0.543 1.00 0.00 H new ATOM 0 HG SER A 95 -13.879 15.782 -1.945 1.00 0.00 H new ATOM 1066 N SER A 96 -16.202 14.315 1.625 1.00 0.00 N ATOM 1067 CA SER A 96 -15.652 13.259 2.471 1.00 0.00 C ATOM 1068 C SER A 96 -15.112 13.819 3.791 1.00 0.00 C ATOM 1069 O SER A 96 -15.059 15.032 4.001 1.00 0.00 O ATOM 1070 CB SER A 96 -14.555 12.483 1.723 1.00 0.00 C ATOM 1071 OG SER A 96 -14.216 11.280 2.395 1.00 0.00 O ATOM 0 H SER A 96 -17.215 14.264 1.514 1.00 0.00 H new ATOM 0 HA SER A 96 -16.463 12.572 2.711 1.00 0.00 H new ATOM 0 HB2 SER A 96 -14.895 12.253 0.713 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.668 13.109 1.626 1.00 0.00 H new ATOM 0 HG SER A 96 -13.518 10.810 1.893 1.00 0.00 H new ATOM 1077 N ARG A 97 -14.742 12.916 4.686 1.00 0.00 N ATOM 1078 CA ARG A 97 -14.148 13.286 5.961 1.00 0.00 C ATOM 1079 C ARG A 97 -12.719 12.776 6.018 1.00 0.00 C ATOM 1080 O ARG A 97 -12.419 11.719 5.459 1.00 0.00 O ATOM 1081 CB ARG A 97 -14.963 12.721 7.131 1.00 0.00 C ATOM 1082 CG ARG A 97 -15.321 11.253 6.972 1.00 0.00 C ATOM 1083 CD ARG A 97 -15.931 10.677 8.239 1.00 0.00 C ATOM 1084 NE ARG A 97 -17.009 11.511 8.766 1.00 0.00 N ATOM 1085 CZ ARG A 97 -18.303 11.215 8.671 1.00 0.00 C ATOM 1086 NH1 ARG A 97 -18.707 10.169 7.968 1.00 0.00 N ATOM 1087 NH2 ARG A 97 -19.201 11.996 9.257 1.00 0.00 N ATOM 0 H ARG A 97 -14.844 11.910 4.550 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.150 14.373 6.047 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -14.396 12.850 8.053 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -15.880 13.300 7.237 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -16.023 11.138 6.146 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -14.427 10.688 6.710 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -16.316 9.678 8.033 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -15.155 10.569 8.997 1.00 0.00 H new ATOM 0 HE ARG A 97 -16.753 12.378 9.238 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -18.024 9.580 7.492 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -19.701 9.952 7.902 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -18.899 12.819 9.778 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -20.194 11.773 9.187 1.00 0.00 H new ATOM 1101 N ALA A 98 -11.849 13.537 6.681 1.00 0.00 N ATOM 1102 CA ALA A 98 -10.429 13.215 6.757 1.00 0.00 C ATOM 1103 C ALA A 98 -9.843 13.084 5.352 1.00 0.00 C ATOM 1104 O ALA A 98 -9.566 11.982 4.877 1.00 0.00 O ATOM 1105 CB ALA A 98 -10.198 11.944 7.570 1.00 0.00 C ATOM 0 H ALA A 98 -12.109 14.389 7.177 1.00 0.00 H new ATOM 0 HA ALA A 98 -9.917 14.029 7.269 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.131 11.727 7.611 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.578 12.085 8.582 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.720 11.111 7.099 1.00 0.00 H new ATOM 1111 N TYR A 99 -9.683 14.220 4.684 1.00 0.00 N ATOM 1112 CA TYR A 99 -9.316 14.231 3.276 1.00 0.00 C ATOM 1113 C TYR A 99 -7.878 13.774 3.078 1.00 0.00 C ATOM 1114 O TYR A 99 -6.932 14.457 3.476 1.00 0.00 O ATOM 1115 CB TYR A 99 -9.511 15.629 2.685 1.00 0.00 C ATOM 1116 CG TYR A 99 -10.139 15.634 1.312 1.00 0.00 C ATOM 1117 CD1 TYR A 99 -11.053 14.656 0.939 1.00 0.00 C ATOM 1118 CD2 TYR A 99 -9.837 16.632 0.395 1.00 0.00 C ATOM 1119 CE1 TYR A 99 -11.650 14.676 -0.306 1.00 0.00 C ATOM 1120 CE2 TYR A 99 -10.428 16.657 -0.854 1.00 0.00 C ATOM 1121 CZ TYR A 99 -11.334 15.676 -1.199 1.00 0.00 C ATOM 1122 OH TYR A 99 -11.940 15.699 -2.433 1.00 0.00 O ATOM 0 H TYR A 99 -9.802 15.145 5.096 1.00 0.00 H new ATOM 0 HA TYR A 99 -9.969 13.531 2.755 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -10.135 16.214 3.361 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -8.543 16.128 2.632 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -11.300 13.867 1.634 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -9.128 17.402 0.662 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -12.362 13.911 -0.578 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -10.182 17.440 -1.556 1.00 0.00 H new ATOM 0 HH TYR A 99 -11.611 16.467 -2.945 1.00 0.00 H new ATOM 1132 N MET A 100 -7.730 12.598 2.486 1.00 0.00 N ATOM 1133 CA MET A 100 -6.424 12.092 2.098 1.00 0.00 C ATOM 1134 C MET A 100 -6.045 12.697 0.754 1.00 0.00 C ATOM 1135 O MET A 100 -6.660 12.384 -0.265 1.00 0.00 O ATOM 1136 CB MET A 100 -6.448 10.561 1.999 1.00 0.00 C ATOM 1137 CG MET A 100 -6.860 9.867 3.289 1.00 0.00 C ATOM 1138 SD MET A 100 -5.656 10.079 4.614 1.00 0.00 S ATOM 1139 CE MET A 100 -6.485 9.231 5.956 1.00 0.00 C ATOM 0 H MET A 100 -8.505 11.973 2.263 1.00 0.00 H new ATOM 0 HA MET A 100 -5.688 12.371 2.852 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.135 10.269 1.205 1.00 0.00 H new ATOM 0 HB3 MET A 100 -5.458 10.210 1.709 1.00 0.00 H new ATOM 0 HG2 MET A 100 -7.824 10.258 3.615 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.997 8.803 3.096 1.00 0.00 H new ATOM 0 HE1 MET A 100 -6.081 9.575 6.908 1.00 0.00 H new ATOM 0 HE2 MET A 100 -7.553 9.445 5.917 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.326 8.157 5.861 1.00 0.00 H new ATOM 1149 N GLY A 101 -5.046 13.569 0.757 1.00 0.00 N ATOM 1150 CA GLY A 101 -4.678 14.285 -0.455 1.00 0.00 C ATOM 1151 C GLY A 101 -3.800 13.473 -1.387 1.00 0.00 C ATOM 1152 O GLY A 101 -2.982 14.024 -2.119 1.00 0.00 O ATOM 0 H GLY A 101 -4.482 13.796 1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.584 14.579 -0.985 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.156 15.202 -0.183 1.00 0.00 H new ATOM 1156 N ILE A 102 -3.978 12.163 -1.358 1.00 0.00 N ATOM 1157 CA ILE A 102 -3.214 11.248 -2.191 1.00 0.00 C ATOM 1158 C ILE A 102 -4.079 10.054 -2.554 1.00 0.00 C ATOM 1159 O ILE A 102 -5.199 9.909 -2.058 1.00 0.00 O ATOM 1160 CB ILE A 102 -1.938 10.723 -1.485 1.00 0.00 C ATOM 1161 CG1 ILE A 102 -2.320 9.911 -0.246 1.00 0.00 C ATOM 1162 CG2 ILE A 102 -1.005 11.864 -1.107 1.00 0.00 C ATOM 1163 CD1 ILE A 102 -1.144 9.261 0.441 1.00 0.00 C ATOM 0 H ILE A 102 -4.659 11.702 -0.754 1.00 0.00 H new ATOM 0 HA ILE A 102 -2.909 11.805 -3.077 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.406 10.077 -2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.828 10.565 0.463 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.033 9.139 -0.535 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.120 11.462 -0.614 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -0.706 12.403 -2.006 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.520 12.546 -0.430 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.493 8.703 1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.648 8.581 -0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -0.440 10.029 0.762 1.00 0.00 H new ATOM 1175 N ARG A 103 -3.561 9.208 -3.420 1.00 0.00 N ATOM 1176 CA ARG A 103 -4.214 7.958 -3.746 1.00 0.00 C ATOM 1177 C ARG A 103 -3.403 6.810 -3.169 1.00 0.00 C ATOM 1178 O ARG A 103 -2.179 6.794 -3.283 1.00 0.00 O ATOM 1179 CB ARG A 103 -4.345 7.783 -5.259 1.00 0.00 C ATOM 1180 CG ARG A 103 -5.082 8.911 -5.959 1.00 0.00 C ATOM 1181 CD ARG A 103 -5.398 8.541 -7.401 1.00 0.00 C ATOM 1182 NE ARG A 103 -5.789 9.701 -8.203 1.00 0.00 N ATOM 1183 CZ ARG A 103 -7.038 9.969 -8.575 1.00 0.00 C ATOM 1184 NH1 ARG A 103 -8.038 9.199 -8.162 1.00 0.00 N ATOM 1185 NH2 ARG A 103 -7.285 11.015 -9.353 1.00 0.00 N ATOM 0 H ARG A 103 -2.683 9.366 -3.914 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.216 7.965 -3.317 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -3.348 7.694 -5.690 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.864 6.846 -5.461 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.006 9.133 -5.425 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -4.475 9.816 -5.936 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -4.525 8.069 -7.852 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -6.202 7.805 -7.416 1.00 0.00 H new ATOM 0 HE ARG A 103 -5.056 10.347 -8.496 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.850 8.399 -7.558 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -8.994 9.407 -8.449 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -6.518 11.611 -9.664 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -8.242 11.223 -9.640 1.00 0.00 H new ATOM 1199 N THR A 104 -4.074 5.870 -2.534 1.00 0.00 N ATOM 1200 CA THR A 104 -3.412 4.708 -1.972 1.00 0.00 C ATOM 1201 C THR A 104 -3.949 3.426 -2.598 1.00 0.00 C ATOM 1202 O THR A 104 -5.157 3.178 -2.598 1.00 0.00 O ATOM 1203 CB THR A 104 -3.583 4.666 -0.443 1.00 0.00 C ATOM 1204 OG1 THR A 104 -4.891 5.138 -0.086 1.00 0.00 O ATOM 1205 CG2 THR A 104 -2.519 5.513 0.242 1.00 0.00 C ATOM 0 H THR A 104 -5.084 5.888 -2.393 1.00 0.00 H new ATOM 0 HA THR A 104 -2.349 4.786 -2.198 1.00 0.00 H new ATOM 0 HB THR A 104 -3.469 3.635 -0.110 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.940 5.262 0.885 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.659 5.469 1.322 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.530 5.131 -0.012 1.00 0.00 H new ATOM 0 HG23 THR A 104 -2.605 6.547 -0.093 1.00 0.00 H new ATOM 1213 N SER A 105 -3.047 2.630 -3.150 1.00 0.00 N ATOM 1214 CA SER A 105 -3.418 1.384 -3.801 1.00 0.00 C ATOM 1215 C SER A 105 -2.333 0.333 -3.587 1.00 0.00 C ATOM 1216 O SER A 105 -1.208 0.663 -3.225 1.00 0.00 O ATOM 1217 CB SER A 105 -3.619 1.604 -5.307 1.00 0.00 C ATOM 1218 OG SER A 105 -4.598 2.597 -5.572 1.00 0.00 O ATOM 0 H SER A 105 -2.046 2.827 -3.160 1.00 0.00 H new ATOM 0 HA SER A 105 -4.353 1.036 -3.361 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.672 1.898 -5.760 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.918 0.666 -5.774 1.00 0.00 H new ATOM 0 HG SER A 105 -4.696 2.709 -6.541 1.00 0.00 H new ATOM 1224 N ASN A 106 -2.673 -0.926 -3.822 1.00 0.00 N ATOM 1225 CA ASN A 106 -1.700 -2.016 -3.793 1.00 0.00 C ATOM 1226 C ASN A 106 -0.903 -2.006 -5.091 1.00 0.00 C ATOM 1227 O ASN A 106 -0.781 -3.013 -5.785 1.00 0.00 O ATOM 1228 CB ASN A 106 -2.393 -3.373 -3.608 1.00 0.00 C ATOM 1229 CG ASN A 106 -3.119 -3.493 -2.281 1.00 0.00 C ATOM 1230 OD1 ASN A 106 -2.747 -2.869 -1.289 1.00 0.00 O ATOM 1231 ND2 ASN A 106 -4.167 -4.302 -2.255 1.00 0.00 N ATOM 0 H ASN A 106 -3.625 -1.223 -4.037 1.00 0.00 H new ATOM 0 HA ASN A 106 -1.030 -1.868 -2.946 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.104 -3.525 -4.420 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -1.650 -4.167 -3.682 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -4.696 -4.424 -1.391 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -4.445 -4.803 -3.099 1.00 0.00 H new ATOM 1238 N HIS A 107 -0.360 -0.839 -5.393 1.00 0.00 N ATOM 1239 CA HIS A 107 0.365 -0.588 -6.638 1.00 0.00 C ATOM 1240 C HIS A 107 1.786 -1.168 -6.585 1.00 0.00 C ATOM 1241 O HIS A 107 2.728 -0.602 -7.137 1.00 0.00 O ATOM 1242 CB HIS A 107 0.398 0.931 -6.882 1.00 0.00 C ATOM 1243 CG HIS A 107 0.890 1.344 -8.241 1.00 0.00 C ATOM 1244 ND1 HIS A 107 2.138 1.893 -8.456 1.00 0.00 N ATOM 1245 CD2 HIS A 107 0.286 1.303 -9.453 1.00 0.00 C ATOM 1246 CE1 HIS A 107 2.276 2.173 -9.739 1.00 0.00 C ATOM 1247 NE2 HIS A 107 1.169 1.825 -10.363 1.00 0.00 N ATOM 0 H HIS A 107 -0.408 -0.027 -4.778 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.146 -1.084 -7.463 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -0.607 1.329 -6.739 1.00 0.00 H new ATOM 0 HB3 HIS A 107 1.034 1.392 -6.126 1.00 0.00 H new ATOM 0 HD1 HIS A 107 2.843 2.057 -7.737 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -0.705 0.929 -9.663 1.00 0.00 H new ATOM 0 HE1 HIS A 107 3.149 2.613 -10.199 1.00 0.00 H new ATOM 1256 N LEU A 108 1.923 -2.313 -5.936 1.00 0.00 N ATOM 1257 CA LEU A 108 3.207 -2.988 -5.829 1.00 0.00 C ATOM 1258 C LEU A 108 3.509 -3.764 -7.104 1.00 0.00 C ATOM 1259 O LEU A 108 2.627 -3.993 -7.930 1.00 0.00 O ATOM 1260 CB LEU A 108 3.225 -3.955 -4.635 1.00 0.00 C ATOM 1261 CG LEU A 108 3.034 -3.317 -3.255 1.00 0.00 C ATOM 1262 CD1 LEU A 108 1.566 -3.050 -2.969 1.00 0.00 C ATOM 1263 CD2 LEU A 108 3.629 -4.204 -2.173 1.00 0.00 C ATOM 0 H LEU A 108 1.155 -2.798 -5.472 1.00 0.00 H new ATOM 0 HA LEU A 108 3.969 -2.224 -5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.441 -4.698 -4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.175 -4.489 -4.639 1.00 0.00 H new ATOM 0 HG LEU A 108 3.557 -2.360 -3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.464 -2.597 -1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.166 -2.372 -3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.013 -3.989 -2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 108 3.485 -3.736 -1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 108 3.134 -5.175 -2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 108 4.695 -4.337 -2.357 1.00 0.00 H new ATOM 1275 N ARG A 109 4.756 -4.170 -7.260 1.00 0.00 N ATOM 1276 CA ARG A 109 5.148 -4.980 -8.397 1.00 0.00 C ATOM 1277 C ARG A 109 5.919 -6.207 -7.927 1.00 0.00 C ATOM 1278 O ARG A 109 6.602 -6.166 -6.904 1.00 0.00 O ATOM 1279 CB ARG A 109 5.959 -4.157 -9.418 1.00 0.00 C ATOM 1280 CG ARG A 109 7.077 -3.285 -8.838 1.00 0.00 C ATOM 1281 CD ARG A 109 8.274 -4.099 -8.367 1.00 0.00 C ATOM 1282 NE ARG A 109 9.431 -3.259 -8.054 1.00 0.00 N ATOM 1283 CZ ARG A 109 9.914 -3.074 -6.825 1.00 0.00 C ATOM 1284 NH1 ARG A 109 9.290 -3.588 -5.773 1.00 0.00 N ATOM 1285 NH2 ARG A 109 11.015 -2.358 -6.647 1.00 0.00 N ATOM 0 H ARG A 109 5.514 -3.952 -6.613 1.00 0.00 H new ATOM 0 HA ARG A 109 4.246 -5.320 -8.907 1.00 0.00 H new ATOM 0 HB2 ARG A 109 6.399 -4.843 -10.142 1.00 0.00 H new ATOM 0 HB3 ARG A 109 5.270 -3.514 -9.966 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.404 -2.570 -9.594 1.00 0.00 H new ATOM 0 HG3 ARG A 109 6.684 -2.707 -8.001 1.00 0.00 H new ATOM 0 HD2 ARG A 109 7.995 -4.672 -7.483 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.548 -4.817 -9.140 1.00 0.00 H new ATOM 0 HE ARG A 109 9.898 -2.784 -8.826 1.00 0.00 H new ATOM 0 HH11 ARG A 109 8.435 -4.129 -5.901 1.00 0.00 H new ATOM 0 HH12 ARG A 109 9.665 -3.442 -4.836 1.00 0.00 H new ATOM 0 HH21 ARG A 109 11.493 -1.949 -7.450 1.00 0.00 H new ATOM 0 HH22 ARG A 109 11.385 -2.216 -5.707 1.00 0.00 H new ATOM 1299 N VAL A 110 5.799 -7.302 -8.663 1.00 0.00 N ATOM 1300 CA VAL A 110 6.475 -8.533 -8.286 1.00 0.00 C ATOM 1301 C VAL A 110 7.849 -8.631 -8.932 1.00 0.00 C ATOM 1302 O VAL A 110 7.999 -8.593 -10.151 1.00 0.00 O ATOM 1303 CB VAL A 110 5.627 -9.787 -8.605 1.00 0.00 C ATOM 1304 CG1 VAL A 110 5.093 -9.748 -10.028 1.00 0.00 C ATOM 1305 CG2 VAL A 110 6.427 -11.059 -8.367 1.00 0.00 C ATOM 0 H VAL A 110 5.245 -7.363 -9.517 1.00 0.00 H new ATOM 0 HA VAL A 110 6.609 -8.498 -7.205 1.00 0.00 H new ATOM 0 HB VAL A 110 4.773 -9.787 -7.928 1.00 0.00 H new ATOM 0 HG11 VAL A 110 4.502 -10.643 -10.219 1.00 0.00 H new ATOM 0 HG12 VAL A 110 4.467 -8.865 -10.158 1.00 0.00 H new ATOM 0 HG13 VAL A 110 5.927 -9.707 -10.729 1.00 0.00 H new ATOM 0 HG21 VAL A 110 5.809 -11.926 -8.598 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.308 -11.060 -9.009 1.00 0.00 H new ATOM 0 HG23 VAL A 110 6.738 -11.103 -7.323 1.00 0.00 H new ATOM 1315 N ARG A 111 8.844 -8.716 -8.076 1.00 0.00 N ATOM 1316 CA ARG A 111 10.229 -8.874 -8.486 1.00 0.00 C ATOM 1317 C ARG A 111 10.836 -10.042 -7.726 1.00 0.00 C ATOM 1318 O ARG A 111 11.763 -10.705 -8.194 1.00 0.00 O ATOM 1319 CB ARG A 111 10.999 -7.568 -8.227 1.00 0.00 C ATOM 1320 CG ARG A 111 12.496 -7.647 -8.496 1.00 0.00 C ATOM 1321 CD ARG A 111 13.281 -7.952 -7.230 1.00 0.00 C ATOM 1322 NE ARG A 111 14.722 -7.945 -7.464 1.00 0.00 N ATOM 1323 CZ ARG A 111 15.618 -7.485 -6.596 1.00 0.00 C ATOM 1324 NH1 ARG A 111 15.232 -6.972 -5.434 1.00 0.00 N ATOM 1325 NH2 ARG A 111 16.908 -7.536 -6.893 1.00 0.00 N ATOM 0 H ARG A 111 8.717 -8.677 -7.065 1.00 0.00 H new ATOM 0 HA ARG A 111 10.289 -9.087 -9.553 1.00 0.00 H new ATOM 0 HB2 ARG A 111 10.573 -6.781 -8.850 1.00 0.00 H new ATOM 0 HB3 ARG A 111 10.845 -7.271 -7.189 1.00 0.00 H new ATOM 0 HG2 ARG A 111 12.692 -8.419 -9.240 1.00 0.00 H new ATOM 0 HG3 ARG A 111 12.840 -6.703 -8.919 1.00 0.00 H new ATOM 0 HD2 ARG A 111 13.035 -7.216 -6.465 1.00 0.00 H new ATOM 0 HD3 ARG A 111 12.981 -8.926 -6.844 1.00 0.00 H new ATOM 0 HE ARG A 111 15.063 -8.317 -8.350 1.00 0.00 H new ATOM 0 HH11 ARG A 111 14.240 -6.928 -5.200 1.00 0.00 H new ATOM 0 HH12 ARG A 111 15.927 -6.622 -4.775 1.00 0.00 H new ATOM 0 HH21 ARG A 111 17.211 -7.927 -7.785 1.00 0.00 H new ATOM 0 HH22 ARG A 111 17.598 -7.184 -6.230 1.00 0.00 H new ATOM 1339 N ASP A 112 10.288 -10.281 -6.546 1.00 0.00 N ATOM 1340 CA ASP A 112 10.683 -11.408 -5.724 1.00 0.00 C ATOM 1341 C ASP A 112 9.965 -12.659 -6.210 1.00 0.00 C ATOM 1342 O ASP A 112 8.777 -12.853 -5.944 1.00 0.00 O ATOM 1343 CB ASP A 112 10.356 -11.120 -4.254 1.00 0.00 C ATOM 1344 CG ASP A 112 10.865 -12.193 -3.312 1.00 0.00 C ATOM 1345 OD1 ASP A 112 12.101 -12.319 -3.160 1.00 0.00 O ATOM 1346 OD2 ASP A 112 10.035 -12.899 -2.709 1.00 0.00 O ATOM 0 H ASP A 112 9.559 -9.699 -6.134 1.00 0.00 H new ATOM 0 HA ASP A 112 11.758 -11.569 -5.805 1.00 0.00 H new ATOM 0 HB2 ASP A 112 10.791 -10.161 -3.972 1.00 0.00 H new ATOM 0 HB3 ASP A 112 9.276 -11.026 -4.139 1.00 0.00 H new ATOM 1351 N SER A 113 10.685 -13.467 -6.967 1.00 0.00 N ATOM 1352 CA SER A 113 10.123 -14.648 -7.604 1.00 0.00 C ATOM 1353 C SER A 113 9.719 -15.705 -6.573 1.00 0.00 C ATOM 1354 O SER A 113 10.556 -16.456 -6.068 1.00 0.00 O ATOM 1355 CB SER A 113 11.136 -15.223 -8.602 1.00 0.00 C ATOM 1356 OG SER A 113 10.679 -16.434 -9.182 1.00 0.00 O ATOM 0 H SER A 113 11.677 -13.324 -7.159 1.00 0.00 H new ATOM 0 HA SER A 113 9.218 -14.355 -8.137 1.00 0.00 H new ATOM 0 HB2 SER A 113 11.325 -14.493 -9.389 1.00 0.00 H new ATOM 0 HB3 SER A 113 12.085 -15.399 -8.095 1.00 0.00 H new ATOM 0 HG SER A 113 11.350 -16.768 -9.813 1.00 0.00 H new ATOM 1362 N VAL A 114 8.437 -15.738 -6.251 1.00 0.00 N ATOM 1363 CA VAL A 114 7.894 -16.752 -5.366 1.00 0.00 C ATOM 1364 C VAL A 114 7.030 -17.727 -6.150 1.00 0.00 C ATOM 1365 O VAL A 114 6.427 -17.358 -7.158 1.00 0.00 O ATOM 1366 CB VAL A 114 7.060 -16.127 -4.229 1.00 0.00 C ATOM 1367 CG1 VAL A 114 7.958 -15.403 -3.240 1.00 0.00 C ATOM 1368 CG2 VAL A 114 6.006 -15.178 -4.786 1.00 0.00 C ATOM 0 H VAL A 114 7.749 -15.068 -6.593 1.00 0.00 H new ATOM 0 HA VAL A 114 8.736 -17.282 -4.921 1.00 0.00 H new ATOM 0 HB VAL A 114 6.549 -16.934 -3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 114 7.350 -14.969 -2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 114 8.668 -16.109 -2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 114 8.501 -14.611 -3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 114 5.431 -14.750 -3.965 1.00 0.00 H new ATOM 0 HG22 VAL A 114 6.494 -14.378 -5.342 1.00 0.00 H new ATOM 0 HG23 VAL A 114 5.337 -15.726 -5.450 1.00 0.00 H new ATOM 1378 N ALA A 115 6.982 -18.972 -5.700 1.00 0.00 N ATOM 1379 CA ALA A 115 6.198 -19.994 -6.369 1.00 0.00 C ATOM 1380 C ALA A 115 5.464 -20.857 -5.355 1.00 0.00 C ATOM 1381 O ALA A 115 6.057 -21.727 -4.721 1.00 0.00 O ATOM 1382 CB ALA A 115 7.090 -20.851 -7.255 1.00 0.00 C ATOM 0 H ALA A 115 7.479 -19.298 -4.871 1.00 0.00 H new ATOM 0 HA ALA A 115 5.456 -19.502 -6.998 1.00 0.00 H new ATOM 0 HB1 ALA A 115 6.487 -21.613 -7.750 1.00 0.00 H new ATOM 0 HB2 ALA A 115 7.569 -20.222 -8.006 1.00 0.00 H new ATOM 0 HB3 ALA A 115 7.854 -21.333 -6.645 1.00 0.00 H new ATOM 1388 N SER A 116 4.182 -20.585 -5.183 1.00 0.00 N ATOM 1389 CA SER A 116 3.351 -21.363 -4.280 1.00 0.00 C ATOM 1390 C SER A 116 2.305 -22.135 -5.071 1.00 0.00 C ATOM 1391 O SER A 116 1.337 -22.659 -4.515 1.00 0.00 O ATOM 1392 CB SER A 116 2.689 -20.441 -3.246 1.00 0.00 C ATOM 1393 OG SER A 116 1.871 -21.172 -2.344 1.00 0.00 O ATOM 0 H SER A 116 3.692 -19.828 -5.659 1.00 0.00 H new ATOM 0 HA SER A 116 3.975 -22.080 -3.746 1.00 0.00 H new ATOM 0 HB2 SER A 116 3.458 -19.906 -2.689 1.00 0.00 H new ATOM 0 HB3 SER A 116 2.087 -19.691 -3.759 1.00 0.00 H new ATOM 0 HG SER A 116 1.399 -21.879 -2.831 1.00 0.00 H new ATOM 1399 N VAL A 117 2.522 -22.220 -6.369 1.00 0.00 N ATOM 1400 CA VAL A 117 1.598 -22.911 -7.254 1.00 0.00 C ATOM 1401 C VAL A 117 2.139 -24.291 -7.631 1.00 0.00 C ATOM 1402 O VAL A 117 3.172 -24.416 -8.291 1.00 0.00 O ATOM 1403 CB VAL A 117 1.284 -22.079 -8.524 1.00 0.00 C ATOM 1404 CG1 VAL A 117 2.557 -21.639 -9.229 1.00 0.00 C ATOM 1405 CG2 VAL A 117 0.385 -22.861 -9.475 1.00 0.00 C ATOM 0 H VAL A 117 3.334 -21.818 -6.838 1.00 0.00 H new ATOM 0 HA VAL A 117 0.662 -23.041 -6.710 1.00 0.00 H new ATOM 0 HB VAL A 117 0.753 -21.182 -8.207 1.00 0.00 H new ATOM 0 HG11 VAL A 117 2.300 -21.058 -10.115 1.00 0.00 H new ATOM 0 HG12 VAL A 117 3.154 -21.026 -8.554 1.00 0.00 H new ATOM 0 HG13 VAL A 117 3.131 -22.517 -9.525 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.178 -22.258 -10.359 1.00 0.00 H new ATOM 0 HG22 VAL A 117 0.885 -23.782 -9.774 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -0.552 -23.103 -8.973 1.00 0.00 H new ATOM 1415 N LEU A 118 1.449 -25.325 -7.179 1.00 0.00 N ATOM 1416 CA LEU A 118 1.850 -26.694 -7.468 1.00 0.00 C ATOM 1417 C LEU A 118 1.238 -27.157 -8.783 1.00 0.00 C ATOM 1418 O LEU A 118 1.829 -27.950 -9.518 1.00 0.00 O ATOM 1419 CB LEU A 118 1.421 -27.639 -6.338 1.00 0.00 C ATOM 1420 CG LEU A 118 2.010 -27.344 -4.947 1.00 0.00 C ATOM 1421 CD1 LEU A 118 3.504 -27.061 -5.039 1.00 0.00 C ATOM 1422 CD2 LEU A 118 1.278 -26.191 -4.267 1.00 0.00 C ATOM 0 H LEU A 118 0.607 -25.243 -6.609 1.00 0.00 H new ATOM 0 HA LEU A 118 2.937 -26.717 -7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 118 0.334 -27.612 -6.263 1.00 0.00 H new ATOM 0 HB3 LEU A 118 1.696 -28.656 -6.618 1.00 0.00 H new ATOM 0 HG LEU A 118 1.870 -28.233 -4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 118 3.897 -26.855 -4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 118 4.013 -27.929 -5.458 1.00 0.00 H new ATOM 0 HD13 LEU A 118 3.672 -26.196 -5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 118 1.718 -26.008 -3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.367 -25.293 -4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 118 0.225 -26.447 -4.150 1.00 0.00 H new ATOM 1434 N GLY A 119 0.051 -26.648 -9.074 1.00 0.00 N ATOM 1435 CA GLY A 119 -0.650 -27.022 -10.284 1.00 0.00 C ATOM 1436 C GLY A 119 -2.013 -27.599 -9.978 1.00 0.00 C ATOM 1437 O GLY A 119 -2.234 -28.131 -8.887 1.00 0.00 O ATOM 0 H GLY A 119 -0.443 -25.976 -8.487 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -0.759 -26.149 -10.927 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -0.060 -27.753 -10.837 1.00 0.00 H new ATOM 1441 N ASP A 120 -2.931 -27.482 -10.920 1.00 0.00 N ATOM 1442 CA ASP A 120 -4.278 -28.000 -10.736 1.00 0.00 C ATOM 1443 C ASP A 120 -4.465 -29.272 -11.542 1.00 0.00 C ATOM 1444 O ASP A 120 -3.627 -29.616 -12.376 1.00 0.00 O ATOM 1445 CB ASP A 120 -5.330 -26.960 -11.136 1.00 0.00 C ATOM 1446 CG ASP A 120 -5.344 -26.655 -12.619 1.00 0.00 C ATOM 1447 OD1 ASP A 120 -4.441 -25.925 -13.086 1.00 0.00 O ATOM 1448 OD2 ASP A 120 -6.279 -27.108 -13.314 1.00 0.00 O ATOM 0 H ASP A 120 -2.770 -27.033 -11.822 1.00 0.00 H new ATOM 0 HA ASP A 120 -4.412 -28.226 -9.678 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -6.315 -27.318 -10.837 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -5.146 -26.038 -10.585 1.00 0.00 H new ATOM 1453 N THR A 121 -5.559 -29.969 -11.284 1.00 0.00 N ATOM 1454 CA THR A 121 -5.845 -31.217 -11.966 1.00 0.00 C ATOM 1455 C THR A 121 -6.323 -30.969 -13.392 1.00 0.00 C ATOM 1456 O THR A 121 -7.420 -30.452 -13.613 1.00 0.00 O ATOM 1457 CB THR A 121 -6.891 -32.039 -11.192 1.00 0.00 C ATOM 1458 OG1 THR A 121 -7.986 -31.200 -10.785 1.00 0.00 O ATOM 1459 CG2 THR A 121 -6.262 -32.686 -9.969 1.00 0.00 C ATOM 0 H THR A 121 -6.266 -29.689 -10.604 1.00 0.00 H new ATOM 0 HA THR A 121 -4.917 -31.787 -12.010 1.00 0.00 H new ATOM 0 HB THR A 121 -7.266 -32.821 -11.853 1.00 0.00 H new ATOM 0 HG1 THR A 121 -8.236 -30.607 -11.524 1.00 0.00 H new ATOM 0 HG21 THR A 121 -7.016 -33.263 -9.434 1.00 0.00 H new ATOM 0 HG22 THR A 121 -5.454 -33.347 -10.282 1.00 0.00 H new ATOM 0 HG23 THR A 121 -5.864 -31.912 -9.312 1.00 0.00 H new ATOM 1467 N LEU A 122 -5.480 -31.318 -14.351 1.00 0.00 N ATOM 1468 CA LEU A 122 -5.794 -31.123 -15.755 1.00 0.00 C ATOM 1469 C LEU A 122 -6.185 -32.452 -16.402 1.00 0.00 C ATOM 1470 O LEU A 122 -5.507 -33.464 -16.213 1.00 0.00 O ATOM 1471 CB LEU A 122 -4.592 -30.483 -16.452 1.00 0.00 C ATOM 1472 CG LEU A 122 -4.235 -29.096 -15.911 1.00 0.00 C ATOM 1473 CD1 LEU A 122 -2.868 -28.651 -16.392 1.00 0.00 C ATOM 1474 CD2 LEU A 122 -5.291 -28.083 -16.318 1.00 0.00 C ATOM 0 H LEU A 122 -4.568 -31.740 -14.179 1.00 0.00 H new ATOM 0 HA LEU A 122 -6.648 -30.453 -15.856 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.728 -31.139 -16.344 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -4.801 -30.405 -17.519 1.00 0.00 H new ATOM 0 HG LEU A 122 -4.204 -29.159 -14.823 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.645 -27.663 -15.990 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -2.114 -29.360 -16.051 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -2.861 -28.610 -17.481 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -5.024 -27.102 -15.926 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -5.350 -28.036 -17.405 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -6.258 -28.384 -15.915 1.00 0.00 H new ATOM 1486 N PRO A 123 -7.304 -32.470 -17.147 1.00 0.00 N ATOM 1487 CA PRO A 123 -7.869 -33.700 -17.715 1.00 0.00 C ATOM 1488 C PRO A 123 -7.052 -34.290 -18.863 1.00 0.00 C ATOM 1489 O PRO A 123 -6.504 -33.570 -19.704 1.00 0.00 O ATOM 1490 CB PRO A 123 -9.250 -33.271 -18.231 1.00 0.00 C ATOM 1491 CG PRO A 123 -9.474 -31.893 -17.709 1.00 0.00 C ATOM 1492 CD PRO A 123 -8.116 -31.299 -17.493 1.00 0.00 C ATOM 0 HA PRO A 123 -7.891 -34.487 -16.961 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -9.281 -33.285 -19.320 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -10.026 -33.952 -17.881 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -10.050 -31.298 -18.417 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -10.040 -31.917 -16.778 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -7.745 -30.799 -18.388 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -8.120 -30.558 -16.693 1.00 0.00 H new ATOM 1500 N PHE A 124 -6.988 -35.616 -18.886 1.00 0.00 N ATOM 1501 CA PHE A 124 -6.344 -36.343 -19.968 1.00 0.00 C ATOM 1502 C PHE A 124 -7.345 -37.307 -20.600 1.00 0.00 C ATOM 1503 O PHE A 124 -8.374 -37.627 -19.997 1.00 0.00 O ATOM 1504 CB PHE A 124 -5.111 -37.107 -19.459 1.00 0.00 C ATOM 1505 CG PHE A 124 -5.420 -38.210 -18.481 1.00 0.00 C ATOM 1506 CD1 PHE A 124 -5.549 -37.940 -17.130 1.00 0.00 C ATOM 1507 CD2 PHE A 124 -5.572 -39.516 -18.916 1.00 0.00 C ATOM 1508 CE1 PHE A 124 -5.823 -38.951 -16.230 1.00 0.00 C ATOM 1509 CE2 PHE A 124 -5.849 -40.532 -18.024 1.00 0.00 C ATOM 1510 CZ PHE A 124 -5.974 -40.249 -16.678 1.00 0.00 C ATOM 0 H PHE A 124 -7.380 -36.213 -18.158 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.007 -35.629 -20.719 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -4.585 -37.533 -20.313 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -4.430 -36.399 -18.986 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -5.434 -36.926 -16.775 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -5.472 -39.742 -19.967 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.919 -38.727 -15.178 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -5.968 -41.546 -18.378 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.190 -41.041 -15.977 1.00 0.00 H new ATOM 1520 N ALA A 125 -7.050 -37.768 -21.805 1.00 0.00 N ATOM 1521 CA ALA A 125 -7.936 -38.675 -22.513 1.00 0.00 C ATOM 1522 C ALA A 125 -7.358 -40.084 -22.521 1.00 0.00 C ATOM 1523 O ALA A 125 -7.896 -40.956 -21.803 1.00 0.00 O ATOM 1524 CB ALA A 125 -8.174 -38.188 -23.937 1.00 0.00 C ATOM 1525 OXT ALA A 125 -6.364 -40.315 -23.241 1.00 0.00 O ATOM 0 H ALA A 125 -6.200 -37.527 -22.314 1.00 0.00 H new ATOM 0 HA ALA A 125 -8.894 -38.697 -21.993 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -8.840 -38.880 -24.452 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -8.629 -37.198 -23.912 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -7.223 -38.137 -24.468 1.00 0.00 H new TER 1531 ALA A 125