USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 653 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 Single : A 13 LYS NZ :NH3+ -115:sc= 1.68 (180deg=-0.476) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -44:sc= 0.663 USER MOD Single : A 34 THR OG1 : rot 169:sc= 1.47 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 154:sc= -0.288 (180deg=-1.03) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-5.5e-05) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -35:sc= -0.412 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -3.4! C(o=-5.9!,f=-3.4!) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.333 F(o=-0.99,f=-0.33) USER MOD Single : A 59 MET CE :methyl 165:sc= -3.38! (180deg=-3.62!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -3.26! C(o=-3.3!,f=-12!) USER MOD Single : A 64 THR OG1 : rot 85:sc= 0.628 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.863 USER MOD Single : A 74 CYS SG : rot 72:sc= 0.285 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.377) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.151 X(o=-0.15,f=-0.18) USER MOD Single : A 84 GLN :FLIP amide:sc= -3.51! C(o=-5.2!,f=-3.5!) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0346 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.0655 F(o=-4.2!,f=-0.065) USER MOD Single : A 93 SER OG : rot -23:sc= 0.966 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -8.739 1.155 -10.822 1.00 0.00 N ATOM 60 CA GLY A 7 -7.733 0.705 -11.766 1.00 0.00 C ATOM 61 C GLY A 7 -6.323 0.887 -11.242 1.00 0.00 C ATOM 62 O GLY A 7 -6.109 0.971 -10.032 1.00 0.00 O ATOM 0 HA2 GLY A 7 -7.899 -0.348 -11.995 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.844 1.256 -12.700 1.00 0.00 H new ATOM 66 N ASP A 8 -5.357 0.945 -12.152 1.00 0.00 N ATOM 67 CA ASP A 8 -3.959 1.117 -11.774 1.00 0.00 C ATOM 68 C ASP A 8 -3.738 2.473 -11.111 1.00 0.00 C ATOM 69 O ASP A 8 -4.167 3.505 -11.627 1.00 0.00 O ATOM 70 CB ASP A 8 -3.057 0.982 -13.002 1.00 0.00 C ATOM 71 CG ASP A 8 -3.576 -0.041 -13.992 1.00 0.00 C ATOM 72 OD1 ASP A 8 -3.793 -1.202 -13.586 1.00 0.00 O ATOM 73 OD2 ASP A 8 -3.763 0.318 -15.174 1.00 0.00 O ATOM 0 H ASP A 8 -5.516 0.875 -13.157 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.703 0.337 -11.057 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.973 1.950 -13.495 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.054 0.698 -12.683 1.00 0.00 H new ATOM 78 N VAL A 9 -3.067 2.463 -9.964 1.00 0.00 N ATOM 79 CA VAL A 9 -2.789 3.692 -9.230 1.00 0.00 C ATOM 80 C VAL A 9 -1.293 3.863 -8.993 1.00 0.00 C ATOM 81 O VAL A 9 -0.566 2.887 -8.810 1.00 0.00 O ATOM 82 CB VAL A 9 -3.518 3.713 -7.874 1.00 0.00 C ATOM 83 CG1 VAL A 9 -2.926 4.779 -6.965 1.00 0.00 C ATOM 84 CG2 VAL A 9 -5.009 3.939 -8.075 1.00 0.00 C ATOM 0 H VAL A 9 -2.706 1.617 -9.523 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.154 4.516 -9.843 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.382 2.744 -7.393 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.454 4.778 -6.012 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.870 4.567 -6.795 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.028 5.757 -7.436 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.509 3.951 -7.107 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.168 4.893 -8.577 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.420 3.135 -8.685 1.00 0.00 H new ATOM 94 N PHE A 10 -0.838 5.112 -8.998 1.00 0.00 N ATOM 95 CA PHE A 10 0.573 5.413 -8.783 1.00 0.00 C ATOM 96 C PHE A 10 0.746 6.446 -7.673 1.00 0.00 C ATOM 97 O PHE A 10 0.411 7.618 -7.844 1.00 0.00 O ATOM 98 CB PHE A 10 1.209 5.926 -10.077 1.00 0.00 C ATOM 99 CG PHE A 10 1.409 4.856 -11.112 1.00 0.00 C ATOM 100 CD1 PHE A 10 2.578 4.113 -11.141 1.00 0.00 C ATOM 101 CD2 PHE A 10 0.428 4.594 -12.055 1.00 0.00 C ATOM 102 CE1 PHE A 10 2.765 3.128 -12.093 1.00 0.00 C ATOM 103 CE2 PHE A 10 0.610 3.611 -13.009 1.00 0.00 C ATOM 104 CZ PHE A 10 1.779 2.876 -13.028 1.00 0.00 C ATOM 0 H PHE A 10 -1.426 5.932 -9.149 1.00 0.00 H new ATOM 0 HA PHE A 10 1.073 4.493 -8.480 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.580 6.712 -10.495 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.172 6.380 -9.844 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.351 4.305 -10.412 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.489 5.164 -12.044 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.681 2.556 -12.106 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.162 3.418 -13.739 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.922 2.106 -13.772 1.00 0.00 H new ATOM 114 N ILE A 11 1.272 6.001 -6.537 1.00 0.00 N ATOM 115 CA ILE A 11 1.490 6.886 -5.399 1.00 0.00 C ATOM 116 C ILE A 11 2.892 7.486 -5.431 1.00 0.00 C ATOM 117 O ILE A 11 3.886 6.772 -5.306 1.00 0.00 O ATOM 118 CB ILE A 11 1.291 6.145 -4.064 1.00 0.00 C ATOM 119 CG1 ILE A 11 -0.167 5.711 -3.909 1.00 0.00 C ATOM 120 CG2 ILE A 11 1.713 7.030 -2.900 1.00 0.00 C ATOM 121 CD1 ILE A 11 -1.151 6.857 -3.983 1.00 0.00 C ATOM 0 H ILE A 11 1.555 5.034 -6.380 1.00 0.00 H new ATOM 0 HA ILE A 11 0.753 7.686 -5.474 1.00 0.00 H new ATOM 0 HB ILE A 11 1.917 5.253 -4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.406 4.987 -4.688 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.286 5.202 -2.953 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.567 6.493 -1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.765 7.294 -3.006 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.110 7.938 -2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.165 6.474 -3.865 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.938 7.571 -3.188 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.060 7.353 -4.950 1.00 0.00 H new ATOM 133 N GLU A 12 2.962 8.803 -5.598 1.00 0.00 N ATOM 134 CA GLU A 12 4.242 9.500 -5.645 1.00 0.00 C ATOM 135 C GLU A 12 4.577 10.114 -4.289 1.00 0.00 C ATOM 136 O GLU A 12 3.945 11.079 -3.858 1.00 0.00 O ATOM 137 CB GLU A 12 4.216 10.590 -6.718 1.00 0.00 C ATOM 138 CG GLU A 12 4.481 10.069 -8.121 1.00 0.00 C ATOM 139 CD GLU A 12 4.975 11.151 -9.061 1.00 0.00 C ATOM 140 OE1 GLU A 12 4.793 12.344 -8.740 1.00 0.00 O ATOM 141 OE2 GLU A 12 5.544 10.806 -10.118 1.00 0.00 O ATOM 0 H GLU A 12 2.148 9.408 -5.703 1.00 0.00 H new ATOM 0 HA GLU A 12 5.014 8.772 -5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.244 11.083 -6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.962 11.347 -6.474 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.220 9.269 -8.074 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.565 9.635 -8.522 1.00 0.00 H new ATOM 148 N LYS A 13 5.576 9.548 -3.620 1.00 0.00 N ATOM 149 CA LYS A 13 5.998 10.038 -2.313 1.00 0.00 C ATOM 150 C LYS A 13 7.517 10.164 -2.244 1.00 0.00 C ATOM 151 O LYS A 13 8.211 9.954 -3.237 1.00 0.00 O ATOM 152 CB LYS A 13 5.502 9.101 -1.210 1.00 0.00 C ATOM 153 CG LYS A 13 6.267 7.791 -1.135 1.00 0.00 C ATOM 154 CD LYS A 13 6.243 7.212 0.270 1.00 0.00 C ATOM 155 CE LYS A 13 7.168 6.010 0.393 1.00 0.00 C ATOM 156 NZ LYS A 13 8.603 6.409 0.360 1.00 0.00 N ATOM 0 H LYS A 13 6.109 8.748 -3.962 1.00 0.00 H new ATOM 0 HA LYS A 13 5.562 11.026 -2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.578 9.612 -0.250 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.446 8.886 -1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.833 7.075 -1.832 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.299 7.953 -1.445 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.543 7.978 0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.225 6.917 0.526 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.958 5.484 1.325 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.966 5.312 -0.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.053 6.018 -0.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.675 7.446 0.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.085 6.042 1.205 1.00 0.00 H new ATOM 170 N GLN A 14 8.024 10.506 -1.063 1.00 0.00 N ATOM 171 CA GLN A 14 9.460 10.658 -0.865 1.00 0.00 C ATOM 172 C GLN A 14 10.025 9.495 -0.056 1.00 0.00 C ATOM 173 O GLN A 14 9.443 9.083 0.947 1.00 0.00 O ATOM 174 CB GLN A 14 9.762 11.980 -0.158 1.00 0.00 C ATOM 175 CG GLN A 14 9.601 13.199 -1.053 1.00 0.00 C ATOM 176 CD GLN A 14 10.286 14.429 -0.491 1.00 0.00 C ATOM 177 OE1 GLN A 14 11.486 14.627 -0.682 1.00 0.00 O ATOM 178 NE2 GLN A 14 9.525 15.265 0.206 1.00 0.00 N ATOM 0 H GLN A 14 7.462 10.683 -0.230 1.00 0.00 H new ATOM 0 HA GLN A 14 9.937 10.661 -1.845 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.101 12.082 0.703 1.00 0.00 H new ATOM 0 HB3 GLN A 14 10.782 11.953 0.225 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.010 12.978 -2.039 1.00 0.00 H new ATOM 0 HG3 GLN A 14 8.540 13.408 -1.188 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.534 15.062 0.340 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.931 16.110 0.607 1.00 0.00 H new ATOM 187 N LYS A 15 11.162 8.969 -0.499 1.00 0.00 N ATOM 188 CA LYS A 15 11.806 7.854 0.184 1.00 0.00 C ATOM 189 C LYS A 15 11.988 8.156 1.668 1.00 0.00 C ATOM 190 O LYS A 15 11.998 9.315 2.078 1.00 0.00 O ATOM 191 CB LYS A 15 13.164 7.553 -0.456 1.00 0.00 C ATOM 192 CG LYS A 15 13.084 7.270 -1.947 1.00 0.00 C ATOM 193 CD LYS A 15 14.374 7.649 -2.655 1.00 0.00 C ATOM 194 CE LYS A 15 14.524 6.904 -3.973 1.00 0.00 C ATOM 195 NZ LYS A 15 15.510 7.564 -4.873 1.00 0.00 N ATOM 0 H LYS A 15 11.656 9.297 -1.328 1.00 0.00 H new ATOM 0 HA LYS A 15 11.162 6.980 0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 15 13.830 8.400 -0.291 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.610 6.694 0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.877 6.212 -2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.253 7.826 -2.380 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.388 8.723 -2.839 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.224 7.425 -2.010 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.840 5.879 -3.777 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.556 6.850 -4.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.584 7.027 -5.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.196 8.534 -5.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.440 7.593 -4.408 1.00 0.00 H new ATOM 209 N GLY A 16 12.133 7.104 2.468 1.00 0.00 N ATOM 210 CA GLY A 16 12.314 7.278 3.897 1.00 0.00 C ATOM 211 C GLY A 16 11.006 7.532 4.620 1.00 0.00 C ATOM 212 O GLY A 16 10.924 7.380 5.839 1.00 0.00 O ATOM 0 H GLY A 16 12.128 6.134 2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.788 6.388 4.311 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.992 8.112 4.075 1.00 0.00 H new ATOM 216 N GLU A 17 9.982 7.922 3.868 1.00 0.00 N ATOM 217 CA GLU A 17 8.672 8.199 4.447 1.00 0.00 C ATOM 218 C GLU A 17 7.720 7.028 4.224 1.00 0.00 C ATOM 219 O GLU A 17 7.937 6.197 3.342 1.00 0.00 O ATOM 220 CB GLU A 17 8.082 9.474 3.840 1.00 0.00 C ATOM 221 CG GLU A 17 9.130 10.490 3.419 1.00 0.00 C ATOM 222 CD GLU A 17 9.697 11.264 4.594 1.00 0.00 C ATOM 223 OE1 GLU A 17 9.557 10.789 5.741 1.00 0.00 O ATOM 224 OE2 GLU A 17 10.280 12.344 4.366 1.00 0.00 O ATOM 0 H GLU A 17 10.034 8.053 2.858 1.00 0.00 H new ATOM 0 HA GLU A 17 8.799 8.341 5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.478 9.207 2.973 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.412 9.935 4.566 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.941 9.977 2.901 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.689 11.188 2.708 1.00 0.00 H new ATOM 231 N ILE A 18 6.665 6.970 5.031 1.00 0.00 N ATOM 232 CA ILE A 18 5.680 5.901 4.922 1.00 0.00 C ATOM 233 C ILE A 18 4.571 6.274 3.943 1.00 0.00 C ATOM 234 O ILE A 18 4.450 7.430 3.535 1.00 0.00 O ATOM 235 CB ILE A 18 5.052 5.573 6.290 1.00 0.00 C ATOM 236 CG1 ILE A 18 4.530 6.848 6.955 1.00 0.00 C ATOM 237 CG2 ILE A 18 6.067 4.879 7.186 1.00 0.00 C ATOM 238 CD1 ILE A 18 3.426 6.598 7.958 1.00 0.00 C ATOM 0 H ILE A 18 6.471 7.650 5.766 1.00 0.00 H new ATOM 0 HA ILE A 18 6.208 5.021 4.553 1.00 0.00 H new ATOM 0 HB ILE A 18 4.211 4.897 6.135 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.357 7.352 7.455 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.163 7.526 6.184 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.608 4.654 8.149 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.395 3.953 6.715 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.926 5.533 7.337 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.105 7.546 8.390 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.582 6.122 7.459 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.794 5.945 8.750 1.00 0.00 H new ATOM 250 N LEU A 19 3.763 5.287 3.570 1.00 0.00 N ATOM 251 CA LEU A 19 2.662 5.511 2.640 1.00 0.00 C ATOM 252 C LEU A 19 1.533 6.287 3.309 1.00 0.00 C ATOM 253 O LEU A 19 0.494 6.541 2.700 1.00 0.00 O ATOM 254 CB LEU A 19 2.136 4.175 2.112 1.00 0.00 C ATOM 255 CG LEU A 19 1.120 4.257 0.971 1.00 0.00 C ATOM 256 CD1 LEU A 19 1.651 5.133 -0.153 1.00 0.00 C ATOM 257 CD2 LEU A 19 0.785 2.866 0.454 1.00 0.00 C ATOM 0 H LEU A 19 3.850 4.325 3.897 1.00 0.00 H new ATOM 0 HA LEU A 19 3.038 6.102 1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.985 3.581 1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.679 3.634 2.941 1.00 0.00 H new ATOM 0 HG LEU A 19 0.206 4.709 1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.915 5.180 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.839 6.137 0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.580 4.710 -0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.061 2.944 -0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.692 2.386 0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.362 2.270 1.262 1.00 0.00 H new ATOM 269 N GLY A 20 1.744 6.663 4.567 1.00 0.00 N ATOM 270 CA GLY A 20 0.736 7.408 5.298 1.00 0.00 C ATOM 271 C GLY A 20 -0.673 6.955 4.968 1.00 0.00 C ATOM 272 O GLY A 20 -1.520 7.764 4.590 1.00 0.00 O ATOM 0 H GLY A 20 2.595 6.465 5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.910 7.294 6.368 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.836 8.469 5.070 1.00 0.00 H new ATOM 276 N VAL A 21 -0.924 5.658 5.110 1.00 0.00 N ATOM 277 CA VAL A 21 -2.240 5.098 4.824 1.00 0.00 C ATOM 278 C VAL A 21 -2.484 3.828 5.632 1.00 0.00 C ATOM 279 O VAL A 21 -1.594 2.990 5.775 1.00 0.00 O ATOM 280 CB VAL A 21 -2.400 4.780 3.326 1.00 0.00 C ATOM 281 CG1 VAL A 21 -1.773 3.434 2.996 1.00 0.00 C ATOM 282 CG2 VAL A 21 -3.869 4.804 2.931 1.00 0.00 C ATOM 0 H VAL A 21 -0.234 4.975 5.421 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.974 5.852 5.108 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.880 5.547 2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.896 3.226 1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.711 3.457 3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.262 2.652 3.577 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.964 4.577 1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.414 4.059 3.511 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.283 5.793 3.129 1.00 0.00 H new ATOM 292 N VAL A 22 -3.697 3.692 6.158 1.00 0.00 N ATOM 293 CA VAL A 22 -4.060 2.523 6.950 1.00 0.00 C ATOM 294 C VAL A 22 -4.869 1.529 6.124 1.00 0.00 C ATOM 295 O VAL A 22 -5.691 1.920 5.295 1.00 0.00 O ATOM 296 CB VAL A 22 -4.872 2.920 8.197 1.00 0.00 C ATOM 297 CG1 VAL A 22 -5.167 1.698 9.054 1.00 0.00 C ATOM 298 CG2 VAL A 22 -4.132 3.978 9.000 1.00 0.00 C ATOM 0 H VAL A 22 -4.445 4.377 6.050 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.129 2.054 7.267 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.822 3.343 7.871 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.741 1.998 9.930 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.742 0.976 8.473 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.230 1.243 9.373 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.720 4.247 9.877 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.166 3.585 9.317 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.978 4.862 8.382 1.00 0.00 H new ATOM 308 N ILE A 23 -4.631 0.243 6.357 1.00 0.00 N ATOM 309 CA ILE A 23 -5.340 -0.807 5.636 1.00 0.00 C ATOM 310 C ILE A 23 -5.928 -1.834 6.598 1.00 0.00 C ATOM 311 O ILE A 23 -5.422 -2.027 7.703 1.00 0.00 O ATOM 312 CB ILE A 23 -4.415 -1.527 4.637 1.00 0.00 C ATOM 313 CG1 ILE A 23 -3.268 -2.218 5.377 1.00 0.00 C ATOM 314 CG2 ILE A 23 -3.873 -0.541 3.612 1.00 0.00 C ATOM 315 CD1 ILE A 23 -2.729 -3.434 4.657 1.00 0.00 C ATOM 0 H ILE A 23 -3.953 -0.097 7.039 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.148 -0.323 5.087 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.993 -2.287 4.112 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.458 -1.503 5.523 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.613 -2.515 6.367 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.221 -1.065 2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.702 -0.090 3.067 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.307 0.239 4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.919 -3.872 5.240 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.526 -4.167 4.535 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.353 -3.140 3.677 1.00 0.00 H new ATOM 327 N VAL A 24 -6.999 -2.494 6.168 1.00 0.00 N ATOM 328 CA VAL A 24 -7.655 -3.504 6.990 1.00 0.00 C ATOM 329 C VAL A 24 -8.148 -4.669 6.139 1.00 0.00 C ATOM 330 O VAL A 24 -7.961 -4.684 4.923 1.00 0.00 O ATOM 331 CB VAL A 24 -8.846 -2.910 7.766 1.00 0.00 C ATOM 332 CG1 VAL A 24 -8.355 -2.014 8.893 1.00 0.00 C ATOM 333 CG2 VAL A 24 -9.764 -2.143 6.827 1.00 0.00 C ATOM 0 H VAL A 24 -7.431 -2.347 5.255 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.912 -3.865 7.701 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.415 -3.729 8.206 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.210 -1.603 9.430 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.741 -2.597 9.580 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.762 -1.199 8.478 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.600 -1.730 7.392 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.208 -1.332 6.357 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.143 -2.816 6.058 1.00 0.00 H new ATOM 343 N GLU A 25 -8.779 -5.643 6.787 1.00 0.00 N ATOM 344 CA GLU A 25 -9.299 -6.813 6.089 1.00 0.00 C ATOM 345 C GLU A 25 -10.456 -6.429 5.171 1.00 0.00 C ATOM 346 O GLU A 25 -11.397 -5.755 5.590 1.00 0.00 O ATOM 347 CB GLU A 25 -9.759 -7.871 7.093 1.00 0.00 C ATOM 348 CG GLU A 25 -8.690 -8.260 8.100 1.00 0.00 C ATOM 349 CD GLU A 25 -9.092 -9.451 8.948 1.00 0.00 C ATOM 350 OE1 GLU A 25 -8.835 -10.597 8.521 1.00 0.00 O ATOM 351 OE2 GLU A 25 -9.664 -9.239 10.037 1.00 0.00 O ATOM 0 H GLU A 25 -8.942 -5.645 7.794 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.496 -7.227 5.479 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.632 -7.497 7.628 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.076 -8.761 6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.765 -8.491 7.571 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.482 -7.410 8.750 1.00 0.00 H new ATOM 358 N SER A 26 -10.379 -6.863 3.918 1.00 0.00 N ATOM 359 CA SER A 26 -11.418 -6.562 2.939 1.00 0.00 C ATOM 360 C SER A 26 -12.520 -7.616 2.976 1.00 0.00 C ATOM 361 O SER A 26 -13.187 -7.868 1.973 1.00 0.00 O ATOM 362 CB SER A 26 -10.817 -6.485 1.534 1.00 0.00 C ATOM 363 OG SER A 26 -11.773 -6.023 0.596 1.00 0.00 O ATOM 0 H SER A 26 -9.608 -7.424 3.556 1.00 0.00 H new ATOM 0 HA SER A 26 -11.854 -5.596 3.193 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.956 -5.817 1.539 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.455 -7.469 1.235 1.00 0.00 H new ATOM 0 HG SER A 26 -12.628 -6.475 0.751 1.00 0.00 H new ATOM 437 N LEU A 32 -12.766 -10.438 -3.674 1.00 0.00 N ATOM 438 CA LEU A 32 -11.386 -10.761 -3.328 1.00 0.00 C ATOM 439 C LEU A 32 -10.962 -10.042 -2.051 1.00 0.00 C ATOM 440 O LEU A 32 -10.584 -8.870 -2.066 1.00 0.00 O ATOM 441 CB LEU A 32 -10.449 -10.381 -4.476 1.00 0.00 C ATOM 442 CG LEU A 32 -10.457 -11.315 -5.687 1.00 0.00 C ATOM 443 CD1 LEU A 32 -9.845 -12.660 -5.328 1.00 0.00 C ATOM 444 CD2 LEU A 32 -11.875 -11.496 -6.211 1.00 0.00 C ATOM 0 HA LEU A 32 -11.323 -11.835 -3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.710 -9.378 -4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.432 -10.332 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.854 -10.863 -6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.859 -13.311 -6.202 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.816 -12.515 -5.000 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.421 -13.119 -4.524 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.862 -12.163 -7.073 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.500 -11.926 -5.428 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.280 -10.528 -6.508 1.00 0.00 H new ATOM 456 N PRO A 33 -11.023 -10.759 -0.920 1.00 0.00 N ATOM 457 CA PRO A 33 -10.647 -10.211 0.387 1.00 0.00 C ATOM 458 C PRO A 33 -9.146 -9.971 0.504 1.00 0.00 C ATOM 459 O PRO A 33 -8.403 -10.835 0.971 1.00 0.00 O ATOM 460 CB PRO A 33 -11.094 -11.296 1.369 1.00 0.00 C ATOM 461 CG PRO A 33 -11.085 -12.555 0.573 1.00 0.00 C ATOM 462 CD PRO A 33 -11.464 -12.161 -0.828 1.00 0.00 C ATOM 0 HA PRO A 33 -11.105 -9.239 0.569 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.417 -11.362 2.221 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -12.087 -11.086 1.766 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.101 -13.023 0.594 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.791 -13.279 0.980 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.968 -12.788 -1.569 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.537 -12.257 -0.996 1.00 0.00 H new ATOM 470 N THR A 34 -8.704 -8.791 0.078 1.00 0.00 N ATOM 471 CA THR A 34 -7.292 -8.438 0.135 1.00 0.00 C ATOM 472 C THR A 34 -7.025 -7.413 1.231 1.00 0.00 C ATOM 473 O THR A 34 -6.500 -7.746 2.293 1.00 0.00 O ATOM 474 CB THR A 34 -6.799 -7.875 -1.211 1.00 0.00 C ATOM 475 OG1 THR A 34 -7.546 -6.703 -1.555 1.00 0.00 O ATOM 476 CG2 THR A 34 -6.936 -8.912 -2.315 1.00 0.00 C ATOM 0 H THR A 34 -9.305 -8.064 -0.310 1.00 0.00 H new ATOM 0 HA THR A 34 -6.746 -9.354 0.359 1.00 0.00 H new ATOM 0 HB THR A 34 -5.745 -7.616 -1.107 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.116 -6.251 -2.311 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.581 -8.491 -3.256 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.342 -9.791 -2.064 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.983 -9.198 -2.417 1.00 0.00 H new ATOM 484 N VAL A 35 -7.391 -6.162 0.966 1.00 0.00 N ATOM 485 CA VAL A 35 -7.192 -5.087 1.931 1.00 0.00 C ATOM 486 C VAL A 35 -7.789 -3.779 1.426 1.00 0.00 C ATOM 487 O VAL A 35 -7.710 -3.466 0.238 1.00 0.00 O ATOM 488 CB VAL A 35 -5.697 -4.874 2.234 1.00 0.00 C ATOM 489 CG1 VAL A 35 -5.259 -5.747 3.400 1.00 0.00 C ATOM 490 CG2 VAL A 35 -4.858 -5.159 0.999 1.00 0.00 C ATOM 0 H VAL A 35 -7.827 -5.869 0.092 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.701 -5.386 2.847 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.546 -3.832 2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.200 -5.583 3.600 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.839 -5.489 4.286 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.423 -6.795 3.151 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.804 -5.004 1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.012 -6.191 0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.155 -4.487 0.194 1.00 0.00 H new ATOM 500 N ILE A 36 -8.387 -3.017 2.337 1.00 0.00 N ATOM 501 CA ILE A 36 -8.996 -1.741 1.984 1.00 0.00 C ATOM 502 C ILE A 36 -8.530 -0.631 2.921 1.00 0.00 C ATOM 503 O ILE A 36 -8.262 -0.871 4.098 1.00 0.00 O ATOM 504 CB ILE A 36 -10.533 -1.820 2.026 1.00 0.00 C ATOM 505 CG1 ILE A 36 -10.996 -2.496 3.318 1.00 0.00 C ATOM 506 CG2 ILE A 36 -11.058 -2.572 0.811 1.00 0.00 C ATOM 507 CD1 ILE A 36 -12.485 -2.384 3.559 1.00 0.00 C ATOM 0 H ILE A 36 -8.462 -3.262 3.324 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.679 -1.512 0.967 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.935 -0.807 2.004 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.720 -3.550 3.286 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.465 -2.053 4.161 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -12.146 -2.620 0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.754 -2.053 -0.098 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.651 -3.583 0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.741 -2.886 4.492 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.765 -1.333 3.623 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -13.023 -2.853 2.735 1.00 0.00 H new ATOM 519 N ILE A 37 -8.436 0.583 2.390 1.00 0.00 N ATOM 520 CA ILE A 37 -8.005 1.730 3.179 1.00 0.00 C ATOM 521 C ILE A 37 -8.983 2.014 4.315 1.00 0.00 C ATOM 522 O ILE A 37 -10.132 2.387 4.080 1.00 0.00 O ATOM 523 CB ILE A 37 -7.867 2.993 2.309 1.00 0.00 C ATOM 524 CG1 ILE A 37 -7.139 2.662 1.004 1.00 0.00 C ATOM 525 CG2 ILE A 37 -7.129 4.084 3.071 1.00 0.00 C ATOM 526 CD1 ILE A 37 -8.068 2.276 -0.125 1.00 0.00 C ATOM 0 H ILE A 37 -8.653 0.798 1.417 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.030 1.478 3.595 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.864 3.359 2.065 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.548 3.525 0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.440 1.845 1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.040 4.970 2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.683 4.335 3.975 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.134 3.730 3.342 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.483 2.055 -1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.641 1.394 0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.750 3.100 -0.333 1.00 0.00 H new ATOM 538 N ALA A 38 -8.518 1.837 5.547 1.00 0.00 N ATOM 539 CA ALA A 38 -9.349 2.078 6.720 1.00 0.00 C ATOM 540 C ALA A 38 -9.251 3.530 7.173 1.00 0.00 C ATOM 541 O ALA A 38 -10.126 4.030 7.879 1.00 0.00 O ATOM 542 CB ALA A 38 -8.951 1.141 7.851 1.00 0.00 C ATOM 0 H ALA A 38 -7.570 1.527 5.759 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.386 1.880 6.447 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.580 1.332 8.720 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.081 0.107 7.530 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.907 1.311 8.114 1.00 0.00 H new ATOM 548 N ASN A 39 -8.180 4.202 6.764 1.00 0.00 N ATOM 549 CA ASN A 39 -7.967 5.598 7.130 1.00 0.00 C ATOM 550 C ASN A 39 -6.736 6.162 6.428 1.00 0.00 C ATOM 551 O ASN A 39 -5.838 5.419 6.033 1.00 0.00 O ATOM 552 CB ASN A 39 -7.809 5.731 8.646 1.00 0.00 C ATOM 553 CG ASN A 39 -8.270 7.081 9.159 1.00 0.00 C ATOM 554 OD1 ASN A 39 -7.524 8.060 9.120 1.00 0.00 O ATOM 555 ND2 ASN A 39 -9.504 7.140 9.644 1.00 0.00 N ATOM 0 H ASN A 39 -7.446 3.803 6.179 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.839 6.169 6.811 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.380 4.944 9.138 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.763 5.581 8.914 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.869 8.022 10.004 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.087 6.303 9.657 1.00 0.00 H new ATOM 562 N MET A 40 -6.702 7.482 6.276 1.00 0.00 N ATOM 563 CA MET A 40 -5.580 8.147 5.623 1.00 0.00 C ATOM 564 C MET A 40 -4.984 9.221 6.527 1.00 0.00 C ATOM 565 O MET A 40 -5.711 9.980 7.167 1.00 0.00 O ATOM 566 CB MET A 40 -6.029 8.769 4.299 1.00 0.00 C ATOM 567 CG MET A 40 -6.108 7.772 3.155 1.00 0.00 C ATOM 568 SD MET A 40 -6.389 8.565 1.560 1.00 0.00 S ATOM 569 CE MET A 40 -8.177 8.522 1.470 1.00 0.00 C ATOM 0 H MET A 40 -7.438 8.112 6.596 1.00 0.00 H new ATOM 0 HA MET A 40 -4.813 7.399 5.423 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.007 9.230 4.437 1.00 0.00 H new ATOM 0 HB3 MET A 40 -5.337 9.566 4.028 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.182 7.199 3.113 1.00 0.00 H new ATOM 0 HG3 MET A 40 -6.913 7.063 3.351 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.505 8.978 0.536 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.518 7.488 1.508 1.00 0.00 H new ATOM 0 HE3 MET A 40 -8.597 9.074 2.311 1.00 0.00 H new ATOM 579 N MET A 41 -3.657 9.280 6.573 1.00 0.00 N ATOM 580 CA MET A 41 -2.964 10.263 7.398 1.00 0.00 C ATOM 581 C MET A 41 -3.406 11.679 7.044 1.00 0.00 C ATOM 582 O MET A 41 -3.850 11.940 5.925 1.00 0.00 O ATOM 583 CB MET A 41 -1.450 10.130 7.224 1.00 0.00 C ATOM 584 CG MET A 41 -0.650 10.775 8.344 1.00 0.00 C ATOM 585 SD MET A 41 -0.738 9.843 9.885 1.00 0.00 S ATOM 586 CE MET A 41 0.033 8.303 9.394 1.00 0.00 C ATOM 0 H MET A 41 -3.040 8.659 6.049 1.00 0.00 H new ATOM 0 HA MET A 41 -3.221 10.071 8.440 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.191 9.073 7.166 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.161 10.582 6.275 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.392 10.864 8.037 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.020 11.786 8.514 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.469 7.820 10.268 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.716 7.646 8.952 1.00 0.00 H new ATOM 0 HE3 MET A 41 0.816 8.505 8.663 1.00 0.00 H new ATOM 596 N HIS A 42 -3.283 12.590 8.004 1.00 0.00 N ATOM 597 CA HIS A 42 -3.670 13.980 7.792 1.00 0.00 C ATOM 598 C HIS A 42 -2.541 14.764 7.129 1.00 0.00 C ATOM 599 O HIS A 42 -2.224 15.881 7.537 1.00 0.00 O ATOM 600 CB HIS A 42 -4.048 14.635 9.121 1.00 0.00 C ATOM 601 CG HIS A 42 -5.080 15.711 8.987 1.00 0.00 C ATOM 602 ND1 HIS A 42 -4.763 17.047 8.864 1.00 0.00 N ATOM 603 CD2 HIS A 42 -6.432 15.643 8.954 1.00 0.00 C ATOM 604 CE1 HIS A 42 -5.874 17.755 8.763 1.00 0.00 C ATOM 605 NE2 HIS A 42 -6.901 16.926 8.815 1.00 0.00 N ATOM 0 H HIS A 42 -2.919 12.391 8.936 1.00 0.00 H new ATOM 0 HA HIS A 42 -4.536 13.993 7.130 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.420 13.869 9.801 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.152 15.057 9.576 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -7.030 14.746 9.024 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -5.932 18.828 8.656 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -7.883 17.195 8.761 1.00 0.00 H new ATOM 614 N GLY A 43 -1.936 14.169 6.105 1.00 0.00 N ATOM 615 CA GLY A 43 -0.849 14.826 5.403 1.00 0.00 C ATOM 616 C GLY A 43 0.163 13.841 4.851 1.00 0.00 C ATOM 617 O GLY A 43 1.361 14.119 4.829 1.00 0.00 O ATOM 0 H GLY A 43 -2.179 13.244 5.749 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.256 15.421 4.585 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.347 15.516 6.081 1.00 0.00 H new ATOM 621 N GLY A 44 -0.320 12.685 4.406 1.00 0.00 N ATOM 622 CA GLY A 44 0.565 11.672 3.860 1.00 0.00 C ATOM 623 C GLY A 44 0.524 11.623 2.346 1.00 0.00 C ATOM 624 O GLY A 44 -0.161 12.412 1.696 1.00 0.00 O ATOM 0 H GLY A 44 -1.308 12.432 4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.586 11.871 4.187 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.287 10.697 4.260 1.00 0.00 H new ATOM 628 N PRO A 45 1.275 10.677 1.761 1.00 0.00 N ATOM 629 CA PRO A 45 1.340 10.506 0.306 1.00 0.00 C ATOM 630 C PRO A 45 0.036 9.968 -0.273 1.00 0.00 C ATOM 631 O PRO A 45 -0.367 10.342 -1.374 1.00 0.00 O ATOM 632 CB PRO A 45 2.468 9.489 0.119 1.00 0.00 C ATOM 633 CG PRO A 45 2.507 8.727 1.399 1.00 0.00 C ATOM 634 CD PRO A 45 2.117 9.703 2.474 1.00 0.00 C ATOM 0 HA PRO A 45 1.510 11.452 -0.209 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.272 8.831 -0.728 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.419 9.984 -0.076 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.819 7.882 1.371 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.502 8.322 1.582 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.571 9.215 3.281 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.990 10.178 2.921 1.00 0.00 H new ATOM 642 N ALA A 46 -0.620 9.088 0.477 1.00 0.00 N ATOM 643 CA ALA A 46 -1.880 8.500 0.039 1.00 0.00 C ATOM 644 C ALA A 46 -3.013 9.519 0.104 1.00 0.00 C ATOM 645 O ALA A 46 -3.868 9.567 -0.780 1.00 0.00 O ATOM 646 CB ALA A 46 -2.216 7.280 0.883 1.00 0.00 C ATOM 0 H ALA A 46 -0.300 8.767 1.391 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.765 8.189 -0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.159 6.852 0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.424 6.538 0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.306 7.575 1.929 1.00 0.00 H new ATOM 652 N GLU A 47 -3.013 10.330 1.157 1.00 0.00 N ATOM 653 CA GLU A 47 -4.043 11.347 1.337 1.00 0.00 C ATOM 654 C GLU A 47 -3.915 12.444 0.284 1.00 0.00 C ATOM 655 O GLU A 47 -4.913 13.004 -0.171 1.00 0.00 O ATOM 656 CB GLU A 47 -3.950 11.956 2.737 1.00 0.00 C ATOM 657 CG GLU A 47 -4.838 13.174 2.932 1.00 0.00 C ATOM 658 CD GLU A 47 -6.217 12.814 3.448 1.00 0.00 C ATOM 659 OE1 GLU A 47 -6.889 11.974 2.812 1.00 0.00 O ATOM 660 OE2 GLU A 47 -6.625 13.372 4.488 1.00 0.00 O ATOM 0 H GLU A 47 -2.312 10.303 1.898 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.015 10.867 1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.221 11.198 3.472 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.915 12.236 2.934 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.360 13.859 3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.936 13.703 1.984 1.00 0.00 H new ATOM 667 N LYS A 48 -2.679 12.746 -0.100 1.00 0.00 N ATOM 668 CA LYS A 48 -2.418 13.775 -1.100 1.00 0.00 C ATOM 669 C LYS A 48 -2.580 13.216 -2.510 1.00 0.00 C ATOM 670 O LYS A 48 -3.113 13.885 -3.395 1.00 0.00 O ATOM 671 CB LYS A 48 -1.008 14.341 -0.923 1.00 0.00 C ATOM 672 CG LYS A 48 -0.920 15.441 0.121 1.00 0.00 C ATOM 673 CD LYS A 48 0.520 15.851 0.380 1.00 0.00 C ATOM 674 CE LYS A 48 1.187 14.933 1.393 1.00 0.00 C ATOM 675 NZ LYS A 48 2.452 15.515 1.920 1.00 0.00 N ATOM 0 H LYS A 48 -1.842 12.293 0.266 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.144 14.576 -0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.333 13.532 -0.644 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.659 14.731 -1.879 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.491 16.307 -0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.374 15.099 1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.079 15.830 -0.555 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.547 16.878 0.745 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.502 14.745 2.219 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.397 13.970 0.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.876 14.859 2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.116 15.671 1.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.249 16.422 2.387 1.00 0.00 H new ATOM 689 N SER A 49 -2.118 11.986 -2.711 1.00 0.00 N ATOM 690 CA SER A 49 -2.209 11.339 -4.015 1.00 0.00 C ATOM 691 C SER A 49 -3.641 11.373 -4.539 1.00 0.00 C ATOM 692 O SER A 49 -3.872 11.537 -5.736 1.00 0.00 O ATOM 693 CB SER A 49 -1.722 9.891 -3.924 1.00 0.00 C ATOM 694 OG SER A 49 -2.589 9.111 -3.120 1.00 0.00 O ATOM 0 H SER A 49 -1.677 11.418 -1.988 1.00 0.00 H new ATOM 0 HA SER A 49 -1.573 11.886 -4.710 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.663 9.461 -4.924 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.715 9.868 -3.507 1.00 0.00 H new ATOM 0 HG SER A 49 -2.943 9.662 -2.391 1.00 0.00 H new ATOM 700 N GLY A 50 -4.601 11.217 -3.632 1.00 0.00 N ATOM 701 CA GLY A 50 -5.999 11.233 -4.021 1.00 0.00 C ATOM 702 C GLY A 50 -6.331 10.156 -5.034 1.00 0.00 C ATOM 703 O GLY A 50 -7.364 10.217 -5.701 1.00 0.00 O ATOM 0 H GLY A 50 -4.435 11.080 -2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.621 11.099 -3.136 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.246 12.209 -4.439 1.00 0.00 H new ATOM 707 N LYS A 51 -5.453 9.166 -5.152 1.00 0.00 N ATOM 708 CA LYS A 51 -5.656 8.070 -6.092 1.00 0.00 C ATOM 709 C LYS A 51 -6.604 7.025 -5.511 1.00 0.00 C ATOM 710 O LYS A 51 -7.235 6.266 -6.249 1.00 0.00 O ATOM 711 CB LYS A 51 -4.318 7.419 -6.446 1.00 0.00 C ATOM 712 CG LYS A 51 -3.274 8.406 -6.941 1.00 0.00 C ATOM 713 CD LYS A 51 -3.336 8.573 -8.450 1.00 0.00 C ATOM 714 CE LYS A 51 -4.284 9.693 -8.848 1.00 0.00 C ATOM 715 NZ LYS A 51 -4.256 9.949 -10.315 1.00 0.00 N ATOM 0 H LYS A 51 -4.593 9.100 -4.608 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.104 8.479 -6.998 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.931 6.903 -5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.483 6.662 -7.213 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.429 9.372 -6.460 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.281 8.062 -6.653 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.339 8.785 -8.835 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.662 7.639 -8.907 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.298 9.435 -8.544 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.013 10.604 -8.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.916 10.719 -10.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.294 10.220 -10.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.539 9.087 -10.823 1.00 0.00 H new ATOM 729 N LEU A 52 -6.700 6.991 -4.187 1.00 0.00 N ATOM 730 CA LEU A 52 -7.572 6.039 -3.507 1.00 0.00 C ATOM 731 C LEU A 52 -8.556 6.760 -2.592 1.00 0.00 C ATOM 732 O LEU A 52 -8.545 7.987 -2.496 1.00 0.00 O ATOM 733 CB LEU A 52 -6.740 5.044 -2.696 1.00 0.00 C ATOM 734 CG LEU A 52 -5.482 5.605 -2.032 1.00 0.00 C ATOM 735 CD1 LEU A 52 -4.444 5.974 -3.080 1.00 0.00 C ATOM 736 CD2 LEU A 52 -5.826 6.812 -1.172 1.00 0.00 C ATOM 0 H LEU A 52 -6.185 7.611 -3.562 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.138 5.497 -4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.376 4.616 -1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.446 4.226 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.060 4.833 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.556 6.371 -2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.175 5.087 -3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.856 6.728 -3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.919 7.198 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.273 7.587 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.533 6.517 -0.397 1.00 0.00 H new ATOM 748 N ASN A 53 -9.405 5.989 -1.920 1.00 0.00 N ATOM 749 CA ASN A 53 -10.396 6.555 -1.011 1.00 0.00 C ATOM 750 C ASN A 53 -10.754 5.561 0.089 1.00 0.00 C ATOM 751 O ASN A 53 -10.504 4.362 -0.038 1.00 0.00 O ATOM 752 CB ASN A 53 -11.656 6.955 -1.782 1.00 0.00 C ATOM 753 CG ASN A 53 -11.355 7.358 -3.213 1.00 0.00 C ATOM 754 OD1 ASN A 53 -10.792 6.434 -3.982 1.00 0.00 O flip ATOM 755 ND2 ASN A 53 -11.625 8.488 -3.621 1.00 0.00 N flip ATOM 0 H ASN A 53 -9.427 4.971 -1.988 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.964 7.442 -0.548 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.358 6.121 -1.782 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.145 7.783 -1.269 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.058 9.167 -2.994 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.416 8.745 -4.586 1.00 0.00 H new ATOM 762 N ILE A 54 -11.341 6.068 1.169 1.00 0.00 N ATOM 763 CA ILE A 54 -11.734 5.225 2.290 1.00 0.00 C ATOM 764 C ILE A 54 -12.758 4.180 1.860 1.00 0.00 C ATOM 765 O ILE A 54 -13.917 4.500 1.601 1.00 0.00 O ATOM 766 CB ILE A 54 -12.324 6.060 3.443 1.00 0.00 C ATOM 767 CG1 ILE A 54 -11.373 7.200 3.813 1.00 0.00 C ATOM 768 CG2 ILE A 54 -12.597 5.177 4.651 1.00 0.00 C ATOM 769 CD1 ILE A 54 -10.081 6.728 4.443 1.00 0.00 C ATOM 0 H ILE A 54 -11.554 7.058 1.290 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.831 4.724 2.639 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.269 6.492 3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.142 7.775 2.916 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.879 7.875 4.503 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.013 5.781 5.457 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.308 4.397 4.378 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.666 4.719 4.985 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.456 7.589 4.679 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.302 6.178 5.358 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.553 6.077 3.746 1.00 0.00 H new ATOM 781 N GLY A 55 -12.321 2.926 1.787 1.00 0.00 N ATOM 782 CA GLY A 55 -13.212 1.852 1.389 1.00 0.00 C ATOM 783 C GLY A 55 -12.677 1.060 0.212 1.00 0.00 C ATOM 784 O GLY A 55 -12.990 -0.120 0.055 1.00 0.00 O ATOM 0 H GLY A 55 -11.366 2.635 1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.367 1.181 2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.185 2.269 1.130 1.00 0.00 H new ATOM 788 N ASP A 56 -11.868 1.710 -0.617 1.00 0.00 N ATOM 789 CA ASP A 56 -11.288 1.060 -1.786 1.00 0.00 C ATOM 790 C ASP A 56 -10.339 -0.060 -1.370 1.00 0.00 C ATOM 791 O ASP A 56 -9.646 0.046 -0.359 1.00 0.00 O ATOM 792 CB ASP A 56 -10.545 2.081 -2.649 1.00 0.00 C ATOM 793 CG ASP A 56 -11.435 2.699 -3.710 1.00 0.00 C ATOM 794 OD1 ASP A 56 -12.645 2.861 -3.448 1.00 0.00 O ATOM 795 OD2 ASP A 56 -10.921 3.019 -4.803 1.00 0.00 O ATOM 0 H ASP A 56 -11.599 2.687 -0.501 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.100 0.626 -2.370 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.144 2.869 -2.011 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.695 1.596 -3.129 1.00 0.00 H new ATOM 800 N GLN A 57 -10.314 -1.131 -2.157 1.00 0.00 N ATOM 801 CA GLN A 57 -9.451 -2.270 -1.869 1.00 0.00 C ATOM 802 C GLN A 57 -8.322 -2.370 -2.889 1.00 0.00 C ATOM 803 O GLN A 57 -8.473 -1.954 -4.038 1.00 0.00 O ATOM 804 CB GLN A 57 -10.265 -3.565 -1.863 1.00 0.00 C ATOM 805 CG GLN A 57 -10.316 -4.258 -3.215 1.00 0.00 C ATOM 806 CD GLN A 57 -11.469 -5.236 -3.326 1.00 0.00 C ATOM 807 OE1 GLN A 57 -11.233 -6.478 -2.918 1.00 0.00 O flip ATOM 808 NE2 GLN A 57 -12.559 -4.881 -3.774 1.00 0.00 N flip ATOM 0 H GLN A 57 -10.881 -1.233 -2.998 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.012 -2.120 -0.883 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.838 -4.249 -1.129 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.282 -3.344 -1.539 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.404 -3.508 -4.001 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.378 -4.787 -3.383 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.697 -3.917 -4.076 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -13.325 -5.551 -3.843 1.00 0.00 H new ATOM 817 N ILE A 58 -7.192 -2.924 -2.462 1.00 0.00 N ATOM 818 CA ILE A 58 -6.039 -3.078 -3.339 1.00 0.00 C ATOM 819 C ILE A 58 -5.967 -4.491 -3.909 1.00 0.00 C ATOM 820 O ILE A 58 -5.844 -5.465 -3.167 1.00 0.00 O ATOM 821 CB ILE A 58 -4.724 -2.768 -2.600 1.00 0.00 C ATOM 822 CG1 ILE A 58 -4.846 -1.454 -1.825 1.00 0.00 C ATOM 823 CG2 ILE A 58 -3.566 -2.702 -3.585 1.00 0.00 C ATOM 824 CD1 ILE A 58 -3.652 -1.158 -0.946 1.00 0.00 C ATOM 0 H ILE A 58 -7.051 -3.273 -1.514 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.165 -2.365 -4.154 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.526 -3.570 -1.889 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.978 -0.635 -2.532 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.743 -1.488 -1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.643 -2.482 -3.048 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.469 -3.659 -4.097 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.755 -1.917 -4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.808 -0.212 -0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.531 -1.957 -0.215 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.755 -1.091 -1.561 1.00 0.00 H new ATOM 836 N MET A 59 -6.044 -4.594 -5.232 1.00 0.00 N ATOM 837 CA MET A 59 -5.985 -5.888 -5.902 1.00 0.00 C ATOM 838 C MET A 59 -4.577 -6.471 -5.835 1.00 0.00 C ATOM 839 O MET A 59 -4.402 -7.677 -5.660 1.00 0.00 O ATOM 840 CB MET A 59 -6.424 -5.751 -7.361 1.00 0.00 C ATOM 841 CG MET A 59 -7.925 -5.891 -7.560 1.00 0.00 C ATOM 842 SD MET A 59 -8.424 -7.590 -7.902 1.00 0.00 S ATOM 843 CE MET A 59 -8.414 -8.284 -6.250 1.00 0.00 C ATOM 0 H MET A 59 -6.147 -3.798 -5.861 1.00 0.00 H new ATOM 0 HA MET A 59 -6.665 -6.567 -5.388 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.105 -4.779 -7.738 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.915 -6.508 -7.958 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.441 -5.538 -6.667 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.240 -5.251 -8.384 1.00 0.00 H new ATOM 0 HE1 MET A 59 -8.948 -9.234 -6.251 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.385 -8.446 -5.930 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.903 -7.594 -5.563 1.00 0.00 H new ATOM 853 N SER A 60 -3.576 -5.607 -5.976 1.00 0.00 N ATOM 854 CA SER A 60 -2.184 -6.038 -5.936 1.00 0.00 C ATOM 855 C SER A 60 -1.262 -4.867 -5.607 1.00 0.00 C ATOM 856 O SER A 60 -1.698 -3.717 -5.552 1.00 0.00 O ATOM 857 CB SER A 60 -1.781 -6.659 -7.274 1.00 0.00 C ATOM 858 OG SER A 60 -2.015 -5.760 -8.345 1.00 0.00 O ATOM 0 H SER A 60 -3.704 -4.605 -6.119 1.00 0.00 H new ATOM 0 HA SER A 60 -2.084 -6.788 -5.151 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.726 -6.932 -7.249 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.345 -7.578 -7.437 1.00 0.00 H new ATOM 0 HG SER A 60 -1.748 -6.180 -9.189 1.00 0.00 H new ATOM 864 N ILE A 61 0.013 -5.169 -5.390 1.00 0.00 N ATOM 865 CA ILE A 61 0.997 -4.142 -5.069 1.00 0.00 C ATOM 866 C ILE A 61 2.237 -4.275 -5.946 1.00 0.00 C ATOM 867 O ILE A 61 3.093 -5.125 -5.703 1.00 0.00 O ATOM 868 CB ILE A 61 1.419 -4.211 -3.589 1.00 0.00 C ATOM 869 CG1 ILE A 61 0.261 -3.780 -2.686 1.00 0.00 C ATOM 870 CG2 ILE A 61 2.641 -3.338 -3.346 1.00 0.00 C ATOM 871 CD1 ILE A 61 0.480 -4.108 -1.225 1.00 0.00 C ATOM 0 H ILE A 61 0.389 -6.116 -5.430 1.00 0.00 H new ATOM 0 HA ILE A 61 0.522 -3.179 -5.259 1.00 0.00 H new ATOM 0 HB ILE A 61 1.679 -5.242 -3.348 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.110 -2.706 -2.790 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.654 -4.265 -3.026 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.927 -3.397 -2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.466 -3.686 -3.967 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.406 -2.304 -3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.380 -3.774 -0.644 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.601 -5.185 -1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.377 -3.601 -0.869 1.00 0.00 H new ATOM 883 N ASN A 62 2.327 -3.427 -6.966 1.00 0.00 N ATOM 884 CA ASN A 62 3.464 -3.449 -7.879 1.00 0.00 C ATOM 885 C ASN A 62 3.564 -4.794 -8.592 1.00 0.00 C ATOM 886 O ASN A 62 4.640 -5.199 -9.029 1.00 0.00 O ATOM 887 CB ASN A 62 4.761 -3.164 -7.119 1.00 0.00 C ATOM 888 CG ASN A 62 5.083 -1.683 -7.061 1.00 0.00 C ATOM 889 OD1 ASN A 62 4.672 -0.913 -7.928 1.00 0.00 O ATOM 890 ND2 ASN A 62 5.823 -1.279 -6.035 1.00 0.00 N ATOM 0 H ASN A 62 1.627 -2.717 -7.181 1.00 0.00 H new ATOM 0 HA ASN A 62 3.311 -2.672 -8.628 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.678 -3.555 -6.105 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.584 -3.694 -7.599 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.072 -0.294 -5.943 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.142 -1.953 -5.339 1.00 0.00 H new ATOM 897 N GLY A 63 2.432 -5.483 -8.706 1.00 0.00 N ATOM 898 CA GLY A 63 2.413 -6.775 -9.367 1.00 0.00 C ATOM 899 C GLY A 63 2.371 -7.928 -8.384 1.00 0.00 C ATOM 900 O GLY A 63 2.641 -9.074 -8.746 1.00 0.00 O ATOM 0 H GLY A 63 1.528 -5.169 -8.352 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.546 -6.831 -10.025 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.297 -6.871 -9.997 1.00 0.00 H new ATOM 904 N THR A 64 2.033 -7.627 -7.134 1.00 0.00 N ATOM 905 CA THR A 64 1.960 -8.646 -6.095 1.00 0.00 C ATOM 906 C THR A 64 0.520 -8.873 -5.648 1.00 0.00 C ATOM 907 O THR A 64 -0.091 -8.005 -5.026 1.00 0.00 O ATOM 908 CB THR A 64 2.811 -8.261 -4.869 1.00 0.00 C ATOM 909 OG1 THR A 64 4.095 -7.792 -5.293 1.00 0.00 O ATOM 910 CG2 THR A 64 2.982 -9.450 -3.935 1.00 0.00 C ATOM 0 H THR A 64 1.805 -6.685 -6.817 1.00 0.00 H new ATOM 0 HA THR A 64 2.353 -9.566 -6.527 1.00 0.00 H new ATOM 0 HB THR A 64 2.295 -7.467 -4.330 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.039 -6.839 -5.514 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.586 -9.155 -3.077 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.004 -9.787 -3.592 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.479 -10.262 -4.466 1.00 0.00 H new ATOM 918 N SER A 65 -0.016 -10.046 -5.970 1.00 0.00 N ATOM 919 CA SER A 65 -1.386 -10.387 -5.605 1.00 0.00 C ATOM 920 C SER A 65 -1.519 -10.554 -4.094 1.00 0.00 C ATOM 921 O SER A 65 -0.848 -11.391 -3.489 1.00 0.00 O ATOM 922 CB SER A 65 -1.821 -11.672 -6.312 1.00 0.00 C ATOM 923 OG SER A 65 -1.885 -11.485 -7.715 1.00 0.00 O ATOM 0 H SER A 65 0.478 -10.776 -6.483 1.00 0.00 H new ATOM 0 HA SER A 65 -2.034 -9.570 -5.922 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.120 -12.474 -6.080 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.796 -11.984 -5.939 1.00 0.00 H new ATOM 0 HG SER A 65 -2.164 -12.321 -8.144 1.00 0.00 H new ATOM 929 N LEU A 66 -2.390 -9.752 -3.491 1.00 0.00 N ATOM 930 CA LEU A 66 -2.614 -9.810 -2.051 1.00 0.00 C ATOM 931 C LEU A 66 -3.719 -10.805 -1.711 1.00 0.00 C ATOM 932 O LEU A 66 -3.831 -11.260 -0.572 1.00 0.00 O ATOM 933 CB LEU A 66 -2.977 -8.424 -1.515 1.00 0.00 C ATOM 934 CG LEU A 66 -2.092 -7.270 -1.986 1.00 0.00 C ATOM 935 CD1 LEU A 66 -2.624 -5.943 -1.467 1.00 0.00 C ATOM 936 CD2 LEU A 66 -0.654 -7.482 -1.538 1.00 0.00 C ATOM 0 H LEU A 66 -2.953 -9.054 -3.977 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.691 -10.145 -1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.007 -8.205 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.946 -8.458 -0.426 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.111 -7.245 -3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.981 -5.133 -1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.637 -5.786 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.636 -5.957 -0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.039 -6.650 -1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.616 -7.535 -0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.275 -8.413 -1.960 1.00 0.00 H new ATOM 948 N VAL A 67 -4.533 -11.141 -2.707 1.00 0.00 N ATOM 949 CA VAL A 67 -5.627 -12.085 -2.514 1.00 0.00 C ATOM 950 C VAL A 67 -5.168 -13.305 -1.724 1.00 0.00 C ATOM 951 O VAL A 67 -4.297 -14.053 -2.166 1.00 0.00 O ATOM 952 CB VAL A 67 -6.211 -12.550 -3.861 1.00 0.00 C ATOM 953 CG1 VAL A 67 -7.349 -13.535 -3.639 1.00 0.00 C ATOM 954 CG2 VAL A 67 -6.680 -11.356 -4.679 1.00 0.00 C ATOM 0 H VAL A 67 -4.455 -10.773 -3.655 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.400 -11.562 -1.952 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.426 -13.059 -4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.749 -13.852 -4.602 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.977 -14.404 -3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.137 -13.055 -3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.090 -11.703 -5.628 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.450 -10.817 -4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.837 -10.692 -4.869 1.00 0.00 H new ATOM 964 N GLY A 68 -5.761 -13.501 -0.550 1.00 0.00 N ATOM 965 CA GLY A 68 -5.400 -14.632 0.284 1.00 0.00 C ATOM 966 C GLY A 68 -4.476 -14.243 1.421 1.00 0.00 C ATOM 967 O GLY A 68 -4.617 -14.733 2.542 1.00 0.00 O ATOM 0 H GLY A 68 -6.485 -12.896 -0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.305 -15.081 0.693 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.916 -15.392 -0.329 1.00 0.00 H new ATOM 971 N LEU A 69 -3.525 -13.361 1.133 1.00 0.00 N ATOM 972 CA LEU A 69 -2.572 -12.907 2.140 1.00 0.00 C ATOM 973 C LEU A 69 -3.290 -12.237 3.307 1.00 0.00 C ATOM 974 O LEU A 69 -4.274 -11.518 3.132 1.00 0.00 O ATOM 975 CB LEU A 69 -1.568 -11.935 1.518 1.00 0.00 C ATOM 976 CG LEU A 69 -0.534 -12.550 0.574 1.00 0.00 C ATOM 977 CD1 LEU A 69 0.415 -11.482 0.053 1.00 0.00 C ATOM 978 CD2 LEU A 69 0.239 -13.656 1.278 1.00 0.00 C ATOM 0 H LEU A 69 -3.393 -12.946 0.211 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.038 -13.779 2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.122 -11.173 0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.038 -11.427 2.324 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.059 -12.985 -0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.144 -11.938 -0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.152 -10.725 -0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.934 -11.017 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.970 -14.082 0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.753 -13.244 2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.452 -14.434 1.601 1.00 0.00 H new ATOM 990 N PRO A 70 -2.787 -12.475 4.527 1.00 0.00 N ATOM 991 CA PRO A 70 -3.363 -11.901 5.747 1.00 0.00 C ATOM 992 C PRO A 70 -3.140 -10.396 5.841 1.00 0.00 C ATOM 993 O PRO A 70 -2.254 -9.847 5.185 1.00 0.00 O ATOM 994 CB PRO A 70 -2.612 -12.624 6.868 1.00 0.00 C ATOM 995 CG PRO A 70 -1.317 -13.031 6.255 1.00 0.00 C ATOM 996 CD PRO A 70 -1.616 -13.321 4.810 1.00 0.00 C ATOM 0 HA PRO A 70 -4.445 -12.031 5.787 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.456 -11.970 7.726 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.171 -13.489 7.225 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.575 -12.238 6.348 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.909 -13.910 6.753 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.773 -13.068 4.167 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.835 -14.377 4.649 1.00 0.00 H new ATOM 1004 N LEU A 71 -3.948 -9.733 6.660 1.00 0.00 N ATOM 1005 CA LEU A 71 -3.839 -8.289 6.841 1.00 0.00 C ATOM 1006 C LEU A 71 -2.449 -7.907 7.340 1.00 0.00 C ATOM 1007 O LEU A 71 -1.888 -6.893 6.927 1.00 0.00 O ATOM 1008 CB LEU A 71 -4.901 -7.797 7.826 1.00 0.00 C ATOM 1009 CG LEU A 71 -4.805 -6.327 8.236 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -5.061 -5.422 7.040 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -5.787 -6.021 9.358 1.00 0.00 C ATOM 0 H LEU A 71 -4.686 -10.172 7.210 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.001 -7.813 5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.883 -7.967 7.386 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.845 -8.409 8.726 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.796 -6.136 8.601 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.989 -4.380 7.350 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.320 -5.623 6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.058 -5.615 6.645 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.705 -4.971 9.637 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.802 -6.228 9.020 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.558 -6.645 10.222 1.00 0.00 H new ATOM 1023 N SER A 72 -1.899 -8.727 8.230 1.00 0.00 N ATOM 1024 CA SER A 72 -0.576 -8.474 8.787 1.00 0.00 C ATOM 1025 C SER A 72 0.491 -8.528 7.698 1.00 0.00 C ATOM 1026 O SER A 72 1.389 -7.686 7.648 1.00 0.00 O ATOM 1027 CB SER A 72 -0.256 -9.495 9.881 1.00 0.00 C ATOM 1028 OG SER A 72 -0.353 -10.820 9.387 1.00 0.00 O ATOM 0 H SER A 72 -2.350 -9.572 8.581 1.00 0.00 H new ATOM 0 HA SER A 72 -0.577 -7.474 9.222 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.749 -9.319 10.264 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.943 -9.364 10.717 1.00 0.00 H new ATOM 0 HG SER A 72 -0.142 -11.453 10.105 1.00 0.00 H new ATOM 1034 N THR A 73 0.388 -9.526 6.825 1.00 0.00 N ATOM 1035 CA THR A 73 1.343 -9.692 5.737 1.00 0.00 C ATOM 1036 C THR A 73 1.263 -8.531 4.753 1.00 0.00 C ATOM 1037 O THR A 73 2.226 -7.782 4.582 1.00 0.00 O ATOM 1038 CB THR A 73 1.106 -11.011 4.978 1.00 0.00 C ATOM 1039 OG1 THR A 73 1.567 -12.117 5.761 1.00 0.00 O ATOM 1040 CG2 THR A 73 1.822 -10.999 3.636 1.00 0.00 C ATOM 0 H THR A 73 -0.348 -10.232 6.851 1.00 0.00 H new ATOM 0 HA THR A 73 2.335 -9.714 6.188 1.00 0.00 H new ATOM 0 HB THR A 73 0.036 -11.115 4.800 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.411 -12.952 5.272 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.640 -11.941 3.118 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.447 -10.174 3.031 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.893 -10.874 3.796 1.00 0.00 H new ATOM 1048 N CYS A 74 0.110 -8.385 4.110 1.00 0.00 N ATOM 1049 CA CYS A 74 -0.095 -7.313 3.142 1.00 0.00 C ATOM 1050 C CYS A 74 0.493 -6.001 3.651 1.00 0.00 C ATOM 1051 O CYS A 74 1.094 -5.243 2.890 1.00 0.00 O ATOM 1052 CB CYS A 74 -1.586 -7.139 2.852 1.00 0.00 C ATOM 1053 SG CYS A 74 -2.412 -8.649 2.297 1.00 0.00 S ATOM 0 H CYS A 74 -0.697 -8.995 4.241 1.00 0.00 H new ATOM 0 HA CYS A 74 0.418 -7.586 2.220 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.081 -6.778 3.754 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.710 -6.369 2.090 1.00 0.00 H new ATOM 0 HG CYS A 74 -2.520 -9.476 3.294 1.00 0.00 H new ATOM 1059 N GLN A 75 0.313 -5.739 4.941 1.00 0.00 N ATOM 1060 CA GLN A 75 0.825 -4.517 5.551 1.00 0.00 C ATOM 1061 C GLN A 75 2.321 -4.366 5.295 1.00 0.00 C ATOM 1062 O GLN A 75 2.772 -3.343 4.781 1.00 0.00 O ATOM 1063 CB GLN A 75 0.550 -4.519 7.056 1.00 0.00 C ATOM 1064 CG GLN A 75 -0.818 -3.967 7.425 1.00 0.00 C ATOM 1065 CD GLN A 75 -0.983 -3.768 8.919 1.00 0.00 C ATOM 1066 OE1 GLN A 75 -0.049 -3.984 9.692 1.00 0.00 O ATOM 1067 NE2 GLN A 75 -2.174 -3.353 9.333 1.00 0.00 N ATOM 0 H GLN A 75 -0.183 -6.356 5.584 1.00 0.00 H new ATOM 0 HA GLN A 75 0.310 -3.671 5.096 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.634 -5.539 7.431 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.318 -3.930 7.558 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.971 -3.015 6.916 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.589 -4.648 7.066 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -2.919 -3.186 8.657 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.344 -3.201 10.327 1.00 0.00 H new ATOM 1076 N SER A 76 3.085 -5.391 5.659 1.00 0.00 N ATOM 1077 CA SER A 76 4.531 -5.370 5.472 1.00 0.00 C ATOM 1078 C SER A 76 4.888 -5.003 4.035 1.00 0.00 C ATOM 1079 O SER A 76 5.756 -4.163 3.795 1.00 0.00 O ATOM 1080 CB SER A 76 5.132 -6.731 5.828 1.00 0.00 C ATOM 1081 OG SER A 76 6.539 -6.647 5.964 1.00 0.00 O ATOM 0 H SER A 76 2.727 -6.246 6.085 1.00 0.00 H new ATOM 0 HA SER A 76 4.948 -4.612 6.136 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.695 -7.093 6.758 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.881 -7.457 5.054 1.00 0.00 H new ATOM 0 HG SER A 76 6.899 -7.529 6.193 1.00 0.00 H new ATOM 1087 N ILE A 77 4.213 -5.639 3.084 1.00 0.00 N ATOM 1088 CA ILE A 77 4.458 -5.379 1.670 1.00 0.00 C ATOM 1089 C ILE A 77 4.151 -3.928 1.317 1.00 0.00 C ATOM 1090 O ILE A 77 4.598 -3.422 0.287 1.00 0.00 O ATOM 1091 CB ILE A 77 3.614 -6.304 0.774 1.00 0.00 C ATOM 1092 CG1 ILE A 77 3.908 -7.771 1.097 1.00 0.00 C ATOM 1093 CG2 ILE A 77 3.890 -6.014 -0.694 1.00 0.00 C ATOM 1094 CD1 ILE A 77 2.820 -8.719 0.642 1.00 0.00 C ATOM 0 H ILE A 77 3.493 -6.338 3.266 1.00 0.00 H new ATOM 0 HA ILE A 77 5.515 -5.578 1.490 1.00 0.00 H new ATOM 0 HB ILE A 77 2.559 -6.113 0.971 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.848 -8.057 0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.045 -7.877 2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.286 -6.676 -1.315 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.636 -4.977 -0.914 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.946 -6.181 -0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.095 -9.741 0.903 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.882 -8.459 1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.698 -8.641 -0.438 1.00 0.00 H new ATOM 1106 N ILE A 78 3.388 -3.264 2.178 1.00 0.00 N ATOM 1107 CA ILE A 78 3.024 -1.870 1.958 1.00 0.00 C ATOM 1108 C ILE A 78 3.964 -0.931 2.707 1.00 0.00 C ATOM 1109 O ILE A 78 4.215 0.192 2.272 1.00 0.00 O ATOM 1110 CB ILE A 78 1.576 -1.590 2.400 1.00 0.00 C ATOM 1111 CG1 ILE A 78 0.601 -2.476 1.623 1.00 0.00 C ATOM 1112 CG2 ILE A 78 1.237 -0.120 2.202 1.00 0.00 C ATOM 1113 CD1 ILE A 78 -0.688 -2.752 2.364 1.00 0.00 C ATOM 0 H ILE A 78 3.010 -3.669 3.034 1.00 0.00 H new ATOM 0 HA ILE A 78 3.110 -1.687 0.887 1.00 0.00 H new ATOM 0 HB ILE A 78 1.484 -1.825 3.460 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.368 -1.998 0.671 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.088 -3.424 1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.210 0.062 2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.915 0.493 2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.343 0.139 1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.330 -3.386 1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.466 -3.258 3.303 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.198 -1.811 2.571 1.00 0.00 H new ATOM 1125 N LYS A 79 4.482 -1.401 3.837 1.00 0.00 N ATOM 1126 CA LYS A 79 5.397 -0.606 4.648 1.00 0.00 C ATOM 1127 C LYS A 79 6.803 -0.625 4.058 1.00 0.00 C ATOM 1128 O LYS A 79 7.595 0.288 4.286 1.00 0.00 O ATOM 1129 CB LYS A 79 5.428 -1.133 6.084 1.00 0.00 C ATOM 1130 CG LYS A 79 6.457 -2.228 6.308 1.00 0.00 C ATOM 1131 CD LYS A 79 6.172 -3.010 7.579 1.00 0.00 C ATOM 1132 CE LYS A 79 6.831 -2.366 8.789 1.00 0.00 C ATOM 1133 NZ LYS A 79 5.970 -1.312 9.395 1.00 0.00 N ATOM 0 H LYS A 79 4.284 -2.329 4.212 1.00 0.00 H new ATOM 0 HA LYS A 79 5.038 0.423 4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.637 -0.305 6.761 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.441 -1.515 6.343 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.459 -2.907 5.455 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.452 -1.787 6.367 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.095 -3.068 7.738 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.534 -4.032 7.467 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.047 -3.131 9.535 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.785 -1.930 8.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.228 -1.186 10.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.108 -0.416 8.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.972 -1.598 9.328 1.00 0.00 H new ATOM 1147 N GLY A 80 7.106 -1.672 3.296 1.00 0.00 N ATOM 1148 CA GLY A 80 8.417 -1.789 2.683 1.00 0.00 C ATOM 1149 C GLY A 80 8.588 -0.861 1.497 1.00 0.00 C ATOM 1150 O GLY A 80 9.625 -0.873 0.834 1.00 0.00 O ATOM 0 H GLY A 80 6.467 -2.441 3.092 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.183 -1.568 3.426 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.573 -2.818 2.360 1.00 0.00 H new ATOM 1154 N LEU A 81 7.567 -0.055 1.227 1.00 0.00 N ATOM 1155 CA LEU A 81 7.607 0.883 0.110 1.00 0.00 C ATOM 1156 C LEU A 81 8.140 2.240 0.558 1.00 0.00 C ATOM 1157 O LEU A 81 8.197 3.187 -0.227 1.00 0.00 O ATOM 1158 CB LEU A 81 6.212 1.045 -0.496 1.00 0.00 C ATOM 1159 CG LEU A 81 5.357 -0.221 -0.562 1.00 0.00 C ATOM 1160 CD1 LEU A 81 4.015 0.074 -1.213 1.00 0.00 C ATOM 1161 CD2 LEU A 81 6.089 -1.320 -1.318 1.00 0.00 C ATOM 0 H LEU A 81 6.701 -0.032 1.766 1.00 0.00 H new ATOM 0 HA LEU A 81 8.280 0.480 -0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.672 1.794 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.320 1.439 -1.506 1.00 0.00 H new ATOM 0 HG LEU A 81 5.175 -0.567 0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.421 -0.839 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.486 0.828 -0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.175 0.445 -2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.466 -2.213 -1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.302 -0.984 -2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.024 -1.551 -0.808 1.00 0.00 H new ATOM 1173 N LYS A 82 8.533 2.327 1.825 1.00 0.00 N ATOM 1174 CA LYS A 82 9.065 3.566 2.378 1.00 0.00 C ATOM 1175 C LYS A 82 10.381 3.942 1.704 1.00 0.00 C ATOM 1176 O LYS A 82 10.753 5.113 1.658 1.00 0.00 O ATOM 1177 CB LYS A 82 9.275 3.427 3.887 1.00 0.00 C ATOM 1178 CG LYS A 82 10.257 4.433 4.461 1.00 0.00 C ATOM 1179 CD LYS A 82 10.610 4.109 5.902 1.00 0.00 C ATOM 1180 CE LYS A 82 9.596 4.697 6.871 1.00 0.00 C ATOM 1181 NZ LYS A 82 10.068 4.624 8.281 1.00 0.00 N ATOM 0 H LYS A 82 8.493 1.553 2.488 1.00 0.00 H new ATOM 0 HA LYS A 82 8.341 4.358 2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.315 3.541 4.391 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.631 2.420 4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.164 4.443 3.857 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.828 5.433 4.407 1.00 0.00 H new ATOM 0 HD2 LYS A 82 10.654 3.028 6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.602 4.499 6.131 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.402 5.736 6.607 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.651 4.162 6.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.349 5.035 8.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.229 3.630 8.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.957 5.156 8.378 1.00 0.00 H new ATOM 1195 N ASN A 83 11.080 2.940 1.181 1.00 0.00 N ATOM 1196 CA ASN A 83 12.354 3.165 0.508 1.00 0.00 C ATOM 1197 C ASN A 83 12.143 3.443 -0.977 1.00 0.00 C ATOM 1198 O ASN A 83 13.100 3.498 -1.750 1.00 0.00 O ATOM 1199 CB ASN A 83 13.271 1.953 0.687 1.00 0.00 C ATOM 1200 CG ASN A 83 14.720 2.275 0.380 1.00 0.00 C ATOM 1201 OD1 ASN A 83 15.247 1.885 -0.663 1.00 0.00 O ATOM 1202 ND2 ASN A 83 15.373 2.989 1.289 1.00 0.00 N ATOM 0 H ASN A 83 10.785 1.964 1.210 1.00 0.00 H new ATOM 0 HA ASN A 83 12.826 4.038 0.959 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.192 1.589 1.711 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.935 1.147 0.035 1.00 0.00 H new ATOM 0 HD21 ASN A 83 16.351 3.236 1.138 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.897 3.291 2.139 1.00 0.00 H new ATOM 1209 N GLN A 84 10.885 3.618 -1.368 1.00 0.00 N ATOM 1210 CA GLN A 84 10.549 3.891 -2.761 1.00 0.00 C ATOM 1211 C GLN A 84 9.586 5.068 -2.868 1.00 0.00 C ATOM 1212 O GLN A 84 8.578 5.124 -2.164 1.00 0.00 O ATOM 1213 CB GLN A 84 9.932 2.651 -3.410 1.00 0.00 C ATOM 1214 CG GLN A 84 9.104 1.810 -2.452 1.00 0.00 C ATOM 1215 CD GLN A 84 8.787 0.435 -3.006 1.00 0.00 C ATOM 1216 OE1 GLN A 84 8.173 0.399 -4.183 1.00 0.00 O flip ATOM 1217 NE2 GLN A 84 9.089 -0.583 -2.383 1.00 0.00 N flip ATOM 0 H GLN A 84 10.082 3.576 -0.741 1.00 0.00 H new ATOM 0 HA GLN A 84 11.468 4.149 -3.287 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.302 2.963 -4.243 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.729 2.034 -3.826 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.643 1.703 -1.510 1.00 0.00 H new ATOM 0 HG3 GLN A 84 8.173 2.331 -2.229 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.560 -0.508 -1.482 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.868 -1.501 -2.768 1.00 0.00 H new ATOM 1226 N SER A 85 9.904 6.007 -3.754 1.00 0.00 N ATOM 1227 CA SER A 85 9.069 7.186 -3.950 1.00 0.00 C ATOM 1228 C SER A 85 7.846 6.851 -4.799 1.00 0.00 C ATOM 1229 O SER A 85 6.708 7.051 -4.375 1.00 0.00 O ATOM 1230 CB SER A 85 9.875 8.303 -4.616 1.00 0.00 C ATOM 1231 OG SER A 85 10.662 7.799 -5.681 1.00 0.00 O ATOM 0 H SER A 85 10.733 5.974 -4.347 1.00 0.00 H new ATOM 0 HA SER A 85 8.729 7.526 -2.972 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.198 9.070 -4.992 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.519 8.780 -3.878 1.00 0.00 H new ATOM 0 HG SER A 85 11.166 8.533 -6.091 1.00 0.00 H new ATOM 1237 N ARG A 86 8.091 6.339 -6.001 1.00 0.00 N ATOM 1238 CA ARG A 86 7.011 5.976 -6.911 1.00 0.00 C ATOM 1239 C ARG A 86 6.643 4.503 -6.759 1.00 0.00 C ATOM 1240 O ARG A 86 7.480 3.621 -6.949 1.00 0.00 O ATOM 1241 CB ARG A 86 7.416 6.265 -8.358 1.00 0.00 C ATOM 1242 CG ARG A 86 6.264 6.170 -9.344 1.00 0.00 C ATOM 1243 CD ARG A 86 6.685 6.606 -10.738 1.00 0.00 C ATOM 1244 NE ARG A 86 7.166 7.985 -10.757 1.00 0.00 N ATOM 1245 CZ ARG A 86 8.418 8.331 -10.479 1.00 0.00 C ATOM 1246 NH1 ARG A 86 9.310 7.404 -10.161 1.00 0.00 N ATOM 1247 NH2 ARG A 86 8.779 9.608 -10.518 1.00 0.00 N ATOM 0 H ARG A 86 9.027 6.166 -6.367 1.00 0.00 H new ATOM 0 HA ARG A 86 6.139 6.578 -6.658 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.848 7.264 -8.413 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.196 5.564 -8.655 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.897 5.144 -9.378 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.438 6.793 -9.001 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.469 5.943 -11.104 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.840 6.507 -11.420 1.00 0.00 H new ATOM 0 HE ARG A 86 6.504 8.723 -10.997 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.036 6.422 -10.129 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.271 7.672 -9.948 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.095 10.324 -10.762 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.741 9.873 -10.304 1.00 0.00 H new ATOM 1261 N VAL A 87 5.386 4.246 -6.413 1.00 0.00 N ATOM 1262 CA VAL A 87 4.906 2.880 -6.235 1.00 0.00 C ATOM 1263 C VAL A 87 3.614 2.646 -7.010 1.00 0.00 C ATOM 1264 O VAL A 87 2.713 3.484 -7.003 1.00 0.00 O ATOM 1265 CB VAL A 87 4.666 2.559 -4.748 1.00 0.00 C ATOM 1266 CG1 VAL A 87 4.172 1.130 -4.583 1.00 0.00 C ATOM 1267 CG2 VAL A 87 5.935 2.790 -3.942 1.00 0.00 C ATOM 0 H VAL A 87 4.681 4.965 -6.250 1.00 0.00 H new ATOM 0 HA VAL A 87 5.682 2.219 -6.621 1.00 0.00 H new ATOM 0 HB VAL A 87 3.895 3.230 -4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.008 0.922 -3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.236 1.003 -5.127 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.917 0.440 -4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.747 2.558 -2.894 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.728 2.145 -4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.240 3.832 -4.034 1.00 0.00 H new ATOM 1277 N LYS A 88 3.530 1.500 -7.676 1.00 0.00 N ATOM 1278 CA LYS A 88 2.348 1.152 -8.456 1.00 0.00 C ATOM 1279 C LYS A 88 1.472 0.158 -7.701 1.00 0.00 C ATOM 1280 O LYS A 88 1.957 -0.859 -7.203 1.00 0.00 O ATOM 1281 CB LYS A 88 2.757 0.564 -9.807 1.00 0.00 C ATOM 1282 CG LYS A 88 1.594 -0.010 -10.599 1.00 0.00 C ATOM 1283 CD LYS A 88 2.056 -0.595 -11.923 1.00 0.00 C ATOM 1284 CE LYS A 88 1.046 -1.590 -12.474 1.00 0.00 C ATOM 1285 NZ LYS A 88 1.096 -1.665 -13.961 1.00 0.00 N ATOM 0 H LYS A 88 4.267 0.795 -7.691 1.00 0.00 H new ATOM 0 HA LYS A 88 1.773 2.063 -8.623 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.241 1.340 -10.400 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.496 -0.220 -9.644 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.099 -0.783 -10.012 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.857 0.772 -10.783 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.208 0.208 -12.644 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.019 -1.088 -11.788 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.242 -2.577 -12.054 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.043 -1.302 -12.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.393 -2.354 -14.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.884 -0.730 -14.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.045 -1.964 -14.262 1.00 0.00 H new ATOM 1299 N LEU A 89 0.180 0.457 -7.620 1.00 0.00 N ATOM 1300 CA LEU A 89 -0.765 -0.412 -6.927 1.00 0.00 C ATOM 1301 C LEU A 89 -2.123 -0.403 -7.620 1.00 0.00 C ATOM 1302 O LEU A 89 -2.577 0.633 -8.102 1.00 0.00 O ATOM 1303 CB LEU A 89 -0.920 0.029 -5.470 1.00 0.00 C ATOM 1304 CG LEU A 89 0.302 0.697 -4.837 1.00 0.00 C ATOM 1305 CD1 LEU A 89 -0.127 1.692 -3.770 1.00 0.00 C ATOM 1306 CD2 LEU A 89 1.237 -0.350 -4.249 1.00 0.00 C ATOM 0 H LEU A 89 -0.237 1.295 -8.026 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.372 -1.428 -6.953 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.760 0.721 -5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.182 -0.844 -4.873 1.00 0.00 H new ATOM 0 HG LEU A 89 0.840 1.239 -5.614 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.755 2.157 -3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.756 2.460 -4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.688 1.173 -2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.101 0.143 -3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.710 -0.920 -3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.571 -1.024 -5.038 1.00 0.00 H new ATOM 1318 N ASN A 90 -2.767 -1.565 -7.664 1.00 0.00 N ATOM 1319 CA ASN A 90 -4.075 -1.690 -8.297 1.00 0.00 C ATOM 1320 C ASN A 90 -5.193 -1.545 -7.269 1.00 0.00 C ATOM 1321 O ASN A 90 -5.264 -2.306 -6.303 1.00 0.00 O ATOM 1322 CB ASN A 90 -4.194 -3.039 -9.008 1.00 0.00 C ATOM 1323 CG ASN A 90 -5.209 -3.012 -10.134 1.00 0.00 C ATOM 1324 OD1 ASN A 90 -6.137 -2.063 -10.071 1.00 0.00 O flip ATOM 1325 ND2 ASN A 90 -5.160 -3.834 -11.049 1.00 0.00 N flip ATOM 0 H ASN A 90 -2.405 -2.433 -7.269 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.173 -0.890 -9.031 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.220 -3.323 -9.407 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.478 -3.804 -8.285 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.429 -4.546 -11.057 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -5.850 -3.803 -11.800 1.00 0.00 H new ATOM 1332 N ILE A 91 -6.064 -0.564 -7.484 1.00 0.00 N ATOM 1333 CA ILE A 91 -7.179 -0.321 -6.577 1.00 0.00 C ATOM 1334 C ILE A 91 -8.507 -0.695 -7.226 1.00 0.00 C ATOM 1335 O ILE A 91 -8.665 -0.597 -8.443 1.00 0.00 O ATOM 1336 CB ILE A 91 -7.234 1.153 -6.135 1.00 0.00 C ATOM 1337 CG1 ILE A 91 -5.877 1.593 -5.580 1.00 0.00 C ATOM 1338 CG2 ILE A 91 -8.327 1.355 -5.097 1.00 0.00 C ATOM 1339 CD1 ILE A 91 -5.520 0.934 -4.267 1.00 0.00 C ATOM 0 H ILE A 91 -6.019 0.075 -8.278 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.016 -0.949 -5.701 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.467 1.768 -7.004 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.103 1.367 -6.313 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.882 2.675 -5.445 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.353 2.402 -4.795 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.290 1.077 -5.524 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.122 0.731 -4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.546 1.292 -3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.274 1.181 -3.519 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.482 -0.147 -4.401 1.00 0.00 H new ATOM 1351 N VAL A 92 -9.461 -1.124 -6.405 1.00 0.00 N ATOM 1352 CA VAL A 92 -10.777 -1.510 -6.899 1.00 0.00 C ATOM 1353 C VAL A 92 -11.867 -1.154 -5.894 1.00 0.00 C ATOM 1354 O VAL A 92 -11.967 -1.763 -4.829 1.00 0.00 O ATOM 1355 CB VAL A 92 -10.844 -3.019 -7.198 1.00 0.00 C ATOM 1356 CG1 VAL A 92 -12.252 -3.421 -7.610 1.00 0.00 C ATOM 1357 CG2 VAL A 92 -9.837 -3.393 -8.276 1.00 0.00 C ATOM 0 H VAL A 92 -9.347 -1.213 -5.395 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.943 -0.956 -7.823 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.589 -3.563 -6.289 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -12.279 -4.491 -7.817 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.947 -3.190 -6.803 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.540 -2.871 -8.506 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -9.898 -4.463 -8.475 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -10.059 -2.841 -9.189 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.832 -3.143 -7.937 1.00 0.00 H new ATOM 1367 N SER A 93 -12.683 -0.163 -6.240 1.00 0.00 N ATOM 1368 CA SER A 93 -13.764 0.277 -5.367 1.00 0.00 C ATOM 1369 C SER A 93 -14.411 -0.911 -4.661 1.00 0.00 C ATOM 1370 O SER A 93 -15.023 -1.767 -5.298 1.00 0.00 O ATOM 1371 CB SER A 93 -14.818 1.042 -6.171 1.00 0.00 C ATOM 1372 OG SER A 93 -15.830 0.171 -6.644 1.00 0.00 O ATOM 0 H SER A 93 -12.616 0.350 -7.119 1.00 0.00 H new ATOM 0 HA SER A 93 -13.341 0.940 -4.612 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.263 1.817 -5.548 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.343 1.544 -7.014 1.00 0.00 H new ATOM 0 HG SER A 93 -15.482 -0.744 -6.683 1.00 0.00 H new ATOM 1378 N GLY A 94 -14.269 -0.955 -3.340 1.00 0.00 N ATOM 1379 CA GLY A 94 -14.844 -2.042 -2.569 1.00 0.00 C ATOM 1380 C GLY A 94 -16.359 -2.011 -2.563 1.00 0.00 C ATOM 1381 O GLY A 94 -16.992 -1.378 -3.409 1.00 0.00 O ATOM 0 H GLY A 94 -13.767 -0.258 -2.790 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.505 -2.993 -2.979 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.479 -1.989 -1.543 1.00 0.00 H new