USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 824 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 98 ASN : amide:sc= 0.216 K(o=0.22,f=-2.7!) USER MOD Set 1.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 94 ASN : amide:sc= 0.0039 K(o=-0.028,f=-0.74) USER MOD Set 2.2: A 96 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 97 ASN : amide:sc= -0.0316 K(o=-0.028,f=-1.7) USER MOD Set 3.1: A 76 ASN : amide:sc= 0.174 K(o=0.46,f=-2.8!) USER MOD Set 3.2: A 106 THR OG1 : rot -149:sc= 0.284 USER MOD Set 4.1: A 39 ASN : amide:sc= -0.935! C(o=-0.94!,f=-4!) USER MOD Set 4.2: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 26 THR OG1 : rot -72:sc= 1.17 USER MOD Set 5.2: A 64 ASN : amide:sc= 0.967 K(o=2.1,f=-2.1) USER MOD Single : A 1 MET CE :methyl 169:sc= 0 (180deg=-0.171) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -2.63! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0649 X(o=-0.065,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 21 ASN : amide:sc= 1.32 K(o=1.3,f=-4.1!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -119:sc= -1.27 (180deg=-5.58!) USER MOD Single : A 24 THR OG1 : rot -76:sc= 1.26 USER MOD Single : A 29 ASN : amide:sc= 0.85 K(o=0.85,f=-2.9!) USER MOD Single : A 30 GLN : amide:sc= 1.17 K(o=1.2,f=-1.1) USER MOD Single : A 32 ASN : amide:sc= -1.66! K(o=-1.7!,f=-0.018) USER MOD Single : A 33 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0732) USER MOD Single : A 35 SER OG : rot 0:sc= -1.44! USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -17:sc= 1.01 USER MOD Single : A 41 SER OG : rot 160:sc= -0.676 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0823 USER MOD Single : A 52 GLN : amide:sc= -0.699 X(o=-0.7,f=-0.59) 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 SER OG : rot -141:sc= 0.965 USER MOD Single : A 61 ASN : amide:sc= -0.898 K(o=-0.9,f=-6.4!) USER MOD Single : A 62 SER OG : rot -131:sc= 1.23 USER MOD Single : A 63 THR OG1 : rot 176:sc= -1.45 USER MOD Single : A 68 HIS : no HD1:sc= -0.163 K(o=-0.16,f=-2.2) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -45:sc= 1.28 USER MOD Single : A 77 SER OG : rot 180:sc=-0.00836 USER MOD Single : A 78 TYR OH : rot 180:sc= 0.557 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.0287 X(o=-0.029,f=0) USER MOD Single : A 88 ASN : amide:sc= 0.241 X(o=0.24,f=0.039) USER MOD Single : A 91 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 HIS : no HE2:sc= 0.372 K(o=0.37,f=-1.2) USER MOD Single : A 110 HIS : no HD1:sc= -0.0113 X(o=-0.011,f=-0.0064) USER MOD Single : A 111 HIS : no HD1:sc= -0.18 X(o=-0.18,f=-0.016) USER MOD Single : A 112 HIS : no HD1:sc= -0.129 K(o=-0.13,f=-1.3) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.659 15.113 -7.687 1.00 0.00 N ATOM 2 CA MET A 1 -14.203 14.931 -7.887 1.00 0.00 C ATOM 3 C MET A 1 -13.614 14.228 -6.674 1.00 0.00 C ATOM 4 O MET A 1 -13.407 14.842 -5.629 1.00 0.00 O ATOM 5 CB MET A 1 -13.533 16.292 -8.106 1.00 0.00 C ATOM 6 CG MET A 1 -12.105 16.210 -8.619 1.00 0.00 C ATOM 7 SD MET A 1 -11.401 17.841 -8.951 1.00 0.00 S ATOM 8 CE MET A 1 -9.780 17.398 -9.574 1.00 0.00 C ATOM 0 H1 MET A 1 -16.066 15.594 -8.515 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.112 14.184 -7.569 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.823 15.689 -6.837 1.00 0.00 H new ATOM 0 HA MET A 1 -14.025 14.318 -8.770 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.129 16.867 -8.814 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.538 16.842 -7.165 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.487 15.692 -7.885 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.083 15.614 -9.532 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.302 18.279 -10.003 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.169 17.014 -8.757 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.882 16.631 -10.342 1.00 0.00 H new ATOM 20 N ILE A 2 -13.359 12.937 -6.819 1.00 0.00 N ATOM 21 CA ILE A 2 -12.958 12.095 -5.700 1.00 0.00 C ATOM 22 C ILE A 2 -11.709 11.276 -6.069 1.00 0.00 C ATOM 23 O ILE A 2 -11.491 10.973 -7.244 1.00 0.00 O ATOM 24 CB ILE A 2 -14.138 11.159 -5.316 1.00 0.00 C ATOM 25 CG1 ILE A 2 -13.940 10.543 -3.931 1.00 0.00 C ATOM 26 CG2 ILE A 2 -14.318 10.064 -6.362 1.00 0.00 C ATOM 27 CD1 ILE A 2 -15.156 9.799 -3.424 1.00 0.00 C ATOM 0 H ILE A 2 -13.423 12.444 -7.710 1.00 0.00 H new ATOM 0 HA ILE A 2 -12.708 12.721 -4.844 1.00 0.00 H new ATOM 0 HB ILE A 2 -15.042 11.767 -5.284 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -13.092 9.859 -3.964 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -13.685 11.332 -3.224 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -15.149 9.419 -6.075 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -14.528 10.517 -7.331 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -13.406 9.471 -6.429 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -14.945 9.388 -2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -16.001 10.484 -3.359 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -15.399 8.988 -4.111 1.00 0.00 H new ATOM 39 N PRO A 3 -10.835 10.967 -5.094 1.00 0.00 N ATOM 40 CA PRO A 3 -9.664 10.111 -5.322 1.00 0.00 C ATOM 41 C PRO A 3 -10.043 8.643 -5.528 1.00 0.00 C ATOM 42 O PRO A 3 -11.167 8.232 -5.238 1.00 0.00 O ATOM 43 CB PRO A 3 -8.834 10.264 -4.036 1.00 0.00 C ATOM 44 CG PRO A 3 -9.445 11.405 -3.292 1.00 0.00 C ATOM 45 CD PRO A 3 -10.884 11.449 -3.708 1.00 0.00 C ATOM 0 HA PRO A 3 -9.130 10.403 -6.226 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.861 9.350 -3.442 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.788 10.463 -4.267 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.355 11.261 -2.215 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.941 12.341 -3.532 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.507 10.812 -3.080 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.293 12.457 -3.644 1.00 0.00 H new ATOM 53 N ASP A 4 -9.097 7.865 -6.038 1.00 0.00 N ATOM 54 CA ASP A 4 -9.282 6.430 -6.235 1.00 0.00 C ATOM 55 C ASP A 4 -7.923 5.755 -6.093 1.00 0.00 C ATOM 56 O ASP A 4 -7.162 5.659 -7.055 1.00 0.00 O ATOM 57 CB ASP A 4 -9.895 6.152 -7.618 1.00 0.00 C ATOM 58 CG ASP A 4 -10.530 4.773 -7.743 1.00 0.00 C ATOM 59 OD1 ASP A 4 -9.799 3.785 -7.952 1.00 0.00 O ATOM 60 OD2 ASP A 4 -11.778 4.680 -7.686 1.00 0.00 O ATOM 0 H ASP A 4 -8.181 8.208 -6.327 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.970 6.031 -5.490 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.649 6.910 -7.830 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -9.119 6.254 -8.376 1.00 0.00 H new ATOM 65 N LEU A 5 -7.604 5.339 -4.876 1.00 0.00 N ATOM 66 CA LEU A 5 -6.257 4.900 -4.543 1.00 0.00 C ATOM 67 C LEU A 5 -6.052 3.437 -4.901 1.00 0.00 C ATOM 68 O LEU A 5 -6.716 2.553 -4.367 1.00 0.00 O ATOM 69 CB LEU A 5 -5.991 5.134 -3.055 1.00 0.00 C ATOM 70 CG LEU A 5 -6.124 6.592 -2.607 1.00 0.00 C ATOM 71 CD1 LEU A 5 -6.075 6.703 -1.092 1.00 0.00 C ATOM 72 CD2 LEU A 5 -5.030 7.434 -3.233 1.00 0.00 C ATOM 0 H LEU A 5 -8.264 5.296 -4.099 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.547 5.485 -5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.684 4.524 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.986 4.785 -2.820 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.092 6.965 -2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.172 7.749 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.893 6.128 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.125 6.311 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.135 8.469 -2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.056 7.054 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.110 7.386 -4.319 1.00 0.00 H new ATOM 84 N VAL A 6 -5.125 3.187 -5.812 1.00 0.00 N ATOM 85 CA VAL A 6 -4.891 1.841 -6.297 1.00 0.00 C ATOM 86 C VAL A 6 -3.454 1.401 -6.027 1.00 0.00 C ATOM 87 O VAL A 6 -2.512 1.942 -6.608 1.00 0.00 O ATOM 88 CB VAL A 6 -5.171 1.738 -7.813 1.00 0.00 C ATOM 89 CG1 VAL A 6 -5.113 0.287 -8.274 1.00 0.00 C ATOM 90 CG2 VAL A 6 -6.517 2.362 -8.157 1.00 0.00 C ATOM 0 H VAL A 6 -4.525 3.899 -6.228 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.576 1.185 -5.760 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.396 2.293 -8.341 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.313 0.237 -9.344 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.123 -0.120 -8.071 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.862 -0.295 -7.737 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.693 2.278 -9.229 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.308 1.841 -7.617 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.514 3.414 -7.871 1.00 0.00 H new ATOM 100 N PRO A 7 -3.266 0.447 -5.107 1.00 0.00 N ATOM 101 CA PRO A 7 -1.978 -0.217 -4.920 1.00 0.00 C ATOM 102 C PRO A 7 -1.593 -1.001 -6.171 1.00 0.00 C ATOM 103 O PRO A 7 -2.225 -1.999 -6.517 1.00 0.00 O ATOM 104 CB PRO A 7 -2.212 -1.151 -3.728 1.00 0.00 C ATOM 105 CG PRO A 7 -3.690 -1.307 -3.633 1.00 0.00 C ATOM 106 CD PRO A 7 -4.284 -0.035 -4.164 1.00 0.00 C ATOM 0 HA PRO A 7 -1.161 0.482 -4.742 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.724 -2.114 -3.881 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.802 -0.728 -2.811 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.028 -2.166 -4.213 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.997 -1.478 -2.601 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.239 -0.213 -4.659 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.468 0.686 -3.368 1.00 0.00 H new ATOM 114 N VAL A 8 -0.559 -0.533 -6.845 1.00 0.00 N ATOM 115 CA VAL A 8 -0.207 -1.029 -8.168 1.00 0.00 C ATOM 116 C VAL A 8 0.679 -2.266 -8.082 1.00 0.00 C ATOM 117 O VAL A 8 0.415 -3.275 -8.734 1.00 0.00 O ATOM 118 CB VAL A 8 0.523 0.060 -8.984 1.00 0.00 C ATOM 119 CG1 VAL A 8 0.582 -0.302 -10.458 1.00 0.00 C ATOM 120 CG2 VAL A 8 -0.147 1.407 -8.798 1.00 0.00 C ATOM 0 H VAL A 8 0.060 0.198 -6.495 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.138 -1.297 -8.668 1.00 0.00 H new ATOM 0 HB VAL A 8 1.545 0.124 -8.611 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.102 0.484 -11.005 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.117 -1.244 -10.580 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.431 -0.407 -10.848 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.383 2.160 -9.381 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.182 1.348 -9.135 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.124 1.682 -7.744 1.00 0.00 H new ATOM 130 N SER A 9 1.724 -2.190 -7.270 1.00 0.00 N ATOM 131 CA SER A 9 2.694 -3.267 -7.198 1.00 0.00 C ATOM 132 C SER A 9 3.308 -3.361 -5.804 1.00 0.00 C ATOM 133 O SER A 9 3.298 -2.392 -5.040 1.00 0.00 O ATOM 134 CB SER A 9 3.789 -3.044 -8.247 1.00 0.00 C ATOM 135 OG SER A 9 4.643 -4.170 -8.358 1.00 0.00 O ATOM 0 H SER A 9 1.919 -1.399 -6.657 1.00 0.00 H new ATOM 0 HA SER A 9 2.183 -4.208 -7.402 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.330 -2.838 -9.214 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.377 -2.166 -7.979 1.00 0.00 H new ATOM 0 HG SER A 9 5.328 -3.995 -9.036 1.00 0.00 H new ATOM 141 N LEU A 10 3.829 -4.539 -5.491 1.00 0.00 N ATOM 142 CA LEU A 10 4.490 -4.799 -4.221 1.00 0.00 C ATOM 143 C LEU A 10 5.777 -5.573 -4.475 1.00 0.00 C ATOM 144 O LEU A 10 5.742 -6.725 -4.906 1.00 0.00 O ATOM 145 CB LEU A 10 3.565 -5.598 -3.294 1.00 0.00 C ATOM 146 CG LEU A 10 4.193 -6.068 -1.979 1.00 0.00 C ATOM 147 CD1 LEU A 10 4.550 -4.887 -1.092 1.00 0.00 C ATOM 148 CD2 LEU A 10 3.251 -7.011 -1.251 1.00 0.00 C ATOM 0 H LEU A 10 3.805 -5.346 -6.115 1.00 0.00 H new ATOM 0 HA LEU A 10 4.726 -3.852 -3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.695 -4.984 -3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.203 -6.472 -3.836 1.00 0.00 H new ATOM 0 HG LEU A 10 5.113 -6.604 -2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.994 -5.249 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.263 -4.246 -1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.649 -4.318 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.711 -7.337 -0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.316 -6.495 -1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.049 -7.879 -1.878 1.00 0.00 H new ATOM 160 N THR A 11 6.909 -4.934 -4.232 1.00 0.00 N ATOM 161 CA THR A 11 8.196 -5.549 -4.509 1.00 0.00 C ATOM 162 C THR A 11 9.130 -5.417 -3.300 1.00 0.00 C ATOM 163 O THR A 11 9.049 -4.445 -2.549 1.00 0.00 O ATOM 164 CB THR A 11 8.842 -4.917 -5.768 1.00 0.00 C ATOM 165 OG1 THR A 11 9.984 -5.674 -6.183 1.00 0.00 O ATOM 166 CG2 THR A 11 9.257 -3.476 -5.513 1.00 0.00 C ATOM 0 H THR A 11 6.963 -3.992 -3.844 1.00 0.00 H new ATOM 0 HA THR A 11 8.034 -6.610 -4.702 1.00 0.00 H new ATOM 0 HB THR A 11 8.092 -4.929 -6.559 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.378 -5.261 -6.980 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.707 -3.062 -6.415 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.381 -2.888 -5.241 1.00 0.00 H new ATOM 0 HG23 THR A 11 9.982 -3.445 -4.699 1.00 0.00 H new ATOM 174 N PRO A 12 10.023 -6.394 -3.083 1.00 0.00 N ATOM 175 CA PRO A 12 10.166 -7.559 -3.952 1.00 0.00 C ATOM 176 C PRO A 12 9.091 -8.610 -3.698 1.00 0.00 C ATOM 177 O PRO A 12 8.604 -8.756 -2.579 1.00 0.00 O ATOM 178 CB PRO A 12 11.555 -8.119 -3.599 1.00 0.00 C ATOM 179 CG PRO A 12 12.133 -7.190 -2.577 1.00 0.00 C ATOM 180 CD PRO A 12 10.977 -6.444 -1.976 1.00 0.00 C ATOM 0 HA PRO A 12 10.060 -7.288 -5.002 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.477 -9.132 -3.204 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.191 -8.169 -4.483 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.676 -7.745 -1.812 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.842 -6.501 -3.036 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.566 -6.962 -1.109 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.266 -5.447 -1.644 1.00 0.00 H new ATOM 188 N VAL A 13 8.722 -9.331 -4.748 1.00 0.00 N ATOM 189 CA VAL A 13 7.744 -10.414 -4.637 1.00 0.00 C ATOM 190 C VAL A 13 8.344 -11.621 -3.914 1.00 0.00 C ATOM 191 O VAL A 13 7.660 -12.609 -3.643 1.00 0.00 O ATOM 192 CB VAL A 13 7.220 -10.854 -6.021 1.00 0.00 C ATOM 193 CG1 VAL A 13 6.472 -9.713 -6.695 1.00 0.00 C ATOM 194 CG2 VAL A 13 8.360 -11.342 -6.905 1.00 0.00 C ATOM 0 H VAL A 13 9.084 -9.188 -5.691 1.00 0.00 H new ATOM 0 HA VAL A 13 6.907 -10.026 -4.057 1.00 0.00 H new ATOM 0 HB VAL A 13 6.528 -11.683 -5.874 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.110 -10.041 -7.669 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.626 -9.416 -6.075 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.143 -8.864 -6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.964 -11.646 -7.874 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.082 -10.538 -7.044 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.850 -12.192 -6.430 1.00 0.00 H new ATOM 204 N THR A 14 9.633 -11.536 -3.633 1.00 0.00 N ATOM 205 CA THR A 14 10.331 -12.539 -2.873 1.00 0.00 C ATOM 206 C THR A 14 11.092 -11.882 -1.724 1.00 0.00 C ATOM 207 O THR A 14 11.771 -10.874 -1.919 1.00 0.00 O ATOM 208 CB THR A 14 11.300 -13.307 -3.776 1.00 0.00 C ATOM 209 OG1 THR A 14 11.805 -12.435 -4.797 1.00 0.00 O ATOM 210 CG2 THR A 14 10.622 -14.513 -4.412 1.00 0.00 C ATOM 0 H THR A 14 10.223 -10.759 -3.932 1.00 0.00 H new ATOM 0 HA THR A 14 9.605 -13.241 -2.463 1.00 0.00 H new ATOM 0 HB THR A 14 12.126 -13.668 -3.163 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.426 -12.929 -5.372 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.335 -15.038 -5.047 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.268 -15.186 -3.631 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.777 -14.180 -5.014 1.00 0.00 H new ATOM 218 N VAL A 15 10.967 -12.444 -0.532 1.00 0.00 N ATOM 219 CA VAL A 15 11.553 -11.849 0.661 1.00 0.00 C ATOM 220 C VAL A 15 12.475 -12.830 1.370 1.00 0.00 C ATOM 221 O VAL A 15 12.340 -14.044 1.217 1.00 0.00 O ATOM 222 CB VAL A 15 10.462 -11.384 1.648 1.00 0.00 C ATOM 223 CG1 VAL A 15 9.726 -10.173 1.103 1.00 0.00 C ATOM 224 CG2 VAL A 15 9.482 -12.513 1.933 1.00 0.00 C ATOM 0 H VAL A 15 10.463 -13.315 -0.364 1.00 0.00 H new ATOM 0 HA VAL A 15 12.131 -10.986 0.332 1.00 0.00 H new ATOM 0 HB VAL A 15 10.947 -11.101 2.582 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.961 -9.862 1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.432 -9.357 0.949 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.256 -10.430 0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.720 -12.166 2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.007 -12.826 1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.016 -13.357 2.369 1.00 0.00 H new ATOM 234 N VAL A 16 13.413 -12.306 2.140 1.00 0.00 N ATOM 235 CA VAL A 16 14.314 -13.139 2.903 1.00 0.00 C ATOM 236 C VAL A 16 13.893 -13.194 4.365 1.00 0.00 C ATOM 237 O VAL A 16 13.563 -12.174 4.969 1.00 0.00 O ATOM 238 CB VAL A 16 15.769 -12.644 2.804 1.00 0.00 C ATOM 239 CG1 VAL A 16 16.408 -13.124 1.513 1.00 0.00 C ATOM 240 CG2 VAL A 16 15.839 -11.126 2.891 1.00 0.00 C ATOM 0 H VAL A 16 13.567 -11.304 2.251 1.00 0.00 H new ATOM 0 HA VAL A 16 14.262 -14.140 2.475 1.00 0.00 H new ATOM 0 HB VAL A 16 16.321 -13.060 3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 16 17.436 -12.765 1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 16 16.403 -14.214 1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 16 15.845 -12.739 0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 16 16.878 -10.805 2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 16 15.266 -10.688 2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 16 15.423 -10.797 3.843 1.00 0.00 H new ATOM 250 N PRO A 17 13.874 -14.395 4.946 1.00 0.00 N ATOM 251 CA PRO A 17 13.515 -14.580 6.347 1.00 0.00 C ATOM 252 C PRO A 17 14.672 -14.248 7.287 1.00 0.00 C ATOM 253 O PRO A 17 15.788 -13.984 6.835 1.00 0.00 O ATOM 254 CB PRO A 17 13.176 -16.066 6.413 1.00 0.00 C ATOM 255 CG PRO A 17 14.041 -16.694 5.377 1.00 0.00 C ATOM 256 CD PRO A 17 14.196 -15.673 4.282 1.00 0.00 C ATOM 0 HA PRO A 17 12.702 -13.925 6.661 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.381 -16.476 7.402 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.120 -16.241 6.207 1.00 0.00 H new ATOM 0 HG2 PRO A 17 15.010 -16.968 5.793 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.588 -17.609 4.995 1.00 0.00 H new ATOM 0 HD2 PRO A 17 15.208 -15.670 3.878 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.521 -15.873 3.450 1.00 0.00 H new ATOM 264 N ASN A 18 14.394 -14.271 8.591 1.00 0.00 N ATOM 265 CA ASN A 18 15.409 -14.030 9.625 1.00 0.00 C ATOM 266 C ASN A 18 15.978 -12.615 9.526 1.00 0.00 C ATOM 267 O ASN A 18 17.121 -12.370 9.914 1.00 0.00 O ATOM 268 CB ASN A 18 16.560 -15.049 9.524 1.00 0.00 C ATOM 269 CG ASN A 18 16.089 -16.490 9.482 1.00 0.00 C ATOM 270 OD1 ASN A 18 15.843 -17.108 10.518 1.00 0.00 O ATOM 271 ND2 ASN A 18 15.991 -17.043 8.282 1.00 0.00 N ATOM 0 H ASN A 18 13.462 -14.456 8.963 1.00 0.00 H new ATOM 0 HA ASN A 18 14.914 -14.146 10.589 1.00 0.00 H new ATOM 0 HB2 ASN A 18 17.143 -14.839 8.627 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.227 -14.918 10.376 1.00 0.00 H new ATOM 0 HD21 ASN A 18 15.702 -18.017 8.191 1.00 0.00 H new ATOM 0 HD22 ASN A 18 16.204 -16.495 7.449 1.00 0.00 H new ATOM 278 N THR A 19 15.175 -11.680 9.030 1.00 0.00 N ATOM 279 CA THR A 19 15.627 -10.309 8.845 1.00 0.00 C ATOM 280 C THR A 19 14.448 -9.394 8.513 1.00 0.00 C ATOM 281 O THR A 19 13.331 -9.864 8.276 1.00 0.00 O ATOM 282 CB THR A 19 16.696 -10.223 7.726 1.00 0.00 C ATOM 283 OG1 THR A 19 17.276 -8.910 7.669 1.00 0.00 O ATOM 284 CG2 THR A 19 16.099 -10.574 6.373 1.00 0.00 C ATOM 0 H THR A 19 14.209 -11.848 8.750 1.00 0.00 H new ATOM 0 HA THR A 19 16.078 -9.977 9.780 1.00 0.00 H new ATOM 0 HB THR A 19 17.477 -10.945 7.965 1.00 0.00 H new ATOM 0 HG1 THR A 19 17.949 -8.880 6.957 1.00 0.00 H new ATOM 0 HG21 THR A 19 16.871 -10.506 5.606 1.00 0.00 H new ATOM 0 HG22 THR A 19 15.705 -11.590 6.402 1.00 0.00 H new ATOM 0 HG23 THR A 19 15.293 -9.879 6.140 1.00 0.00 H new ATOM 292 N VAL A 20 14.694 -8.090 8.512 1.00 0.00 N ATOM 293 CA VAL A 20 13.666 -7.116 8.178 1.00 0.00 C ATOM 294 C VAL A 20 13.692 -6.807 6.685 1.00 0.00 C ATOM 295 O VAL A 20 14.748 -6.520 6.117 1.00 0.00 O ATOM 296 CB VAL A 20 13.837 -5.806 8.978 1.00 0.00 C ATOM 297 CG1 VAL A 20 12.746 -4.804 8.621 1.00 0.00 C ATOM 298 CG2 VAL A 20 13.831 -6.089 10.471 1.00 0.00 C ATOM 0 H VAL A 20 15.601 -7.683 8.740 1.00 0.00 H new ATOM 0 HA VAL A 20 12.705 -7.555 8.445 1.00 0.00 H new ATOM 0 HB VAL A 20 14.799 -5.369 8.711 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.889 -3.890 9.198 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.798 -4.574 7.557 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.770 -5.231 8.853 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.953 -5.155 11.019 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.885 -6.553 10.750 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.651 -6.763 10.717 1.00 0.00 H new ATOM 308 N ASN A 21 12.530 -6.879 6.055 1.00 0.00 N ATOM 309 CA ASN A 21 12.409 -6.610 4.630 1.00 0.00 C ATOM 310 C ASN A 21 11.731 -5.269 4.394 1.00 0.00 C ATOM 311 O ASN A 21 10.575 -5.071 4.770 1.00 0.00 O ATOM 312 CB ASN A 21 11.613 -7.719 3.933 1.00 0.00 C ATOM 313 CG ASN A 21 12.352 -9.043 3.909 1.00 0.00 C ATOM 314 OD1 ASN A 21 13.090 -9.341 2.969 1.00 0.00 O ATOM 315 ND2 ASN A 21 12.160 -9.851 4.939 1.00 0.00 N ATOM 0 H ASN A 21 11.651 -7.123 6.512 1.00 0.00 H new ATOM 0 HA ASN A 21 13.414 -6.579 4.209 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.658 -7.850 4.442 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.390 -7.413 2.911 1.00 0.00 H new ATOM 0 HD21 ASN A 21 12.631 -10.755 4.973 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.541 -9.570 5.699 1.00 0.00 H new ATOM 322 N THR A 22 12.460 -4.343 3.798 1.00 0.00 N ATOM 323 CA THR A 22 11.898 -3.061 3.421 1.00 0.00 C ATOM 324 C THR A 22 11.235 -3.185 2.054 1.00 0.00 C ATOM 325 O THR A 22 11.892 -3.069 1.015 1.00 0.00 O ATOM 326 CB THR A 22 12.981 -1.964 3.388 1.00 0.00 C ATOM 327 OG1 THR A 22 13.784 -2.037 4.576 1.00 0.00 O ATOM 328 CG2 THR A 22 12.352 -0.583 3.285 1.00 0.00 C ATOM 0 H THR A 22 13.446 -4.457 3.564 1.00 0.00 H new ATOM 0 HA THR A 22 11.156 -2.773 4.166 1.00 0.00 H new ATOM 0 HB THR A 22 13.606 -2.128 2.510 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.472 -1.339 4.549 1.00 0.00 H new ATOM 0 HG21 THR A 22 13.137 0.173 3.263 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.761 -0.519 2.371 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.707 -0.412 4.147 1.00 0.00 H new ATOM 336 N MET A 23 9.937 -3.460 2.061 1.00 0.00 N ATOM 337 CA MET A 23 9.207 -3.728 0.830 1.00 0.00 C ATOM 338 C MET A 23 8.543 -2.470 0.303 1.00 0.00 C ATOM 339 O MET A 23 8.130 -1.607 1.069 1.00 0.00 O ATOM 340 CB MET A 23 8.158 -4.812 1.051 1.00 0.00 C ATOM 341 CG MET A 23 8.748 -6.150 1.453 1.00 0.00 C ATOM 342 SD MET A 23 7.506 -7.444 1.545 1.00 0.00 S ATOM 343 CE MET A 23 6.980 -7.515 -0.164 1.00 0.00 C ATOM 0 H MET A 23 9.368 -3.503 2.907 1.00 0.00 H new ATOM 0 HA MET A 23 9.927 -4.076 0.089 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.464 -4.483 1.824 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.579 -4.939 0.136 1.00 0.00 H new ATOM 0 HG2 MET A 23 9.515 -6.437 0.734 1.00 0.00 H new ATOM 0 HG3 MET A 23 9.239 -6.052 2.421 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.919 -7.273 -0.229 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.552 -6.797 -0.751 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.148 -8.519 -0.555 1.00 0.00 H new ATOM 353 N THR A 24 8.433 -2.391 -1.009 1.00 0.00 N ATOM 354 CA THR A 24 7.910 -1.215 -1.672 1.00 0.00 C ATOM 355 C THR A 24 6.536 -1.489 -2.276 1.00 0.00 C ATOM 356 O THR A 24 6.402 -2.307 -3.190 1.00 0.00 O ATOM 357 CB THR A 24 8.868 -0.766 -2.790 1.00 0.00 C ATOM 358 OG1 THR A 24 10.206 -0.682 -2.283 1.00 0.00 O ATOM 359 CG2 THR A 24 8.453 0.579 -3.358 1.00 0.00 C ATOM 0 H THR A 24 8.704 -3.141 -1.644 1.00 0.00 H new ATOM 0 HA THR A 24 7.817 -0.427 -0.925 1.00 0.00 H new ATOM 0 HB THR A 24 8.825 -1.506 -3.589 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.299 0.126 -1.736 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.147 0.871 -4.146 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.447 0.505 -3.770 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.466 1.328 -2.566 1.00 0.00 H new ATOM 367 N ALA A 25 5.521 -0.826 -1.746 1.00 0.00 N ATOM 368 CA ALA A 25 4.191 -0.879 -2.321 1.00 0.00 C ATOM 369 C ALA A 25 3.908 0.414 -3.066 1.00 0.00 C ATOM 370 O ALA A 25 3.797 1.477 -2.463 1.00 0.00 O ATOM 371 CB ALA A 25 3.146 -1.117 -1.243 1.00 0.00 C ATOM 0 H ALA A 25 5.596 -0.242 -0.913 1.00 0.00 H new ATOM 0 HA ALA A 25 4.141 -1.712 -3.022 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.156 -1.153 -1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.350 -2.063 -0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.182 -0.306 -0.516 1.00 0.00 H new ATOM 377 N THR A 26 3.805 0.324 -4.374 1.00 0.00 N ATOM 378 CA THR A 26 3.589 1.498 -5.195 1.00 0.00 C ATOM 379 C THR A 26 2.109 1.842 -5.233 1.00 0.00 C ATOM 380 O THR A 26 1.315 1.153 -5.876 1.00 0.00 O ATOM 381 CB THR A 26 4.120 1.273 -6.626 1.00 0.00 C ATOM 382 OG1 THR A 26 5.494 0.862 -6.574 1.00 0.00 O ATOM 383 CG2 THR A 26 4.001 2.541 -7.459 1.00 0.00 C ATOM 0 H THR A 26 3.867 -0.551 -4.894 1.00 0.00 H new ATOM 0 HA THR A 26 4.137 2.331 -4.755 1.00 0.00 H new ATOM 0 HB THR A 26 3.518 0.494 -7.094 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.054 1.623 -6.315 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.382 2.354 -8.463 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.955 2.840 -7.518 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.581 3.338 -6.993 1.00 0.00 H new ATOM 391 N ILE A 27 1.735 2.880 -4.504 1.00 0.00 N ATOM 392 CA ILE A 27 0.349 3.306 -4.436 1.00 0.00 C ATOM 393 C ILE A 27 0.109 4.444 -5.415 1.00 0.00 C ATOM 394 O ILE A 27 0.703 5.515 -5.289 1.00 0.00 O ATOM 395 CB ILE A 27 -0.028 3.775 -3.013 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.392 2.737 -1.965 1.00 0.00 C ATOM 397 CG2 ILE A 27 -1.520 4.056 -2.916 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.161 1.348 -2.196 1.00 0.00 C ATOM 0 H ILE A 27 2.377 3.446 -3.948 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.275 2.450 -4.696 1.00 0.00 H new ATOM 0 HB ILE A 27 0.511 4.701 -2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.480 2.681 -1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.071 3.082 -0.982 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.763 4.385 -1.906 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.790 4.837 -3.627 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.077 3.148 -3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.188 0.682 -1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.250 1.384 -2.185 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.180 0.976 -3.162 1.00 0.00 H new ATOM 410 N GLU A 28 -0.742 4.209 -6.395 1.00 0.00 N ATOM 411 CA GLU A 28 -1.028 5.216 -7.398 1.00 0.00 C ATOM 412 C GLU A 28 -2.469 5.686 -7.272 1.00 0.00 C ATOM 413 O GLU A 28 -3.404 4.887 -7.329 1.00 0.00 O ATOM 414 CB GLU A 28 -0.766 4.652 -8.795 1.00 0.00 C ATOM 415 CG GLU A 28 -0.844 5.685 -9.904 1.00 0.00 C ATOM 416 CD GLU A 28 -0.427 5.126 -11.246 1.00 0.00 C ATOM 417 OE1 GLU A 28 0.751 4.740 -11.392 1.00 0.00 O ATOM 418 OE2 GLU A 28 -1.270 5.082 -12.165 1.00 0.00 O ATOM 0 H GLU A 28 -1.247 3.331 -6.518 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.371 6.072 -7.240 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.222 4.192 -8.810 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.489 3.862 -8.998 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.864 6.063 -9.973 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.206 6.532 -9.653 1.00 0.00 H new ATOM 425 N ASN A 29 -2.640 6.982 -7.075 1.00 0.00 N ATOM 426 CA ASN A 29 -3.974 7.566 -6.984 1.00 0.00 C ATOM 427 C ASN A 29 -4.550 7.734 -8.378 1.00 0.00 C ATOM 428 O ASN A 29 -4.242 8.696 -9.077 1.00 0.00 O ATOM 429 CB ASN A 29 -3.931 8.916 -6.258 1.00 0.00 C ATOM 430 CG ASN A 29 -5.280 9.619 -6.222 1.00 0.00 C ATOM 431 OD1 ASN A 29 -6.338 8.985 -6.243 1.00 0.00 O ATOM 432 ND2 ASN A 29 -5.247 10.940 -6.163 1.00 0.00 N ATOM 0 H ASN A 29 -1.877 7.651 -6.975 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.612 6.896 -6.408 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.581 8.762 -5.237 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.204 9.563 -6.749 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.117 11.471 -6.133 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.351 11.428 -6.147 1.00 0.00 H new ATOM 439 N GLN A 30 -5.381 6.793 -8.781 1.00 0.00 N ATOM 440 CA GLN A 30 -5.905 6.775 -10.132 1.00 0.00 C ATOM 441 C GLN A 30 -7.323 7.327 -10.147 1.00 0.00 C ATOM 442 O GLN A 30 -8.266 6.675 -10.604 1.00 0.00 O ATOM 443 CB GLN A 30 -5.849 5.356 -10.705 1.00 0.00 C ATOM 444 CG GLN A 30 -4.440 4.783 -10.733 1.00 0.00 C ATOM 445 CD GLN A 30 -4.353 3.426 -11.402 1.00 0.00 C ATOM 446 OE1 GLN A 30 -5.299 2.641 -11.380 1.00 0.00 O ATOM 447 NE2 GLN A 30 -3.210 3.141 -12.005 1.00 0.00 N ATOM 0 H GLN A 30 -5.708 6.029 -8.190 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.288 7.412 -10.766 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.489 4.704 -10.110 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.253 5.362 -11.717 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.783 5.479 -11.255 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.070 4.700 -9.711 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.448 3.819 -12.001 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.091 2.243 -12.474 1.00 0.00 H new ATOM 456 N GLY A 31 -7.452 8.548 -9.652 1.00 0.00 N ATOM 457 CA GLY A 31 -8.734 9.211 -9.596 1.00 0.00 C ATOM 458 C GLY A 31 -8.586 10.692 -9.853 1.00 0.00 C ATOM 459 O GLY A 31 -7.471 11.179 -10.027 1.00 0.00 O ATOM 0 H GLY A 31 -6.676 9.098 -9.283 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.406 8.775 -10.335 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.188 9.051 -8.618 1.00 0.00 H new ATOM 463 N ASN A 32 -9.700 11.410 -9.874 1.00 0.00 N ATOM 464 CA ASN A 32 -9.687 12.823 -10.246 1.00 0.00 C ATOM 465 C ASN A 32 -9.083 13.702 -9.156 1.00 0.00 C ATOM 466 O ASN A 32 -8.339 14.636 -9.447 1.00 0.00 O ATOM 467 CB ASN A 32 -11.101 13.322 -10.575 1.00 0.00 C ATOM 468 CG ASN A 32 -11.623 12.841 -11.921 1.00 0.00 C ATOM 469 OD1 ASN A 32 -12.342 13.565 -12.611 1.00 0.00 O ATOM 470 ND2 ASN A 32 -11.296 11.613 -12.295 1.00 0.00 N ATOM 0 H ASN A 32 -10.622 11.042 -9.639 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.059 12.900 -11.134 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -11.784 12.993 -9.792 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.104 14.412 -10.563 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -11.642 11.240 -13.179 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -10.698 11.040 -11.699 1.00 0.00 H new ATOM 477 N LYS A 33 -9.377 13.399 -7.903 1.00 0.00 N ATOM 478 CA LYS A 33 -9.013 14.296 -6.810 1.00 0.00 C ATOM 479 C LYS A 33 -7.766 13.832 -6.066 1.00 0.00 C ATOM 480 O LYS A 33 -7.493 12.635 -5.953 1.00 0.00 O ATOM 481 CB LYS A 33 -10.182 14.445 -5.831 1.00 0.00 C ATOM 482 CG LYS A 33 -9.825 15.203 -4.561 1.00 0.00 C ATOM 483 CD LYS A 33 -11.028 15.399 -3.659 1.00 0.00 C ATOM 484 CE LYS A 33 -10.613 15.829 -2.259 1.00 0.00 C ATOM 485 NZ LYS A 33 -9.698 17.003 -2.270 1.00 0.00 N ATOM 0 H LYS A 33 -9.862 12.549 -7.615 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.784 15.264 -7.256 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -11.001 14.960 -6.333 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.547 13.454 -5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.051 14.659 -4.020 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.407 16.175 -4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.689 16.151 -4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.596 14.471 -3.602 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.503 16.072 -1.678 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.123 14.995 -1.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.594 17.371 -1.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.767 16.714 -2.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.093 17.745 -2.882 1.00 0.00 H new ATOM 499 N ASP A 34 -7.015 14.815 -5.582 1.00 0.00 N ATOM 500 CA ASP A 34 -5.854 14.593 -4.734 1.00 0.00 C ATOM 501 C ASP A 34 -6.269 13.993 -3.392 1.00 0.00 C ATOM 502 O ASP A 34 -7.281 14.392 -2.805 1.00 0.00 O ATOM 503 CB ASP A 34 -5.138 15.934 -4.513 1.00 0.00 C ATOM 504 CG ASP A 34 -4.136 15.910 -3.373 1.00 0.00 C ATOM 505 OD1 ASP A 34 -4.555 16.079 -2.207 1.00 0.00 O ATOM 506 OD2 ASP A 34 -2.930 15.764 -3.644 1.00 0.00 O ATOM 0 H ASP A 34 -7.199 15.800 -5.771 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.182 13.888 -5.223 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.623 16.217 -5.431 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.883 16.705 -4.314 1.00 0.00 H new ATOM 511 N SER A 35 -5.495 13.034 -2.917 1.00 0.00 N ATOM 512 CA SER A 35 -5.738 12.433 -1.619 1.00 0.00 C ATOM 513 C SER A 35 -4.713 12.929 -0.607 1.00 0.00 C ATOM 514 O SER A 35 -3.527 13.044 -0.917 1.00 0.00 O ATOM 515 CB SER A 35 -5.699 10.907 -1.727 1.00 0.00 C ATOM 516 OG SER A 35 -4.551 10.472 -2.433 1.00 0.00 O ATOM 0 H SER A 35 -4.689 12.654 -3.414 1.00 0.00 H new ATOM 0 HA SER A 35 -6.729 12.728 -1.274 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.703 10.469 -0.729 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.597 10.553 -2.234 1.00 0.00 H new ATOM 0 HG SER A 35 -4.017 11.249 -2.700 1.00 0.00 H new ATOM 522 N THR A 36 -5.171 13.240 0.593 1.00 0.00 N ATOM 523 CA THR A 36 -4.290 13.736 1.634 1.00 0.00 C ATOM 524 C THR A 36 -3.731 12.567 2.459 1.00 0.00 C ATOM 525 O THR A 36 -3.281 11.569 1.896 1.00 0.00 O ATOM 526 CB THR A 36 -5.033 14.743 2.538 1.00 0.00 C ATOM 527 OG1 THR A 36 -5.916 15.547 1.742 1.00 0.00 O ATOM 528 CG2 THR A 36 -4.052 15.659 3.260 1.00 0.00 C ATOM 0 H THR A 36 -6.149 13.157 0.870 1.00 0.00 H new ATOM 0 HA THR A 36 -3.454 14.256 1.166 1.00 0.00 H new ATOM 0 HB THR A 36 -5.599 14.178 3.278 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.387 16.184 2.319 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.603 16.358 3.890 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.384 15.061 3.880 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.466 16.214 2.528 1.00 0.00 H new ATOM 536 N SER A 37 -3.763 12.682 3.781 1.00 0.00 N ATOM 537 CA SER A 37 -3.169 11.677 4.646 1.00 0.00 C ATOM 538 C SER A 37 -4.034 10.426 4.727 1.00 0.00 C ATOM 539 O SER A 37 -5.117 10.438 5.316 1.00 0.00 O ATOM 540 CB SER A 37 -2.944 12.263 6.036 1.00 0.00 C ATOM 541 OG SER A 37 -2.156 13.440 5.953 1.00 0.00 O ATOM 0 H SER A 37 -4.195 13.463 4.275 1.00 0.00 H new ATOM 0 HA SER A 37 -2.210 11.383 4.219 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.903 12.491 6.501 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.448 11.529 6.671 1.00 0.00 H new ATOM 0 HG SER A 37 -1.707 13.472 5.083 1.00 0.00 H new ATOM 547 N PHE A 38 -3.548 9.356 4.123 1.00 0.00 N ATOM 548 CA PHE A 38 -4.234 8.077 4.145 1.00 0.00 C ATOM 549 C PHE A 38 -3.306 7.022 4.740 1.00 0.00 C ATOM 550 O PHE A 38 -2.085 7.112 4.600 1.00 0.00 O ATOM 551 CB PHE A 38 -4.677 7.684 2.729 1.00 0.00 C ATOM 552 CG PHE A 38 -3.540 7.391 1.788 1.00 0.00 C ATOM 553 CD1 PHE A 38 -2.758 8.411 1.266 1.00 0.00 C ATOM 554 CD2 PHE A 38 -3.254 6.088 1.432 1.00 0.00 C ATOM 555 CE1 PHE A 38 -1.710 8.127 0.413 1.00 0.00 C ATOM 556 CE2 PHE A 38 -2.214 5.803 0.577 1.00 0.00 C ATOM 557 CZ PHE A 38 -1.441 6.815 0.068 1.00 0.00 C ATOM 0 H PHE A 38 -2.669 9.349 3.605 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.128 8.152 4.763 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.318 6.805 2.792 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.281 8.490 2.312 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.971 9.437 1.529 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.854 5.283 1.829 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.102 8.927 0.016 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.006 4.779 0.306 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.624 6.588 -0.601 1.00 0.00 H new ATOM 567 N ASN A 39 -3.871 6.035 5.410 1.00 0.00 N ATOM 568 CA ASN A 39 -3.062 5.059 6.130 1.00 0.00 C ATOM 569 C ASN A 39 -2.913 3.771 5.323 1.00 0.00 C ATOM 570 O ASN A 39 -3.885 3.068 5.091 1.00 0.00 O ATOM 571 CB ASN A 39 -3.707 4.754 7.481 1.00 0.00 C ATOM 572 CG ASN A 39 -2.694 4.659 8.602 1.00 0.00 C ATOM 573 OD1 ASN A 39 -1.537 4.306 8.387 1.00 0.00 O ATOM 574 ND2 ASN A 39 -3.124 4.987 9.808 1.00 0.00 N ATOM 0 H ASN A 39 -4.878 5.885 5.473 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.069 5.481 6.286 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.432 5.533 7.717 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.257 3.816 7.413 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.487 4.952 10.604 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.093 5.275 9.943 1.00 0.00 H new ATOM 581 N VAL A 40 -1.699 3.448 4.908 1.00 0.00 N ATOM 582 CA VAL A 40 -1.473 2.253 4.112 1.00 0.00 C ATOM 583 C VAL A 40 -0.981 1.118 4.998 1.00 0.00 C ATOM 584 O VAL A 40 0.112 1.167 5.561 1.00 0.00 O ATOM 585 CB VAL A 40 -0.507 2.518 2.922 1.00 0.00 C ATOM 586 CG1 VAL A 40 0.213 1.253 2.495 1.00 0.00 C ATOM 587 CG2 VAL A 40 -1.285 3.060 1.747 1.00 0.00 C ATOM 0 H VAL A 40 -0.860 3.993 5.107 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.425 1.956 3.672 1.00 0.00 H new ATOM 0 HB VAL A 40 0.236 3.243 3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.879 1.477 1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.796 0.866 3.331 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.517 0.506 2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.606 3.245 0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.040 2.334 1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.772 3.993 2.032 1.00 0.00 H new ATOM 597 N SER A 41 -1.828 0.112 5.146 1.00 0.00 N ATOM 598 CA SER A 41 -1.538 -1.016 6.010 1.00 0.00 C ATOM 599 C SER A 41 -1.139 -2.237 5.194 1.00 0.00 C ATOM 600 O SER A 41 -1.809 -2.588 4.219 1.00 0.00 O ATOM 601 CB SER A 41 -2.765 -1.335 6.869 1.00 0.00 C ATOM 602 OG SER A 41 -3.939 -1.419 6.073 1.00 0.00 O ATOM 0 H SER A 41 -2.730 0.056 4.673 1.00 0.00 H new ATOM 0 HA SER A 41 -0.701 -0.752 6.657 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.610 -2.277 7.394 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.891 -0.564 7.629 1.00 0.00 H new ATOM 0 HG SER A 41 -4.627 -1.923 6.557 1.00 0.00 H new ATOM 608 N LEU A 42 -0.047 -2.871 5.587 1.00 0.00 N ATOM 609 CA LEU A 42 0.369 -4.111 4.962 1.00 0.00 C ATOM 610 C LEU A 42 -0.089 -5.283 5.811 1.00 0.00 C ATOM 611 O LEU A 42 0.409 -5.498 6.922 1.00 0.00 O ATOM 612 CB LEU A 42 1.887 -4.155 4.778 1.00 0.00 C ATOM 613 CG LEU A 42 2.421 -5.443 4.145 1.00 0.00 C ATOM 614 CD1 LEU A 42 1.840 -5.639 2.752 1.00 0.00 C ATOM 615 CD2 LEU A 42 3.939 -5.420 4.093 1.00 0.00 C ATOM 0 H LEU A 42 0.566 -2.546 6.335 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.089 -4.173 3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.188 -3.310 4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.361 -4.022 5.751 1.00 0.00 H new ATOM 0 HG LEU A 42 2.110 -6.284 4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.232 -6.560 2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.754 -5.703 2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.117 -4.795 2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.302 -6.343 3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.270 -4.569 3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.336 -5.331 5.104 1.00 0.00 H new ATOM 627 N LEU A 43 -1.058 -6.019 5.304 1.00 0.00 N ATOM 628 CA LEU A 43 -1.591 -7.161 6.018 1.00 0.00 C ATOM 629 C LEU A 43 -0.957 -8.447 5.521 1.00 0.00 C ATOM 630 O LEU A 43 -0.692 -8.604 4.332 1.00 0.00 O ATOM 631 CB LEU A 43 -3.112 -7.257 5.862 1.00 0.00 C ATOM 632 CG LEU A 43 -3.912 -6.056 6.372 1.00 0.00 C ATOM 633 CD1 LEU A 43 -4.096 -5.021 5.277 1.00 0.00 C ATOM 634 CD2 LEU A 43 -5.256 -6.512 6.916 1.00 0.00 C ATOM 0 H LEU A 43 -1.493 -5.846 4.398 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.354 -7.022 7.073 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.341 -7.400 4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.456 -8.148 6.387 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.351 -5.588 7.181 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.668 -4.178 5.665 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.120 -4.673 4.938 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.632 -5.468 4.440 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.815 -5.648 7.276 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.820 -7.006 6.125 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.098 -7.210 7.738 1.00 0.00 H new ATOM 646 N VAL A 44 -0.707 -9.353 6.443 1.00 0.00 N ATOM 647 CA VAL A 44 -0.259 -10.687 6.110 1.00 0.00 C ATOM 648 C VAL A 44 -1.394 -11.661 6.383 1.00 0.00 C ATOM 649 O VAL A 44 -1.644 -12.027 7.536 1.00 0.00 O ATOM 650 CB VAL A 44 0.995 -11.099 6.912 1.00 0.00 C ATOM 651 CG1 VAL A 44 1.423 -12.513 6.553 1.00 0.00 C ATOM 652 CG2 VAL A 44 2.135 -10.125 6.662 1.00 0.00 C ATOM 0 H VAL A 44 -0.809 -9.185 7.444 1.00 0.00 H new ATOM 0 HA VAL A 44 0.018 -10.704 5.056 1.00 0.00 H new ATOM 0 HB VAL A 44 0.742 -11.073 7.972 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.308 -12.783 7.129 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.615 -13.207 6.783 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.654 -12.564 5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.009 -10.433 7.236 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.382 -10.119 5.600 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.833 -9.124 6.970 1.00 0.00 H new ATOM 662 N ASP A 45 -2.098 -12.025 5.316 1.00 0.00 N ATOM 663 CA ASP A 45 -3.271 -12.897 5.386 1.00 0.00 C ATOM 664 C ASP A 45 -4.426 -12.210 6.115 1.00 0.00 C ATOM 665 O ASP A 45 -5.391 -11.770 5.489 1.00 0.00 O ATOM 666 CB ASP A 45 -2.927 -14.231 6.053 1.00 0.00 C ATOM 667 CG ASP A 45 -4.095 -15.192 6.062 1.00 0.00 C ATOM 668 OD1 ASP A 45 -4.502 -15.646 4.972 1.00 0.00 O ATOM 669 OD2 ASP A 45 -4.596 -15.517 7.159 1.00 0.00 O ATOM 0 H ASP A 45 -1.870 -11.722 4.369 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.591 -13.102 4.364 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.088 -14.689 5.530 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.603 -14.048 7.078 1.00 0.00 H new ATOM 674 N GLY A 46 -4.308 -12.104 7.426 1.00 0.00 N ATOM 675 CA GLY A 46 -5.333 -11.463 8.224 1.00 0.00 C ATOM 676 C GLY A 46 -4.752 -10.674 9.382 1.00 0.00 C ATOM 677 O GLY A 46 -5.489 -10.142 10.213 1.00 0.00 O ATOM 0 H GLY A 46 -3.512 -12.454 7.959 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.919 -10.797 7.591 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.016 -12.220 8.609 1.00 0.00 H new ATOM 681 N ILE A 47 -3.428 -10.597 9.439 1.00 0.00 N ATOM 682 CA ILE A 47 -2.745 -9.877 10.507 1.00 0.00 C ATOM 683 C ILE A 47 -2.053 -8.650 9.929 1.00 0.00 C ATOM 684 O ILE A 47 -1.703 -8.635 8.755 1.00 0.00 O ATOM 685 CB ILE A 47 -1.682 -10.762 11.197 1.00 0.00 C ATOM 686 CG1 ILE A 47 -2.202 -12.189 11.380 1.00 0.00 C ATOM 687 CG2 ILE A 47 -1.290 -10.169 12.545 1.00 0.00 C ATOM 688 CD1 ILE A 47 -1.169 -13.150 11.929 1.00 0.00 C ATOM 0 H ILE A 47 -2.804 -11.026 8.756 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.493 -9.588 11.246 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.800 -10.795 10.558 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.060 -12.170 12.052 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.558 -12.562 10.420 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.541 -10.804 13.018 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.878 -9.171 12.397 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.170 -10.108 13.185 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.612 -14.141 12.031 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.320 -13.200 11.247 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.830 -12.802 12.905 1.00 0.00 H new ATOM 700 N VAL A 48 -1.852 -7.630 10.739 1.00 0.00 N ATOM 701 CA VAL A 48 -1.183 -6.423 10.276 1.00 0.00 C ATOM 702 C VAL A 48 0.227 -6.358 10.848 1.00 0.00 C ATOM 703 O VAL A 48 0.416 -6.440 12.062 1.00 0.00 O ATOM 704 CB VAL A 48 -1.956 -5.146 10.675 1.00 0.00 C ATOM 705 CG1 VAL A 48 -1.260 -3.906 10.134 1.00 0.00 C ATOM 706 CG2 VAL A 48 -3.394 -5.210 10.183 1.00 0.00 C ATOM 0 H VAL A 48 -2.140 -7.609 11.717 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.144 -6.469 9.188 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.970 -5.084 11.763 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.820 -3.018 10.426 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.251 -3.849 10.541 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.210 -3.962 9.047 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.919 -4.301 10.475 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.403 -5.301 9.097 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.891 -6.074 10.624 1.00 0.00 H new ATOM 716 N VAL A 49 1.216 -6.228 9.975 1.00 0.00 N ATOM 717 CA VAL A 49 2.601 -6.151 10.418 1.00 0.00 C ATOM 718 C VAL A 49 3.052 -4.703 10.567 1.00 0.00 C ATOM 719 O VAL A 49 3.858 -4.385 11.441 1.00 0.00 O ATOM 720 CB VAL A 49 3.564 -6.905 9.474 1.00 0.00 C ATOM 721 CG1 VAL A 49 3.324 -8.406 9.559 1.00 0.00 C ATOM 722 CG2 VAL A 49 3.422 -6.422 8.037 1.00 0.00 C ATOM 0 H VAL A 49 1.087 -6.174 8.965 1.00 0.00 H new ATOM 0 HA VAL A 49 2.639 -6.639 11.392 1.00 0.00 H new ATOM 0 HB VAL A 49 4.584 -6.694 9.797 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.010 -8.923 8.888 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.493 -8.744 10.581 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.297 -8.627 9.268 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.113 -6.972 7.398 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.400 -6.590 7.696 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.651 -5.357 7.987 1.00 0.00 H new ATOM 732 N ASP A 50 2.526 -3.824 9.723 1.00 0.00 N ATOM 733 CA ASP A 50 2.859 -2.411 9.804 1.00 0.00 C ATOM 734 C ASP A 50 1.802 -1.570 9.108 1.00 0.00 C ATOM 735 O ASP A 50 1.254 -1.967 8.076 1.00 0.00 O ATOM 736 CB ASP A 50 4.231 -2.137 9.187 1.00 0.00 C ATOM 737 CG ASP A 50 4.745 -0.751 9.526 1.00 0.00 C ATOM 738 OD1 ASP A 50 4.958 -0.477 10.729 1.00 0.00 O ATOM 739 OD2 ASP A 50 4.938 0.060 8.606 1.00 0.00 O ATOM 0 H ASP A 50 1.871 -4.065 8.979 1.00 0.00 H new ATOM 0 HA ASP A 50 2.890 -2.136 10.858 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.942 -2.883 9.541 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.169 -2.245 8.104 1.00 0.00 H new ATOM 744 N THR A 51 1.511 -0.422 9.692 1.00 0.00 N ATOM 745 CA THR A 51 0.542 0.506 9.141 1.00 0.00 C ATOM 746 C THR A 51 1.202 1.866 8.945 1.00 0.00 C ATOM 747 O THR A 51 1.517 2.559 9.914 1.00 0.00 O ATOM 748 CB THR A 51 -0.676 0.646 10.075 1.00 0.00 C ATOM 749 OG1 THR A 51 -1.097 -0.651 10.521 1.00 0.00 O ATOM 750 CG2 THR A 51 -1.827 1.335 9.365 1.00 0.00 C ATOM 0 H THR A 51 1.940 -0.107 10.562 1.00 0.00 H new ATOM 0 HA THR A 51 0.194 0.122 8.182 1.00 0.00 H new ATOM 0 HB THR A 51 -0.382 1.253 10.931 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.870 -0.557 11.116 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.674 1.422 10.045 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.515 2.329 9.046 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.120 0.749 8.494 1.00 0.00 H new ATOM 758 N GLN A 52 1.423 2.237 7.698 1.00 0.00 N ATOM 759 CA GLN A 52 2.183 3.432 7.392 1.00 0.00 C ATOM 760 C GLN A 52 1.283 4.530 6.836 1.00 0.00 C ATOM 761 O GLN A 52 0.731 4.407 5.742 1.00 0.00 O ATOM 762 CB GLN A 52 3.291 3.101 6.394 1.00 0.00 C ATOM 763 CG GLN A 52 4.164 4.289 6.043 1.00 0.00 C ATOM 764 CD GLN A 52 5.152 3.982 4.945 1.00 0.00 C ATOM 765 OE1 GLN A 52 5.658 2.870 4.844 1.00 0.00 O ATOM 766 NE2 GLN A 52 5.397 4.958 4.089 1.00 0.00 N ATOM 0 H GLN A 52 1.087 1.727 6.881 1.00 0.00 H new ATOM 0 HA GLN A 52 2.629 3.800 8.316 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.917 2.310 6.807 1.00 0.00 H new ATOM 0 HB3 GLN A 52 2.842 2.708 5.482 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.531 5.121 5.734 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.705 4.613 6.932 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.953 5.868 4.212 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.030 4.802 3.305 1.00 0.00 H new ATOM 775 N THR A 53 1.134 5.600 7.600 1.00 0.00 N ATOM 776 CA THR A 53 0.344 6.737 7.168 1.00 0.00 C ATOM 777 C THR A 53 1.117 7.562 6.145 1.00 0.00 C ATOM 778 O THR A 53 2.210 8.054 6.429 1.00 0.00 O ATOM 779 CB THR A 53 -0.033 7.632 8.362 1.00 0.00 C ATOM 780 OG1 THR A 53 -0.524 6.819 9.436 1.00 0.00 O ATOM 781 CG2 THR A 53 -1.091 8.651 7.966 1.00 0.00 C ATOM 0 H THR A 53 1.552 5.703 8.525 1.00 0.00 H new ATOM 0 HA THR A 53 -0.569 6.354 6.712 1.00 0.00 H new ATOM 0 HB THR A 53 0.858 8.170 8.685 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.762 7.390 10.196 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.340 9.271 8.827 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.707 9.282 7.164 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.986 8.132 7.622 1.00 0.00 H new ATOM 789 N VAL A 54 0.559 7.690 4.954 1.00 0.00 N ATOM 790 CA VAL A 54 1.164 8.501 3.915 1.00 0.00 C ATOM 791 C VAL A 54 0.590 9.908 3.985 1.00 0.00 C ATOM 792 O VAL A 54 -0.629 10.086 3.996 1.00 0.00 O ATOM 793 CB VAL A 54 0.923 7.906 2.511 1.00 0.00 C ATOM 794 CG1 VAL A 54 1.705 8.678 1.457 1.00 0.00 C ATOM 795 CG2 VAL A 54 1.290 6.428 2.479 1.00 0.00 C ATOM 0 H VAL A 54 -0.315 7.240 4.683 1.00 0.00 H new ATOM 0 HA VAL A 54 2.241 8.523 4.082 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.139 7.997 2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.521 8.242 0.475 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.385 9.720 1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.770 8.626 1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.112 6.030 1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.343 6.309 2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.678 5.885 3.200 1.00 0.00 H new ATOM 805 N THR A 55 1.473 10.895 4.054 1.00 0.00 N ATOM 806 CA THR A 55 1.074 12.281 4.257 1.00 0.00 C ATOM 807 C THR A 55 0.118 12.777 3.168 1.00 0.00 C ATOM 808 O THR A 55 -0.834 13.505 3.463 1.00 0.00 O ATOM 809 CB THR A 55 2.312 13.197 4.321 1.00 0.00 C ATOM 810 OG1 THR A 55 3.241 12.678 5.283 1.00 0.00 O ATOM 811 CG2 THR A 55 1.926 14.615 4.712 1.00 0.00 C ATOM 0 H THR A 55 2.480 10.759 3.971 1.00 0.00 H new ATOM 0 HA THR A 55 0.542 12.320 5.207 1.00 0.00 H new ATOM 0 HB THR A 55 2.769 13.223 3.332 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.029 13.259 5.323 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.820 15.238 4.749 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.232 15.019 3.975 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.450 14.605 5.692 1.00 0.00 H new ATOM 819 N SER A 56 0.355 12.371 1.924 1.00 0.00 N ATOM 820 CA SER A 56 -0.460 12.831 0.806 1.00 0.00 C ATOM 821 C SER A 56 -0.155 12.045 -0.467 1.00 0.00 C ATOM 822 O SER A 56 0.867 11.364 -0.555 1.00 0.00 O ATOM 823 CB SER A 56 -0.215 14.323 0.575 1.00 0.00 C ATOM 824 OG SER A 56 1.178 14.609 0.579 1.00 0.00 O ATOM 0 H SER A 56 1.102 11.727 1.666 1.00 0.00 H new ATOM 0 HA SER A 56 -1.508 12.665 1.055 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.651 14.625 -0.377 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.713 14.903 1.352 1.00 0.00 H new ATOM 0 HG SER A 56 1.316 15.567 0.428 1.00 0.00 H new ATOM 830 N LEU A 57 -1.054 12.139 -1.440 1.00 0.00 N ATOM 831 CA LEU A 57 -0.866 11.515 -2.740 1.00 0.00 C ATOM 832 C LEU A 57 -1.709 12.238 -3.790 1.00 0.00 C ATOM 833 O LEU A 57 -2.941 12.213 -3.738 1.00 0.00 O ATOM 834 CB LEU A 57 -1.234 10.028 -2.687 1.00 0.00 C ATOM 835 CG LEU A 57 -1.069 9.268 -4.005 1.00 0.00 C ATOM 836 CD1 LEU A 57 0.339 9.435 -4.545 1.00 0.00 C ATOM 837 CD2 LEU A 57 -1.389 7.795 -3.812 1.00 0.00 C ATOM 0 H LEU A 57 -1.932 12.650 -1.348 1.00 0.00 H new ATOM 0 HA LEU A 57 0.186 11.593 -3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.619 9.545 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.270 9.938 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.768 9.684 -4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.437 8.887 -5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.539 10.492 -4.720 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.055 9.046 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.267 7.269 -4.759 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.712 7.370 -3.071 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.418 7.688 -3.468 1.00 0.00 H new ATOM 849 N GLU A 58 -1.039 12.880 -4.738 1.00 0.00 N ATOM 850 CA GLU A 58 -1.719 13.687 -5.744 1.00 0.00 C ATOM 851 C GLU A 58 -2.356 12.818 -6.825 1.00 0.00 C ATOM 852 O GLU A 58 -2.105 11.613 -6.901 1.00 0.00 O ATOM 853 CB GLU A 58 -0.742 14.673 -6.384 1.00 0.00 C ATOM 854 CG GLU A 58 -0.068 15.592 -5.382 1.00 0.00 C ATOM 855 CD GLU A 58 0.690 16.718 -6.048 1.00 0.00 C ATOM 856 OE1 GLU A 58 1.873 16.521 -6.398 1.00 0.00 O ATOM 857 OE2 GLU A 58 0.104 17.807 -6.222 1.00 0.00 O ATOM 0 H GLU A 58 -0.024 12.858 -4.832 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.513 14.238 -5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.022 14.116 -6.925 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.276 15.277 -7.118 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.821 16.010 -4.714 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.618 15.011 -4.765 1.00 0.00 H new ATOM 864 N SER A 59 -3.177 13.444 -7.658 1.00 0.00 N ATOM 865 CA SER A 59 -3.871 12.753 -8.733 1.00 0.00 C ATOM 866 C SER A 59 -2.883 12.182 -9.748 1.00 0.00 C ATOM 867 O SER A 59 -2.020 12.898 -10.262 1.00 0.00 O ATOM 868 CB SER A 59 -4.837 13.716 -9.428 1.00 0.00 C ATOM 869 OG SER A 59 -5.689 14.344 -8.486 1.00 0.00 O ATOM 0 H SER A 59 -3.379 14.442 -7.607 1.00 0.00 H new ATOM 0 HA SER A 59 -4.431 11.923 -8.302 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.273 14.472 -9.975 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.435 13.173 -10.160 1.00 0.00 H new ATOM 0 HG SER A 59 -6.590 14.424 -8.862 1.00 0.00 H new ATOM 875 N GLU A 60 -3.007 10.880 -10.002 1.00 0.00 N ATOM 876 CA GLU A 60 -2.197 10.175 -10.995 1.00 0.00 C ATOM 877 C GLU A 60 -0.724 10.124 -10.598 1.00 0.00 C ATOM 878 O GLU A 60 0.140 9.817 -11.418 1.00 0.00 O ATOM 879 CB GLU A 60 -2.373 10.805 -12.377 1.00 0.00 C ATOM 880 CG GLU A 60 -3.795 10.695 -12.904 1.00 0.00 C ATOM 881 CD GLU A 60 -3.960 11.299 -14.278 1.00 0.00 C ATOM 882 OE1 GLU A 60 -3.565 10.648 -15.270 1.00 0.00 O ATOM 883 OE2 GLU A 60 -4.485 12.426 -14.379 1.00 0.00 O ATOM 0 H GLU A 60 -3.677 10.280 -9.521 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.551 9.145 -11.037 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.089 11.856 -12.330 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.693 10.323 -13.079 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.085 9.645 -12.937 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.474 11.191 -12.210 1.00 0.00 H new ATOM 890 N ASN A 61 -0.446 10.404 -9.334 1.00 0.00 N ATOM 891 CA ASN A 61 0.906 10.291 -8.808 1.00 0.00 C ATOM 892 C ASN A 61 1.045 8.950 -8.103 1.00 0.00 C ATOM 893 O ASN A 61 0.093 8.462 -7.488 1.00 0.00 O ATOM 894 CB ASN A 61 1.202 11.458 -7.850 1.00 0.00 C ATOM 895 CG ASN A 61 2.658 11.545 -7.398 1.00 0.00 C ATOM 896 OD1 ASN A 61 3.320 10.541 -7.144 1.00 0.00 O ATOM 897 ND2 ASN A 61 3.177 12.759 -7.316 1.00 0.00 N ATOM 0 H ASN A 61 -1.140 10.712 -8.652 1.00 0.00 H new ATOM 0 HA ASN A 61 1.630 10.342 -9.621 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.929 12.393 -8.339 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.566 11.361 -6.970 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.150 12.880 -7.036 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.604 13.574 -7.533 1.00 0.00 H new ATOM 904 N SER A 62 2.210 8.346 -8.221 1.00 0.00 N ATOM 905 CA SER A 62 2.458 7.047 -7.624 1.00 0.00 C ATOM 906 C SER A 62 3.514 7.160 -6.525 1.00 0.00 C ATOM 907 O SER A 62 4.671 7.501 -6.789 1.00 0.00 O ATOM 908 CB SER A 62 2.912 6.063 -8.700 1.00 0.00 C ATOM 909 OG SER A 62 2.321 6.372 -9.955 1.00 0.00 O ATOM 0 H SER A 62 3.005 8.736 -8.728 1.00 0.00 H new ATOM 0 HA SER A 62 1.535 6.680 -7.176 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.998 6.091 -8.789 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.642 5.048 -8.407 1.00 0.00 H new ATOM 0 HG SER A 62 1.931 5.560 -10.342 1.00 0.00 H new ATOM 915 N THR A 63 3.113 6.881 -5.296 1.00 0.00 N ATOM 916 CA THR A 63 4.017 6.966 -4.163 1.00 0.00 C ATOM 917 C THR A 63 4.448 5.574 -3.710 1.00 0.00 C ATOM 918 O THR A 63 3.616 4.709 -3.434 1.00 0.00 O ATOM 919 CB THR A 63 3.367 7.729 -2.988 1.00 0.00 C ATOM 920 OG1 THR A 63 3.162 9.098 -3.364 1.00 0.00 O ATOM 921 CG2 THR A 63 4.229 7.663 -1.734 1.00 0.00 C ATOM 0 H THR A 63 2.164 6.593 -5.058 1.00 0.00 H new ATOM 0 HA THR A 63 4.900 7.519 -4.485 1.00 0.00 H new ATOM 0 HB THR A 63 2.411 7.257 -2.762 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.690 9.568 -2.645 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.741 8.210 -0.928 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.361 6.622 -1.438 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.203 8.109 -1.938 1.00 0.00 H new ATOM 929 N ASN A 64 5.756 5.361 -3.667 1.00 0.00 N ATOM 930 CA ASN A 64 6.315 4.091 -3.226 1.00 0.00 C ATOM 931 C ASN A 64 6.330 4.009 -1.706 1.00 0.00 C ATOM 932 O ASN A 64 7.022 4.775 -1.035 1.00 0.00 O ATOM 933 CB ASN A 64 7.733 3.904 -3.769 1.00 0.00 C ATOM 934 CG ASN A 64 7.770 3.711 -5.272 1.00 0.00 C ATOM 935 OD1 ASN A 64 6.831 3.186 -5.869 1.00 0.00 O ATOM 936 ND2 ASN A 64 8.865 4.121 -5.890 1.00 0.00 N ATOM 0 H ASN A 64 6.453 6.056 -3.934 1.00 0.00 H new ATOM 0 HA ASN A 64 5.682 3.294 -3.616 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.335 4.773 -3.505 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.190 3.041 -3.286 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.954 4.007 -6.900 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.621 4.552 -5.357 1.00 0.00 H new ATOM 943 N VAL A 65 5.568 3.072 -1.174 1.00 0.00 N ATOM 944 CA VAL A 65 5.459 2.894 0.262 1.00 0.00 C ATOM 945 C VAL A 65 6.404 1.797 0.732 1.00 0.00 C ATOM 946 O VAL A 65 6.181 0.619 0.465 1.00 0.00 O ATOM 947 CB VAL A 65 4.016 2.520 0.660 1.00 0.00 C ATOM 948 CG1 VAL A 65 3.834 2.555 2.167 1.00 0.00 C ATOM 949 CG2 VAL A 65 3.024 3.438 -0.029 1.00 0.00 C ATOM 0 H VAL A 65 5.010 2.416 -1.721 1.00 0.00 H new ATOM 0 HA VAL A 65 5.728 3.838 0.737 1.00 0.00 H new ATOM 0 HB VAL A 65 3.826 1.498 0.331 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.807 2.287 2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.517 1.845 2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.047 3.558 2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.010 3.162 0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.218 4.469 0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.130 3.343 -1.110 1.00 0.00 H new ATOM 959 N ASP A 66 7.473 2.194 1.408 1.00 0.00 N ATOM 960 CA ASP A 66 8.442 1.238 1.921 1.00 0.00 C ATOM 961 C ASP A 66 8.120 0.862 3.356 1.00 0.00 C ATOM 962 O ASP A 66 8.244 1.683 4.265 1.00 0.00 O ATOM 963 CB ASP A 66 9.866 1.792 1.842 1.00 0.00 C ATOM 964 CG ASP A 66 10.424 1.777 0.436 1.00 0.00 C ATOM 965 OD1 ASP A 66 10.537 0.683 -0.153 1.00 0.00 O ATOM 966 OD2 ASP A 66 10.764 2.857 -0.088 1.00 0.00 O ATOM 0 H ASP A 66 7.690 3.169 1.613 1.00 0.00 H new ATOM 0 HA ASP A 66 8.381 0.347 1.296 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.875 2.814 2.221 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.516 1.206 2.492 1.00 0.00 H new ATOM 971 N PHE A 67 7.716 -0.380 3.554 1.00 0.00 N ATOM 972 CA PHE A 67 7.384 -0.873 4.881 1.00 0.00 C ATOM 973 C PHE A 67 8.613 -1.491 5.528 1.00 0.00 C ATOM 974 O PHE A 67 9.610 -1.761 4.860 1.00 0.00 O ATOM 975 CB PHE A 67 6.300 -1.953 4.822 1.00 0.00 C ATOM 976 CG PHE A 67 5.026 -1.538 4.152 1.00 0.00 C ATOM 977 CD1 PHE A 67 4.030 -0.894 4.864 1.00 0.00 C ATOM 978 CD2 PHE A 67 4.818 -1.820 2.812 1.00 0.00 C ATOM 979 CE1 PHE A 67 2.848 -0.536 4.251 1.00 0.00 C ATOM 980 CE2 PHE A 67 3.640 -1.462 2.193 1.00 0.00 C ATOM 981 CZ PHE A 67 2.655 -0.821 2.911 1.00 0.00 C ATOM 0 H PHE A 67 7.609 -1.069 2.810 1.00 0.00 H new ATOM 0 HA PHE A 67 7.022 -0.023 5.459 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.702 -2.821 4.299 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.071 -2.272 5.839 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.180 -0.670 5.910 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.587 -2.326 2.247 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.075 -0.035 4.815 1.00 0.00 H new ATOM 0 HE2 PHE A 67 3.490 -1.684 1.147 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.731 -0.541 2.428 1.00 0.00 H new ATOM 991 N HIS A 68 8.519 -1.743 6.819 1.00 0.00 N ATOM 992 CA HIS A 68 9.569 -2.446 7.544 1.00 0.00 C ATOM 993 C HIS A 68 9.016 -3.753 8.100 1.00 0.00 C ATOM 994 O HIS A 68 8.393 -3.783 9.161 1.00 0.00 O ATOM 995 CB HIS A 68 10.172 -1.572 8.657 1.00 0.00 C ATOM 996 CG HIS A 68 9.182 -0.689 9.357 1.00 0.00 C ATOM 997 ND1 HIS A 68 9.058 0.652 9.085 1.00 0.00 N ATOM 998 CD2 HIS A 68 8.254 -0.964 10.301 1.00 0.00 C ATOM 999 CE1 HIS A 68 8.099 1.165 9.828 1.00 0.00 C ATOM 1000 NE2 HIS A 68 7.590 0.205 10.578 1.00 0.00 N ATOM 0 H HIS A 68 7.722 -1.471 7.394 1.00 0.00 H new ATOM 0 HA HIS A 68 10.380 -2.673 6.852 1.00 0.00 H new ATOM 0 HB2 HIS A 68 10.647 -2.220 9.394 1.00 0.00 H new ATOM 0 HB3 HIS A 68 10.956 -0.949 8.228 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.069 -1.927 10.754 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.782 2.197 9.824 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.831 0.314 11.250 1.00 0.00 H new ATOM 1009 N TRP A 69 9.224 -4.827 7.351 1.00 0.00 N ATOM 1010 CA TRP A 69 8.689 -6.133 7.708 1.00 0.00 C ATOM 1011 C TRP A 69 9.722 -6.940 8.486 1.00 0.00 C ATOM 1012 O TRP A 69 10.649 -7.500 7.900 1.00 0.00 O ATOM 1013 CB TRP A 69 8.261 -6.887 6.434 1.00 0.00 C ATOM 1014 CG TRP A 69 7.630 -8.230 6.679 1.00 0.00 C ATOM 1015 CD1 TRP A 69 7.260 -8.764 7.881 1.00 0.00 C ATOM 1016 CD2 TRP A 69 7.294 -9.211 5.688 1.00 0.00 C ATOM 1017 NE1 TRP A 69 6.717 -10.010 7.700 1.00 0.00 N ATOM 1018 CE2 TRP A 69 6.725 -10.307 6.365 1.00 0.00 C ATOM 1019 CE3 TRP A 69 7.415 -9.271 4.298 1.00 0.00 C ATOM 1020 CZ2 TRP A 69 6.283 -11.446 5.697 1.00 0.00 C ATOM 1021 CZ3 TRP A 69 6.975 -10.403 3.639 1.00 0.00 C ATOM 1022 CH2 TRP A 69 6.415 -11.476 4.339 1.00 0.00 C ATOM 0 H TRP A 69 9.764 -4.818 6.486 1.00 0.00 H new ATOM 0 HA TRP A 69 7.816 -5.995 8.346 1.00 0.00 H new ATOM 0 HB2 TRP A 69 7.557 -6.266 5.880 1.00 0.00 H new ATOM 0 HB3 TRP A 69 9.136 -7.023 5.798 1.00 0.00 H new ATOM 0 HD1 TRP A 69 7.378 -8.275 8.837 1.00 0.00 H new ATOM 0 HE1 TRP A 69 6.365 -10.617 8.440 1.00 0.00 H new ATOM 0 HE3 TRP A 69 7.845 -8.447 3.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 5.851 -12.277 6.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 7.065 -10.460 2.564 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.080 -12.346 3.794 1.00 0.00 H new ATOM 1033 N THR A 70 9.574 -6.977 9.804 1.00 0.00 N ATOM 1034 CA THR A 70 10.420 -7.819 10.635 1.00 0.00 C ATOM 1035 C THR A 70 9.997 -9.272 10.457 1.00 0.00 C ATOM 1036 O THR A 70 9.093 -9.759 11.139 1.00 0.00 O ATOM 1037 CB THR A 70 10.322 -7.424 12.122 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.484 -6.007 12.256 1.00 0.00 O ATOM 1039 CG2 THR A 70 11.380 -8.136 12.949 1.00 0.00 C ATOM 0 H THR A 70 8.879 -6.436 10.318 1.00 0.00 H new ATOM 0 HA THR A 70 11.456 -7.686 10.325 1.00 0.00 H new ATOM 0 HB THR A 70 9.340 -7.722 12.490 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.420 -5.758 13.202 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.287 -7.838 13.993 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.243 -9.214 12.865 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.371 -7.867 12.582 1.00 0.00 H new ATOM 1047 N LEU A 71 10.628 -9.945 9.512 1.00 0.00 N ATOM 1048 CA LEU A 71 10.177 -11.251 9.081 1.00 0.00 C ATOM 1049 C LEU A 71 10.919 -12.374 9.787 1.00 0.00 C ATOM 1050 O LEU A 71 12.138 -12.510 9.673 1.00 0.00 O ATOM 1051 CB LEU A 71 10.333 -11.377 7.565 1.00 0.00 C ATOM 1052 CG LEU A 71 9.920 -12.721 6.958 1.00 0.00 C ATOM 1053 CD1 LEU A 71 8.538 -13.138 7.436 1.00 0.00 C ATOM 1054 CD2 LEU A 71 9.937 -12.623 5.447 1.00 0.00 C ATOM 0 H LEU A 71 11.458 -9.604 9.028 1.00 0.00 H new ATOM 0 HA LEU A 71 9.125 -11.346 9.348 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.744 -10.591 7.092 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.376 -11.191 7.310 1.00 0.00 H new ATOM 0 HG LEU A 71 10.632 -13.479 7.284 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.272 -14.096 6.989 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.542 -13.233 8.522 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.808 -12.384 7.141 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.643 -13.580 5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.239 -11.851 5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.942 -12.367 5.110 1.00 0.00 H new ATOM 1066 N ASP A 72 10.157 -13.163 10.529 1.00 0.00 N ATOM 1067 CA ASP A 72 10.663 -14.387 11.133 1.00 0.00 C ATOM 1068 C ASP A 72 11.039 -15.379 10.042 1.00 0.00 C ATOM 1069 O ASP A 72 12.186 -15.819 9.949 1.00 0.00 O ATOM 1070 CB ASP A 72 9.602 -14.994 12.057 1.00 0.00 C ATOM 1071 CG ASP A 72 9.953 -16.395 12.520 1.00 0.00 C ATOM 1072 OD1 ASP A 72 10.701 -16.526 13.507 1.00 0.00 O ATOM 1073 OD2 ASP A 72 9.469 -17.368 11.908 1.00 0.00 O ATOM 0 H ASP A 72 9.175 -12.975 10.729 1.00 0.00 H new ATOM 0 HA ASP A 72 11.549 -14.155 11.724 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.475 -14.350 12.928 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.645 -15.018 11.536 1.00 0.00 H new ATOM 1078 N GLY A 73 10.071 -15.695 9.197 1.00 0.00 N ATOM 1079 CA GLY A 73 10.302 -16.637 8.124 1.00 0.00 C ATOM 1080 C GLY A 73 9.750 -18.002 8.453 1.00 0.00 C ATOM 1081 O GLY A 73 10.445 -19.009 8.330 1.00 0.00 O ATOM 0 H GLY A 73 9.126 -15.314 9.236 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.839 -16.268 7.209 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.372 -16.714 7.931 1.00 0.00 H new ATOM 1085 N THR A 74 8.497 -18.031 8.874 1.00 0.00 N ATOM 1086 CA THR A 74 7.851 -19.264 9.279 1.00 0.00 C ATOM 1087 C THR A 74 7.344 -20.031 8.057 1.00 0.00 C ATOM 1088 O THR A 74 7.273 -21.261 8.061 1.00 0.00 O ATOM 1089 CB THR A 74 6.677 -18.961 10.224 1.00 0.00 C ATOM 1090 OG1 THR A 74 7.022 -17.863 11.084 1.00 0.00 O ATOM 1091 CG2 THR A 74 6.329 -20.177 11.068 1.00 0.00 C ATOM 0 H THR A 74 7.903 -17.205 8.944 1.00 0.00 H new ATOM 0 HA THR A 74 8.583 -19.879 9.802 1.00 0.00 H new ATOM 0 HB THR A 74 5.808 -18.700 9.620 1.00 0.00 H new ATOM 0 HG1 THR A 74 7.931 -17.989 11.427 1.00 0.00 H new ATOM 0 HG21 THR A 74 5.495 -19.936 11.728 1.00 0.00 H new ATOM 0 HG22 THR A 74 6.048 -21.004 10.416 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.194 -20.464 11.666 1.00 0.00 H new ATOM 1099 N ALA A 75 7.004 -19.295 7.009 1.00 0.00 N ATOM 1100 CA ALA A 75 6.513 -19.895 5.781 1.00 0.00 C ATOM 1101 C ALA A 75 7.374 -19.472 4.598 1.00 0.00 C ATOM 1102 O ALA A 75 8.109 -18.488 4.677 1.00 0.00 O ATOM 1103 CB ALA A 75 5.062 -19.505 5.548 1.00 0.00 C ATOM 0 H ALA A 75 7.060 -18.277 6.987 1.00 0.00 H new ATOM 0 HA ALA A 75 6.571 -20.979 5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.706 -19.961 4.624 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.453 -19.853 6.382 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.985 -18.421 5.470 1.00 0.00 H new ATOM 1109 N ASN A 76 7.278 -20.214 3.504 1.00 0.00 N ATOM 1110 CA ASN A 76 8.036 -19.904 2.297 1.00 0.00 C ATOM 1111 C ASN A 76 7.180 -19.125 1.311 1.00 0.00 C ATOM 1112 O ASN A 76 7.643 -18.733 0.239 1.00 0.00 O ATOM 1113 CB ASN A 76 8.560 -21.188 1.645 1.00 0.00 C ATOM 1114 CG ASN A 76 9.823 -21.703 2.310 1.00 0.00 C ATOM 1115 OD1 ASN A 76 10.658 -20.925 2.775 1.00 0.00 O ATOM 1116 ND2 ASN A 76 9.970 -23.017 2.371 1.00 0.00 N ATOM 0 H ASN A 76 6.681 -21.038 3.426 1.00 0.00 H new ATOM 0 HA ASN A 76 8.888 -19.285 2.580 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.789 -21.957 1.692 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.759 -21.001 0.590 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.797 -23.418 2.814 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.257 -23.629 1.975 1.00 0.00 H new ATOM 1123 N SER A 77 5.923 -18.911 1.672 1.00 0.00 N ATOM 1124 CA SER A 77 5.010 -18.124 0.859 1.00 0.00 C ATOM 1125 C SER A 77 3.988 -17.414 1.740 1.00 0.00 C ATOM 1126 O SER A 77 3.154 -18.052 2.386 1.00 0.00 O ATOM 1127 CB SER A 77 4.308 -19.015 -0.169 1.00 0.00 C ATOM 1128 OG SER A 77 5.254 -19.629 -1.029 1.00 0.00 O ATOM 0 H SER A 77 5.510 -19.276 2.531 1.00 0.00 H new ATOM 0 HA SER A 77 5.585 -17.368 0.324 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.725 -19.780 0.343 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.608 -18.420 -0.756 1.00 0.00 H new ATOM 0 HG SER A 77 4.787 -20.196 -1.678 1.00 0.00 H new ATOM 1134 N TYR A 78 4.083 -16.096 1.786 1.00 0.00 N ATOM 1135 CA TYR A 78 3.160 -15.284 2.566 1.00 0.00 C ATOM 1136 C TYR A 78 2.167 -14.559 1.668 1.00 0.00 C ATOM 1137 O TYR A 78 2.476 -14.215 0.525 1.00 0.00 O ATOM 1138 CB TYR A 78 3.928 -14.264 3.409 1.00 0.00 C ATOM 1139 CG TYR A 78 4.565 -14.847 4.646 1.00 0.00 C ATOM 1140 CD1 TYR A 78 5.829 -15.423 4.605 1.00 0.00 C ATOM 1141 CD2 TYR A 78 3.897 -14.818 5.861 1.00 0.00 C ATOM 1142 CE1 TYR A 78 6.406 -15.953 5.744 1.00 0.00 C ATOM 1143 CE2 TYR A 78 4.465 -15.345 7.001 1.00 0.00 C ATOM 1144 CZ TYR A 78 5.718 -15.910 6.939 1.00 0.00 C ATOM 1145 OH TYR A 78 6.282 -16.442 8.077 1.00 0.00 O ATOM 0 H TYR A 78 4.795 -15.561 1.289 1.00 0.00 H new ATOM 0 HA TYR A 78 2.606 -15.954 3.224 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.704 -13.809 2.793 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.247 -13.466 3.705 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.368 -15.457 3.670 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.914 -14.374 5.915 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.389 -16.398 5.699 1.00 0.00 H new ATOM 0 HE2 TYR A 78 3.929 -15.315 7.938 1.00 0.00 H new ATOM 0 HH TYR A 78 5.666 -16.328 8.831 1.00 0.00 H new ATOM 1155 N THR A 79 0.975 -14.333 2.193 1.00 0.00 N ATOM 1156 CA THR A 79 -0.039 -13.573 1.486 1.00 0.00 C ATOM 1157 C THR A 79 -0.052 -12.134 1.988 1.00 0.00 C ATOM 1158 O THR A 79 -0.634 -11.835 3.031 1.00 0.00 O ATOM 1159 CB THR A 79 -1.442 -14.189 1.674 1.00 0.00 C ATOM 1160 OG1 THR A 79 -1.453 -15.550 1.221 1.00 0.00 O ATOM 1161 CG2 THR A 79 -2.492 -13.394 0.913 1.00 0.00 C ATOM 0 H THR A 79 0.685 -14.668 3.112 1.00 0.00 H new ATOM 0 HA THR A 79 0.208 -13.597 0.425 1.00 0.00 H new ATOM 0 HB THR A 79 -1.681 -14.158 2.737 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.348 -15.930 1.347 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.471 -13.849 1.062 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.509 -12.368 1.281 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.249 -13.395 -0.150 1.00 0.00 H new ATOM 1169 N LEU A 80 0.606 -11.248 1.264 1.00 0.00 N ATOM 1170 CA LEU A 80 0.652 -9.855 1.653 1.00 0.00 C ATOM 1171 C LEU A 80 -0.444 -9.074 0.954 1.00 0.00 C ATOM 1172 O LEU A 80 -0.657 -9.207 -0.249 1.00 0.00 O ATOM 1173 CB LEU A 80 2.024 -9.252 1.369 1.00 0.00 C ATOM 1174 CG LEU A 80 2.964 -9.202 2.578 1.00 0.00 C ATOM 1175 CD1 LEU A 80 3.163 -10.586 3.181 1.00 0.00 C ATOM 1176 CD2 LEU A 80 4.297 -8.600 2.181 1.00 0.00 C ATOM 0 H LEU A 80 1.113 -11.469 0.407 1.00 0.00 H new ATOM 0 HA LEU A 80 0.482 -9.794 2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.503 -9.829 0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.889 -8.239 0.989 1.00 0.00 H new ATOM 0 HG LEU A 80 2.504 -8.571 3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.835 -10.517 4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.201 -10.983 3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.596 -11.250 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.956 -8.570 3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.753 -9.209 1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.142 -7.588 1.808 1.00 0.00 H new ATOM 1188 N THR A 81 -1.157 -8.284 1.727 1.00 0.00 N ATOM 1189 CA THR A 81 -2.286 -7.540 1.220 1.00 0.00 C ATOM 1190 C THR A 81 -2.174 -6.074 1.618 1.00 0.00 C ATOM 1191 O THR A 81 -2.214 -5.737 2.800 1.00 0.00 O ATOM 1192 CB THR A 81 -3.607 -8.125 1.759 1.00 0.00 C ATOM 1193 OG1 THR A 81 -3.616 -9.549 1.580 1.00 0.00 O ATOM 1194 CG2 THR A 81 -4.804 -7.518 1.043 1.00 0.00 C ATOM 0 H THR A 81 -0.971 -8.141 2.720 1.00 0.00 H new ATOM 0 HA THR A 81 -2.285 -7.617 0.133 1.00 0.00 H new ATOM 0 HB THR A 81 -3.678 -7.885 2.820 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.456 -9.917 1.925 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.723 -7.948 1.442 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.811 -6.439 1.197 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.737 -7.732 -0.024 1.00 0.00 H new ATOM 1202 N VAL A 82 -2.000 -5.212 0.633 1.00 0.00 N ATOM 1203 CA VAL A 82 -1.944 -3.784 0.884 1.00 0.00 C ATOM 1204 C VAL A 82 -3.350 -3.208 0.891 1.00 0.00 C ATOM 1205 O VAL A 82 -4.010 -3.156 -0.148 1.00 0.00 O ATOM 1206 CB VAL A 82 -1.088 -3.049 -0.173 1.00 0.00 C ATOM 1207 CG1 VAL A 82 -1.056 -1.553 0.105 1.00 0.00 C ATOM 1208 CG2 VAL A 82 0.323 -3.614 -0.209 1.00 0.00 C ATOM 0 H VAL A 82 -1.895 -5.475 -0.347 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.476 -3.636 1.857 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.546 -3.206 -1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.448 -1.055 -0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.070 -1.155 0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.626 -1.375 1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.909 -3.083 -0.959 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.789 -3.491 0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.284 -4.673 -0.462 1.00 0.00 H new ATOM 1218 N ASN A 83 -3.824 -2.818 2.065 1.00 0.00 N ATOM 1219 CA ASN A 83 -5.130 -2.188 2.172 1.00 0.00 C ATOM 1220 C ASN A 83 -4.953 -0.699 2.391 1.00 0.00 C ATOM 1221 O ASN A 83 -4.403 -0.269 3.410 1.00 0.00 O ATOM 1222 CB ASN A 83 -5.955 -2.796 3.311 1.00 0.00 C ATOM 1223 CG ASN A 83 -7.352 -2.202 3.394 1.00 0.00 C ATOM 1224 OD1 ASN A 83 -8.279 -2.676 2.738 1.00 0.00 O ATOM 1225 ND2 ASN A 83 -7.515 -1.167 4.206 1.00 0.00 N ATOM 0 H ASN A 83 -3.328 -2.926 2.950 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.674 -2.362 1.243 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.029 -3.874 3.167 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.438 -2.635 4.257 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.434 -0.735 4.304 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.722 -0.803 4.733 1.00 0.00 H new ATOM 1232 N VAL A 84 -5.396 0.080 1.426 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.238 1.516 1.480 1.00 0.00 C ATOM 1234 C VAL A 84 -6.336 2.164 2.322 1.00 0.00 C ATOM 1235 O VAL A 84 -7.519 2.107 1.987 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.199 2.125 0.064 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -5.180 3.640 0.122 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -3.984 1.608 -0.695 1.00 0.00 C ATOM 0 H VAL A 84 -5.871 -0.261 0.590 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.282 1.723 1.962 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.103 1.820 -0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.153 4.043 -0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.076 3.996 0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.297 3.972 0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.966 2.044 -1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.076 1.887 -0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.039 0.522 -0.774 1.00 0.00 H new ATOM 1248 N ASP A 85 -5.900 2.736 3.439 1.00 0.00 N ATOM 1249 CA ASP A 85 -6.746 3.477 4.375 1.00 0.00 C ATOM 1250 C ASP A 85 -7.817 2.595 5.013 1.00 0.00 C ATOM 1251 O ASP A 85 -8.921 2.451 4.489 1.00 0.00 O ATOM 1252 CB ASP A 85 -7.383 4.700 3.711 1.00 0.00 C ATOM 1253 CG ASP A 85 -7.974 5.657 4.730 1.00 0.00 C ATOM 1254 OD1 ASP A 85 -7.934 5.342 5.940 1.00 0.00 O ATOM 1255 OD2 ASP A 85 -8.470 6.728 4.332 1.00 0.00 O ATOM 0 H ASP A 85 -4.923 2.698 3.729 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.090 3.824 5.173 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.633 5.221 3.116 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.164 4.374 3.024 1.00 0.00 H new ATOM 1260 N PRO A 86 -7.495 1.982 6.162 1.00 0.00 N ATOM 1261 CA PRO A 86 -8.445 1.202 6.943 1.00 0.00 C ATOM 1262 C PRO A 86 -9.266 2.089 7.877 1.00 0.00 C ATOM 1263 O PRO A 86 -10.207 1.630 8.529 1.00 0.00 O ATOM 1264 CB PRO A 86 -7.556 0.248 7.756 1.00 0.00 C ATOM 1265 CG PRO A 86 -6.137 0.642 7.471 1.00 0.00 C ATOM 1266 CD PRO A 86 -6.177 1.983 6.793 1.00 0.00 C ATOM 0 HA PRO A 86 -9.168 0.685 6.313 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.774 0.327 8.821 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -7.736 -0.788 7.470 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -5.559 0.694 8.394 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -5.653 -0.098 6.833 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.069 2.801 7.506 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.377 2.091 6.061 1.00 0.00 H new ATOM 1274 N GLU A 87 -8.900 3.365 7.939 1.00 0.00 N ATOM 1275 CA GLU A 87 -9.595 4.319 8.789 1.00 0.00 C ATOM 1276 C GLU A 87 -10.688 5.015 7.993 1.00 0.00 C ATOM 1277 O GLU A 87 -11.593 5.633 8.563 1.00 0.00 O ATOM 1278 CB GLU A 87 -8.615 5.355 9.347 1.00 0.00 C ATOM 1279 CG GLU A 87 -7.499 4.757 10.188 1.00 0.00 C ATOM 1280 CD GLU A 87 -6.602 5.812 10.805 1.00 0.00 C ATOM 1281 OE1 GLU A 87 -6.983 6.384 11.850 1.00 0.00 O ATOM 1282 OE2 GLU A 87 -5.507 6.064 10.262 1.00 0.00 O ATOM 0 H GLU A 87 -8.124 3.761 7.409 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.043 3.781 9.624 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.175 5.908 8.517 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.167 6.074 9.952 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.933 4.147 10.980 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.898 4.093 9.567 1.00 0.00 H new ATOM 1289 N ASN A 88 -10.580 4.904 6.672 1.00 0.00 N ATOM 1290 CA ASN A 88 -11.521 5.517 5.743 1.00 0.00 C ATOM 1291 C ASN A 88 -11.567 7.019 5.985 1.00 0.00 C ATOM 1292 O ASN A 88 -12.622 7.600 6.247 1.00 0.00 O ATOM 1293 CB ASN A 88 -12.915 4.890 5.872 1.00 0.00 C ATOM 1294 CG ASN A 88 -13.778 5.124 4.643 1.00 0.00 C ATOM 1295 OD1 ASN A 88 -14.516 6.106 4.561 1.00 0.00 O ATOM 1296 ND2 ASN A 88 -13.692 4.218 3.679 1.00 0.00 N ATOM 0 H ASN A 88 -9.832 4.383 6.214 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.181 5.335 4.723 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -12.813 3.818 6.041 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.416 5.304 6.747 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -14.250 4.321 2.831 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -13.068 3.418 3.785 1.00 0.00 H new ATOM 1303 N ALA A 89 -10.397 7.630 5.928 1.00 0.00 N ATOM 1304 CA ALA A 89 -10.258 9.058 6.125 1.00 0.00 C ATOM 1305 C ALA A 89 -10.302 9.766 4.784 1.00 0.00 C ATOM 1306 O ALA A 89 -10.735 10.915 4.683 1.00 0.00 O ATOM 1307 CB ALA A 89 -8.961 9.367 6.856 1.00 0.00 C ATOM 0 H ALA A 89 -9.517 7.148 5.744 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.085 9.417 6.738 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.870 10.444 6.997 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.964 8.873 7.828 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.117 9.006 6.268 1.00 0.00 H new ATOM 1313 N VAL A 90 -9.838 9.071 3.756 1.00 0.00 N ATOM 1314 CA VAL A 90 -9.938 9.560 2.394 1.00 0.00 C ATOM 1315 C VAL A 90 -10.946 8.718 1.625 1.00 0.00 C ATOM 1316 O VAL A 90 -10.653 7.593 1.224 1.00 0.00 O ATOM 1317 CB VAL A 90 -8.575 9.530 1.666 1.00 0.00 C ATOM 1318 CG1 VAL A 90 -8.702 10.115 0.267 1.00 0.00 C ATOM 1319 CG2 VAL A 90 -7.521 10.280 2.466 1.00 0.00 C ATOM 0 H VAL A 90 -9.386 8.161 3.843 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.267 10.598 2.437 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.259 8.491 1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -7.732 10.085 -0.229 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.422 9.532 -0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.043 11.148 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.569 10.246 1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.830 11.318 2.592 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.407 9.814 3.445 1.00 0.00 H new ATOM 1329 N ASN A 91 -12.148 9.254 1.460 1.00 0.00 N ATOM 1330 CA ASN A 91 -13.211 8.554 0.749 1.00 0.00 C ATOM 1331 C ASN A 91 -12.827 8.366 -0.714 1.00 0.00 C ATOM 1332 O ASN A 91 -12.423 9.318 -1.383 1.00 0.00 O ATOM 1333 CB ASN A 91 -14.524 9.331 0.862 1.00 0.00 C ATOM 1334 CG ASN A 91 -15.701 8.605 0.235 1.00 0.00 C ATOM 1335 OD1 ASN A 91 -15.745 7.375 0.194 1.00 0.00 O ATOM 1336 ND2 ASN A 91 -16.670 9.366 -0.245 1.00 0.00 N ATOM 0 H ASN A 91 -12.412 10.175 1.810 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.350 7.572 1.201 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -14.739 9.519 1.914 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -14.407 10.303 0.382 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -17.493 8.937 -0.669 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -16.595 10.382 -0.191 1.00 0.00 H new ATOM 1343 N GLU A 92 -12.948 7.141 -1.198 1.00 0.00 N ATOM 1344 CA GLU A 92 -12.495 6.800 -2.537 1.00 0.00 C ATOM 1345 C GLU A 92 -13.663 6.555 -3.478 1.00 0.00 C ATOM 1346 O GLU A 92 -14.805 6.397 -3.043 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.635 5.541 -2.497 1.00 0.00 C ATOM 1348 CG GLU A 92 -10.444 5.631 -1.568 1.00 0.00 C ATOM 1349 CD GLU A 92 -9.680 4.331 -1.513 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -8.808 4.123 -2.377 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -9.972 3.505 -0.619 1.00 0.00 O ATOM 0 H GLU A 92 -13.358 6.363 -0.681 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.915 7.646 -2.906 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.257 4.700 -2.191 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.280 5.325 -3.505 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -9.781 6.429 -1.902 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.783 5.897 -0.567 1.00 0.00 H new ATOM 1358 N GLY A 93 -13.361 6.564 -4.770 1.00 0.00 N ATOM 1359 CA GLY A 93 -14.297 6.109 -5.782 1.00 0.00 C ATOM 1360 C GLY A 93 -14.713 4.667 -5.548 1.00 0.00 C ATOM 1361 O GLY A 93 -15.579 4.385 -4.715 1.00 0.00 O ATOM 0 H GLY A 93 -12.467 6.885 -5.141 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.180 6.749 -5.777 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.842 6.202 -6.768 1.00 0.00 H new ATOM 1365 N ASN A 94 -14.120 3.753 -6.299 1.00 0.00 N ATOM 1366 CA ASN A 94 -14.385 2.338 -6.110 1.00 0.00 C ATOM 1367 C ASN A 94 -13.498 1.794 -5.000 1.00 0.00 C ATOM 1368 O ASN A 94 -12.314 1.521 -5.213 1.00 0.00 O ATOM 1369 CB ASN A 94 -14.160 1.550 -7.407 1.00 0.00 C ATOM 1370 CG ASN A 94 -14.457 0.067 -7.242 1.00 0.00 C ATOM 1371 OD1 ASN A 94 -15.288 -0.325 -6.427 1.00 0.00 O ATOM 1372 ND2 ASN A 94 -13.778 -0.765 -8.016 1.00 0.00 N ATOM 0 H ASN A 94 -13.455 3.965 -7.042 1.00 0.00 H new ATOM 0 HA ASN A 94 -15.431 2.219 -5.828 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -14.794 1.960 -8.193 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -13.127 1.677 -7.732 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -13.937 -1.770 -7.947 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -13.096 -0.401 -8.681 1.00 0.00 H new ATOM 1379 N GLU A 95 -14.082 1.628 -3.822 1.00 0.00 N ATOM 1380 CA GLU A 95 -13.342 1.229 -2.624 1.00 0.00 C ATOM 1381 C GLU A 95 -12.953 -0.251 -2.652 1.00 0.00 C ATOM 1382 O GLU A 95 -12.723 -0.863 -1.612 1.00 0.00 O ATOM 1383 CB GLU A 95 -14.179 1.521 -1.379 1.00 0.00 C ATOM 1384 CG GLU A 95 -14.461 2.999 -1.168 1.00 0.00 C ATOM 1385 CD GLU A 95 -15.409 3.250 -0.013 1.00 0.00 C ATOM 1386 OE1 GLU A 95 -14.957 3.228 1.151 1.00 0.00 O ATOM 1387 OE2 GLU A 95 -16.615 3.455 -0.265 1.00 0.00 O ATOM 0 H GLU A 95 -15.081 1.765 -3.665 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.420 1.810 -2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -15.126 0.986 -1.454 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -13.661 1.130 -0.503 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.523 3.522 -0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -14.886 3.418 -2.080 1.00 0.00 H new ATOM 1394 N SER A 96 -12.888 -0.822 -3.842 1.00 0.00 N ATOM 1395 CA SER A 96 -12.413 -2.182 -4.011 1.00 0.00 C ATOM 1396 C SER A 96 -11.077 -2.176 -4.747 1.00 0.00 C ATOM 1397 O SER A 96 -10.438 -3.216 -4.919 1.00 0.00 O ATOM 1398 CB SER A 96 -13.444 -3.005 -4.780 1.00 0.00 C ATOM 1399 OG SER A 96 -14.727 -2.901 -4.183 1.00 0.00 O ATOM 0 H SER A 96 -13.160 -0.361 -4.710 1.00 0.00 H new ATOM 0 HA SER A 96 -12.270 -2.636 -3.030 1.00 0.00 H new ATOM 0 HB2 SER A 96 -13.491 -2.661 -5.813 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.135 -4.050 -4.805 1.00 0.00 H new ATOM 0 HG SER A 96 -15.370 -3.435 -4.694 1.00 0.00 H new ATOM 1405 N ASN A 97 -10.656 -0.991 -5.182 1.00 0.00 N ATOM 1406 CA ASN A 97 -9.380 -0.836 -5.877 1.00 0.00 C ATOM 1407 C ASN A 97 -8.261 -0.615 -4.875 1.00 0.00 C ATOM 1408 O ASN A 97 -7.086 -0.764 -5.196 1.00 0.00 O ATOM 1409 CB ASN A 97 -9.413 0.349 -6.850 1.00 0.00 C ATOM 1410 CG ASN A 97 -10.446 0.205 -7.948 1.00 0.00 C ATOM 1411 OD1 ASN A 97 -10.806 -0.903 -8.348 1.00 0.00 O ATOM 1412 ND2 ASN A 97 -10.920 1.332 -8.456 1.00 0.00 N ATOM 0 H ASN A 97 -11.180 -0.124 -5.066 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.202 -1.751 -6.442 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -9.615 1.262 -6.290 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -8.428 0.464 -7.302 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -11.610 1.303 -9.207 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -10.596 2.230 -8.096 1.00 0.00 H new ATOM 1419 N ASN A 98 -8.651 -0.289 -3.652 1.00 0.00 N ATOM 1420 CA ASN A 98 -7.711 0.094 -2.600 1.00 0.00 C ATOM 1421 C ASN A 98 -7.000 -1.120 -2.010 1.00 0.00 C ATOM 1422 O ASN A 98 -6.196 -0.991 -1.086 1.00 0.00 O ATOM 1423 CB ASN A 98 -8.454 0.834 -1.485 1.00 0.00 C ATOM 1424 CG ASN A 98 -9.343 -0.082 -0.661 1.00 0.00 C ATOM 1425 OD1 ASN A 98 -9.867 -1.082 -1.158 1.00 0.00 O ATOM 1426 ND2 ASN A 98 -9.515 0.254 0.606 1.00 0.00 N ATOM 0 H ASN A 98 -9.627 -0.281 -3.357 1.00 0.00 H new ATOM 0 HA ASN A 98 -6.960 0.745 -3.048 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -7.729 1.315 -0.829 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -9.062 1.625 -1.923 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -10.099 -0.322 1.212 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -9.063 1.090 0.978 1.00 0.00 H new ATOM 1433 N THR A 99 -7.297 -2.295 -2.536 1.00 0.00 N ATOM 1434 CA THR A 99 -6.719 -3.516 -2.014 1.00 0.00 C ATOM 1435 C THR A 99 -5.799 -4.169 -3.043 1.00 0.00 C ATOM 1436 O THR A 99 -6.034 -4.086 -4.250 1.00 0.00 O ATOM 1437 CB THR A 99 -7.816 -4.511 -1.608 1.00 0.00 C ATOM 1438 OG1 THR A 99 -8.962 -3.802 -1.112 1.00 0.00 O ATOM 1439 CG2 THR A 99 -7.315 -5.463 -0.535 1.00 0.00 C ATOM 0 H THR A 99 -7.933 -2.427 -3.322 1.00 0.00 H new ATOM 0 HA THR A 99 -6.135 -3.250 -1.133 1.00 0.00 H new ATOM 0 HB THR A 99 -8.092 -5.088 -2.490 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.658 -4.443 -0.857 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.110 -6.158 -0.265 1.00 0.00 H new ATOM 0 HG22 THR A 99 -6.459 -6.021 -0.915 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.015 -4.894 0.345 1.00 0.00 H new ATOM 1447 N LEU A 100 -4.758 -4.813 -2.545 1.00 0.00 N ATOM 1448 CA LEU A 100 -3.785 -5.500 -3.384 1.00 0.00 C ATOM 1449 C LEU A 100 -3.316 -6.776 -2.696 1.00 0.00 C ATOM 1450 O LEU A 100 -2.512 -6.728 -1.764 1.00 0.00 O ATOM 1451 CB LEU A 100 -2.578 -4.596 -3.667 1.00 0.00 C ATOM 1452 CG LEU A 100 -1.443 -5.245 -4.464 1.00 0.00 C ATOM 1453 CD1 LEU A 100 -1.862 -5.480 -5.908 1.00 0.00 C ATOM 1454 CD2 LEU A 100 -0.195 -4.382 -4.401 1.00 0.00 C ATOM 0 H LEU A 100 -4.561 -4.876 -1.546 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.264 -5.751 -4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.924 -3.717 -4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.177 -4.246 -2.716 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.218 -6.213 -4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.040 -5.942 -6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.730 -6.139 -5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.117 -4.527 -6.372 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.604 -4.855 -4.972 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.410 -3.400 -4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.118 -4.270 -3.363 1.00 0.00 H new ATOM 1466 N THR A 101 -3.842 -7.903 -3.136 1.00 0.00 N ATOM 1467 CA THR A 101 -3.453 -9.190 -2.587 1.00 0.00 C ATOM 1468 C THR A 101 -2.373 -9.822 -3.457 1.00 0.00 C ATOM 1469 O THR A 101 -2.635 -10.215 -4.596 1.00 0.00 O ATOM 1470 CB THR A 101 -4.660 -10.141 -2.498 1.00 0.00 C ATOM 1471 OG1 THR A 101 -5.781 -9.449 -1.934 1.00 0.00 O ATOM 1472 CG2 THR A 101 -4.333 -11.364 -1.653 1.00 0.00 C ATOM 0 H THR A 101 -4.543 -7.954 -3.875 1.00 0.00 H new ATOM 0 HA THR A 101 -3.066 -9.025 -1.582 1.00 0.00 H new ATOM 0 HB THR A 101 -4.905 -10.477 -3.505 1.00 0.00 H new ATOM 0 HG1 THR A 101 -6.548 -10.057 -1.881 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.204 -12.018 -1.607 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.498 -11.903 -2.100 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.063 -11.048 -0.645 1.00 0.00 H new ATOM 1480 N ALA A 102 -1.162 -9.900 -2.927 1.00 0.00 N ATOM 1481 CA ALA A 102 -0.041 -10.451 -3.668 1.00 0.00 C ATOM 1482 C ALA A 102 0.670 -11.524 -2.858 1.00 0.00 C ATOM 1483 O ALA A 102 0.863 -11.379 -1.649 1.00 0.00 O ATOM 1484 CB ALA A 102 0.935 -9.348 -4.049 1.00 0.00 C ATOM 0 H ALA A 102 -0.931 -9.587 -1.984 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.428 -10.909 -4.578 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.770 -9.776 -4.604 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.426 -8.611 -4.670 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.309 -8.865 -3.146 1.00 0.00 H new ATOM 1490 N LEU A 103 1.052 -12.603 -3.522 1.00 0.00 N ATOM 1491 CA LEU A 103 1.784 -13.674 -2.868 1.00 0.00 C ATOM 1492 C LEU A 103 3.274 -13.399 -2.909 1.00 0.00 C ATOM 1493 O LEU A 103 3.861 -13.252 -3.983 1.00 0.00 O ATOM 1494 CB LEU A 103 1.491 -15.019 -3.527 1.00 0.00 C ATOM 1495 CG LEU A 103 0.094 -15.577 -3.274 1.00 0.00 C ATOM 1496 CD1 LEU A 103 -0.088 -16.899 -4.000 1.00 0.00 C ATOM 1497 CD2 LEU A 103 -0.143 -15.751 -1.782 1.00 0.00 C ATOM 0 H LEU A 103 0.867 -12.760 -4.513 1.00 0.00 H new ATOM 0 HA LEU A 103 1.456 -13.717 -1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.635 -14.917 -4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.224 -15.745 -3.175 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.639 -14.869 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.090 -17.284 -3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.045 -16.747 -5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.651 -17.616 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.144 -16.150 -1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.595 -16.442 -1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.050 -14.786 -1.284 1.00 0.00 H new ATOM 1509 N VAL A 104 3.873 -13.332 -1.739 1.00 0.00 N ATOM 1510 CA VAL A 104 5.299 -13.092 -1.630 1.00 0.00 C ATOM 1511 C VAL A 104 5.989 -14.326 -1.066 1.00 0.00 C ATOM 1512 O VAL A 104 5.653 -14.809 0.015 1.00 0.00 O ATOM 1513 CB VAL A 104 5.622 -11.843 -0.769 1.00 0.00 C ATOM 1514 CG1 VAL A 104 5.081 -10.585 -1.426 1.00 0.00 C ATOM 1515 CG2 VAL A 104 5.060 -11.971 0.635 1.00 0.00 C ATOM 0 H VAL A 104 3.393 -13.441 -0.845 1.00 0.00 H new ATOM 0 HA VAL A 104 5.678 -12.891 -2.632 1.00 0.00 H new ATOM 0 HB VAL A 104 6.707 -11.772 -0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.318 -9.720 -0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.537 -10.463 -2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 104 4.000 -10.668 -1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 104 5.306 -11.077 1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.977 -12.083 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.493 -12.845 1.122 1.00 0.00 H new ATOM 1525 N GLY A 105 6.926 -14.859 -1.823 1.00 0.00 N ATOM 1526 CA GLY A 105 7.611 -16.059 -1.402 1.00 0.00 C ATOM 1527 C GLY A 105 8.990 -15.743 -0.891 1.00 0.00 C ATOM 1528 O GLY A 105 9.424 -14.598 -0.964 1.00 0.00 O ATOM 0 H GLY A 105 7.227 -14.484 -2.723 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.035 -16.555 -0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.680 -16.755 -2.238 1.00 0.00 H new ATOM 1532 N THR A 106 9.679 -16.732 -0.363 1.00 0.00 N ATOM 1533 CA THR A 106 11.043 -16.527 0.070 1.00 0.00 C ATOM 1534 C THR A 106 11.959 -16.413 -1.144 1.00 0.00 C ATOM 1535 O THR A 106 11.629 -16.909 -2.223 1.00 0.00 O ATOM 1536 CB THR A 106 11.504 -17.645 1.020 1.00 0.00 C ATOM 1537 OG1 THR A 106 11.189 -18.934 0.473 1.00 0.00 O ATOM 1538 CG2 THR A 106 10.836 -17.491 2.380 1.00 0.00 C ATOM 0 H THR A 106 9.321 -17.677 -0.224 1.00 0.00 H new ATOM 0 HA THR A 106 11.094 -15.594 0.631 1.00 0.00 H new ATOM 0 HB THR A 106 12.585 -17.566 1.139 1.00 0.00 H new ATOM 0 HG1 THR A 106 11.022 -19.567 1.202 1.00 0.00 H new ATOM 0 HG21 THR A 106 11.171 -18.289 3.043 1.00 0.00 H new ATOM 0 HG22 THR A 106 11.104 -16.526 2.810 1.00 0.00 H new ATOM 0 HG23 THR A 106 9.754 -17.548 2.262 1.00 0.00 H new ATOM 1546 N LEU A 107 13.085 -15.732 -0.975 1.00 0.00 N ATOM 1547 CA LEU A 107 13.965 -15.410 -2.092 1.00 0.00 C ATOM 1548 C LEU A 107 14.489 -16.659 -2.789 1.00 0.00 C ATOM 1549 O LEU A 107 15.319 -17.393 -2.246 1.00 0.00 O ATOM 1550 CB LEU A 107 15.135 -14.545 -1.621 1.00 0.00 C ATOM 1551 CG LEU A 107 16.063 -14.053 -2.735 1.00 0.00 C ATOM 1552 CD1 LEU A 107 15.309 -13.157 -3.704 1.00 0.00 C ATOM 1553 CD2 LEU A 107 17.257 -13.316 -2.148 1.00 0.00 C ATOM 0 H LEU A 107 13.412 -15.390 -0.071 1.00 0.00 H new ATOM 0 HA LEU A 107 13.371 -14.852 -2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 107 14.738 -13.680 -1.091 1.00 0.00 H new ATOM 0 HB3 LEU A 107 15.724 -15.116 -0.903 1.00 0.00 H new ATOM 0 HG LEU A 107 16.429 -14.921 -3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 107 15.986 -12.818 -4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 107 14.487 -13.715 -4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 107 14.913 -12.294 -3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 107 17.906 -12.974 -2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 107 16.908 -12.458 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 107 17.814 -13.988 -1.495 1.00 0.00 H new ATOM 1565 N GLU A 108 13.979 -16.898 -3.986 1.00 0.00 N ATOM 1566 CA GLU A 108 14.481 -17.957 -4.845 1.00 0.00 C ATOM 1567 C GLU A 108 15.396 -17.345 -5.897 1.00 0.00 C ATOM 1568 O GLU A 108 14.943 -16.592 -6.758 1.00 0.00 O ATOM 1569 CB GLU A 108 13.322 -18.691 -5.519 1.00 0.00 C ATOM 1570 CG GLU A 108 12.309 -19.259 -4.538 1.00 0.00 C ATOM 1571 CD GLU A 108 11.118 -19.885 -5.229 1.00 0.00 C ATOM 1572 OE1 GLU A 108 10.300 -19.137 -5.808 1.00 0.00 O ATOM 1573 OE2 GLU A 108 10.989 -21.129 -5.196 1.00 0.00 O ATOM 0 H GLU A 108 13.208 -16.365 -4.388 1.00 0.00 H new ATOM 0 HA GLU A 108 15.038 -18.678 -4.246 1.00 0.00 H new ATOM 0 HB2 GLU A 108 12.814 -18.005 -6.197 1.00 0.00 H new ATOM 0 HB3 GLU A 108 13.721 -19.503 -6.127 1.00 0.00 H new ATOM 0 HG2 GLU A 108 12.795 -20.007 -3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.964 -18.464 -3.876 1.00 0.00 H new ATOM 1580 N HIS A 109 16.681 -17.646 -5.810 1.00 0.00 N ATOM 1581 CA HIS A 109 17.665 -17.036 -6.692 1.00 0.00 C ATOM 1582 C HIS A 109 17.906 -17.929 -7.902 1.00 0.00 C ATOM 1583 O HIS A 109 17.907 -19.150 -7.780 1.00 0.00 O ATOM 1584 CB HIS A 109 18.977 -16.823 -5.932 1.00 0.00 C ATOM 1585 CG HIS A 109 19.848 -15.735 -6.487 1.00 0.00 C ATOM 1586 ND1 HIS A 109 20.802 -15.940 -7.464 1.00 0.00 N ATOM 1587 CD2 HIS A 109 19.921 -14.421 -6.168 1.00 0.00 C ATOM 1588 CE1 HIS A 109 21.423 -14.802 -7.714 1.00 0.00 C ATOM 1589 NE2 HIS A 109 20.906 -13.866 -6.943 1.00 0.00 N ATOM 0 H HIS A 109 17.068 -18.309 -5.138 1.00 0.00 H new ATOM 0 HA HIS A 109 17.288 -16.072 -7.034 1.00 0.00 H new ATOM 0 HB2 HIS A 109 18.746 -16.591 -4.892 1.00 0.00 H new ATOM 0 HB3 HIS A 109 19.539 -17.757 -5.933 1.00 0.00 H new ATOM 0 HD1 HIS A 109 20.996 -16.831 -7.921 1.00 0.00 H new ATOM 0 HD2 HIS A 109 19.315 -13.905 -5.438 1.00 0.00 H new ATOM 0 HE1 HIS A 109 22.220 -14.662 -8.429 1.00 0.00 H new ATOM 1598 N HIS A 110 18.106 -17.325 -9.065 1.00 0.00 N ATOM 1599 CA HIS A 110 18.420 -18.088 -10.265 1.00 0.00 C ATOM 1600 C HIS A 110 19.844 -18.615 -10.159 1.00 0.00 C ATOM 1601 O HIS A 110 20.731 -17.926 -9.649 1.00 0.00 O ATOM 1602 CB HIS A 110 18.259 -17.214 -11.520 1.00 0.00 C ATOM 1603 CG HIS A 110 18.347 -17.969 -12.820 1.00 0.00 C ATOM 1604 ND1 HIS A 110 17.244 -18.271 -13.589 1.00 0.00 N ATOM 1605 CD2 HIS A 110 19.413 -18.469 -13.493 1.00 0.00 C ATOM 1606 CE1 HIS A 110 17.625 -18.922 -14.670 1.00 0.00 C ATOM 1607 NE2 HIS A 110 18.936 -19.057 -14.639 1.00 0.00 N ATOM 0 H HIS A 110 18.057 -16.316 -9.203 1.00 0.00 H new ATOM 0 HA HIS A 110 17.729 -18.926 -10.352 1.00 0.00 H new ATOM 0 HB2 HIS A 110 17.295 -16.707 -11.473 1.00 0.00 H new ATOM 0 HB3 HIS A 110 19.027 -16.441 -11.510 1.00 0.00 H new ATOM 0 HD2 HIS A 110 20.447 -18.415 -13.185 1.00 0.00 H new ATOM 0 HE1 HIS A 110 16.972 -19.284 -15.451 1.00 0.00 H new ATOM 0 HE2 HIS A 110 19.503 -19.521 -15.349 1.00 0.00 H new ATOM 1616 N HIS A 111 20.056 -19.844 -10.601 1.00 0.00 N ATOM 1617 CA HIS A 111 21.383 -20.442 -10.575 1.00 0.00 C ATOM 1618 C HIS A 111 21.680 -21.099 -11.912 1.00 0.00 C ATOM 1619 O HIS A 111 20.793 -21.237 -12.755 1.00 0.00 O ATOM 1620 CB HIS A 111 21.499 -21.492 -9.461 1.00 0.00 C ATOM 1621 CG HIS A 111 21.176 -20.988 -8.087 1.00 0.00 C ATOM 1622 ND1 HIS A 111 22.042 -20.226 -7.331 1.00 0.00 N ATOM 1623 CD2 HIS A 111 20.064 -21.144 -7.336 1.00 0.00 C ATOM 1624 CE1 HIS A 111 21.474 -19.938 -6.175 1.00 0.00 C ATOM 1625 NE2 HIS A 111 20.271 -20.481 -6.154 1.00 0.00 N ATOM 0 H HIS A 111 19.327 -20.448 -10.982 1.00 0.00 H new ATOM 0 HA HIS A 111 22.104 -19.648 -10.381 1.00 0.00 H new ATOM 0 HB2 HIS A 111 20.833 -22.323 -9.694 1.00 0.00 H new ATOM 0 HB3 HIS A 111 22.515 -21.888 -9.458 1.00 0.00 H new ATOM 0 HD2 HIS A 111 19.175 -21.690 -7.615 1.00 0.00 H new ATOM 0 HE1 HIS A 111 21.918 -19.357 -5.381 1.00 0.00 H new ATOM 0 HE2 HIS A 111 19.605 -20.418 -5.384 1.00 0.00 H new ATOM 1634 N HIS A 112 22.921 -21.504 -12.104 1.00 0.00 N ATOM 1635 CA HIS A 112 23.299 -22.253 -13.291 1.00 0.00 C ATOM 1636 C HIS A 112 22.969 -23.725 -13.083 1.00 0.00 C ATOM 1637 O HIS A 112 22.702 -24.452 -14.039 1.00 0.00 O ATOM 1638 CB HIS A 112 24.795 -22.079 -13.596 1.00 0.00 C ATOM 1639 CG HIS A 112 25.270 -22.888 -14.768 1.00 0.00 C ATOM 1640 ND1 HIS A 112 25.253 -22.422 -16.062 1.00 0.00 N ATOM 1641 CD2 HIS A 112 25.750 -24.151 -14.833 1.00 0.00 C ATOM 1642 CE1 HIS A 112 25.695 -23.366 -16.871 1.00 0.00 C ATOM 1643 NE2 HIS A 112 26.005 -24.428 -16.152 1.00 0.00 N ATOM 0 H HIS A 112 23.687 -21.328 -11.453 1.00 0.00 H new ATOM 0 HA HIS A 112 22.738 -21.871 -14.144 1.00 0.00 H new ATOM 0 HB2 HIS A 112 24.998 -21.025 -13.787 1.00 0.00 H new ATOM 0 HB3 HIS A 112 25.372 -22.360 -12.715 1.00 0.00 H new ATOM 0 HD2 HIS A 112 25.904 -24.819 -13.999 1.00 0.00 H new ATOM 0 HE1 HIS A 112 25.788 -23.283 -17.944 1.00 0.00 H new ATOM 0 HE2 HIS A 112 26.372 -25.307 -16.516 1.00 0.00 H new ATOM 1652 N HIS A 113 22.972 -24.136 -11.814 1.00 0.00 N ATOM 1653 CA HIS A 113 22.751 -25.530 -11.424 1.00 0.00 C ATOM 1654 C HIS A 113 23.920 -26.392 -11.881 1.00 0.00 C ATOM 1655 O HIS A 113 24.850 -26.641 -11.109 1.00 0.00 O ATOM 1656 CB HIS A 113 21.423 -26.078 -11.971 1.00 0.00 C ATOM 1657 CG HIS A 113 20.215 -25.408 -11.393 1.00 0.00 C ATOM 1658 ND1 HIS A 113 19.493 -25.936 -10.350 1.00 0.00 N ATOM 1659 CD2 HIS A 113 19.608 -24.244 -11.717 1.00 0.00 C ATOM 1660 CE1 HIS A 113 18.493 -25.129 -10.055 1.00 0.00 C ATOM 1661 NE2 HIS A 113 18.540 -24.091 -10.869 1.00 0.00 N ATOM 0 H HIS A 113 23.128 -23.509 -11.025 1.00 0.00 H new ATOM 0 HA HIS A 113 22.686 -25.565 -10.336 1.00 0.00 H new ATOM 0 HB2 HIS A 113 21.410 -25.961 -13.055 1.00 0.00 H new ATOM 0 HB3 HIS A 113 21.369 -27.147 -11.766 1.00 0.00 H new ATOM 0 HD2 HIS A 113 19.908 -23.561 -12.498 1.00 0.00 H new ATOM 0 HE1 HIS A 113 17.760 -25.290 -9.279 1.00 0.00 H new ATOM 0 HE2 HIS A 113 17.890 -23.305 -10.868 1.00 0.00 H new ATOM 1670 N HIS A 114 23.883 -26.806 -13.139 1.00 0.00 N ATOM 1671 CA HIS A 114 24.965 -27.571 -13.740 1.00 0.00 C ATOM 1672 C HIS A 114 24.653 -27.815 -15.207 1.00 0.00 C ATOM 1673 O HIS A 114 23.864 -28.732 -15.500 1.00 0.00 O ATOM 1674 CB HIS A 114 25.178 -28.906 -13.016 1.00 0.00 C ATOM 1675 CG HIS A 114 26.475 -29.566 -13.368 1.00 0.00 C ATOM 1676 ND1 HIS A 114 27.679 -29.204 -12.802 1.00 0.00 N ATOM 1677 CD2 HIS A 114 26.759 -30.566 -14.235 1.00 0.00 C ATOM 1678 CE1 HIS A 114 28.642 -29.950 -13.306 1.00 0.00 C ATOM 1679 NE2 HIS A 114 28.113 -30.785 -14.178 1.00 0.00 N ATOM 1680 OXT HIS A 114 25.189 -27.080 -16.058 1.00 0.00 O ATOM 0 H HIS A 114 23.104 -26.621 -13.771 1.00 0.00 H new ATOM 0 HA HIS A 114 25.887 -26.996 -13.649 1.00 0.00 H new ATOM 0 HB2 HIS A 114 25.143 -28.738 -11.940 1.00 0.00 H new ATOM 0 HB3 HIS A 114 24.357 -29.580 -13.260 1.00 0.00 H new ATOM 0 HD2 HIS A 114 26.051 -31.094 -14.857 1.00 0.00 H new ATOM 0 HE1 HIS A 114 29.689 -29.887 -13.048 1.00 0.00 H new ATOM 0 HE2 HIS A 114 28.626 -31.480 -14.721 1.00 0.00 H new TER 1689 HIS A 114