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+ 166:sc= 1.21 (180deg=-0.264) USER MOD Set 1.2: A 108 ASN : amide:sc= -0.366! C(o=0.85!,f=-16!) USER MOD Set 2.1: A 77 TYR OH : rot 144:sc= 2.78 USER MOD Set 2.2: A 124 HIS : no HE2:sc= -12.7! C(o=-10!,f=-23!) USER MOD Single : A 3 THR OG1 : rot 30:sc= 0.144 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0.32) USER MOD Single : A 11 THR OG1 : rot 39:sc= -0.0954 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0196 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0532 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -1.71 K(o=-1.7,f=-2.9) USER MOD Single : A 31 GLN :FLIP amide:sc= -3.91! C(o=-9.4!,f=-3.9!) USER MOD Single : A 32 SER OG : rot 45:sc= 0.04 USER MOD Single : A 37 THR OG1 : rot -163:sc= -0.522! USER MOD Single : A 42 ASN : amide:sc= -3.62! C(o=-3.6!,f=-9.9!) 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= -0.0585 K(o=-0.059,f=-1.3!) USER MOD Single : A 60 ASN : amide:sc= 0.762 K(o=0.76,f=-3.2!) USER MOD Single : A 63 GLN :FLIP amide:sc= -7.21! C(o=-10!,f=-7.2!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 30:sc= -0.153 USER MOD Single : A 71 HIS : no HD1:sc= -0.236 X(o=-0.24,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 141:sc= 0.175 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 83 LYS NZ :NH3+ 171:sc=-0.00201 (180deg=-0.104) USER MOD Single : A 85 MET CE :methyl 164:sc= 0 (180deg=-0.53) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 170:sc= -0.126 USER MOD Single : A 94 SER OG : rot 129:sc= 1.12 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0791 USER MOD Single : A 99 HIS : no HD1:sc=-0.00782 X(o=-0.0078,f=-0.0078) USER MOD Single : A 102 ASN : amide:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : A 110 THR OG1 : rot -67:sc= 1.24 USER MOD Single : A 120 ASN : amide:sc= 0.121 K(o=0.12,f=-2.5!) USER MOD Single : A 128 THR OG1 : rot 2:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 -15.665 9.548 -4.104 1.00 0.00 N ATOM 31 CA THR A 3 -14.332 8.975 -4.160 1.00 0.00 C ATOM 32 C THR A 3 -14.419 7.464 -4.394 1.00 0.00 C ATOM 33 O THR A 3 -15.404 6.844 -3.993 1.00 0.00 O ATOM 34 CB THR A 3 -13.575 9.262 -2.845 1.00 0.00 C ATOM 35 OG1 THR A 3 -13.583 10.671 -2.585 1.00 0.00 O ATOM 36 CG2 THR A 3 -12.138 8.766 -2.897 1.00 0.00 C ATOM 0 HA THR A 3 -13.788 9.431 -4.987 1.00 0.00 H new ATOM 0 HB THR A 3 -14.085 8.726 -2.045 1.00 0.00 H new ATOM 0 HG1 THR A 3 -14.394 11.069 -2.964 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.642 8.988 -1.952 1.00 0.00 H new ATOM 0 HG22 THR A 3 -12.131 7.689 -3.066 1.00 0.00 H new ATOM 0 HG23 THR A 3 -11.610 9.265 -3.710 1.00 0.00 H new ATOM 44 N ILE A 4 -13.419 6.887 -5.061 1.00 0.00 N ATOM 45 CA ILE A 4 -13.407 5.450 -5.368 1.00 0.00 C ATOM 46 C ILE A 4 -13.837 4.625 -4.155 1.00 0.00 C ATOM 47 O ILE A 4 -14.702 3.752 -4.244 1.00 0.00 O ATOM 48 CB ILE A 4 -12.005 4.966 -5.818 1.00 0.00 C ATOM 49 CG1 ILE A 4 -11.461 5.826 -6.967 1.00 0.00 C ATOM 50 CG2 ILE A 4 -12.055 3.503 -6.237 1.00 0.00 C ATOM 51 CD1 ILE A 4 -10.534 6.938 -6.515 1.00 0.00 C ATOM 0 H ILE A 4 -12.601 7.393 -5.402 1.00 0.00 H new ATOM 0 HA ILE A 4 -14.113 5.305 -6.186 1.00 0.00 H new ATOM 0 HB ILE A 4 -11.330 5.068 -4.968 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.928 5.184 -7.668 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -12.299 6.263 -7.510 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -11.062 3.180 -6.550 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -12.386 2.895 -5.395 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -12.753 3.386 -7.066 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.191 7.501 -7.383 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -11.068 7.604 -5.838 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.675 6.509 -5.999 1.00 0.00 H new ATOM 63 N VAL A 5 -13.248 4.952 -3.018 1.00 0.00 N ATOM 64 CA VAL A 5 -13.513 4.263 -1.766 1.00 0.00 C ATOM 65 C VAL A 5 -14.900 4.599 -1.219 1.00 0.00 C ATOM 66 O VAL A 5 -15.564 3.759 -0.626 1.00 0.00 O ATOM 67 CB VAL A 5 -12.453 4.629 -0.713 1.00 0.00 C ATOM 68 CG1 VAL A 5 -12.228 6.128 -0.664 1.00 0.00 C ATOM 69 CG2 VAL A 5 -12.864 4.105 0.638 1.00 0.00 C ATOM 0 H VAL A 5 -12.568 5.708 -2.936 1.00 0.00 H new ATOM 0 HA VAL A 5 -13.472 3.194 -1.974 1.00 0.00 H new ATOM 0 HB VAL A 5 -11.510 4.162 -0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -11.474 6.358 0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.886 6.477 -1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -13.162 6.628 -0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.107 4.369 1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -13.819 4.545 0.924 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.964 3.021 0.593 1.00 0.00 H new ATOM 79 N ASP A 6 -15.316 5.839 -1.410 1.00 0.00 N ATOM 80 CA ASP A 6 -16.625 6.300 -0.954 1.00 0.00 C ATOM 81 C ASP A 6 -17.705 5.401 -1.514 1.00 0.00 C ATOM 82 O ASP A 6 -18.612 4.956 -0.810 1.00 0.00 O ATOM 83 CB ASP A 6 -16.875 7.730 -1.426 1.00 0.00 C ATOM 84 CG ASP A 6 -18.135 8.336 -0.839 1.00 0.00 C ATOM 85 OD1 ASP A 6 -19.224 8.122 -1.406 1.00 0.00 O ATOM 86 OD2 ASP A 6 -18.035 9.033 0.193 1.00 0.00 O1- ATOM 0 H ASP A 6 -14.763 6.554 -1.882 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.645 6.270 0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.020 8.350 -1.156 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.946 7.741 -2.514 1.00 0.00 H new ATOM 91 N ILE A 7 -17.571 5.142 -2.798 1.00 0.00 N ATOM 92 CA ILE A 7 -18.467 4.258 -3.522 1.00 0.00 C ATOM 93 C ILE A 7 -18.528 2.859 -2.900 1.00 0.00 C ATOM 94 O ILE A 7 -19.499 2.141 -3.092 1.00 0.00 O ATOM 95 CB ILE A 7 -18.051 4.172 -5.000 1.00 0.00 C ATOM 96 CG1 ILE A 7 -17.907 5.586 -5.554 1.00 0.00 C ATOM 97 CG2 ILE A 7 -19.079 3.383 -5.809 1.00 0.00 C ATOM 98 CD1 ILE A 7 -17.002 5.678 -6.757 1.00 0.00 C ATOM 0 H ILE A 7 -16.831 5.542 -3.376 1.00 0.00 H new ATOM 0 HA ILE A 7 -19.468 4.683 -3.455 1.00 0.00 H new ATOM 0 HB ILE A 7 -17.098 3.649 -5.077 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -18.894 5.963 -5.823 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -17.520 6.236 -4.769 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -18.763 3.336 -6.851 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -19.160 2.373 -5.408 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -20.049 3.877 -5.746 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -16.949 6.713 -7.094 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -16.004 5.332 -6.489 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -17.398 5.055 -7.559 1.00 0.00 H new ATOM 110 N ALA A 8 -17.513 2.472 -2.137 1.00 0.00 N ATOM 111 CA ALA A 8 -17.538 1.177 -1.463 1.00 0.00 C ATOM 112 C ALA A 8 -18.713 1.106 -0.488 1.00 0.00 C ATOM 113 O ALA A 8 -19.294 0.045 -0.278 1.00 0.00 O ATOM 114 CB ALA A 8 -16.227 0.906 -0.741 1.00 0.00 C ATOM 0 H ALA A 8 -16.673 3.026 -1.970 1.00 0.00 H new ATOM 0 HA ALA A 8 -17.667 0.405 -2.222 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -16.277 -0.065 -0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -15.408 0.907 -1.461 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -16.055 1.682 0.005 1.00 0.00 H new ATOM 120 N VAL A 9 -19.058 2.242 0.103 1.00 0.00 N ATOM 121 CA VAL A 9 -20.261 2.343 0.923 1.00 0.00 C ATOM 122 C VAL A 9 -21.469 2.660 0.042 1.00 0.00 C ATOM 123 O VAL A 9 -22.579 2.188 0.283 1.00 0.00 O ATOM 124 CB VAL A 9 -20.122 3.437 2.004 1.00 0.00 C ATOM 125 CG1 VAL A 9 -21.354 3.481 2.893 1.00 0.00 C ATOM 126 CG2 VAL A 9 -18.873 3.214 2.838 1.00 0.00 C ATOM 0 H VAL A 9 -18.523 3.107 0.031 1.00 0.00 H new ATOM 0 HA VAL A 9 -20.402 1.383 1.420 1.00 0.00 H new ATOM 0 HB VAL A 9 -20.031 4.399 1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -21.232 4.259 3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -22.233 3.698 2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -21.482 2.517 3.385 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -18.795 3.996 3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -18.931 2.242 3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -17.995 3.244 2.193 1.00 0.00 H new ATOM 136 N ASN A 10 -21.223 3.449 -0.994 1.00 0.00 N ATOM 137 CA ASN A 10 -22.268 3.906 -1.913 1.00 0.00 C ATOM 138 C ASN A 10 -22.859 2.743 -2.715 1.00 0.00 C ATOM 139 O ASN A 10 -24.001 2.807 -3.170 1.00 0.00 O ATOM 140 CB ASN A 10 -21.669 4.919 -2.872 1.00 0.00 C ATOM 141 CG ASN A 10 -22.666 5.886 -3.470 1.00 0.00 C ATOM 142 OD1 ASN A 10 -23.858 5.603 -3.584 1.00 0.00 O ATOM 143 ND2 ASN A 10 -22.164 7.037 -3.880 1.00 0.00 N ATOM 0 H ASN A 10 -20.292 3.794 -1.226 1.00 0.00 H new ATOM 0 HA ASN A 10 -23.070 4.355 -1.327 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -20.902 5.487 -2.347 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -21.172 4.384 -3.681 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -22.772 7.734 -4.311 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -21.169 7.229 -3.765 1.00 0.00 H new ATOM 150 N THR A 11 -22.075 1.687 -2.879 1.00 0.00 N ATOM 151 CA THR A 11 -22.469 0.545 -3.692 1.00 0.00 C ATOM 152 C THR A 11 -23.709 -0.151 -3.139 1.00 0.00 C ATOM 153 O THR A 11 -23.846 -0.326 -1.926 1.00 0.00 O ATOM 154 CB THR A 11 -21.339 -0.489 -3.795 1.00 0.00 C ATOM 155 OG1 THR A 11 -20.681 -0.628 -2.534 1.00 0.00 O ATOM 156 CG2 THR A 11 -20.332 -0.108 -4.864 1.00 0.00 C ATOM 0 H THR A 11 -21.152 1.598 -2.454 1.00 0.00 H new ATOM 0 HA THR A 11 -22.694 0.945 -4.681 1.00 0.00 H new ATOM 0 HB THR A 11 -21.786 -1.442 -4.077 1.00 0.00 H new ATOM 0 HG1 THR A 11 -21.345 -0.596 -1.813 1.00 0.00 H new ATOM 0 HG21 THR A 11 -19.546 -0.862 -4.909 1.00 0.00 H new ATOM 0 HG22 THR A 11 -20.833 -0.047 -5.830 1.00 0.00 H new ATOM 0 HG23 THR A 11 -19.893 0.860 -4.622 1.00 0.00 H new ATOM 164 N PRO A 12 -24.639 -0.554 -4.016 1.00 0.00 N ATOM 165 CA PRO A 12 -25.816 -1.312 -3.618 1.00 0.00 C ATOM 166 C PRO A 12 -25.515 -2.795 -3.436 1.00 0.00 C ATOM 167 O PRO A 12 -26.064 -3.644 -4.140 1.00 0.00 O ATOM 168 CB PRO A 12 -26.799 -1.098 -4.781 1.00 0.00 C ATOM 169 CG PRO A 12 -26.129 -0.140 -5.713 1.00 0.00 C ATOM 170 CD PRO A 12 -24.664 -0.275 -5.453 1.00 0.00 C ATOM 0 HA PRO A 12 -26.204 -0.981 -2.655 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -27.022 -2.040 -5.283 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -27.747 -0.696 -4.423 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -26.365 -0.375 -6.751 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -26.466 0.881 -5.533 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -24.218 -1.082 -6.034 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -24.119 0.635 -5.702 1.00 0.00 H new ATOM 178 N GLY A 13 -24.640 -3.098 -2.491 1.00 0.00 N ATOM 179 CA GLY A 13 -24.309 -4.478 -2.209 1.00 0.00 C ATOM 180 C GLY A 13 -23.427 -5.078 -3.278 1.00 0.00 C ATOM 181 O GLY A 13 -23.696 -6.176 -3.770 1.00 0.00 O ATOM 0 H GLY A 13 -24.153 -2.413 -1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -23.804 -4.540 -1.245 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -25.226 -5.061 -2.126 1.00 0.00 H new ATOM 185 N PHE A 14 -22.390 -4.342 -3.657 1.00 0.00 N ATOM 186 CA PHE A 14 -21.440 -4.803 -4.677 1.00 0.00 C ATOM 187 C PHE A 14 -20.642 -6.023 -4.221 1.00 0.00 C ATOM 188 O PHE A 14 -20.952 -6.655 -3.210 1.00 0.00 O ATOM 189 CB PHE A 14 -20.454 -3.693 -5.040 1.00 0.00 C ATOM 190 CG PHE A 14 -20.389 -3.412 -6.514 1.00 0.00 C ATOM 191 CD1 PHE A 14 -21.382 -2.670 -7.134 1.00 0.00 C ATOM 192 CD2 PHE A 14 -19.342 -3.892 -7.282 1.00 0.00 C ATOM 193 CE1 PHE A 14 -21.330 -2.411 -8.488 1.00 0.00 C ATOM 194 CE2 PHE A 14 -19.284 -3.637 -8.638 1.00 0.00 C ATOM 195 CZ PHE A 14 -20.280 -2.895 -9.242 1.00 0.00 C ATOM 0 H PHE A 14 -22.180 -3.420 -3.276 1.00 0.00 H new ATOM 0 HA PHE A 14 -22.038 -5.080 -5.545 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -20.737 -2.780 -4.516 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -19.461 -3.969 -4.686 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -22.207 -2.290 -6.550 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -18.561 -4.473 -6.815 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -22.110 -1.830 -8.958 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -18.461 -4.017 -9.225 1.00 0.00 H new ATOM 0 HZ PHE A 14 -20.237 -2.694 -10.302 1.00 0.00 H new ATOM 205 N SER A 15 -19.612 -6.343 -4.992 1.00 0.00 N ATOM 206 CA SER A 15 -18.690 -7.413 -4.669 1.00 0.00 C ATOM 207 C SER A 15 -18.025 -7.168 -3.315 1.00 0.00 C ATOM 208 O SER A 15 -17.957 -6.033 -2.835 1.00 0.00 O ATOM 209 CB SER A 15 -17.629 -7.483 -5.764 1.00 0.00 C ATOM 210 OG SER A 15 -18.226 -7.389 -7.046 1.00 0.00 O ATOM 0 H SER A 15 -19.395 -5.861 -5.865 1.00 0.00 H new ATOM 0 HA SER A 15 -19.235 -8.355 -4.609 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.909 -6.675 -5.632 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.076 -8.419 -5.682 1.00 0.00 H new ATOM 0 HG SER A 15 -17.530 -7.434 -7.735 1.00 0.00 H new ATOM 216 N THR A 16 -17.515 -8.240 -2.717 1.00 0.00 N ATOM 217 CA THR A 16 -16.869 -8.176 -1.413 1.00 0.00 C ATOM 218 C THR A 16 -15.657 -7.251 -1.444 1.00 0.00 C ATOM 219 O THR A 16 -15.173 -6.815 -0.406 1.00 0.00 O ATOM 220 CB THR A 16 -16.439 -9.577 -0.939 1.00 0.00 C ATOM 221 OG1 THR A 16 -17.480 -10.521 -1.219 1.00 0.00 O ATOM 222 CG2 THR A 16 -16.143 -9.585 0.553 1.00 0.00 C ATOM 0 H THR A 16 -17.538 -9.175 -3.123 1.00 0.00 H new ATOM 0 HA THR A 16 -17.599 -7.775 -0.710 1.00 0.00 H new ATOM 0 HB THR A 16 -15.530 -9.852 -1.474 1.00 0.00 H new ATOM 0 HG1 THR A 16 -17.203 -11.412 -0.918 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.842 -10.587 0.859 1.00 0.00 H new ATOM 0 HG22 THR A 16 -15.338 -8.883 0.768 1.00 0.00 H new ATOM 0 HG23 THR A 16 -17.037 -9.291 1.103 1.00 0.00 H new ATOM 230 N LEU A 17 -15.168 -6.968 -2.644 1.00 0.00 N ATOM 231 CA LEU A 17 -14.075 -6.025 -2.830 1.00 0.00 C ATOM 232 C LEU A 17 -14.371 -4.685 -2.152 1.00 0.00 C ATOM 233 O LEU A 17 -13.465 -4.041 -1.623 1.00 0.00 O ATOM 234 CB LEU A 17 -13.818 -5.808 -4.322 1.00 0.00 C ATOM 235 CG LEU A 17 -13.381 -7.057 -5.090 1.00 0.00 C ATOM 236 CD1 LEU A 17 -13.252 -6.754 -6.574 1.00 0.00 C ATOM 237 CD2 LEU A 17 -12.064 -7.586 -4.541 1.00 0.00 C ATOM 0 H LEU A 17 -15.515 -7.382 -3.509 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.185 -6.449 -2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.727 -5.418 -4.779 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -13.050 -5.042 -4.436 1.00 0.00 H new ATOM 0 HG LEU A 17 -14.144 -7.824 -4.960 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.940 -7.654 -7.103 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.214 -6.420 -6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -12.509 -5.970 -6.722 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.768 -8.474 -5.099 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.294 -6.821 -4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.185 -7.842 -3.488 1.00 0.00 H new ATOM 249 N VAL A 18 -15.637 -4.267 -2.157 1.00 0.00 N ATOM 250 CA VAL A 18 -16.010 -3.004 -1.526 1.00 0.00 C ATOM 251 C VAL A 18 -16.155 -3.196 -0.030 1.00 0.00 C ATOM 252 O VAL A 18 -15.955 -2.276 0.762 1.00 0.00 O ATOM 253 CB VAL A 18 -17.321 -2.428 -2.102 1.00 0.00 C ATOM 254 CG1 VAL A 18 -17.283 -2.471 -3.615 1.00 0.00 C ATOM 255 CG2 VAL A 18 -18.550 -3.160 -1.570 1.00 0.00 C ATOM 0 H VAL A 18 -16.410 -4.777 -2.585 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.214 -2.290 -1.736 1.00 0.00 H new ATOM 0 HB VAL A 18 -17.402 -1.391 -1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -18.212 -2.063 -4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -16.442 -1.878 -3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -17.168 -3.503 -3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -19.450 -2.722 -2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -18.493 -4.214 -1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -18.587 -3.068 -0.484 1.00 0.00 H new ATOM 265 N THR A 19 -16.509 -4.406 0.348 1.00 0.00 N ATOM 266 CA THR A 19 -16.733 -4.725 1.736 1.00 0.00 C ATOM 267 C THR A 19 -15.420 -4.960 2.463 1.00 0.00 C ATOM 268 O THR A 19 -15.317 -4.703 3.651 1.00 0.00 O ATOM 269 CB THR A 19 -17.630 -5.954 1.883 1.00 0.00 C ATOM 270 OG1 THR A 19 -18.546 -6.014 0.781 1.00 0.00 O ATOM 271 CG2 THR A 19 -18.404 -5.876 3.186 1.00 0.00 C ATOM 0 H THR A 19 -16.648 -5.187 -0.293 1.00 0.00 H new ATOM 0 HA THR A 19 -17.235 -3.869 2.186 1.00 0.00 H new ATOM 0 HB THR A 19 -17.011 -6.851 1.889 1.00 0.00 H new ATOM 0 HG1 THR A 19 -19.120 -6.803 0.875 1.00 0.00 H new ATOM 0 HG21 THR A 19 -19.041 -6.755 3.284 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.706 -5.839 4.022 1.00 0.00 H new ATOM 0 HG23 THR A 19 -19.022 -4.978 3.189 1.00 0.00 H new ATOM 279 N ALA A 20 -14.419 -5.426 1.737 1.00 0.00 N ATOM 280 CA ALA A 20 -13.111 -5.709 2.308 1.00 0.00 C ATOM 281 C ALA A 20 -12.447 -4.448 2.859 1.00 0.00 C ATOM 282 O ALA A 20 -11.771 -4.497 3.879 1.00 0.00 O ATOM 283 CB ALA A 20 -12.250 -6.396 1.277 1.00 0.00 C ATOM 0 H ALA A 20 -14.488 -5.619 0.738 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.237 -6.380 3.158 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.270 -6.608 1.704 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.723 -7.330 0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.134 -5.747 0.409 1.00 0.00 H new ATOM 289 N VAL A 21 -12.649 -3.315 2.204 1.00 0.00 N ATOM 290 CA VAL A 21 -12.201 -2.043 2.766 1.00 0.00 C ATOM 291 C VAL A 21 -13.177 -1.573 3.850 1.00 0.00 C ATOM 292 O VAL A 21 -12.764 -1.022 4.874 1.00 0.00 O ATOM 293 CB VAL A 21 -12.031 -0.946 1.686 1.00 0.00 C ATOM 294 CG1 VAL A 21 -13.137 -1.013 0.639 1.00 0.00 C ATOM 295 CG2 VAL A 21 -12.012 0.421 2.343 1.00 0.00 C ATOM 0 H VAL A 21 -13.112 -3.246 1.298 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.219 -2.213 3.207 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.084 -1.118 1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.985 -0.228 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.114 -1.986 0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -14.104 -0.873 1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.892 1.190 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.949 0.582 2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.181 0.475 3.046 1.00 0.00 H new ATOM 305 N LYS A 22 -14.465 -1.829 3.634 1.00 0.00 N ATOM 306 CA LYS A 22 -15.503 -1.440 4.585 1.00 0.00 C ATOM 307 C LYS A 22 -15.297 -2.126 5.927 1.00 0.00 C ATOM 308 O LYS A 22 -15.395 -1.504 6.985 1.00 0.00 O ATOM 309 CB LYS A 22 -16.895 -1.792 4.036 1.00 0.00 C ATOM 310 CG LYS A 22 -17.613 -0.633 3.377 1.00 0.00 C ATOM 311 CD LYS A 22 -19.071 -0.935 3.096 1.00 0.00 C ATOM 312 CE LYS A 22 -19.254 -1.975 2.003 1.00 0.00 C ATOM 313 NZ LYS A 22 -20.683 -2.340 1.823 1.00 0.00 N1+ ATOM 0 H LYS A 22 -14.816 -2.307 2.804 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.435 -0.362 4.729 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.794 -2.601 3.313 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.511 -2.169 4.853 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.545 0.245 4.020 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.111 -0.383 2.442 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -19.548 -1.287 4.011 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -19.579 -0.015 2.806 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.856 -1.590 1.064 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.679 -2.867 2.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.767 -3.051 1.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -21.056 -2.731 2.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -21.227 -1.493 1.562 1.00 0.00 H new ATOM 327 N VAL A 23 -14.989 -3.408 5.869 1.00 0.00 N ATOM 328 CA VAL A 23 -14.788 -4.210 7.063 1.00 0.00 C ATOM 329 C VAL A 23 -13.460 -3.852 7.712 1.00 0.00 C ATOM 330 O VAL A 23 -13.334 -3.810 8.935 1.00 0.00 O ATOM 331 CB VAL A 23 -14.821 -5.720 6.737 1.00 0.00 C ATOM 332 CG1 VAL A 23 -13.736 -6.089 5.739 1.00 0.00 C ATOM 333 CG2 VAL A 23 -14.676 -6.523 8.010 1.00 0.00 C ATOM 0 H VAL A 23 -14.871 -3.922 4.996 1.00 0.00 H new ATOM 0 HA VAL A 23 -15.602 -3.994 7.755 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.782 -5.955 6.279 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.783 -7.157 5.529 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -13.886 -5.530 4.815 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -12.759 -5.844 6.156 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -14.700 -7.587 7.774 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -13.727 -6.279 8.488 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -15.496 -6.283 8.687 1.00 0.00 H new ATOM 343 N ALA A 24 -12.485 -3.560 6.866 1.00 0.00 N ATOM 344 CA ALA A 24 -11.150 -3.209 7.315 1.00 0.00 C ATOM 345 C ALA A 24 -11.105 -1.807 7.897 1.00 0.00 C ATOM 346 O ALA A 24 -10.064 -1.369 8.352 1.00 0.00 O ATOM 347 CB ALA A 24 -10.179 -3.287 6.170 1.00 0.00 C ATOM 0 H ALA A 24 -12.597 -3.560 5.852 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.874 -3.921 8.093 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.182 -3.021 6.520 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.166 -4.302 5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.485 -2.594 5.386 1.00 0.00 H new ATOM 353 N ASN A 25 -12.237 -1.108 7.826 1.00 0.00 N ATOM 354 CA ASN A 25 -12.399 0.251 8.340 1.00 0.00 C ATOM 355 C ASN A 25 -11.613 1.289 7.534 1.00 0.00 C ATOM 356 O ASN A 25 -11.555 2.462 7.901 1.00 0.00 O ATOM 357 CB ASN A 25 -12.086 0.317 9.848 1.00 0.00 C ATOM 358 CG ASN A 25 -10.644 0.657 10.235 1.00 0.00 C ATOM 359 OD1 ASN A 25 -9.887 -0.217 10.650 1.00 0.00 O ATOM 360 ND2 ASN A 25 -10.257 1.918 10.132 1.00 0.00 N ATOM 0 H ASN A 25 -13.086 -1.479 7.400 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.449 0.516 8.213 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -12.744 1.059 10.300 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -12.340 -0.646 10.291 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.310 2.184 10.400 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.906 2.624 9.784 1.00 0.00 H new ATOM 367 N LEU A 26 -11.068 0.883 6.395 1.00 0.00 N ATOM 368 CA LEU A 26 -10.307 1.807 5.565 1.00 0.00 C ATOM 369 C LEU A 26 -11.198 2.563 4.603 1.00 0.00 C ATOM 370 O LEU A 26 -10.708 3.294 3.744 1.00 0.00 O ATOM 371 CB LEU A 26 -9.189 1.102 4.805 1.00 0.00 C ATOM 372 CG LEU A 26 -7.865 0.999 5.571 1.00 0.00 C ATOM 373 CD1 LEU A 26 -7.986 0.026 6.721 1.00 0.00 C ATOM 374 CD2 LEU A 26 -6.735 0.602 4.643 1.00 0.00 C ATOM 0 H LEU A 26 -11.137 -0.066 6.028 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.852 2.527 6.245 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.522 0.097 4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.012 1.633 3.869 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.633 1.981 5.982 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.035 -0.031 7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.763 0.367 7.406 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.248 -0.960 6.337 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.806 0.535 5.209 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.956 -0.366 4.193 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.629 1.351 3.858 1.00 0.00 H new ATOM 386 N VAL A 27 -12.502 2.396 4.757 1.00 0.00 N ATOM 387 CA VAL A 27 -13.458 3.130 3.946 1.00 0.00 C ATOM 388 C VAL A 27 -13.266 4.621 4.149 1.00 0.00 C ATOM 389 O VAL A 27 -13.390 5.407 3.222 1.00 0.00 O ATOM 390 CB VAL A 27 -14.907 2.714 4.278 1.00 0.00 C ATOM 391 CG1 VAL A 27 -15.758 3.893 4.739 1.00 0.00 C ATOM 392 CG2 VAL A 27 -15.539 2.030 3.076 1.00 0.00 C ATOM 0 H VAL A 27 -12.921 1.760 5.435 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.280 2.890 2.898 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.866 2.012 5.111 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -16.768 3.548 4.960 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -15.319 4.330 5.636 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.796 4.645 3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -16.561 1.740 3.318 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -15.548 2.717 2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -14.961 1.143 2.817 1.00 0.00 H new ATOM 402 N GLU A 28 -12.955 4.991 5.375 1.00 0.00 N ATOM 403 CA GLU A 28 -12.658 6.374 5.708 1.00 0.00 C ATOM 404 C GLU A 28 -11.183 6.711 5.459 1.00 0.00 C ATOM 405 O GLU A 28 -10.827 7.874 5.278 1.00 0.00 O ATOM 406 CB GLU A 28 -13.031 6.644 7.158 1.00 0.00 C ATOM 407 CG GLU A 28 -12.590 5.544 8.107 1.00 0.00 C ATOM 408 CD GLU A 28 -12.844 5.882 9.559 1.00 0.00 C ATOM 409 OE1 GLU A 28 -12.148 6.767 10.098 1.00 0.00 O ATOM 410 OE2 GLU A 28 -13.736 5.260 10.171 1.00 0.00 O1- ATOM 0 H GLU A 28 -12.901 4.348 6.165 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.252 7.016 5.057 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.582 7.586 7.472 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.112 6.766 7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.116 4.623 7.856 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.526 5.353 7.964 1.00 0.00 H new ATOM 417 N ALA A 29 -10.336 5.689 5.433 1.00 0.00 N ATOM 418 CA ALA A 29 -8.901 5.881 5.276 1.00 0.00 C ATOM 419 C ALA A 29 -8.528 6.218 3.832 1.00 0.00 C ATOM 420 O ALA A 29 -7.883 7.234 3.573 1.00 0.00 O ATOM 421 CB ALA A 29 -8.145 4.646 5.749 1.00 0.00 C ATOM 0 H ALA A 29 -10.621 4.714 5.519 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.613 6.731 5.895 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.074 4.805 5.625 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.366 4.465 6.801 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.454 3.783 5.160 1.00 0.00 H new ATOM 427 N LEU A 30 -8.941 5.358 2.901 1.00 0.00 N ATOM 428 CA LEU A 30 -8.656 5.533 1.466 1.00 0.00 C ATOM 429 C LEU A 30 -9.198 6.856 0.907 1.00 0.00 C ATOM 430 O LEU A 30 -8.908 7.225 -0.228 1.00 0.00 O ATOM 431 CB LEU A 30 -9.277 4.405 0.659 1.00 0.00 C ATOM 432 CG LEU A 30 -9.074 3.000 1.205 1.00 0.00 C ATOM 433 CD1 LEU A 30 -9.675 1.999 0.249 1.00 0.00 C ATOM 434 CD2 LEU A 30 -7.609 2.694 1.438 1.00 0.00 C ATOM 0 H LEU A 30 -9.482 4.520 3.114 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.570 5.532 1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.348 4.590 0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.870 4.442 -0.352 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.575 2.933 2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.530 0.991 0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.741 2.196 0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.188 2.086 -0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.506 1.681 1.828 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.066 2.777 0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.199 3.403 2.157 1.00 0.00 H new ATOM 446 N GLN A 31 -10.001 7.546 1.706 1.00 0.00 N ATOM 447 CA GLN A 31 -10.660 8.794 1.290 1.00 0.00 C ATOM 448 C GLN A 31 -9.672 9.947 1.160 1.00 0.00 C ATOM 449 O GLN A 31 -10.074 11.085 0.916 1.00 0.00 O ATOM 450 CB GLN A 31 -11.727 9.180 2.304 1.00 0.00 C ATOM 451 CG GLN A 31 -12.756 8.105 2.523 1.00 0.00 C ATOM 452 CD GLN A 31 -13.906 8.162 1.554 1.00 0.00 C ATOM 453 OE1 GLN A 31 -14.348 6.998 1.132 1.00 0.00 O flip ATOM 454 NE2 GLN A 31 -14.347 9.232 1.141 1.00 0.00 N flip ATOM 0 H GLN A 31 -10.219 7.263 2.662 1.00 0.00 H new ATOM 0 HA GLN A 31 -11.107 8.611 0.313 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.248 9.413 3.255 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.227 10.088 1.967 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.273 7.131 2.444 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.144 8.187 3.538 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.972 10.110 1.499 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.088 9.242 0.440 1.00 0.00 H new ATOM 463 N SER A 32 -8.398 9.635 1.340 1.00 0.00 N ATOM 464 CA SER A 32 -7.321 10.616 1.300 1.00 0.00 C ATOM 465 C SER A 32 -7.413 11.534 0.079 1.00 0.00 C ATOM 466 O SER A 32 -7.258 11.087 -1.060 1.00 0.00 O ATOM 467 CB SER A 32 -5.988 9.878 1.303 1.00 0.00 C ATOM 468 OG SER A 32 -6.026 8.764 0.427 1.00 0.00 O ATOM 0 H SER A 32 -8.078 8.683 1.520 1.00 0.00 H new ATOM 0 HA SER A 32 -7.408 11.254 2.179 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.191 10.557 1.000 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.755 9.543 2.314 1.00 0.00 H new ATOM 0 HG SER A 32 -6.437 9.029 -0.422 1.00 0.00 H new ATOM 474 N PRO A 33 -7.694 12.830 0.305 1.00 0.00 N ATOM 475 CA PRO A 33 -7.729 13.838 -0.752 1.00 0.00 C ATOM 476 C PRO A 33 -6.331 14.322 -1.098 1.00 0.00 C ATOM 477 O PRO A 33 -6.118 15.014 -2.097 1.00 0.00 O ATOM 478 CB PRO A 33 -8.546 14.988 -0.141 1.00 0.00 C ATOM 479 CG PRO A 33 -8.946 14.531 1.228 1.00 0.00 C ATOM 480 CD PRO A 33 -8.009 13.425 1.605 1.00 0.00 C ATOM 0 HA PRO A 33 -8.156 13.448 -1.676 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.954 15.902 -0.089 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.423 15.210 -0.750 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.884 15.351 1.943 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.978 14.182 1.233 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -7.118 13.800 2.108 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.477 12.707 2.279 1.00 0.00 H new ATOM 488 N GLY A 34 -5.387 13.969 -0.244 1.00 0.00 N ATOM 489 CA GLY A 34 -4.014 14.385 -0.426 1.00 0.00 C ATOM 490 C GLY A 34 -3.252 13.515 -1.411 1.00 0.00 C ATOM 491 O GLY A 34 -3.762 13.186 -2.487 1.00 0.00 O ATOM 0 H GLY A 34 -5.550 13.394 0.583 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.997 15.418 -0.774 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.504 14.365 0.537 1.00 0.00 H new ATOM 495 N PRO A 35 -2.019 13.128 -1.065 1.00 0.00 N ATOM 496 CA PRO A 35 -1.166 12.341 -1.936 1.00 0.00 C ATOM 497 C PRO A 35 -1.435 10.841 -1.845 1.00 0.00 C ATOM 498 O PRO A 35 -2.149 10.376 -0.959 1.00 0.00 O ATOM 499 CB PRO A 35 0.240 12.657 -1.437 1.00 0.00 C ATOM 500 CG PRO A 35 0.094 13.223 -0.060 1.00 0.00 C ATOM 501 CD PRO A 35 -1.366 13.424 0.213 1.00 0.00 C ATOM 0 HA PRO A 35 -1.334 12.588 -2.984 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.856 11.758 -1.422 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.733 13.370 -2.098 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.529 12.547 0.677 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.629 14.169 0.021 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -1.718 12.760 1.002 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.573 14.444 0.538 1.00 0.00 H new ATOM 509 N PHE A 36 -0.820 10.091 -2.749 1.00 0.00 N ATOM 510 CA PHE A 36 -1.042 8.659 -2.851 1.00 0.00 C ATOM 511 C PHE A 36 0.283 7.972 -3.107 1.00 0.00 C ATOM 512 O PHE A 36 1.007 8.308 -4.041 1.00 0.00 O ATOM 513 CB PHE A 36 -2.105 8.397 -3.951 1.00 0.00 C ATOM 514 CG PHE A 36 -1.914 7.209 -4.877 1.00 0.00 C ATOM 515 CD1 PHE A 36 -0.857 7.147 -5.777 1.00 0.00 C ATOM 516 CD2 PHE A 36 -2.833 6.172 -4.873 1.00 0.00 C ATOM 517 CE1 PHE A 36 -0.717 6.074 -6.637 1.00 0.00 C ATOM 518 CE2 PHE A 36 -2.696 5.095 -5.730 1.00 0.00 C ATOM 519 CZ PHE A 36 -1.637 5.047 -6.611 1.00 0.00 C ATOM 0 H PHE A 36 -0.155 10.459 -3.430 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.436 8.242 -1.924 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.070 8.281 -3.458 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.169 9.292 -4.570 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.134 7.949 -5.805 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.669 6.205 -4.190 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.112 6.040 -7.329 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.418 4.292 -5.709 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.528 4.206 -7.280 1.00 0.00 H new ATOM 529 N THR A 37 0.624 7.055 -2.239 1.00 0.00 N ATOM 530 CA THR A 37 1.907 6.416 -2.288 1.00 0.00 C ATOM 531 C THR A 37 1.749 4.903 -2.307 1.00 0.00 C ATOM 532 O THR A 37 1.178 4.317 -1.393 1.00 0.00 O ATOM 533 CB THR A 37 2.731 6.863 -1.078 1.00 0.00 C ATOM 534 OG1 THR A 37 2.327 8.184 -0.715 1.00 0.00 O ATOM 535 CG2 THR A 37 4.194 6.892 -1.435 1.00 0.00 C ATOM 0 H THR A 37 0.021 6.733 -1.482 1.00 0.00 H new ATOM 0 HA THR A 37 2.425 6.705 -3.202 1.00 0.00 H new ATOM 0 HB THR A 37 2.571 6.168 -0.254 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.004 8.584 -0.131 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.774 7.211 -0.569 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.514 5.895 -1.739 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.354 7.591 -2.256 1.00 0.00 H new ATOM 543 N VAL A 38 2.241 4.274 -3.355 1.00 0.00 N ATOM 544 CA VAL A 38 2.010 2.856 -3.545 1.00 0.00 C ATOM 545 C VAL A 38 3.319 2.075 -3.524 1.00 0.00 C ATOM 546 O VAL A 38 4.364 2.566 -3.958 1.00 0.00 O ATOM 547 CB VAL A 38 1.264 2.581 -4.875 1.00 0.00 C ATOM 548 CG1 VAL A 38 2.181 2.757 -6.065 1.00 0.00 C ATOM 549 CG2 VAL A 38 0.641 1.195 -4.875 1.00 0.00 C ATOM 0 H VAL A 38 2.800 4.718 -4.084 1.00 0.00 H new ATOM 0 HA VAL A 38 1.387 2.521 -2.716 1.00 0.00 H new ATOM 0 HB VAL A 38 0.461 3.313 -4.960 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.628 2.557 -6.983 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.560 3.779 -6.085 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.017 2.062 -5.986 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.124 1.029 -5.820 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.422 0.445 -4.752 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.071 1.116 -4.053 1.00 0.00 H new ATOM 559 N PHE A 39 3.263 0.872 -2.985 1.00 0.00 N ATOM 560 CA PHE A 39 4.365 -0.062 -3.106 1.00 0.00 C ATOM 561 C PHE A 39 4.098 -0.930 -4.325 1.00 0.00 C ATOM 562 O PHE A 39 3.188 -1.761 -4.306 1.00 0.00 O ATOM 563 CB PHE A 39 4.474 -0.969 -1.874 1.00 0.00 C ATOM 564 CG PHE A 39 4.507 -0.248 -0.563 1.00 0.00 C ATOM 565 CD1 PHE A 39 5.684 0.293 -0.096 1.00 0.00 C ATOM 566 CD2 PHE A 39 3.365 -0.132 0.211 1.00 0.00 C ATOM 567 CE1 PHE A 39 5.730 0.947 1.122 1.00 0.00 C ATOM 568 CE2 PHE A 39 3.402 0.515 1.429 1.00 0.00 C ATOM 569 CZ PHE A 39 4.586 1.056 1.886 1.00 0.00 C ATOM 0 H PHE A 39 2.464 0.518 -2.458 1.00 0.00 H new ATOM 0 HA PHE A 39 5.297 0.496 -3.197 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.630 -1.658 -1.872 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.377 -1.572 -1.963 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.583 0.206 -0.688 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.435 -0.553 -0.142 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.659 1.371 1.474 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.505 0.598 2.024 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.617 1.563 2.839 1.00 0.00 H new ATOM 579 N ALA A 40 4.867 -0.737 -5.373 1.00 0.00 N ATOM 580 CA ALA A 40 4.629 -1.438 -6.629 1.00 0.00 C ATOM 581 C ALA A 40 5.413 -2.744 -6.692 1.00 0.00 C ATOM 582 O ALA A 40 6.637 -2.736 -6.759 1.00 0.00 O ATOM 583 CB ALA A 40 4.996 -0.550 -7.804 1.00 0.00 C ATOM 0 H ALA A 40 5.665 -0.101 -5.387 1.00 0.00 H new ATOM 0 HA ALA A 40 3.567 -1.680 -6.682 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.814 -1.086 -8.736 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.388 0.354 -7.780 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.050 -0.280 -7.741 1.00 0.00 H new ATOM 589 N PRO A 41 4.726 -3.888 -6.662 1.00 0.00 N ATOM 590 CA PRO A 41 5.381 -5.188 -6.753 1.00 0.00 C ATOM 591 C PRO A 41 5.768 -5.527 -8.191 1.00 0.00 C ATOM 592 O PRO A 41 4.940 -5.444 -9.100 1.00 0.00 O ATOM 593 CB PRO A 41 4.312 -6.148 -6.234 1.00 0.00 C ATOM 594 CG PRO A 41 3.011 -5.495 -6.562 1.00 0.00 C ATOM 595 CD PRO A 41 3.260 -4.007 -6.541 1.00 0.00 C ATOM 0 HA PRO A 41 6.314 -5.231 -6.191 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.394 -7.125 -6.711 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.413 -6.308 -5.161 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.653 -5.814 -7.541 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.245 -5.770 -5.837 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.750 -3.505 -7.363 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.898 -3.555 -5.618 1.00 0.00 H new ATOM 603 N ASN A 42 7.030 -5.895 -8.410 1.00 0.00 N ATOM 604 CA ASN A 42 7.478 -6.236 -9.759 1.00 0.00 C ATOM 605 C ASN A 42 7.076 -7.663 -10.095 1.00 0.00 C ATOM 606 O ASN A 42 6.401 -8.323 -9.301 1.00 0.00 O ATOM 607 CB ASN A 42 9.001 -6.039 -9.937 1.00 0.00 C ATOM 608 CG ASN A 42 9.842 -7.245 -9.613 1.00 0.00 C ATOM 609 OD1 ASN A 42 10.101 -8.095 -10.458 1.00 0.00 O ATOM 610 ND2 ASN A 42 10.304 -7.298 -8.399 1.00 0.00 N ATOM 0 H ASN A 42 7.747 -5.964 -7.688 1.00 0.00 H new ATOM 0 HA ASN A 42 6.988 -5.553 -10.453 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.196 -5.746 -10.969 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.321 -5.211 -9.304 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.908 -8.070 -8.117 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.062 -6.568 -7.729 1.00 0.00 H new ATOM 617 N ASP A 43 7.499 -8.138 -11.251 1.00 0.00 N ATOM 618 CA ASP A 43 7.147 -9.482 -11.713 1.00 0.00 C ATOM 619 C ASP A 43 7.521 -10.551 -10.688 1.00 0.00 C ATOM 620 O ASP A 43 6.823 -11.554 -10.545 1.00 0.00 O ATOM 621 CB ASP A 43 7.826 -9.800 -13.048 1.00 0.00 C ATOM 622 CG ASP A 43 7.213 -9.056 -14.217 1.00 0.00 C ATOM 623 OD1 ASP A 43 6.239 -9.571 -14.812 1.00 0.00 O ATOM 624 OD2 ASP A 43 7.703 -7.958 -14.557 1.00 0.00 O1- ATOM 0 H ASP A 43 8.091 -7.615 -11.896 1.00 0.00 H new ATOM 0 HA ASP A 43 6.065 -9.494 -11.847 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.884 -9.549 -12.980 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.764 -10.872 -13.234 1.00 0.00 H new ATOM 629 N ASP A 44 8.592 -10.319 -9.938 1.00 0.00 N ATOM 630 CA ASP A 44 9.098 -11.332 -9.022 1.00 0.00 C ATOM 631 C ASP A 44 8.316 -11.268 -7.729 1.00 0.00 C ATOM 632 O ASP A 44 8.200 -12.244 -6.998 1.00 0.00 O ATOM 633 CB ASP A 44 10.581 -11.124 -8.746 1.00 0.00 C ATOM 634 CG ASP A 44 11.229 -12.331 -8.093 1.00 0.00 C ATOM 635 OD1 ASP A 44 11.090 -12.513 -6.865 1.00 0.00 O ATOM 636 OD2 ASP A 44 11.877 -13.116 -8.817 1.00 0.00 O1- ATOM 0 H ASP A 44 9.122 -9.447 -9.946 1.00 0.00 H new ATOM 0 HA ASP A 44 8.975 -12.314 -9.479 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.093 -10.904 -9.682 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.708 -10.255 -8.101 1.00 0.00 H new ATOM 641 N ALA A 45 7.748 -10.105 -7.479 1.00 0.00 N ATOM 642 CA ALA A 45 6.930 -9.893 -6.309 1.00 0.00 C ATOM 643 C ALA A 45 5.538 -10.444 -6.554 1.00 0.00 C ATOM 644 O ALA A 45 4.901 -10.982 -5.654 1.00 0.00 O ATOM 645 CB ALA A 45 6.883 -8.427 -5.973 1.00 0.00 C ATOM 0 H ALA A 45 7.842 -9.286 -8.080 1.00 0.00 H new ATOM 0 HA ALA A 45 7.364 -10.420 -5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.264 -8.276 -5.089 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.892 -8.067 -5.775 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.459 -7.875 -6.812 1.00 0.00 H new ATOM 769 N ILE A 54 0.389 -11.239 1.721 1.00 0.00 N ATOM 770 CA ILE A 54 -0.749 -10.460 2.127 1.00 0.00 C ATOM 771 C ILE A 54 -1.708 -11.270 2.981 1.00 0.00 C ATOM 772 O ILE A 54 -2.451 -10.722 3.792 1.00 0.00 O ATOM 773 CB ILE A 54 -1.444 -9.858 0.895 1.00 0.00 C ATOM 774 CG1 ILE A 54 -1.198 -8.361 0.904 1.00 0.00 C ATOM 775 CG2 ILE A 54 -2.942 -10.156 0.856 1.00 0.00 C ATOM 776 CD1 ILE A 54 0.249 -7.954 0.775 1.00 0.00 C ATOM 0 HA ILE A 54 -0.398 -9.639 2.753 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.024 -10.316 -0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.761 -7.910 0.087 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.595 -7.948 1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.379 -9.706 -0.035 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.098 -11.235 0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.419 -9.740 1.743 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.324 -6.867 0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.819 -8.370 1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.651 -8.331 -0.165 1.00 0.00 H new ATOM 788 N THR A 55 -1.666 -12.571 2.805 1.00 0.00 N ATOM 789 CA THR A 55 -2.437 -13.475 3.637 1.00 0.00 C ATOM 790 C THR A 55 -2.138 -13.271 5.123 1.00 0.00 C ATOM 791 O THR A 55 -3.029 -13.346 5.948 1.00 0.00 O ATOM 792 CB THR A 55 -2.175 -14.938 3.276 1.00 0.00 C ATOM 793 OG1 THR A 55 -2.453 -15.162 1.886 1.00 0.00 O ATOM 794 CG2 THR A 55 -3.032 -15.848 4.139 1.00 0.00 C ATOM 0 H THR A 55 -1.104 -13.032 2.090 1.00 0.00 H new ATOM 0 HA THR A 55 -3.485 -13.242 3.448 1.00 0.00 H new ATOM 0 HB THR A 55 -1.125 -15.165 3.462 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.280 -16.101 1.665 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.839 -16.888 3.875 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.788 -15.689 5.189 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.085 -15.621 3.973 1.00 0.00 H new ATOM 802 N SER A 56 -0.892 -12.997 5.460 1.00 0.00 N ATOM 803 CA SER A 56 -0.520 -12.751 6.841 1.00 0.00 C ATOM 804 C SER A 56 -0.841 -11.312 7.200 1.00 0.00 C ATOM 805 O SER A 56 -1.129 -10.977 8.348 1.00 0.00 O ATOM 806 CB SER A 56 0.967 -13.046 7.051 1.00 0.00 C ATOM 807 OG SER A 56 1.358 -12.798 8.392 1.00 0.00 O ATOM 0 H SER A 56 -0.120 -12.939 4.796 1.00 0.00 H new ATOM 0 HA SER A 56 -1.089 -13.413 7.494 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.173 -14.086 6.796 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.561 -12.429 6.377 1.00 0.00 H new ATOM 0 HG SER A 56 2.312 -12.997 8.497 1.00 0.00 H new ATOM 813 N LEU A 57 -0.824 -10.480 6.184 1.00 0.00 N ATOM 814 CA LEU A 57 -1.127 -9.067 6.331 1.00 0.00 C ATOM 815 C LEU A 57 -2.620 -8.853 6.558 1.00 0.00 C ATOM 816 O LEU A 57 -3.022 -7.846 7.135 1.00 0.00 O ATOM 817 CB LEU A 57 -0.660 -8.296 5.110 1.00 0.00 C ATOM 818 CG LEU A 57 0.791 -7.792 5.152 1.00 0.00 C ATOM 819 CD1 LEU A 57 1.763 -8.939 5.383 1.00 0.00 C ATOM 820 CD2 LEU A 57 1.149 -7.060 3.861 1.00 0.00 C ATOM 0 H LEU A 57 -0.600 -10.760 5.229 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.593 -8.693 7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.778 -8.934 4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.319 -7.439 4.971 1.00 0.00 H new ATOM 0 HG LEU A 57 0.873 -7.095 5.986 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.782 -8.553 5.408 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.535 -9.423 6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.669 -9.664 4.574 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.181 -6.712 3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.038 -7.738 3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.485 -6.206 3.731 1.00 0.00 H new ATOM 832 N VAL A 58 -3.447 -9.791 6.095 1.00 0.00 N ATOM 833 CA VAL A 58 -4.879 -9.701 6.340 1.00 0.00 C ATOM 834 C VAL A 58 -5.192 -10.167 7.755 1.00 0.00 C ATOM 835 O VAL A 58 -6.153 -9.717 8.375 1.00 0.00 O ATOM 836 CB VAL A 58 -5.707 -10.526 5.333 1.00 0.00 C ATOM 837 CG1 VAL A 58 -5.532 -12.015 5.579 1.00 0.00 C ATOM 838 CG2 VAL A 58 -7.174 -10.133 5.401 1.00 0.00 C ATOM 0 H VAL A 58 -3.153 -10.607 5.558 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.159 -8.655 6.214 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.341 -10.308 4.330 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.126 -12.575 4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.481 -12.281 5.469 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.864 -12.259 6.588 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.743 -10.725 4.684 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.554 -10.317 6.406 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.279 -9.075 5.162 1.00 0.00 H new ATOM 848 N GLN A 59 -4.364 -11.074 8.261 1.00 0.00 N ATOM 849 CA GLN A 59 -4.510 -11.565 9.616 1.00 0.00 C ATOM 850 C GLN A 59 -4.098 -10.465 10.580 1.00 0.00 C ATOM 851 O GLN A 59 -4.546 -10.384 11.724 1.00 0.00 O ATOM 852 CB GLN A 59 -3.619 -12.781 9.797 1.00 0.00 C ATOM 853 CG GLN A 59 -3.701 -13.726 8.620 1.00 0.00 C ATOM 854 CD GLN A 59 -4.838 -14.719 8.701 1.00 0.00 C ATOM 855 OE1 GLN A 59 -5.283 -15.104 9.782 1.00 0.00 O ATOM 856 NE2 GLN A 59 -5.307 -15.151 7.543 1.00 0.00 N ATOM 0 H GLN A 59 -3.583 -11.482 7.747 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.544 -11.848 9.812 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.587 -12.457 9.930 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.907 -13.309 10.706 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.808 -13.142 7.706 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.761 -14.272 8.541 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -4.908 -14.805 6.670 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.068 -15.830 7.522 1.00 0.00 H new ATOM 865 N ASN A 60 -3.223 -9.634 10.057 1.00 0.00 N ATOM 866 CA ASN A 60 -2.716 -8.457 10.712 1.00 0.00 C ATOM 867 C ASN A 60 -3.788 -7.368 10.793 1.00 0.00 C ATOM 868 O ASN A 60 -4.843 -7.501 10.175 1.00 0.00 O ATOM 869 CB ASN A 60 -1.507 -7.959 9.929 1.00 0.00 C ATOM 870 CG ASN A 60 -0.187 -8.368 10.545 1.00 0.00 C ATOM 871 OD1 ASN A 60 0.364 -7.660 11.388 1.00 0.00 O ATOM 872 ND2 ASN A 60 0.330 -9.508 10.133 1.00 0.00 N ATOM 0 H ASN A 60 -2.832 -9.769 9.125 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.427 -8.703 11.734 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.559 -8.343 8.910 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.548 -6.872 9.863 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.218 -9.833 10.515 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.158 -10.066 9.432 1.00 0.00 H new ATOM 879 N PRO A 61 -3.554 -6.323 11.613 1.00 0.00 N ATOM 880 CA PRO A 61 -4.428 -5.131 11.717 1.00 0.00 C ATOM 881 C PRO A 61 -5.009 -4.636 10.368 1.00 0.00 C ATOM 882 O PRO A 61 -4.575 -5.075 9.308 1.00 0.00 O ATOM 883 CB PRO A 61 -3.463 -4.097 12.303 1.00 0.00 C ATOM 884 CG PRO A 61 -2.591 -4.888 13.209 1.00 0.00 C ATOM 885 CD PRO A 61 -2.411 -6.226 12.546 1.00 0.00 C ATOM 0 HA PRO A 61 -5.322 -5.332 12.307 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.884 -3.605 11.522 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.996 -3.316 12.845 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -1.631 -4.393 13.357 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.048 -4.998 14.193 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.459 -6.284 12.018 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.421 -7.037 13.275 1.00 0.00 H new ATOM 893 N PRO A 62 -6.005 -3.705 10.436 1.00 0.00 N ATOM 894 CA PRO A 62 -6.836 -3.178 9.305 1.00 0.00 C ATOM 895 C PRO A 62 -6.195 -3.006 7.908 1.00 0.00 C ATOM 896 O PRO A 62 -6.917 -2.743 6.947 1.00 0.00 O ATOM 897 CB PRO A 62 -7.234 -1.812 9.826 1.00 0.00 C ATOM 898 CG PRO A 62 -7.420 -2.013 11.286 1.00 0.00 C ATOM 899 CD PRO A 62 -6.426 -3.063 11.703 1.00 0.00 C ATOM 0 HA PRO A 62 -7.616 -3.908 9.090 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.463 -1.069 9.622 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.150 -1.458 9.354 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.253 -1.083 11.830 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.438 -2.333 11.507 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.577 -2.620 12.224 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.876 -3.786 12.383 1.00 0.00 H new ATOM 907 N GLN A 63 -4.881 -3.137 7.797 1.00 0.00 N ATOM 908 CA GLN A 63 -4.132 -2.905 6.554 1.00 0.00 C ATOM 909 C GLN A 63 -4.794 -3.474 5.289 1.00 0.00 C ATOM 910 O GLN A 63 -4.541 -2.980 4.187 1.00 0.00 O ATOM 911 CB GLN A 63 -2.755 -3.503 6.689 1.00 0.00 C ATOM 912 CG GLN A 63 -1.802 -2.955 5.659 1.00 0.00 C ATOM 913 CD GLN A 63 -0.686 -3.890 5.363 1.00 0.00 C ATOM 914 OE1 GLN A 63 -1.030 -5.121 5.118 1.00 0.00 O flip ATOM 915 NE2 GLN A 63 0.465 -3.486 5.240 1.00 0.00 N flip ATOM 0 H GLN A 63 -4.287 -3.413 8.579 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.101 -1.823 6.423 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.367 -3.300 7.687 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.818 -4.586 6.586 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.348 -2.743 4.740 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.394 -2.008 6.013 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.688 -2.512 5.444 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.200 -4.124 4.934 1.00 0.00 H new ATOM 924 N LEU A 64 -5.623 -4.495 5.455 1.00 0.00 N ATOM 925 CA LEU A 64 -6.349 -5.123 4.361 1.00 0.00 C ATOM 926 C LEU A 64 -6.967 -4.104 3.411 1.00 0.00 C ATOM 927 O LEU A 64 -6.801 -4.202 2.197 1.00 0.00 O ATOM 928 CB LEU A 64 -7.451 -6.011 4.928 1.00 0.00 C ATOM 929 CG LEU A 64 -8.532 -6.380 3.925 1.00 0.00 C ATOM 930 CD1 LEU A 64 -8.040 -7.464 2.975 1.00 0.00 C ATOM 931 CD2 LEU A 64 -9.820 -6.799 4.621 1.00 0.00 C ATOM 0 H LEU A 64 -5.812 -4.915 6.365 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.631 -5.713 3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.002 -6.926 5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.914 -5.502 5.773 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.757 -5.491 3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.830 -7.712 2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.166 -7.103 2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.772 -8.353 3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.571 -7.056 3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.627 -7.665 5.253 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.186 -5.976 5.235 1.00 0.00 H new ATOM 943 N GLY A 65 -7.662 -3.130 3.980 1.00 0.00 N ATOM 944 CA GLY A 65 -8.382 -2.135 3.192 1.00 0.00 C ATOM 945 C GLY A 65 -7.531 -1.457 2.135 1.00 0.00 C ATOM 946 O GLY A 65 -8.024 -1.081 1.070 1.00 0.00 O ATOM 0 H GLY A 65 -7.744 -3.006 4.989 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.232 -2.615 2.707 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.784 -1.376 3.863 1.00 0.00 H new ATOM 950 N ARG A 66 -6.253 -1.311 2.430 1.00 0.00 N ATOM 951 CA ARG A 66 -5.316 -0.663 1.540 1.00 0.00 C ATOM 952 C ARG A 66 -5.014 -1.564 0.359 1.00 0.00 C ATOM 953 O ARG A 66 -4.873 -1.121 -0.782 1.00 0.00 O ATOM 954 CB ARG A 66 -4.048 -0.374 2.318 1.00 0.00 C ATOM 955 CG ARG A 66 -2.792 -0.863 1.626 1.00 0.00 C ATOM 956 CD ARG A 66 -1.724 -1.132 2.640 1.00 0.00 C ATOM 957 NE ARG A 66 -0.759 -0.029 2.700 1.00 0.00 N ATOM 958 CZ ARG A 66 0.341 -0.011 3.460 1.00 0.00 C ATOM 959 NH1 ARG A 66 0.663 -1.050 4.214 1.00 0.00 N1+ ATOM 960 NH2 ARG A 66 1.127 1.059 3.459 1.00 0.00 N ATOM 0 H ARG A 66 -5.836 -1.642 3.300 1.00 0.00 H new ATOM 0 HA ARG A 66 -5.739 0.266 1.158 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.968 0.701 2.482 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.118 -0.842 3.300 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.007 -1.771 1.062 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.447 -0.117 0.910 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.178 -1.275 3.621 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.206 -2.058 2.390 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.941 0.788 2.117 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.069 -1.879 4.221 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.505 -1.022 4.789 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.891 1.865 2.879 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.967 1.075 4.038 1.00 0.00 H new ATOM 974 N ILE A 67 -4.941 -2.837 0.675 1.00 0.00 N ATOM 975 CA ILE A 67 -4.464 -3.857 -0.220 1.00 0.00 C ATOM 976 C ILE A 67 -5.411 -4.093 -1.385 1.00 0.00 C ATOM 977 O ILE A 67 -4.980 -4.150 -2.538 1.00 0.00 O ATOM 978 CB ILE A 67 -4.296 -5.147 0.584 1.00 0.00 C ATOM 979 CG1 ILE A 67 -3.464 -4.846 1.839 1.00 0.00 C ATOM 980 CG2 ILE A 67 -3.675 -6.235 -0.271 1.00 0.00 C ATOM 981 CD1 ILE A 67 -3.239 -6.047 2.723 1.00 0.00 C ATOM 0 H ILE A 67 -5.220 -3.197 1.587 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.516 -3.532 -0.648 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.270 -5.520 0.899 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.497 -4.444 1.535 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.964 -4.069 2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.564 -7.144 0.320 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.318 -6.436 -1.128 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.696 -5.908 -0.621 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.644 -5.755 3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.200 -6.437 3.058 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.710 -6.818 2.162 1.00 0.00 H new ATOM 993 N LEU A 68 -6.694 -4.216 -1.072 1.00 0.00 N ATOM 994 CA LEU A 68 -7.710 -4.555 -2.068 1.00 0.00 C ATOM 995 C LEU A 68 -7.634 -3.675 -3.311 1.00 0.00 C ATOM 996 O LEU A 68 -7.449 -4.170 -4.423 1.00 0.00 O ATOM 997 CB LEU A 68 -9.127 -4.441 -1.493 1.00 0.00 C ATOM 998 CG LEU A 68 -9.540 -5.490 -0.468 1.00 0.00 C ATOM 999 CD1 LEU A 68 -8.715 -6.751 -0.621 1.00 0.00 C ATOM 1000 CD2 LEU A 68 -9.439 -4.929 0.941 1.00 0.00 C ATOM 0 H LEU A 68 -7.061 -4.085 -0.129 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.500 -5.587 -2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.229 -3.458 -1.033 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.834 -4.479 -2.322 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.582 -5.756 -0.649 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.029 -7.484 0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.860 -7.162 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.661 -6.516 -0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.738 -5.693 1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.411 -4.627 1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -10.096 -4.064 1.036 1.00 0.00 H new ATOM 1012 N LYS A 69 -7.781 -2.370 -3.121 1.00 0.00 N ATOM 1013 CA LYS A 69 -7.978 -1.467 -4.248 1.00 0.00 C ATOM 1014 C LYS A 69 -6.671 -1.086 -4.936 1.00 0.00 C ATOM 1015 O LYS A 69 -6.470 -1.405 -6.108 1.00 0.00 O ATOM 1016 CB LYS A 69 -8.698 -0.198 -3.780 1.00 0.00 C ATOM 1017 CG LYS A 69 -10.118 -0.437 -3.289 1.00 0.00 C ATOM 1018 CD LYS A 69 -11.044 -0.831 -4.430 1.00 0.00 C ATOM 1019 CE LYS A 69 -12.466 -1.063 -3.942 1.00 0.00 C ATOM 1020 NZ LYS A 69 -13.396 -1.374 -5.062 1.00 0.00 N1+ ATOM 0 H LYS A 69 -7.768 -1.917 -2.207 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.586 -2.001 -4.979 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.120 0.261 -2.978 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.724 0.517 -4.603 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.115 -1.223 -2.533 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.495 0.466 -2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -11.042 -0.048 -5.188 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.670 -1.737 -4.907 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.474 -1.884 -3.225 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.817 -0.176 -3.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.354 -1.525 -4.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.409 -0.580 -5.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.076 -2.235 -5.550 1.00 0.00 H new ATOM 1034 N TYR A 70 -5.775 -0.423 -4.217 1.00 0.00 N ATOM 1035 CA TYR A 70 -4.591 0.139 -4.860 1.00 0.00 C ATOM 1036 C TYR A 70 -3.276 -0.343 -4.260 1.00 0.00 C ATOM 1037 O TYR A 70 -2.223 -0.138 -4.861 1.00 0.00 O ATOM 1038 CB TYR A 70 -4.638 1.668 -4.829 1.00 0.00 C ATOM 1039 CG TYR A 70 -5.772 2.257 -5.636 1.00 0.00 C ATOM 1040 CD1 TYR A 70 -5.759 2.197 -7.021 1.00 0.00 C ATOM 1041 CD2 TYR A 70 -6.856 2.864 -5.014 1.00 0.00 C ATOM 1042 CE1 TYR A 70 -6.791 2.728 -7.768 1.00 0.00 C ATOM 1043 CE2 TYR A 70 -7.895 3.397 -5.755 1.00 0.00 C ATOM 1044 CZ TYR A 70 -7.856 3.326 -7.132 1.00 0.00 C ATOM 1045 OH TYR A 70 -8.887 3.854 -7.877 1.00 0.00 O ATOM 0 H TYR A 70 -5.840 -0.262 -3.212 1.00 0.00 H new ATOM 0 HA TYR A 70 -4.617 -0.220 -5.889 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -4.730 1.999 -3.795 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -3.693 2.060 -5.206 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.927 1.727 -7.524 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.888 2.920 -3.936 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.763 2.675 -8.846 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.732 3.866 -5.259 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.980 3.349 -8.712 1.00 0.00 H new ATOM 1055 N HIS A 71 -3.334 -0.968 -3.079 1.00 0.00 N ATOM 1056 CA HIS A 71 -2.119 -1.350 -2.344 1.00 0.00 C ATOM 1057 C HIS A 71 -1.389 -0.071 -1.915 1.00 0.00 C ATOM 1058 O HIS A 71 -0.160 -0.012 -1.866 1.00 0.00 O ATOM 1059 CB HIS A 71 -1.221 -2.239 -3.231 1.00 0.00 C ATOM 1060 CG HIS A 71 -0.198 -3.059 -2.500 1.00 0.00 C ATOM 1061 ND1 HIS A 71 -0.349 -4.408 -2.264 1.00 0.00 N ATOM 1062 CD2 HIS A 71 1.016 -2.730 -1.996 1.00 0.00 C ATOM 1063 CE1 HIS A 71 0.721 -4.871 -1.650 1.00 0.00 C ATOM 1064 NE2 HIS A 71 1.571 -3.875 -1.474 1.00 0.00 N ATOM 0 H HIS A 71 -4.205 -1.220 -2.611 1.00 0.00 H new ATOM 0 HA HIS A 71 -2.377 -1.928 -1.457 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.859 -2.912 -3.804 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.705 -1.602 -3.949 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.466 -1.748 -2.003 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.877 -5.894 -1.342 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.485 -3.944 -1.026 1.00 0.00 H new ATOM 1073 N VAL A 72 -2.179 0.941 -1.568 1.00 0.00 N ATOM 1074 CA VAL A 72 -1.686 2.302 -1.419 1.00 0.00 C ATOM 1075 C VAL A 72 -1.666 2.763 0.040 1.00 0.00 C ATOM 1076 O VAL A 72 -2.305 2.176 0.915 1.00 0.00 O ATOM 1077 CB VAL A 72 -2.560 3.284 -2.243 1.00 0.00 C ATOM 1078 CG1 VAL A 72 -3.984 3.325 -1.702 1.00 0.00 C ATOM 1079 CG2 VAL A 72 -1.957 4.683 -2.264 1.00 0.00 C ATOM 0 H VAL A 72 -3.177 0.839 -1.383 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.660 2.303 -1.788 1.00 0.00 H new ATOM 0 HB VAL A 72 -2.589 2.917 -3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.579 4.020 -2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.424 2.330 -1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.969 3.655 -0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.595 5.345 -2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.880 5.061 -1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.964 4.645 -2.713 1.00 0.00 H new ATOM 1089 N VAL A 73 -0.876 3.791 0.278 1.00 0.00 N ATOM 1090 CA VAL A 73 -0.888 4.546 1.506 1.00 0.00 C ATOM 1091 C VAL A 73 -0.809 6.032 1.172 1.00 0.00 C ATOM 1092 O VAL A 73 0.010 6.443 0.357 1.00 0.00 O ATOM 1093 CB VAL A 73 0.283 4.154 2.430 1.00 0.00 C ATOM 1094 CG1 VAL A 73 1.558 3.901 1.636 1.00 0.00 C ATOM 1095 CG2 VAL A 73 0.524 5.232 3.461 1.00 0.00 C ATOM 0 H VAL A 73 -0.191 4.130 -0.398 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.813 4.324 2.038 1.00 0.00 H new ATOM 0 HB VAL A 73 0.009 3.228 2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.363 3.627 2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.391 3.090 0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.834 4.805 1.093 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.353 4.940 4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.767 6.168 2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.374 5.366 4.064 1.00 0.00 H new ATOM 1105 N ALA A 74 -1.680 6.825 1.767 1.00 0.00 N ATOM 1106 CA ALA A 74 -1.662 8.262 1.550 1.00 0.00 C ATOM 1107 C ALA A 74 -0.450 8.883 2.201 1.00 0.00 C ATOM 1108 O ALA A 74 -0.073 8.516 3.314 1.00 0.00 O ATOM 1109 CB ALA A 74 -2.906 8.901 2.111 1.00 0.00 C ATOM 0 H ALA A 74 -2.408 6.501 2.403 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.622 8.435 0.475 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.872 9.977 1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.784 8.482 1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.963 8.707 3.182 1.00 0.00 H new ATOM 1115 N GLY A 75 0.154 9.815 1.503 1.00 0.00 N ATOM 1116 CA GLY A 75 1.298 10.508 2.055 1.00 0.00 C ATOM 1117 C GLY A 75 2.516 10.328 1.190 1.00 0.00 C ATOM 1118 O GLY A 75 3.286 9.388 1.390 1.00 0.00 O ATOM 0 H GLY A 75 -0.120 10.109 0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.071 11.570 2.151 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.503 10.134 3.058 1.00 0.00 H new ATOM 1122 N ALA A 76 2.668 11.223 0.217 1.00 0.00 N ATOM 1123 CA ALA A 76 3.685 11.108 -0.819 1.00 0.00 C ATOM 1124 C ALA A 76 5.080 10.994 -0.239 1.00 0.00 C ATOM 1125 O ALA A 76 5.717 11.994 0.097 1.00 0.00 O ATOM 1126 CB ALA A 76 3.611 12.302 -1.755 1.00 0.00 C ATOM 0 H ALA A 76 2.083 12.054 0.127 1.00 0.00 H new ATOM 0 HA ALA A 76 3.483 10.192 -1.374 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.375 12.207 -2.526 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.627 12.338 -2.222 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.778 13.219 -1.189 1.00 0.00 H new ATOM 1132 N TYR A 77 5.561 9.771 -0.160 1.00 0.00 N ATOM 1133 CA TYR A 77 6.889 9.527 0.359 1.00 0.00 C ATOM 1134 C TYR A 77 7.873 9.428 -0.771 1.00 0.00 C ATOM 1135 O TYR A 77 7.535 9.003 -1.860 1.00 0.00 O ATOM 1136 CB TYR A 77 7.018 8.247 1.215 1.00 0.00 C ATOM 1137 CG TYR A 77 6.637 6.909 0.573 1.00 0.00 C ATOM 1138 CD1 TYR A 77 7.206 6.478 -0.630 1.00 0.00 C ATOM 1139 CD2 TYR A 77 5.775 6.033 1.232 1.00 0.00 C ATOM 1140 CE1 TYR A 77 6.921 5.236 -1.156 1.00 0.00 C ATOM 1141 CE2 TYR A 77 5.476 4.789 0.700 1.00 0.00 C ATOM 1142 CZ TYR A 77 6.057 4.396 -0.491 1.00 0.00 C ATOM 1143 OH TYR A 77 5.774 3.160 -1.021 1.00 0.00 O ATOM 0 H TYR A 77 5.054 8.934 -0.447 1.00 0.00 H new ATOM 0 HA TYR A 77 7.099 10.375 1.011 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.052 8.173 1.551 1.00 0.00 H new ATOM 0 HB3 TYR A 77 6.402 8.377 2.105 1.00 0.00 H new ATOM 0 HD1 TYR A 77 7.883 7.133 -1.158 1.00 0.00 H new ATOM 0 HD2 TYR A 77 5.333 6.329 2.172 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.374 4.924 -2.086 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.792 4.129 1.214 1.00 0.00 H new ATOM 0 HH TYR A 77 5.677 2.508 -0.296 1.00 0.00 H new ATOM 1153 N LYS A 78 9.077 9.850 -0.525 1.00 0.00 N ATOM 1154 CA LYS A 78 10.173 9.464 -1.378 1.00 0.00 C ATOM 1155 C LYS A 78 11.070 8.531 -0.596 1.00 0.00 C ATOM 1156 O LYS A 78 11.084 8.616 0.626 1.00 0.00 O ATOM 1157 CB LYS A 78 10.927 10.665 -1.927 1.00 0.00 C ATOM 1158 CG LYS A 78 10.107 11.407 -2.964 1.00 0.00 C ATOM 1159 CD LYS A 78 9.353 12.548 -2.337 1.00 0.00 C ATOM 1160 CE LYS A 78 7.924 12.558 -2.821 1.00 0.00 C ATOM 1161 NZ LYS A 78 7.129 13.658 -2.217 1.00 0.00 N1+ ATOM 0 H LYS A 78 9.330 10.458 0.254 1.00 0.00 H new ATOM 0 HA LYS A 78 9.787 8.947 -2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.181 11.341 -1.111 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.866 10.335 -2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.762 11.786 -3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.406 10.720 -3.439 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.376 12.455 -1.251 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.836 13.493 -2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.912 12.658 -3.906 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.456 11.603 -2.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.491 14.059 -2.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.568 13.286 -1.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.770 14.400 -1.870 1.00 0.00 H new ATOM 1175 N ALA A 79 11.790 7.640 -1.268 1.00 0.00 N ATOM 1176 CA ALA A 79 12.515 6.560 -0.581 1.00 0.00 C ATOM 1177 C ALA A 79 13.372 7.085 0.567 1.00 0.00 C ATOM 1178 O ALA A 79 13.545 6.420 1.592 1.00 0.00 O ATOM 1179 CB ALA A 79 13.379 5.792 -1.567 1.00 0.00 C ATOM 0 H ALA A 79 11.892 7.638 -2.283 1.00 0.00 H new ATOM 0 HA ALA A 79 11.769 5.889 -0.155 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.909 4.996 -1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.748 5.358 -2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.101 6.470 -2.023 1.00 0.00 H new ATOM 1185 N THR A 80 13.843 8.306 0.410 1.00 0.00 N ATOM 1186 CA THR A 80 14.753 8.906 1.367 1.00 0.00 C ATOM 1187 C THR A 80 14.008 9.337 2.630 1.00 0.00 C ATOM 1188 O THR A 80 14.591 9.402 3.708 1.00 0.00 O ATOM 1189 CB THR A 80 15.508 10.110 0.757 1.00 0.00 C ATOM 1190 OG1 THR A 80 16.487 10.599 1.683 1.00 0.00 O ATOM 1191 CG2 THR A 80 14.554 11.236 0.377 1.00 0.00 C ATOM 0 H THR A 80 13.608 8.908 -0.379 1.00 0.00 H new ATOM 0 HA THR A 80 15.488 8.147 1.634 1.00 0.00 H new ATOM 0 HB THR A 80 16.003 9.764 -0.151 1.00 0.00 H new ATOM 0 HG1 THR A 80 16.961 11.360 1.287 1.00 0.00 H new ATOM 0 HG21 THR A 80 15.120 12.065 -0.048 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.836 10.872 -0.358 1.00 0.00 H new ATOM 0 HG23 THR A 80 14.022 11.578 1.265 1.00 0.00 H new ATOM 1199 N ASP A 81 12.710 9.594 2.490 1.00 0.00 N ATOM 1200 CA ASP A 81 11.880 10.009 3.617 1.00 0.00 C ATOM 1201 C ASP A 81 11.642 8.821 4.532 1.00 0.00 C ATOM 1202 O ASP A 81 11.869 8.876 5.740 1.00 0.00 O ATOM 1203 CB ASP A 81 10.537 10.548 3.107 1.00 0.00 C ATOM 1204 CG ASP A 81 9.694 11.162 4.207 1.00 0.00 C ATOM 1205 OD1 ASP A 81 10.023 12.278 4.659 1.00 0.00 O ATOM 1206 OD2 ASP A 81 8.690 10.547 4.608 1.00 0.00 O1- ATOM 0 H ASP A 81 12.209 9.522 1.604 1.00 0.00 H new ATOM 0 HA ASP A 81 12.391 10.797 4.170 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.720 11.296 2.336 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.980 9.737 2.638 1.00 0.00 H new ATOM 1211 N LEU A 82 11.192 7.747 3.917 1.00 0.00 N ATOM 1212 CA LEU A 82 10.905 6.498 4.602 1.00 0.00 C ATOM 1213 C LEU A 82 12.112 5.943 5.340 1.00 0.00 C ATOM 1214 O LEU A 82 12.022 5.606 6.516 1.00 0.00 O ATOM 1215 CB LEU A 82 10.405 5.493 3.572 1.00 0.00 C ATOM 1216 CG LEU A 82 9.099 5.894 2.887 1.00 0.00 C ATOM 1217 CD1 LEU A 82 8.376 6.976 3.682 1.00 0.00 C ATOM 1218 CD2 LEU A 82 9.410 6.309 1.467 1.00 0.00 C ATOM 0 H LEU A 82 11.012 7.714 2.914 1.00 0.00 H new ATOM 0 HA LEU A 82 10.145 6.687 5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.174 5.356 2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.265 4.529 4.060 1.00 0.00 H new ATOM 0 HG LEU A 82 8.412 5.048 2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.450 7.244 3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.147 6.602 4.680 1.00 0.00 H new ATOM 0 HD13 LEU A 82 9.014 7.856 3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.488 6.599 0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 82 10.099 7.154 1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.867 5.474 0.936 1.00 0.00 H new ATOM 1230 N LYS A 83 13.235 5.842 4.652 1.00 0.00 N ATOM 1231 CA LYS A 83 14.447 5.302 5.255 1.00 0.00 C ATOM 1232 C LYS A 83 14.980 6.222 6.348 1.00 0.00 C ATOM 1233 O LYS A 83 15.556 5.760 7.335 1.00 0.00 O ATOM 1234 CB LYS A 83 15.502 5.083 4.184 1.00 0.00 C ATOM 1235 CG LYS A 83 16.740 4.368 4.687 1.00 0.00 C ATOM 1236 CD LYS A 83 17.553 3.786 3.540 1.00 0.00 C ATOM 1237 CE LYS A 83 18.078 4.867 2.612 1.00 0.00 C ATOM 1238 NZ LYS A 83 19.071 5.740 3.285 1.00 0.00 N1+ ATOM 0 H LYS A 83 13.336 6.125 3.677 1.00 0.00 H new ATOM 0 HA LYS A 83 14.202 4.346 5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 83 15.066 4.506 3.369 1.00 0.00 H new ATOM 0 HB3 LYS A 83 15.793 6.048 3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 83 17.357 5.064 5.256 1.00 0.00 H new ATOM 0 HG3 LYS A 83 16.448 3.570 5.369 1.00 0.00 H new ATOM 0 HD2 LYS A 83 18.390 3.215 3.942 1.00 0.00 H new ATOM 0 HD3 LYS A 83 16.935 3.090 2.973 1.00 0.00 H new ATOM 0 HE2 LYS A 83 18.535 4.404 1.738 1.00 0.00 H new ATOM 0 HE3 LYS A 83 17.246 5.473 2.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 19.516 6.365 2.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 18.594 6.316 4.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 19.800 5.152 3.737 1.00 0.00 H new ATOM 1252 N ARG A 84 14.786 7.521 6.160 1.00 0.00 N ATOM 1253 CA ARG A 84 15.120 8.511 7.169 1.00 0.00 C ATOM 1254 C ARG A 84 14.430 8.181 8.477 1.00 0.00 C ATOM 1255 O ARG A 84 15.002 8.319 9.556 1.00 0.00 O ATOM 1256 CB ARG A 84 14.672 9.874 6.696 1.00 0.00 C ATOM 1257 CG ARG A 84 15.763 10.915 6.765 1.00 0.00 C ATOM 1258 CD ARG A 84 15.683 11.860 5.589 1.00 0.00 C ATOM 1259 NE ARG A 84 16.711 12.896 5.643 1.00 0.00 N ATOM 1260 CZ ARG A 84 17.354 13.360 4.575 1.00 0.00 C ATOM 1261 NH1 ARG A 84 17.113 12.848 3.375 1.00 0.00 N1+ ATOM 1262 NH2 ARG A 84 18.248 14.329 4.706 1.00 0.00 N ATOM 0 H ARG A 84 14.393 7.915 5.305 1.00 0.00 H new ATOM 0 HA ARG A 84 16.198 8.508 7.328 1.00 0.00 H new ATOM 0 HB2 ARG A 84 14.317 9.796 5.668 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.827 10.202 7.301 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.676 11.477 7.695 1.00 0.00 H new ATOM 0 HG3 ARG A 84 16.737 10.426 6.778 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.788 11.295 4.663 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.699 12.328 5.567 1.00 0.00 H new ATOM 0 HE ARG A 84 16.950 13.287 6.554 1.00 0.00 H new ATOM 0 HH11 ARG A 84 16.432 12.096 3.269 1.00 0.00 H new ATOM 0 HH12 ARG A 84 17.608 13.207 2.559 1.00 0.00 H new ATOM 0 HH21 ARG A 84 18.444 14.721 5.627 1.00 0.00 H new ATOM 0 HH22 ARG A 84 18.740 14.683 3.886 1.00 0.00 H new ATOM 1276 N MET A 85 13.185 7.761 8.359 1.00 0.00 N ATOM 1277 CA MET A 85 12.408 7.323 9.510 1.00 0.00 C ATOM 1278 C MET A 85 12.801 5.910 9.919 1.00 0.00 C ATOM 1279 O MET A 85 12.940 5.603 11.105 1.00 0.00 O ATOM 1280 CB MET A 85 10.913 7.348 9.198 1.00 0.00 C ATOM 1281 CG MET A 85 10.388 8.710 8.807 1.00 0.00 C ATOM 1282 SD MET A 85 8.643 8.667 8.357 1.00 0.00 S ATOM 1283 CE MET A 85 8.418 10.335 7.750 1.00 0.00 C ATOM 0 H MET A 85 12.684 7.713 7.472 1.00 0.00 H new ATOM 0 HA MET A 85 12.619 8.011 10.328 1.00 0.00 H new ATOM 0 HB2 MET A 85 10.710 6.646 8.389 1.00 0.00 H new ATOM 0 HB3 MET A 85 10.364 6.996 10.071 1.00 0.00 H new ATOM 0 HG2 MET A 85 10.530 9.403 9.636 1.00 0.00 H new ATOM 0 HG3 MET A 85 10.968 9.093 7.968 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.492 10.392 7.178 1.00 0.00 H new ATOM 0 HE2 MET A 85 8.367 11.025 8.592 1.00 0.00 H new ATOM 0 HE3 MET A 85 9.258 10.606 7.110 1.00 0.00 H new ATOM 1293 N GLY A 86 12.988 5.055 8.921 1.00 0.00 N ATOM 1294 CA GLY A 86 13.270 3.658 9.176 1.00 0.00 C ATOM 1295 C GLY A 86 12.003 2.837 9.286 1.00 0.00 C ATOM 1296 O GLY A 86 12.033 1.679 9.699 1.00 0.00 O ATOM 0 H GLY A 86 12.949 5.308 7.934 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.891 3.261 8.373 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.843 3.566 10.098 1.00 0.00 H new ATOM 1300 N ILE A 87 10.887 3.448 8.922 1.00 0.00 N ATOM 1301 CA ILE A 87 9.586 2.831 9.017 1.00 0.00 C ATOM 1302 C ILE A 87 8.595 3.618 8.165 1.00 0.00 C ATOM 1303 O ILE A 87 8.818 4.790 7.851 1.00 0.00 O ATOM 1304 CB ILE A 87 9.117 2.765 10.487 1.00 0.00 C ATOM 1305 CG1 ILE A 87 8.246 1.532 10.735 1.00 0.00 C ATOM 1306 CG2 ILE A 87 8.343 4.017 10.829 1.00 0.00 C ATOM 1307 CD1 ILE A 87 8.155 1.134 12.190 1.00 0.00 C ATOM 0 H ILE A 87 10.865 4.397 8.549 1.00 0.00 H new ATOM 0 HA ILE A 87 9.645 1.808 8.645 1.00 0.00 H new ATOM 0 HB ILE A 87 9.998 2.691 11.125 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.242 1.726 10.357 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.646 0.695 10.163 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.013 3.969 11.867 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.983 4.889 10.692 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.474 4.098 10.175 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.521 0.253 12.287 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.152 0.908 12.568 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.726 1.954 12.765 1.00 0.00 H new ATOM 1319 N VAL A 88 7.529 2.957 7.782 1.00 0.00 N ATOM 1320 CA VAL A 88 6.471 3.555 6.990 1.00 0.00 C ATOM 1321 C VAL A 88 5.122 3.237 7.611 1.00 0.00 C ATOM 1322 O VAL A 88 4.921 2.140 8.113 1.00 0.00 O ATOM 1323 CB VAL A 88 6.516 3.011 5.553 1.00 0.00 C ATOM 1324 CG1 VAL A 88 7.727 3.555 4.836 1.00 0.00 C ATOM 1325 CG2 VAL A 88 6.557 1.494 5.568 1.00 0.00 C ATOM 0 H VAL A 88 7.366 1.977 8.012 1.00 0.00 H new ATOM 0 HA VAL A 88 6.615 4.635 6.968 1.00 0.00 H new ATOM 0 HB VAL A 88 5.617 3.331 5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.753 3.165 3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.674 4.643 4.807 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.630 3.250 5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.589 1.121 4.544 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.445 1.159 6.104 1.00 0.00 H new ATOM 0 HG23 VAL A 88 5.667 1.111 6.067 1.00 0.00 H new ATOM 1335 N THR A 89 4.203 4.178 7.595 1.00 0.00 N ATOM 1336 CA THR A 89 2.904 3.940 8.193 1.00 0.00 C ATOM 1337 C THR A 89 1.822 3.810 7.128 1.00 0.00 C ATOM 1338 O THR A 89 1.758 4.597 6.188 1.00 0.00 O ATOM 1339 CB THR A 89 2.520 5.049 9.185 1.00 0.00 C ATOM 1340 OG1 THR A 89 3.660 5.417 9.975 1.00 0.00 O ATOM 1341 CG2 THR A 89 1.407 4.563 10.102 1.00 0.00 C ATOM 0 H THR A 89 4.326 5.102 7.182 1.00 0.00 H new ATOM 0 HA THR A 89 2.979 3.000 8.740 1.00 0.00 H new ATOM 0 HB THR A 89 2.174 5.917 8.624 1.00 0.00 H new ATOM 0 HG1 THR A 89 3.408 6.125 10.603 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.141 5.355 10.802 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.534 4.297 9.506 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.748 3.688 10.656 1.00 0.00 H new ATOM 1349 N SER A 90 0.994 2.787 7.285 1.00 0.00 N ATOM 1350 CA SER A 90 -0.121 2.528 6.393 1.00 0.00 C ATOM 1351 C SER A 90 -1.167 3.632 6.495 1.00 0.00 C ATOM 1352 O SER A 90 -1.147 4.423 7.437 1.00 0.00 O ATOM 1353 CB SER A 90 -0.751 1.170 6.745 1.00 0.00 C ATOM 1354 OG SER A 90 -1.969 0.954 6.053 1.00 0.00 O ATOM 0 H SER A 90 1.080 2.109 8.042 1.00 0.00 H new ATOM 0 HA SER A 90 0.248 2.506 5.368 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.050 0.371 6.503 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.931 1.121 7.819 1.00 0.00 H new ATOM 0 HG SER A 90 -2.254 0.025 6.176 1.00 0.00 H new ATOM 1360 N LEU A 91 -2.072 3.680 5.524 1.00 0.00 N ATOM 1361 CA LEU A 91 -3.199 4.586 5.577 1.00 0.00 C ATOM 1362 C LEU A 91 -3.998 4.340 6.848 1.00 0.00 C ATOM 1363 O LEU A 91 -4.547 5.262 7.453 1.00 0.00 O ATOM 1364 CB LEU A 91 -4.095 4.364 4.361 1.00 0.00 C ATOM 1365 CG LEU A 91 -4.896 5.578 3.929 1.00 0.00 C ATOM 1366 CD1 LEU A 91 -4.145 6.840 4.250 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -5.170 5.513 2.450 1.00 0.00 C ATOM 0 H LEU A 91 -2.041 3.096 4.688 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.832 5.613 5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.475 4.039 3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.786 3.550 4.580 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.842 5.582 4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.732 7.703 3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.968 6.895 5.324 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.190 6.839 3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.745 6.388 2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.226 5.494 1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.737 4.610 2.224 1.00 0.00 H new ATOM 1379 N GLU A 92 -4.024 3.078 7.253 1.00 0.00 N ATOM 1380 CA GLU A 92 -4.783 2.668 8.429 1.00 0.00 C ATOM 1381 C GLU A 92 -4.004 3.009 9.687 1.00 0.00 C ATOM 1382 O GLU A 92 -4.578 3.252 10.749 1.00 0.00 O ATOM 1383 CB GLU A 92 -5.081 1.168 8.378 1.00 0.00 C ATOM 1384 CG GLU A 92 -3.845 0.286 8.473 1.00 0.00 C ATOM 1385 CD GLU A 92 -3.720 -0.416 9.809 1.00 0.00 C ATOM 1386 OE1 GLU A 92 -3.661 0.271 10.843 1.00 0.00 O ATOM 1387 OE2 GLU A 92 -3.652 -1.655 9.822 1.00 0.00 O1- ATOM 0 H GLU A 92 -3.528 2.319 6.785 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.732 3.205 8.442 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.758 0.915 9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -5.604 0.944 7.448 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.876 -0.460 7.679 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.957 0.895 8.304 1.00 0.00 H new ATOM 1394 N GLY A 93 -2.692 3.046 9.537 1.00 0.00 N ATOM 1395 CA GLY A 93 -1.823 3.332 10.660 1.00 0.00 C ATOM 1396 C GLY A 93 -0.832 2.219 10.972 1.00 0.00 C ATOM 1397 O GLY A 93 -0.082 2.317 11.942 1.00 0.00 O ATOM 0 H GLY A 93 -2.209 2.882 8.654 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.271 4.250 10.456 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.435 3.518 11.542 1.00 0.00 H new ATOM 1401 N SER A 94 -0.816 1.161 10.169 1.00 0.00 N ATOM 1402 CA SER A 94 0.125 0.080 10.387 1.00 0.00 C ATOM 1403 C SER A 94 1.519 0.438 9.877 1.00 0.00 C ATOM 1404 O SER A 94 1.706 0.710 8.694 1.00 0.00 O ATOM 1405 CB SER A 94 -0.381 -1.193 9.711 1.00 0.00 C ATOM 1406 OG SER A 94 -1.192 -1.953 10.593 1.00 0.00 O ATOM 0 H SER A 94 -1.438 1.033 9.371 1.00 0.00 H new ATOM 0 HA SER A 94 0.203 -0.090 11.461 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.953 -0.933 8.820 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.466 -1.795 9.382 1.00 0.00 H new ATOM 0 HG SER A 94 -2.040 -2.170 10.152 1.00 0.00 H new ATOM 1412 N THR A 95 2.489 0.426 10.777 1.00 0.00 N ATOM 1413 CA THR A 95 3.872 0.717 10.431 1.00 0.00 C ATOM 1414 C THR A 95 4.628 -0.510 9.915 1.00 0.00 C ATOM 1415 O THR A 95 4.448 -1.630 10.399 1.00 0.00 O ATOM 1416 CB THR A 95 4.618 1.307 11.639 1.00 0.00 C ATOM 1417 OG1 THR A 95 3.907 1.007 12.848 1.00 0.00 O ATOM 1418 CG2 THR A 95 4.779 2.809 11.488 1.00 0.00 C ATOM 0 H THR A 95 2.342 0.215 11.764 1.00 0.00 H new ATOM 0 HA THR A 95 3.838 1.446 9.621 1.00 0.00 H new ATOM 0 HB THR A 95 5.610 0.858 11.687 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.389 1.384 13.613 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.309 3.207 12.353 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.347 3.025 10.583 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.796 3.275 11.419 1.00 0.00 H new ATOM 1426 N ILE A 96 5.473 -0.266 8.920 1.00 0.00 N ATOM 1427 CA ILE A 96 6.329 -1.280 8.318 1.00 0.00 C ATOM 1428 C ILE A 96 7.773 -0.772 8.331 1.00 0.00 C ATOM 1429 O ILE A 96 8.034 0.338 7.883 1.00 0.00 O ATOM 1430 CB ILE A 96 5.890 -1.615 6.862 1.00 0.00 C ATOM 1431 CG1 ILE A 96 4.714 -2.601 6.836 1.00 0.00 C ATOM 1432 CG2 ILE A 96 7.050 -2.160 6.049 1.00 0.00 C ATOM 1433 CD1 ILE A 96 3.368 -1.972 7.131 1.00 0.00 C ATOM 0 H ILE A 96 5.584 0.658 8.502 1.00 0.00 H new ATOM 0 HA ILE A 96 6.245 -2.199 8.898 1.00 0.00 H new ATOM 0 HB ILE A 96 5.558 -0.681 6.408 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.674 -3.075 5.855 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.901 -3.391 7.564 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.712 -2.384 5.037 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.847 -1.417 6.009 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.426 -3.070 6.516 1.00 0.00 H new ATOM 0 HD11 ILE A 96 2.593 -2.737 7.093 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.386 -1.523 8.124 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.155 -1.202 6.389 1.00 0.00 H new ATOM 1445 N PRO A 97 8.730 -1.545 8.863 1.00 0.00 N ATOM 1446 CA PRO A 97 10.104 -1.072 9.033 1.00 0.00 C ATOM 1447 C PRO A 97 10.870 -0.964 7.725 1.00 0.00 C ATOM 1448 O PRO A 97 10.906 -1.894 6.914 1.00 0.00 O ATOM 1449 CB PRO A 97 10.760 -2.118 9.939 1.00 0.00 C ATOM 1450 CG PRO A 97 9.674 -3.068 10.336 1.00 0.00 C ATOM 1451 CD PRO A 97 8.569 -2.925 9.329 1.00 0.00 C ATOM 0 HA PRO A 97 10.111 -0.064 9.448 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.561 -2.640 9.415 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.206 -1.649 10.816 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.047 -4.092 10.355 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.312 -2.841 11.339 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.670 -3.641 8.514 1.00 0.00 H new ATOM 0 HD3 PRO A 97 7.589 -3.089 9.778 1.00 0.00 H new ATOM 1459 N ILE A 98 11.479 0.190 7.546 1.00 0.00 N ATOM 1460 CA ILE A 98 12.294 0.475 6.392 1.00 0.00 C ATOM 1461 C ILE A 98 13.770 0.296 6.700 1.00 0.00 C ATOM 1462 O ILE A 98 14.243 0.625 7.788 1.00 0.00 O ATOM 1463 CB ILE A 98 12.047 1.911 5.911 1.00 0.00 C ATOM 1464 CG1 ILE A 98 10.602 2.060 5.468 1.00 0.00 C ATOM 1465 CG2 ILE A 98 12.992 2.275 4.785 1.00 0.00 C ATOM 1466 CD1 ILE A 98 10.247 1.199 4.280 1.00 0.00 C ATOM 0 H ILE A 98 11.419 0.963 8.208 1.00 0.00 H new ATOM 0 HA ILE A 98 12.015 -0.229 5.608 1.00 0.00 H new ATOM 0 HB ILE A 98 12.238 2.595 6.738 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.946 1.805 6.301 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.412 3.104 5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.796 3.298 4.462 1.00 0.00 H new ATOM 0 HG22 ILE A 98 14.022 2.195 5.134 1.00 0.00 H new ATOM 0 HG23 ILE A 98 12.839 1.594 3.947 1.00 0.00 H new ATOM 0 HD11 ILE A 98 9.201 1.355 4.017 1.00 0.00 H new ATOM 0 HD12 ILE A 98 10.878 1.469 3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.406 0.150 4.530 1.00 0.00 H new ATOM 1478 N HIS A 99 14.481 -0.237 5.728 1.00 0.00 N ATOM 1479 CA HIS A 99 15.924 -0.419 5.813 1.00 0.00 C ATOM 1480 C HIS A 99 16.546 0.038 4.506 1.00 0.00 C ATOM 1481 O HIS A 99 15.831 0.484 3.609 1.00 0.00 O ATOM 1482 CB HIS A 99 16.291 -1.879 6.089 1.00 0.00 C ATOM 1483 CG HIS A 99 15.556 -2.483 7.245 1.00 0.00 C ATOM 1484 ND1 HIS A 99 14.568 -3.432 7.095 1.00 0.00 N ATOM 1485 CD2 HIS A 99 15.664 -2.263 8.575 1.00 0.00 C ATOM 1486 CE1 HIS A 99 14.098 -3.767 8.281 1.00 0.00 C ATOM 1487 NE2 HIS A 99 14.746 -3.072 9.197 1.00 0.00 N ATOM 0 H HIS A 99 14.076 -0.560 4.849 1.00 0.00 H new ATOM 0 HA HIS A 99 16.307 0.174 6.643 1.00 0.00 H new ATOM 0 HB2 HIS A 99 16.089 -2.469 5.195 1.00 0.00 H new ATOM 0 HB3 HIS A 99 17.362 -1.944 6.279 1.00 0.00 H new ATOM 0 HD2 HIS A 99 16.346 -1.578 9.058 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.316 -4.487 8.470 1.00 0.00 H new ATOM 0 HE2 HIS A 99 14.590 -3.127 10.203 1.00 0.00 H new ATOM 1496 N GLY A 100 17.861 -0.029 4.402 1.00 0.00 N ATOM 1497 CA GLY A 100 18.498 0.307 3.144 1.00 0.00 C ATOM 1498 C GLY A 100 19.999 0.451 3.245 1.00 0.00 C ATOM 1499 O GLY A 100 20.500 1.403 3.846 1.00 0.00 O ATOM 0 H GLY A 100 18.494 -0.306 5.153 1.00 0.00 H new ATOM 0 HA2 GLY A 100 18.264 -0.465 2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 100 18.076 1.240 2.771 1.00 0.00 H new ATOM 1503 N ASP A 101 20.719 -0.491 2.650 1.00 0.00 N ATOM 1504 CA ASP A 101 22.173 -0.413 2.588 1.00 0.00 C ATOM 1505 C ASP A 101 22.569 0.407 1.375 1.00 0.00 C ATOM 1506 O ASP A 101 23.390 1.322 1.460 1.00 0.00 O ATOM 1507 CB ASP A 101 22.798 -1.806 2.492 1.00 0.00 C ATOM 1508 CG ASP A 101 24.313 -1.769 2.573 1.00 0.00 C ATOM 1509 OD1 ASP A 101 24.852 -1.848 3.698 1.00 0.00 O ATOM 1510 OD2 ASP A 101 24.974 -1.674 1.514 1.00 0.00 O1- ATOM 0 H ASP A 101 20.321 -1.317 2.204 1.00 0.00 H new ATOM 0 HA ASP A 101 22.538 0.058 3.501 1.00 0.00 H new ATOM 0 HB2 ASP A 101 22.409 -2.431 3.296 1.00 0.00 H new ATOM 0 HB3 ASP A 101 22.499 -2.271 1.553 1.00 0.00 H new ATOM 1515 N ASN A 102 21.961 0.070 0.250 1.00 0.00 N ATOM 1516 CA ASN A 102 22.157 0.805 -0.987 1.00 0.00 C ATOM 1517 C ASN A 102 20.801 1.199 -1.588 1.00 0.00 C ATOM 1518 O ASN A 102 20.563 2.386 -1.823 1.00 0.00 O ATOM 1519 CB ASN A 102 23.012 0.000 -1.977 1.00 0.00 C ATOM 1520 CG ASN A 102 23.211 0.714 -3.301 1.00 0.00 C ATOM 1521 OD1 ASN A 102 24.144 1.504 -3.457 1.00 0.00 O ATOM 1522 ND2 ASN A 102 22.355 0.431 -4.271 1.00 0.00 N ATOM 0 H ASN A 102 21.319 -0.719 0.169 1.00 0.00 H new ATOM 0 HA ASN A 102 22.704 1.722 -0.768 1.00 0.00 H new ATOM 0 HB2 ASN A 102 23.985 -0.202 -1.529 1.00 0.00 H new ATOM 0 HB3 ASN A 102 22.538 -0.965 -2.158 1.00 0.00 H new ATOM 0 HD21 ASN A 102 22.456 0.872 -5.185 1.00 0.00 H new ATOM 0 HD22 ASN A 102 21.595 -0.228 -4.104 1.00 0.00 H new ATOM 1529 N PRO A 103 19.877 0.235 -1.842 1.00 0.00 N ATOM 1530 CA PRO A 103 18.511 0.552 -2.240 1.00 0.00 C ATOM 1531 C PRO A 103 17.607 0.676 -1.020 1.00 0.00 C ATOM 1532 O PRO A 103 18.036 0.413 0.104 1.00 0.00 O ATOM 1533 CB PRO A 103 18.134 -0.672 -3.060 1.00 0.00 C ATOM 1534 CG PRO A 103 18.748 -1.787 -2.305 1.00 0.00 C ATOM 1535 CD PRO A 103 20.057 -1.241 -1.784 1.00 0.00 C ATOM 0 HA PRO A 103 18.415 1.496 -2.776 1.00 0.00 H new ATOM 0 HB2 PRO A 103 17.053 -0.786 -3.139 1.00 0.00 H new ATOM 0 HB3 PRO A 103 18.523 -0.611 -4.076 1.00 0.00 H new ATOM 0 HG2 PRO A 103 18.104 -2.111 -1.488 1.00 0.00 H new ATOM 0 HG3 PRO A 103 18.910 -2.654 -2.946 1.00 0.00 H new ATOM 0 HD2 PRO A 103 20.255 -1.580 -0.767 1.00 0.00 H new ATOM 0 HD3 PRO A 103 20.898 -1.565 -2.397 1.00 0.00 H new ATOM 1543 N LEU A 104 16.371 1.086 -1.230 1.00 0.00 N ATOM 1544 CA LEU A 104 15.403 1.100 -0.150 1.00 0.00 C ATOM 1545 C LEU A 104 14.959 -0.326 0.146 1.00 0.00 C ATOM 1546 O LEU A 104 14.998 -1.197 -0.727 1.00 0.00 O ATOM 1547 CB LEU A 104 14.199 1.976 -0.510 1.00 0.00 C ATOM 1548 CG LEU A 104 13.172 2.208 0.605 1.00 0.00 C ATOM 1549 CD1 LEU A 104 13.649 3.274 1.573 1.00 0.00 C ATOM 1550 CD2 LEU A 104 11.822 2.583 0.019 1.00 0.00 C ATOM 0 H LEU A 104 16.016 1.411 -2.129 1.00 0.00 H new ATOM 0 HA LEU A 104 15.868 1.524 0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 104 14.569 2.946 -0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 104 13.687 1.522 -1.358 1.00 0.00 H new ATOM 0 HG LEU A 104 13.061 1.276 1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 104 12.901 3.418 2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 104 14.590 2.960 2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 104 13.799 4.211 1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 104 11.107 2.743 0.826 1.00 0.00 H new ATOM 0 HD22 LEU A 104 11.921 3.498 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.468 1.777 -0.624 1.00 0.00 H new ATOM 1562 N GLU A 105 14.533 -0.551 1.369 1.00 0.00 N ATOM 1563 CA GLU A 105 14.189 -1.882 1.834 1.00 0.00 C ATOM 1564 C GLU A 105 12.933 -1.818 2.670 1.00 0.00 C ATOM 1565 O GLU A 105 12.882 -1.136 3.692 1.00 0.00 O ATOM 1566 CB GLU A 105 15.335 -2.466 2.648 1.00 0.00 C ATOM 1567 CG GLU A 105 16.590 -2.674 1.832 1.00 0.00 C ATOM 1568 CD GLU A 105 16.746 -4.111 1.378 1.00 0.00 C ATOM 1569 OE1 GLU A 105 15.798 -4.668 0.791 1.00 0.00 O ATOM 1570 OE2 GLU A 105 17.814 -4.705 1.646 1.00 0.00 O1- ATOM 0 H GLU A 105 14.414 0.180 2.070 1.00 0.00 H new ATOM 0 HA GLU A 105 14.012 -2.527 0.974 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.557 -1.801 3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 105 15.022 -3.419 3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 105 16.567 -2.020 0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.458 -2.386 2.424 1.00 0.00 H new ATOM 1577 N VAL A 106 11.921 -2.514 2.218 1.00 0.00 N ATOM 1578 CA VAL A 106 10.613 -2.433 2.826 1.00 0.00 C ATOM 1579 C VAL A 106 10.161 -3.801 3.363 1.00 0.00 C ATOM 1580 O VAL A 106 9.814 -4.697 2.594 1.00 0.00 O ATOM 1581 CB VAL A 106 9.626 -1.821 1.796 1.00 0.00 C ATOM 1582 CG1 VAL A 106 10.035 -2.192 0.377 1.00 0.00 C ATOM 1583 CG2 VAL A 106 8.175 -2.206 2.061 1.00 0.00 C ATOM 0 H VAL A 106 11.977 -3.150 1.423 1.00 0.00 H new ATOM 0 HA VAL A 106 10.642 -1.779 3.698 1.00 0.00 H new ATOM 0 HB VAL A 106 9.684 -0.739 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 106 9.331 -1.754 -0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 106 11.036 -1.811 0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 106 10.031 -3.277 0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 106 7.534 -1.748 1.308 1.00 0.00 H new ATOM 0 HG22 VAL A 106 8.072 -3.290 2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.880 -1.856 3.050 1.00 0.00 H new ATOM 1593 N LYS A 107 10.201 -3.929 4.705 1.00 0.00 N ATOM 1594 CA LYS A 107 9.899 -5.166 5.461 1.00 0.00 C ATOM 1595 C LYS A 107 10.641 -6.408 4.941 1.00 0.00 C ATOM 1596 O LYS A 107 11.659 -6.803 5.507 1.00 0.00 O ATOM 1597 CB LYS A 107 8.378 -5.425 5.617 1.00 0.00 C ATOM 1598 CG LYS A 107 7.585 -5.602 4.331 1.00 0.00 C ATOM 1599 CD LYS A 107 6.092 -5.528 4.577 1.00 0.00 C ATOM 1600 CE LYS A 107 5.315 -5.799 3.302 1.00 0.00 C ATOM 1601 NZ LYS A 107 5.516 -7.191 2.813 1.00 0.00 N1+ ATOM 0 H LYS A 107 10.452 -3.150 5.314 1.00 0.00 H new ATOM 0 HA LYS A 107 10.292 -4.980 6.460 1.00 0.00 H new ATOM 0 HB2 LYS A 107 8.245 -6.319 6.226 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.945 -4.593 6.173 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.874 -4.832 3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 107 7.832 -6.563 3.881 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.809 -6.253 5.340 1.00 0.00 H new ATOM 0 HD3 LYS A 107 5.832 -4.542 4.963 1.00 0.00 H new ATOM 0 HE2 LYS A 107 4.254 -5.627 3.480 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.627 -5.095 2.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 4.800 -7.412 2.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.465 -7.279 2.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.423 -7.855 3.608 1.00 0.00 H new ATOM 1615 N ASN A 108 10.164 -6.997 3.861 1.00 0.00 N ATOM 1616 CA ASN A 108 10.692 -8.261 3.371 1.00 0.00 C ATOM 1617 C ASN A 108 11.106 -8.104 1.922 1.00 0.00 C ATOM 1618 O ASN A 108 11.583 -9.043 1.283 1.00 0.00 O ATOM 1619 CB ASN A 108 9.637 -9.373 3.499 1.00 0.00 C ATOM 1620 CG ASN A 108 8.406 -9.130 2.635 1.00 0.00 C ATOM 1621 OD1 ASN A 108 8.045 -7.987 2.349 1.00 0.00 O ATOM 1622 ND2 ASN A 108 7.743 -10.202 2.225 1.00 0.00 N ATOM 0 H ASN A 108 9.403 -6.617 3.299 1.00 0.00 H new ATOM 0 HA ASN A 108 11.559 -8.540 3.970 1.00 0.00 H new ATOM 0 HB2 ASN A 108 10.087 -10.326 3.221 1.00 0.00 H new ATOM 0 HB3 ASN A 108 9.331 -9.457 4.542 1.00 0.00 H new ATOM 0 HD21 ASN A 108 6.905 -10.096 1.654 1.00 0.00 H new ATOM 0 HD22 ASN A 108 8.071 -11.133 2.481 1.00 0.00 H new ATOM 1629 N ALA A 109 10.936 -6.897 1.423 1.00 0.00 N ATOM 1630 CA ALA A 109 11.142 -6.609 0.026 1.00 0.00 C ATOM 1631 C ALA A 109 12.264 -5.607 -0.174 1.00 0.00 C ATOM 1632 O ALA A 109 12.669 -4.912 0.756 1.00 0.00 O ATOM 1633 CB ALA A 109 9.854 -6.082 -0.572 1.00 0.00 C ATOM 0 H ALA A 109 10.651 -6.090 1.978 1.00 0.00 H new ATOM 0 HA ALA A 109 11.432 -7.531 -0.479 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.006 -5.863 -1.629 1.00 0.00 H new ATOM 0 HB2 ALA A 109 9.070 -6.832 -0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.557 -5.171 -0.052 1.00 0.00 H new ATOM 1639 N THR A 110 12.723 -5.512 -1.406 1.00 0.00 N ATOM 1640 CA THR A 110 13.806 -4.645 -1.763 1.00 0.00 C ATOM 1641 C THR A 110 13.340 -3.755 -2.886 1.00 0.00 C ATOM 1642 O THR A 110 12.661 -4.206 -3.809 1.00 0.00 O ATOM 1643 CB THR A 110 15.048 -5.434 -2.207 1.00 0.00 C ATOM 1644 OG1 THR A 110 15.398 -6.381 -1.187 1.00 0.00 O ATOM 1645 CG2 THR A 110 16.225 -4.500 -2.452 1.00 0.00 C ATOM 0 H THR A 110 12.344 -6.044 -2.189 1.00 0.00 H new ATOM 0 HA THR A 110 14.092 -4.058 -0.890 1.00 0.00 H new ATOM 0 HB THR A 110 14.816 -5.952 -3.138 1.00 0.00 H new ATOM 0 HG1 THR A 110 15.695 -5.903 -0.385 1.00 0.00 H new ATOM 0 HG21 THR A 110 17.092 -5.082 -2.765 1.00 0.00 H new ATOM 0 HG22 THR A 110 15.966 -3.785 -3.233 1.00 0.00 H new ATOM 0 HG23 THR A 110 16.461 -3.963 -1.533 1.00 0.00 H new ATOM 1653 N VAL A 111 13.665 -2.500 -2.781 1.00 0.00 N ATOM 1654 CA VAL A 111 13.187 -1.511 -3.720 1.00 0.00 C ATOM 1655 C VAL A 111 14.034 -1.459 -4.982 1.00 0.00 C ATOM 1656 O VAL A 111 15.259 -1.350 -4.928 1.00 0.00 O ATOM 1657 CB VAL A 111 13.147 -0.152 -3.035 1.00 0.00 C ATOM 1658 CG1 VAL A 111 12.735 0.958 -3.990 1.00 0.00 C ATOM 1659 CG2 VAL A 111 12.213 -0.239 -1.859 1.00 0.00 C ATOM 0 H VAL A 111 14.267 -2.127 -2.047 1.00 0.00 H new ATOM 0 HA VAL A 111 12.182 -1.794 -4.035 1.00 0.00 H new ATOM 0 HB VAL A 111 14.150 0.104 -2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 111 12.720 1.909 -3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 111 13.448 1.014 -4.813 1.00 0.00 H new ATOM 0 HG13 VAL A 111 11.741 0.748 -4.385 1.00 0.00 H new ATOM 0 HG21 VAL A 111 12.171 0.727 -1.355 1.00 0.00 H new ATOM 0 HG22 VAL A 111 11.216 -0.511 -2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.574 -0.996 -1.163 1.00 0.00 H new ATOM 1669 N LEU A 112 13.359 -1.565 -6.118 1.00 0.00 N ATOM 1670 CA LEU A 112 14.006 -1.484 -7.405 1.00 0.00 C ATOM 1671 C LEU A 112 13.965 -0.057 -7.913 1.00 0.00 C ATOM 1672 O LEU A 112 14.883 0.393 -8.598 1.00 0.00 O ATOM 1673 CB LEU A 112 13.326 -2.400 -8.424 1.00 0.00 C ATOM 1674 CG LEU A 112 13.454 -3.894 -8.159 1.00 0.00 C ATOM 1675 CD1 LEU A 112 12.500 -4.276 -7.059 1.00 0.00 C ATOM 1676 CD2 LEU A 112 13.171 -4.695 -9.421 1.00 0.00 C ATOM 0 H LEU A 112 12.350 -1.709 -6.166 1.00 0.00 H new ATOM 0 HA LEU A 112 15.040 -1.806 -7.282 1.00 0.00 H new ATOM 0 HB2 LEU A 112 12.267 -2.146 -8.463 1.00 0.00 H new ATOM 0 HB3 LEU A 112 13.741 -2.188 -9.409 1.00 0.00 H new ATOM 0 HG LEU A 112 14.475 -4.121 -7.851 1.00 0.00 H new ATOM 0 HD11 LEU A 112 12.583 -5.345 -6.860 1.00 0.00 H new ATOM 0 HD12 LEU A 112 12.745 -3.719 -6.155 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.480 -4.042 -7.364 1.00 0.00 H new ATOM 0 HD21 LEU A 112 13.269 -5.759 -9.206 1.00 0.00 H new ATOM 0 HD22 LEU A 112 12.158 -4.486 -9.765 1.00 0.00 H new ATOM 0 HD23 LEU A 112 13.883 -4.415 -10.197 1.00 0.00 H new ATOM 1688 N ALA A 113 12.895 0.657 -7.572 1.00 0.00 N ATOM 1689 CA ALA A 113 12.708 2.003 -8.068 1.00 0.00 C ATOM 1690 C ALA A 113 11.678 2.734 -7.236 1.00 0.00 C ATOM 1691 O ALA A 113 10.523 2.322 -7.161 1.00 0.00 O ATOM 1692 CB ALA A 113 12.279 1.969 -9.525 1.00 0.00 C ATOM 0 H ALA A 113 12.153 0.322 -6.958 1.00 0.00 H new ATOM 0 HA ALA A 113 13.656 2.536 -7.993 1.00 0.00 H new ATOM 0 HB1 ALA A 113 12.141 2.988 -9.888 1.00 0.00 H new ATOM 0 HB2 ALA A 113 13.047 1.473 -10.119 1.00 0.00 H new ATOM 0 HB3 ALA A 113 11.341 1.422 -9.615 1.00 0.00 H new ATOM 1698 N ALA A 114 12.104 3.785 -6.574 1.00 0.00 N ATOM 1699 CA ALA A 114 11.202 4.626 -5.836 1.00 0.00 C ATOM 1700 C ALA A 114 11.518 6.076 -6.122 1.00 0.00 C ATOM 1701 O ALA A 114 12.375 6.367 -6.957 1.00 0.00 O ATOM 1702 CB ALA A 114 11.301 4.319 -4.357 1.00 0.00 C ATOM 0 H ALA A 114 13.081 4.076 -6.534 1.00 0.00 H new ATOM 0 HA ALA A 114 10.176 4.431 -6.148 1.00 0.00 H new ATOM 0 HB1 ALA A 114 10.614 4.961 -3.805 1.00 0.00 H new ATOM 0 HB2 ALA A 114 11.040 3.275 -4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.320 4.500 -4.015 1.00 0.00 H new ATOM 1708 N ASP A 115 10.814 6.971 -5.435 1.00 0.00 N ATOM 1709 CA ASP A 115 10.840 8.396 -5.757 1.00 0.00 C ATOM 1710 C ASP A 115 10.153 8.574 -7.108 1.00 0.00 C ATOM 1711 O ASP A 115 10.376 9.535 -7.840 1.00 0.00 O ATOM 1712 CB ASP A 115 12.291 8.930 -5.764 1.00 0.00 C ATOM 1713 CG ASP A 115 12.411 10.401 -6.129 1.00 0.00 C ATOM 1714 OD1 ASP A 115 12.110 11.261 -5.277 1.00 0.00 O ATOM 1715 OD2 ASP A 115 12.816 10.707 -7.274 1.00 0.00 O1- ATOM 0 H ASP A 115 10.214 6.733 -4.646 1.00 0.00 H new ATOM 0 HA ASP A 115 10.309 8.975 -5.002 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.728 8.775 -4.778 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.879 8.343 -6.469 1.00 0.00 H new ATOM 1720 N ILE A 116 9.270 7.629 -7.409 1.00 0.00 N ATOM 1721 CA ILE A 116 8.504 7.662 -8.629 1.00 0.00 C ATOM 1722 C ILE A 116 7.282 8.517 -8.421 1.00 0.00 C ATOM 1723 O ILE A 116 6.366 8.122 -7.718 1.00 0.00 O ATOM 1724 CB ILE A 116 8.030 6.258 -9.028 1.00 0.00 C ATOM 1725 CG1 ILE A 116 9.177 5.252 -8.936 1.00 0.00 C ATOM 1726 CG2 ILE A 116 7.439 6.290 -10.424 1.00 0.00 C ATOM 1727 CD1 ILE A 116 8.817 3.866 -9.425 1.00 0.00 C ATOM 0 H ILE A 116 9.072 6.826 -6.812 1.00 0.00 H new ATOM 0 HA ILE A 116 9.143 8.064 -9.416 1.00 0.00 H new ATOM 0 HB ILE A 116 7.255 5.936 -8.333 1.00 0.00 H new ATOM 0 HG12 ILE A 116 10.021 5.624 -9.517 1.00 0.00 H new ATOM 0 HG13 ILE A 116 9.508 5.187 -7.899 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.105 5.290 -10.701 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.591 6.975 -10.445 1.00 0.00 H new ATOM 0 HG23 ILE A 116 8.196 6.628 -11.132 1.00 0.00 H new ATOM 0 HD11 ILE A 116 9.682 3.210 -9.328 1.00 0.00 H new ATOM 0 HD12 ILE A 116 7.994 3.472 -8.829 1.00 0.00 H new ATOM 0 HD13 ILE A 116 8.515 3.916 -10.471 1.00 0.00 H new ATOM 1739 N GLU A 117 7.257 9.673 -9.028 1.00 0.00 N ATOM 1740 CA GLU A 117 6.135 10.572 -8.854 1.00 0.00 C ATOM 1741 C GLU A 117 4.872 10.002 -9.484 1.00 0.00 C ATOM 1742 O GLU A 117 4.732 9.946 -10.707 1.00 0.00 O ATOM 1743 CB GLU A 117 6.447 11.939 -9.427 1.00 0.00 C ATOM 1744 CG GLU A 117 7.694 12.560 -8.828 1.00 0.00 C ATOM 1745 CD GLU A 117 7.909 13.979 -9.296 1.00 0.00 C ATOM 1746 OE1 GLU A 117 7.301 14.897 -8.708 1.00 0.00 O ATOM 1747 OE2 GLU A 117 8.686 14.185 -10.251 1.00 0.00 O1- ATOM 0 H GLU A 117 7.993 10.018 -9.645 1.00 0.00 H new ATOM 0 HA GLU A 117 5.958 10.681 -7.784 1.00 0.00 H new ATOM 0 HB2 GLU A 117 6.572 11.855 -10.507 1.00 0.00 H new ATOM 0 HB3 GLU A 117 5.599 12.602 -9.255 1.00 0.00 H new ATOM 0 HG2 GLU A 117 7.618 12.546 -7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 117 8.562 11.956 -9.095 1.00 0.00 H new ATOM 1754 N ALA A 118 3.975 9.561 -8.624 1.00 0.00 N ATOM 1755 CA ALA A 118 2.700 9.005 -9.042 1.00 0.00 C ATOM 1756 C ALA A 118 1.702 10.098 -9.375 1.00 0.00 C ATOM 1757 O ALA A 118 2.035 11.286 -9.369 1.00 0.00 O ATOM 1758 CB ALA A 118 2.129 8.098 -7.963 1.00 0.00 C ATOM 0 H ALA A 118 4.109 9.578 -7.613 1.00 0.00 H new ATOM 0 HA ALA A 118 2.880 8.418 -9.943 1.00 0.00 H new ATOM 0 HB1 ALA A 118 1.174 7.692 -8.297 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.823 7.280 -7.770 1.00 0.00 H new ATOM 0 HB3 ALA A 118 1.980 8.671 -7.048 1.00 0.00 H new ATOM 1764 N GLU A 119 0.483 9.678 -9.669 1.00 0.00 N ATOM 1765 CA GLU A 119 -0.617 10.592 -9.938 1.00 0.00 C ATOM 1766 C GLU A 119 -0.754 11.643 -8.833 1.00 0.00 C ATOM 1767 O GLU A 119 -0.776 12.843 -9.105 1.00 0.00 O ATOM 1768 CB GLU A 119 -1.914 9.797 -10.088 1.00 0.00 C ATOM 1769 CG GLU A 119 -2.036 8.645 -9.100 1.00 0.00 C ATOM 1770 CD GLU A 119 -3.345 7.903 -9.230 1.00 0.00 C ATOM 1771 OE1 GLU A 119 -4.333 8.330 -8.605 1.00 0.00 O ATOM 1772 OE2 GLU A 119 -3.388 6.888 -9.956 1.00 0.00 O1- ATOM 0 H GLU A 119 0.227 8.693 -9.728 1.00 0.00 H new ATOM 0 HA GLU A 119 -0.408 11.123 -10.867 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -2.761 10.470 -9.956 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -1.975 9.403 -11.103 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.211 7.949 -9.256 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -1.941 9.030 -8.085 1.00 0.00 H new ATOM 1779 N ASN A 120 -0.828 11.193 -7.587 1.00 0.00 N ATOM 1780 CA ASN A 120 -0.972 12.109 -6.461 1.00 0.00 C ATOM 1781 C ASN A 120 0.214 12.027 -5.506 1.00 0.00 C ATOM 1782 O ASN A 120 0.374 12.885 -4.642 1.00 0.00 O ATOM 1783 CB ASN A 120 -2.271 11.841 -5.691 1.00 0.00 C ATOM 1784 CG ASN A 120 -3.504 12.402 -6.373 1.00 0.00 C ATOM 1785 OD1 ASN A 120 -3.584 12.466 -7.601 1.00 0.00 O ATOM 1786 ND2 ASN A 120 -4.477 12.818 -5.578 1.00 0.00 N ATOM 0 H ASN A 120 -0.791 10.206 -7.331 1.00 0.00 H new ATOM 0 HA ASN A 120 -1.007 13.115 -6.880 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -2.393 10.765 -5.564 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -2.189 12.273 -4.694 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -5.330 13.208 -5.978 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -4.373 12.748 -4.566 1.00 0.00 H new ATOM 1793 N GLY A 121 1.051 11.006 -5.652 1.00 0.00 N ATOM 1794 CA GLY A 121 2.166 10.855 -4.731 1.00 0.00 C ATOM 1795 C GLY A 121 3.358 10.212 -5.365 1.00 0.00 C ATOM 1796 O GLY A 121 4.001 10.787 -6.236 1.00 0.00 O ATOM 0 H GLY A 121 0.982 10.292 -6.377 1.00 0.00 H new ATOM 0 HA2 GLY A 121 2.449 11.835 -4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 121 1.848 10.257 -3.877 1.00 0.00 H new ATOM 1800 N ILE A 122 3.636 9.008 -4.928 1.00 0.00 N ATOM 1801 CA ILE A 122 4.834 8.299 -5.316 1.00 0.00 C ATOM 1802 C ILE A 122 4.587 6.800 -5.436 1.00 0.00 C ATOM 1803 O ILE A 122 3.741 6.230 -4.748 1.00 0.00 O ATOM 1804 CB ILE A 122 5.945 8.564 -4.286 1.00 0.00 C ATOM 1805 CG1 ILE A 122 6.407 10.012 -4.371 1.00 0.00 C ATOM 1806 CG2 ILE A 122 7.120 7.621 -4.459 1.00 0.00 C ATOM 1807 CD1 ILE A 122 7.386 10.282 -5.492 1.00 0.00 C ATOM 0 H ILE A 122 3.035 8.488 -4.289 1.00 0.00 H new ATOM 0 HA ILE A 122 5.140 8.665 -6.296 1.00 0.00 H new ATOM 0 HB ILE A 122 5.526 8.379 -3.297 1.00 0.00 H new ATOM 0 HG12 ILE A 122 5.535 10.653 -4.502 1.00 0.00 H new ATOM 0 HG13 ILE A 122 6.869 10.291 -3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 122 7.880 7.845 -3.710 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.782 6.592 -4.336 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.544 7.747 -5.455 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.666 11.335 -5.485 1.00 0.00 H new ATOM 0 HD12 ILE A 122 8.276 9.669 -5.353 1.00 0.00 H new ATOM 0 HD13 ILE A 122 6.922 10.037 -6.447 1.00 0.00 H new ATOM 1819 N ILE A 123 5.330 6.188 -6.334 1.00 0.00 N ATOM 1820 CA ILE A 123 5.305 4.754 -6.539 1.00 0.00 C ATOM 1821 C ILE A 123 6.652 4.164 -6.155 1.00 0.00 C ATOM 1822 O ILE A 123 7.675 4.849 -6.221 1.00 0.00 O ATOM 1823 CB ILE A 123 4.965 4.420 -8.007 1.00 0.00 C ATOM 1824 CG1 ILE A 123 3.530 4.868 -8.289 1.00 0.00 C ATOM 1825 CG2 ILE A 123 5.155 2.933 -8.295 1.00 0.00 C ATOM 1826 CD1 ILE A 123 3.165 4.926 -9.756 1.00 0.00 C ATOM 0 H ILE A 123 5.977 6.679 -6.951 1.00 0.00 H new ATOM 0 HA ILE A 123 4.531 4.318 -5.908 1.00 0.00 H new ATOM 0 HB ILE A 123 5.646 4.953 -8.670 1.00 0.00 H new ATOM 0 HG12 ILE A 123 2.845 4.187 -7.784 1.00 0.00 H new ATOM 0 HG13 ILE A 123 3.379 5.855 -7.851 1.00 0.00 H new ATOM 0 HG21 ILE A 123 4.908 2.730 -9.337 1.00 0.00 H new ATOM 0 HG22 ILE A 123 6.192 2.656 -8.108 1.00 0.00 H new ATOM 0 HG23 ILE A 123 4.501 2.350 -7.646 1.00 0.00 H new ATOM 0 HD11 ILE A 123 2.130 5.253 -9.861 1.00 0.00 H new ATOM 0 HD12 ILE A 123 3.822 5.630 -10.267 1.00 0.00 H new ATOM 0 HD13 ILE A 123 3.280 3.937 -10.199 1.00 0.00 H new ATOM 1838 N HIS A 124 6.658 2.917 -5.718 1.00 0.00 N ATOM 1839 CA HIS A 124 7.894 2.293 -5.295 1.00 0.00 C ATOM 1840 C HIS A 124 7.904 0.813 -5.564 1.00 0.00 C ATOM 1841 O HIS A 124 7.209 0.035 -4.931 1.00 0.00 O ATOM 1842 CB HIS A 124 8.153 2.652 -3.842 1.00 0.00 C ATOM 1843 CG HIS A 124 8.507 1.598 -2.859 1.00 0.00 C ATOM 1844 ND1 HIS A 124 8.060 1.665 -1.561 1.00 0.00 N ATOM 1845 CD2 HIS A 124 9.322 0.538 -2.918 1.00 0.00 C ATOM 1846 CE1 HIS A 124 8.594 0.695 -0.866 1.00 0.00 C ATOM 1847 NE2 HIS A 124 9.359 -0.005 -1.662 1.00 0.00 N ATOM 0 H HIS A 124 5.831 2.325 -5.648 1.00 0.00 H new ATOM 0 HA HIS A 124 8.722 2.680 -5.889 1.00 0.00 H new ATOM 0 HB2 HIS A 124 8.958 3.387 -3.830 1.00 0.00 H new ATOM 0 HB3 HIS A 124 7.259 3.153 -3.470 1.00 0.00 H new ATOM 0 HD1 HIS A 124 7.412 2.363 -1.196 1.00 0.00 H new ATOM 0 HD2 HIS A 124 9.849 0.180 -3.790 1.00 0.00 H new ATOM 0 HE1 HIS A 124 8.431 0.505 0.185 1.00 0.00 H new ATOM 1856 N VAL A 125 8.764 0.455 -6.467 1.00 0.00 N ATOM 1857 CA VAL A 125 8.855 -0.903 -6.967 1.00 0.00 C ATOM 1858 C VAL A 125 9.632 -1.779 -5.999 1.00 0.00 C ATOM 1859 O VAL A 125 10.713 -1.410 -5.545 1.00 0.00 O ATOM 1860 CB VAL A 125 9.526 -0.954 -8.357 1.00 0.00 C ATOM 1861 CG1 VAL A 125 9.535 -2.376 -8.903 1.00 0.00 C ATOM 1862 CG2 VAL A 125 8.827 -0.014 -9.325 1.00 0.00 C ATOM 0 H VAL A 125 9.435 1.097 -6.889 1.00 0.00 H new ATOM 0 HA VAL A 125 7.837 -1.280 -7.061 1.00 0.00 H new ATOM 0 HB VAL A 125 10.560 -0.626 -8.246 1.00 0.00 H new ATOM 0 HG11 VAL A 125 10.013 -2.387 -9.883 1.00 0.00 H new ATOM 0 HG12 VAL A 125 10.088 -3.023 -8.223 1.00 0.00 H new ATOM 0 HG13 VAL A 125 8.511 -2.737 -8.995 1.00 0.00 H new ATOM 0 HG21 VAL A 125 9.315 -0.065 -10.298 1.00 0.00 H new ATOM 0 HG22 VAL A 125 7.782 -0.308 -9.427 1.00 0.00 H new ATOM 0 HG23 VAL A 125 8.881 1.006 -8.945 1.00 0.00 H new ATOM 1872 N ILE A 126 9.059 -2.922 -5.666 1.00 0.00 N ATOM 1873 CA ILE A 126 9.711 -3.886 -4.805 1.00 0.00 C ATOM 1874 C ILE A 126 9.782 -5.230 -5.490 1.00 0.00 C ATOM 1875 O ILE A 126 9.078 -5.497 -6.466 1.00 0.00 O ATOM 1876 CB ILE A 126 8.996 -4.059 -3.453 1.00 0.00 C ATOM 1877 CG1 ILE A 126 7.634 -4.729 -3.637 1.00 0.00 C ATOM 1878 CG2 ILE A 126 8.848 -2.719 -2.768 1.00 0.00 C ATOM 1879 CD1 ILE A 126 6.459 -3.794 -3.459 1.00 0.00 C ATOM 0 H ILE A 126 8.132 -3.205 -5.985 1.00 0.00 H new ATOM 0 HA ILE A 126 10.711 -3.498 -4.609 1.00 0.00 H new ATOM 0 HB ILE A 126 9.603 -4.708 -2.821 1.00 0.00 H new ATOM 0 HG12 ILE A 126 7.588 -5.168 -4.634 1.00 0.00 H new ATOM 0 HG13 ILE A 126 7.544 -5.548 -2.924 1.00 0.00 H new ATOM 0 HG21 ILE A 126 8.341 -2.853 -1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 126 9.834 -2.286 -2.598 1.00 0.00 H new ATOM 0 HG23 ILE A 126 8.262 -2.051 -3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 126 5.530 -4.345 -3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 126 6.477 -3.374 -2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 126 6.522 -2.988 -4.190 1.00 0.00 H new ATOM 1891 N ASP A 127 10.636 -6.066 -4.960 1.00 0.00 N ATOM 1892 CA ASP A 127 10.920 -7.351 -5.555 1.00 0.00 C ATOM 1893 C ASP A 127 10.275 -8.454 -4.740 1.00 0.00 C ATOM 1894 O ASP A 127 10.558 -9.634 -4.914 1.00 0.00 O ATOM 1895 CB ASP A 127 12.433 -7.532 -5.668 1.00 0.00 C ATOM 1896 CG ASP A 127 12.831 -8.740 -6.490 1.00 0.00 C ATOM 1897 OD1 ASP A 127 12.384 -8.844 -7.647 1.00 0.00 O ATOM 1898 OD2 ASP A 127 13.601 -9.585 -5.985 1.00 0.00 O1- ATOM 0 H ASP A 127 11.156 -5.878 -4.103 1.00 0.00 H new ATOM 0 HA ASP A 127 10.498 -7.401 -6.559 1.00 0.00 H new ATOM 0 HB2 ASP A 127 12.867 -6.638 -6.115 1.00 0.00 H new ATOM 0 HB3 ASP A 127 12.857 -7.626 -4.668 1.00 0.00 H new ATOM 1903 N THR A 128 9.365 -8.050 -3.875 1.00 0.00 N ATOM 1904 CA THR A 128 8.680 -8.968 -2.993 1.00 0.00 C ATOM 1905 C THR A 128 7.441 -8.305 -2.400 1.00 0.00 C ATOM 1906 O THR A 128 7.504 -7.174 -1.932 1.00 0.00 O ATOM 1907 CB THR A 128 9.620 -9.455 -1.868 1.00 0.00 C ATOM 1908 OG1 THR A 128 10.597 -10.365 -2.394 1.00 0.00 O ATOM 1909 CG2 THR A 128 8.847 -10.122 -0.746 1.00 0.00 C ATOM 0 H THR A 128 9.082 -7.076 -3.766 1.00 0.00 H new ATOM 0 HA THR A 128 8.370 -9.835 -3.576 1.00 0.00 H new ATOM 0 HB THR A 128 10.124 -8.580 -1.458 1.00 0.00 H new ATOM 0 HG1 THR A 128 10.469 -10.460 -3.361 1.00 0.00 H new ATOM 0 HG21 THR A 128 9.540 -10.452 0.028 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.139 -9.411 -0.320 1.00 0.00 H new ATOM 0 HG23 THR A 128 8.305 -10.983 -1.139 1.00 0.00 H new ATOM 1917 N VAL A 129 6.311 -8.988 -2.460 1.00 0.00 N ATOM 1918 CA VAL A 129 5.097 -8.487 -1.860 1.00 0.00 C ATOM 1919 C VAL A 129 5.189 -8.604 -0.342 1.00 0.00 C ATOM 1920 O VAL A 129 5.667 -9.656 0.139 1.00 0.00 O ATOM 1921 CB VAL A 129 3.863 -9.246 -2.386 1.00 0.00 C ATOM 1922 CG1 VAL A 129 2.634 -8.889 -1.581 1.00 0.00 C ATOM 1923 CG2 VAL A 129 3.638 -8.928 -3.857 1.00 0.00 C ATOM 0 H VAL A 129 6.214 -9.893 -2.920 1.00 0.00 H new ATOM 0 HA VAL A 129 4.982 -7.438 -2.133 1.00 0.00 H new ATOM 0 HB VAL A 129 4.046 -10.315 -2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 129 1.774 -9.435 -1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 129 2.793 -9.156 -0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 129 2.448 -7.818 -1.657 1.00 0.00 H new ATOM 0 HG21 VAL A 129 2.764 -9.470 -4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.476 -7.857 -3.977 1.00 0.00 H new ATOM 0 HG23 VAL A 129 4.514 -9.229 -4.432 1.00 0.00 H new