USER MOD reduce.3.24.130724 H: found=0, std=0, add=1195, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1198 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 161 HIS : no HD1:sc= -3.93! C(o=-0.4!,f=-11!) USER MOD Set 1.2: A 164 CYS SG : rot 93:sc= 2.12! USER MOD Set 1.3: A 167 THR OG1 : rot 126:sc= 1.41! USER MOD Set 2.1: A 132 TYR OH : rot 130:sc= -0.504 USER MOD Set 2.2: A 134 SER OG : rot -147:sc= 1.12 USER MOD Set 3.1: A 125 ASN :FLIP amide:sc= -9.57! C(o=-20!,f=-10!) USER MOD Set 3.2: A 127 GLN :FLIP amide:sc= -0.915! X(o=-11,f=-10!) USER MOD Single : A 7 ASN : amide:sc= -0.883 K(o=-0.88,f=-2.2!) USER MOD Single : A 12 MET CE :methyl -127:sc= -1.94 (180deg=-4.67!) USER MOD Single : A 16 GLN : amide:sc= -0.412 K(o=-0.41,f=-1.3) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0159 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN :FLIP amide:sc= -1.22 F(o=-3.2!,f=-1.2) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HE2:sc= 0.0886 K(o=0.089,f=-2.8!) USER MOD Single : A 36 TYR OH : rot 30:sc= 0.92 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 39:sc= 0.138 USER MOD Single : A 49 SER OG : rot -29:sc= 1.03 USER MOD Single : A 52 GLN : amide:sc= -0.92 K(o=-0.92,f=-1.7) USER MOD Single : A 56 GLN : amide:sc= -0.0192 K(o=-0.019,f=-1.6!) USER MOD Single : A 59 ASN : amide:sc= -0.0887 K(o=-0.089,f=-2.2!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0513 K(o=-0.051,f=-2.3!) USER MOD Single : A 67 LYS NZ :NH3+ -179:sc=-0.00235 (180deg=-0.005) USER MOD Single : A 71 GLN : amide:sc= -0.346 K(o=-0.35,f=-1.3) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.0223 F(o=-1.4!,f=-0.022) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HD1:sc= -0.448 X(o=-0.45,f=-0.58) USER MOD Single : A 82 THR OG1 : rot -48:sc= 0.782 USER MOD Single : A 87 LYS NZ :NH3+ 148:sc= -0.204 (180deg=-1.02) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -121:sc= 0.705 USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= -6.01! C(o=-6!,f=-10!) USER MOD Single : A 103 HIS : no HD1:sc= -1.89 K(o=-1.9,f=-3!) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 LYS NZ :NH3+ -113:sc= -0.477 (180deg=-2.02!) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 ASN :FLIP amide:sc= -0.106 F(o=-2.5!,f=-0.11) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 ASN : amide:sc= -3.27! C(o=-3.3!,f=-4.6!) USER MOD Single : A 133 SER OG : rot 17:sc= 0.74 USER MOD Single : A 139 CYS SG : rot 180:sc= -0.674 USER MOD Single : A 141 CYS SG : rot 180:sc= 0 USER MOD Single : A 151 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 152 HIS : no HE2:sc= -2.64! C(o=-2.6!,f=-7.4!) USER MOD Single : A 154 GLN : amide:sc= -0.0564 X(o=-0.056,f=-0.08) USER MOD Single : A 155 GLN : amide:sc= 0.128 X(o=0.13,f=-0.21) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 160 SER OG : rot 180:sc= 0 USER MOD Single : A 163 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 166 HIS : no HD1:sc= -0.099 X(o=-0.099,f=-0.23) USER MOD Single : A 171 HIS : no HD1:sc= -1.62 X(o=-1.6,f=-1.9) USER MOD Single : A 172 CYS SG : rot 180:sc= -1.03 USER MOD Single : A 173 MET CE :methyl -131:sc= -0.252 (180deg=-1.51!) USER MOD Single : A 179 GLN : amide:sc= -0.695 K(o=-0.7,f=-2.6) USER MOD ----------------------------------------------------------------- ATOM 42 N GLY A 3 17.791 4.536 5.852 1.00 0.00 N ATOM 43 CA GLY A 3 16.335 4.623 5.936 1.00 0.00 C ATOM 44 C GLY A 3 15.692 4.454 4.566 1.00 0.00 C ATOM 45 O GLY A 3 15.636 5.397 3.779 1.00 0.00 O ATOM 0 HA2 GLY A 3 15.961 3.855 6.613 1.00 0.00 H new ATOM 0 HA3 GLY A 3 16.050 5.587 6.358 1.00 0.00 H new ATOM 49 N ILE A 4 15.193 3.253 4.287 1.00 0.00 N ATOM 50 CA ILE A 4 14.546 2.994 3.006 1.00 0.00 C ATOM 51 C ILE A 4 13.077 3.423 3.064 1.00 0.00 C ATOM 52 O ILE A 4 12.592 4.117 2.177 1.00 0.00 O ATOM 53 CB ILE A 4 14.656 1.503 2.653 1.00 0.00 C ATOM 54 CG1 ILE A 4 14.199 1.279 1.199 1.00 0.00 C ATOM 55 CG2 ILE A 4 13.776 0.685 3.592 1.00 0.00 C ATOM 56 CD1 ILE A 4 15.184 1.940 0.218 1.00 0.00 C ATOM 0 H ILE A 4 15.223 2.455 4.921 1.00 0.00 H new ATOM 0 HA ILE A 4 15.047 3.573 2.231 1.00 0.00 H new ATOM 0 HB ILE A 4 15.693 1.186 2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 4 14.132 0.211 0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 4 13.201 1.694 1.057 1.00 0.00 H new ATOM 0 HG21 ILE A 4 13.857 -0.372 3.338 1.00 0.00 H new ATOM 0 HG22 ILE A 4 14.102 0.837 4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 4 12.739 1.004 3.489 1.00 0.00 H new ATOM 0 HD11 ILE A 4 14.846 1.772 -0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 4 15.229 3.011 0.414 1.00 0.00 H new ATOM 0 HD13 ILE A 4 16.175 1.505 0.349 1.00 0.00 H new ATOM 68 N ILE A 5 12.382 3.019 4.129 1.00 0.00 N ATOM 69 CA ILE A 5 10.970 3.386 4.302 1.00 0.00 C ATOM 70 C ILE A 5 10.828 4.902 4.425 1.00 0.00 C ATOM 71 O ILE A 5 9.923 5.495 3.840 1.00 0.00 O ATOM 72 CB ILE A 5 10.385 2.726 5.567 1.00 0.00 C ATOM 73 CG1 ILE A 5 10.720 1.215 5.604 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.867 2.922 5.593 1.00 0.00 C ATOM 75 CD1 ILE A 5 9.859 0.437 4.593 1.00 0.00 C ATOM 0 H ILE A 5 12.766 2.444 4.879 1.00 0.00 H new ATOM 0 HA ILE A 5 10.424 3.034 3.427 1.00 0.00 H new ATOM 0 HB ILE A 5 10.830 3.198 6.443 1.00 0.00 H new ATOM 0 HG12 ILE A 5 11.776 1.067 5.378 1.00 0.00 H new ATOM 0 HG13 ILE A 5 10.551 0.825 6.608 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.455 2.455 6.488 1.00 0.00 H new ATOM 0 HG22 ILE A 5 8.638 3.988 5.602 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.426 2.463 4.708 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.113 -0.622 4.638 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.805 0.568 4.836 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.049 0.813 3.588 1.00 0.00 H new ATOM 87 N PHE A 6 11.714 5.523 5.190 1.00 0.00 N ATOM 88 CA PHE A 6 11.655 6.969 5.376 1.00 0.00 C ATOM 89 C PHE A 6 12.032 7.705 4.088 1.00 0.00 C ATOM 90 O PHE A 6 11.597 8.832 3.862 1.00 0.00 O ATOM 91 CB PHE A 6 12.589 7.391 6.511 1.00 0.00 C ATOM 92 CG PHE A 6 12.229 6.628 7.762 1.00 0.00 C ATOM 93 CD1 PHE A 6 11.276 7.145 8.648 1.00 0.00 C ATOM 94 CD2 PHE A 6 12.847 5.404 8.036 1.00 0.00 C ATOM 95 CE1 PHE A 6 10.942 6.436 9.808 1.00 0.00 C ATOM 96 CE2 PHE A 6 12.514 4.694 9.195 1.00 0.00 C ATOM 97 CZ PHE A 6 11.561 5.211 10.081 1.00 0.00 C ATOM 0 H PHE A 6 12.474 5.058 5.687 1.00 0.00 H new ATOM 0 HA PHE A 6 10.630 7.236 5.635 1.00 0.00 H new ATOM 0 HB2 PHE A 6 13.625 7.194 6.237 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.504 8.463 6.688 1.00 0.00 H new ATOM 0 HD1 PHE A 6 10.799 8.090 8.437 1.00 0.00 H new ATOM 0 HD2 PHE A 6 13.582 5.006 7.352 1.00 0.00 H new ATOM 0 HE1 PHE A 6 10.207 6.834 10.492 1.00 0.00 H new ATOM 0 HE2 PHE A 6 12.991 3.748 9.406 1.00 0.00 H new ATOM 0 HZ PHE A 6 11.303 4.664 10.976 1.00 0.00 H new ATOM 107 N ASN A 7 12.841 7.067 3.250 1.00 0.00 N ATOM 108 CA ASN A 7 13.263 7.686 1.991 1.00 0.00 C ATOM 109 C ASN A 7 12.075 7.864 1.037 1.00 0.00 C ATOM 110 O ASN A 7 11.868 8.946 0.485 1.00 0.00 O ATOM 111 CB ASN A 7 14.330 6.820 1.317 1.00 0.00 C ATOM 112 CG ASN A 7 14.701 7.410 -0.039 1.00 0.00 C ATOM 113 OD1 ASN A 7 14.307 8.533 -0.357 1.00 0.00 O ATOM 114 ND2 ASN A 7 15.439 6.717 -0.862 1.00 0.00 N ATOM 0 H ASN A 7 13.216 6.133 3.413 1.00 0.00 H new ATOM 0 HA ASN A 7 13.675 8.669 2.220 1.00 0.00 H new ATOM 0 HB2 ASN A 7 15.215 6.760 1.951 1.00 0.00 H new ATOM 0 HB3 ASN A 7 13.958 5.803 1.191 1.00 0.00 H new ATOM 0 HD21 ASN A 7 15.691 7.105 -1.771 1.00 0.00 H new ATOM 0 HD22 ASN A 7 15.764 5.787 -0.596 1.00 0.00 H new ATOM 121 N VAL A 8 11.306 6.797 0.846 1.00 0.00 N ATOM 122 CA VAL A 8 10.149 6.853 -0.051 1.00 0.00 C ATOM 123 C VAL A 8 9.054 7.745 0.541 1.00 0.00 C ATOM 124 O VAL A 8 8.296 8.382 -0.189 1.00 0.00 O ATOM 125 CB VAL A 8 9.596 5.434 -0.309 1.00 0.00 C ATOM 126 CG1 VAL A 8 8.649 5.450 -1.520 1.00 0.00 C ATOM 127 CG2 VAL A 8 10.756 4.470 -0.594 1.00 0.00 C ATOM 0 H VAL A 8 11.457 5.892 1.292 1.00 0.00 H new ATOM 0 HA VAL A 8 10.472 7.280 -1.000 1.00 0.00 H new ATOM 0 HB VAL A 8 9.050 5.104 0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.264 4.445 -1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.818 6.128 -1.323 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.192 5.788 -2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 8 10.362 3.470 -0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.303 4.809 -1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.428 4.445 0.264 1.00 0.00 H new ATOM 137 N LEU A 9 8.989 7.789 1.866 1.00 0.00 N ATOM 138 CA LEU A 9 7.995 8.612 2.555 1.00 0.00 C ATOM 139 C LEU A 9 8.311 10.095 2.363 1.00 0.00 C ATOM 140 O LEU A 9 7.465 10.863 1.907 1.00 0.00 O ATOM 141 CB LEU A 9 7.990 8.245 4.050 1.00 0.00 C ATOM 142 CG LEU A 9 7.074 9.186 4.866 1.00 0.00 C ATOM 143 CD1 LEU A 9 5.750 9.434 4.137 1.00 0.00 C ATOM 144 CD2 LEU A 9 6.775 8.532 6.225 1.00 0.00 C ATOM 0 H LEU A 9 9.609 7.268 2.486 1.00 0.00 H new ATOM 0 HA LEU A 9 7.007 8.423 2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.654 7.215 4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.006 8.297 4.441 1.00 0.00 H new ATOM 0 HG LEU A 9 7.584 10.140 4.997 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.125 10.099 4.733 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.948 9.894 3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.233 8.486 3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.129 9.187 6.810 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.275 7.576 6.067 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.709 8.368 6.763 1.00 0.00 H new ATOM 156 N GLU A 10 9.524 10.490 2.687 1.00 0.00 N ATOM 157 CA GLU A 10 9.917 11.887 2.521 1.00 0.00 C ATOM 158 C GLU A 10 9.434 12.415 1.168 1.00 0.00 C ATOM 159 O GLU A 10 9.181 13.607 1.006 1.00 0.00 O ATOM 160 CB GLU A 10 11.440 12.019 2.614 1.00 0.00 C ATOM 161 CG GLU A 10 11.838 13.492 2.499 1.00 0.00 C ATOM 162 CD GLU A 10 13.341 13.644 2.697 1.00 0.00 C ATOM 163 OE1 GLU A 10 14.014 12.629 2.778 1.00 0.00 O ATOM 164 OE2 GLU A 10 13.799 14.773 2.764 1.00 0.00 O ATOM 0 H GLU A 10 10.250 9.880 3.062 1.00 0.00 H new ATOM 0 HA GLU A 10 9.458 12.475 3.316 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.793 11.610 3.561 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.914 11.441 1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.551 13.879 1.521 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.304 14.081 3.245 1.00 0.00 H new ATOM 171 N ASP A 11 9.322 11.513 0.201 1.00 0.00 N ATOM 172 CA ASP A 11 8.883 11.889 -1.141 1.00 0.00 C ATOM 173 C ASP A 11 7.388 12.205 -1.174 1.00 0.00 C ATOM 174 O ASP A 11 6.946 13.072 -1.931 1.00 0.00 O ATOM 175 CB ASP A 11 9.190 10.763 -2.128 1.00 0.00 C ATOM 176 CG ASP A 11 9.030 11.265 -3.558 1.00 0.00 C ATOM 177 OD1 ASP A 11 9.988 11.806 -4.085 1.00 0.00 O ATOM 178 OD2 ASP A 11 7.953 11.102 -4.106 1.00 0.00 O ATOM 0 H ASP A 11 9.527 10.521 0.318 1.00 0.00 H new ATOM 0 HA ASP A 11 9.428 12.788 -1.428 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.206 10.399 -1.973 1.00 0.00 H new ATOM 0 HB3 ASP A 11 8.520 9.921 -1.952 1.00 0.00 H new ATOM 183 N MET A 12 6.615 11.505 -0.357 1.00 0.00 N ATOM 184 CA MET A 12 5.171 11.733 -0.319 1.00 0.00 C ATOM 185 C MET A 12 4.848 13.065 0.341 1.00 0.00 C ATOM 186 O MET A 12 4.142 13.893 -0.232 1.00 0.00 O ATOM 187 CB MET A 12 4.469 10.618 0.451 1.00 0.00 C ATOM 188 CG MET A 12 5.044 9.270 0.049 1.00 0.00 C ATOM 189 SD MET A 12 4.206 7.969 0.997 1.00 0.00 S ATOM 190 CE MET A 12 5.422 6.649 0.758 1.00 0.00 C ATOM 0 H MET A 12 6.953 10.784 0.281 1.00 0.00 H new ATOM 0 HA MET A 12 4.815 11.745 -1.349 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.593 10.771 1.523 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.398 10.642 0.247 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.907 9.105 -1.020 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.117 9.245 0.241 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.923 5.761 0.370 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.181 6.978 0.049 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.894 6.412 1.711 1.00 0.00 H new ATOM 200 N VAL A 13 5.356 13.264 1.550 1.00 0.00 N ATOM 201 CA VAL A 13 5.098 14.505 2.280 1.00 0.00 C ATOM 202 C VAL A 13 5.565 15.718 1.479 1.00 0.00 C ATOM 203 O VAL A 13 4.852 16.718 1.384 1.00 0.00 O ATOM 204 CB VAL A 13 5.812 14.461 3.629 1.00 0.00 C ATOM 205 CG1 VAL A 13 5.257 13.297 4.463 1.00 0.00 C ATOM 206 CG2 VAL A 13 7.313 14.255 3.396 1.00 0.00 C ATOM 0 H VAL A 13 5.943 12.592 2.044 1.00 0.00 H new ATOM 0 HA VAL A 13 4.024 14.599 2.439 1.00 0.00 H new ATOM 0 HB VAL A 13 5.649 15.397 4.163 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.766 13.265 5.426 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.188 13.440 4.622 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.422 12.359 3.933 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.829 14.223 4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.473 13.316 2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.705 15.079 2.801 1.00 0.00 H new ATOM 216 N VAL A 14 6.757 15.632 0.911 1.00 0.00 N ATOM 217 CA VAL A 14 7.295 16.739 0.129 1.00 0.00 C ATOM 218 C VAL A 14 6.300 17.182 -0.945 1.00 0.00 C ATOM 219 O VAL A 14 6.305 18.337 -1.370 1.00 0.00 O ATOM 220 CB VAL A 14 8.626 16.320 -0.525 1.00 0.00 C ATOM 221 CG1 VAL A 14 9.015 17.329 -1.616 1.00 0.00 C ATOM 222 CG2 VAL A 14 9.730 16.278 0.545 1.00 0.00 C ATOM 0 H VAL A 14 7.367 14.817 0.974 1.00 0.00 H new ATOM 0 HA VAL A 14 7.472 17.580 0.799 1.00 0.00 H new ATOM 0 HB VAL A 14 8.509 15.334 -0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.957 17.026 -2.073 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.236 17.360 -2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.129 18.318 -1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 14 10.672 15.982 0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.840 17.265 0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.461 15.557 1.317 1.00 0.00 H new ATOM 232 N ALA A 15 5.459 16.256 -1.385 1.00 0.00 N ATOM 233 CA ALA A 15 4.473 16.564 -2.420 1.00 0.00 C ATOM 234 C ALA A 15 3.198 17.155 -1.816 1.00 0.00 C ATOM 235 O ALA A 15 2.373 17.726 -2.528 1.00 0.00 O ATOM 236 CB ALA A 15 4.122 15.292 -3.192 1.00 0.00 C ATOM 0 H ALA A 15 5.436 15.294 -1.048 1.00 0.00 H new ATOM 0 HA ALA A 15 4.910 17.302 -3.092 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.387 15.525 -3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.021 14.890 -3.658 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.707 14.553 -2.506 1.00 0.00 H new ATOM 242 N GLN A 16 3.026 16.986 -0.505 1.00 0.00 N ATOM 243 CA GLN A 16 1.819 17.481 0.175 1.00 0.00 C ATOM 244 C GLN A 16 2.024 18.856 0.822 1.00 0.00 C ATOM 245 O GLN A 16 1.210 19.761 0.633 1.00 0.00 O ATOM 246 CB GLN A 16 1.405 16.485 1.261 1.00 0.00 C ATOM 247 CG GLN A 16 1.094 15.121 0.626 1.00 0.00 C ATOM 248 CD GLN A 16 0.197 14.303 1.551 1.00 0.00 C ATOM 249 OE1 GLN A 16 0.689 13.633 2.460 1.00 0.00 O ATOM 250 NE2 GLN A 16 -1.095 14.318 1.373 1.00 0.00 N ATOM 0 H GLN A 16 3.695 16.517 0.105 1.00 0.00 H new ATOM 0 HA GLN A 16 1.044 17.584 -0.584 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.204 16.381 1.995 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.529 16.857 1.793 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.603 15.263 -0.337 1.00 0.00 H new ATOM 0 HG3 GLN A 16 2.021 14.581 0.435 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.500 14.874 0.619 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.701 13.774 1.987 1.00 0.00 H new ATOM 259 N CYS A 17 3.088 18.999 1.609 1.00 0.00 N ATOM 260 CA CYS A 17 3.355 20.272 2.309 1.00 0.00 C ATOM 261 C CYS A 17 4.782 20.781 2.058 1.00 0.00 C ATOM 262 O CYS A 17 5.078 21.948 2.317 1.00 0.00 O ATOM 263 CB CYS A 17 3.126 20.074 3.821 1.00 0.00 C ATOM 264 SG CYS A 17 1.445 20.599 4.259 1.00 0.00 S ATOM 0 H CYS A 17 3.776 18.266 1.782 1.00 0.00 H new ATOM 0 HA CYS A 17 2.670 21.024 1.917 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.271 19.027 4.086 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.857 20.651 4.388 1.00 0.00 H new ATOM 0 HG CYS A 17 1.255 20.428 5.534 1.00 0.00 H new ATOM 270 N GLY A 18 5.657 19.913 1.555 1.00 0.00 N ATOM 271 CA GLY A 18 7.047 20.312 1.275 1.00 0.00 C ATOM 272 C GLY A 18 8.034 19.573 2.176 1.00 0.00 C ATOM 273 O GLY A 18 7.649 18.712 2.962 1.00 0.00 O ATOM 0 H GLY A 18 5.440 18.941 1.333 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.282 20.107 0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.154 21.387 1.421 1.00 0.00 H new ATOM 277 N MET A 19 9.311 19.908 2.034 1.00 0.00 N ATOM 278 CA MET A 19 10.362 19.263 2.824 1.00 0.00 C ATOM 279 C MET A 19 10.450 19.869 4.232 1.00 0.00 C ATOM 280 O MET A 19 10.906 19.213 5.168 1.00 0.00 O ATOM 281 CB MET A 19 11.726 19.408 2.102 1.00 0.00 C ATOM 282 CG MET A 19 11.706 20.646 1.196 1.00 0.00 C ATOM 283 SD MET A 19 13.403 21.189 0.881 1.00 0.00 S ATOM 284 CE MET A 19 12.999 22.591 -0.189 1.00 0.00 C ATOM 0 H MET A 19 9.646 20.619 1.384 1.00 0.00 H new ATOM 0 HA MET A 19 10.112 18.207 2.924 1.00 0.00 H new ATOM 0 HB2 MET A 19 12.528 19.495 2.835 1.00 0.00 H new ATOM 0 HB3 MET A 19 11.931 18.516 1.510 1.00 0.00 H new ATOM 0 HG2 MET A 19 11.206 20.414 0.255 1.00 0.00 H new ATOM 0 HG3 MET A 19 11.138 21.447 1.669 1.00 0.00 H new ATOM 0 HE1 MET A 19 13.918 23.083 -0.507 1.00 0.00 H new ATOM 0 HE2 MET A 19 12.456 22.236 -1.065 1.00 0.00 H new ATOM 0 HE3 MET A 19 12.379 23.300 0.359 1.00 0.00 H new ATOM 294 N SER A 20 10.024 21.120 4.373 1.00 0.00 N ATOM 295 CA SER A 20 10.079 21.790 5.673 1.00 0.00 C ATOM 296 C SER A 20 9.221 21.060 6.708 1.00 0.00 C ATOM 297 O SER A 20 9.588 20.985 7.881 1.00 0.00 O ATOM 298 CB SER A 20 9.610 23.237 5.540 1.00 0.00 C ATOM 299 OG SER A 20 9.827 23.917 6.773 1.00 0.00 O ATOM 0 H SER A 20 9.641 21.686 3.616 1.00 0.00 H new ATOM 0 HA SER A 20 11.114 21.776 6.015 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.153 23.735 4.736 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.553 23.266 5.277 1.00 0.00 H new ATOM 0 HG SER A 20 9.528 24.847 6.691 1.00 0.00 H new ATOM 305 N VAL A 21 8.089 20.517 6.276 1.00 0.00 N ATOM 306 CA VAL A 21 7.208 19.794 7.194 1.00 0.00 C ATOM 307 C VAL A 21 7.865 18.487 7.631 1.00 0.00 C ATOM 308 O VAL A 21 7.769 18.085 8.791 1.00 0.00 O ATOM 309 CB VAL A 21 5.852 19.501 6.506 1.00 0.00 C ATOM 310 CG1 VAL A 21 5.949 18.222 5.653 1.00 0.00 C ATOM 311 CG2 VAL A 21 4.765 19.313 7.571 1.00 0.00 C ATOM 0 H VAL A 21 7.760 20.560 5.311 1.00 0.00 H new ATOM 0 HA VAL A 21 7.032 20.412 8.074 1.00 0.00 H new ATOM 0 HB VAL A 21 5.599 20.343 5.861 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.988 18.029 5.176 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.715 18.352 4.888 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.213 17.378 6.291 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.811 19.107 7.085 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.031 18.477 8.218 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.679 20.221 8.168 1.00 0.00 H new ATOM 321 N TRP A 22 8.520 17.829 6.685 1.00 0.00 N ATOM 322 CA TRP A 22 9.178 16.566 6.960 1.00 0.00 C ATOM 323 C TRP A 22 10.326 16.747 7.934 1.00 0.00 C ATOM 324 O TRP A 22 10.491 15.963 8.853 1.00 0.00 O ATOM 325 CB TRP A 22 9.719 15.966 5.665 1.00 0.00 C ATOM 326 CG TRP A 22 10.288 14.624 5.956 1.00 0.00 C ATOM 327 CD1 TRP A 22 11.589 14.289 5.833 1.00 0.00 C ATOM 328 CD2 TRP A 22 9.600 13.435 6.424 1.00 0.00 C ATOM 329 NE1 TRP A 22 11.745 12.964 6.197 1.00 0.00 N ATOM 330 CE2 TRP A 22 10.543 12.396 6.571 1.00 0.00 C ATOM 331 CE3 TRP A 22 8.256 13.162 6.734 1.00 0.00 C ATOM 332 CZ2 TRP A 22 10.171 11.130 7.011 1.00 0.00 C ATOM 333 CZ3 TRP A 22 7.877 11.891 7.175 1.00 0.00 C ATOM 334 CH2 TRP A 22 8.833 10.875 7.314 1.00 0.00 C ATOM 0 H TRP A 22 8.608 18.151 5.721 1.00 0.00 H new ATOM 0 HA TRP A 22 8.441 15.897 7.404 1.00 0.00 H new ATOM 0 HB2 TRP A 22 8.922 15.885 4.926 1.00 0.00 H new ATOM 0 HB3 TRP A 22 10.484 16.615 5.240 1.00 0.00 H new ATOM 0 HD1 TRP A 22 12.379 14.948 5.504 1.00 0.00 H new ATOM 0 HE1 TRP A 22 12.636 12.468 6.190 1.00 0.00 H new ATOM 0 HE3 TRP A 22 7.513 13.939 6.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 10.911 10.351 7.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 6.842 11.690 7.410 1.00 0.00 H new ATOM 0 HH2 TRP A 22 8.534 9.895 7.656 1.00 0.00 H new ATOM 345 N ASN A 23 11.111 17.785 7.724 1.00 0.00 N ATOM 346 CA ASN A 23 12.246 18.056 8.593 1.00 0.00 C ATOM 347 C ASN A 23 11.780 18.573 9.946 1.00 0.00 C ATOM 348 O ASN A 23 12.467 18.408 10.954 1.00 0.00 O ATOM 349 CB ASN A 23 13.168 19.087 7.939 1.00 0.00 C ATOM 350 CG ASN A 23 14.306 19.446 8.888 1.00 0.00 C ATOM 351 OD1 ASN A 23 14.052 20.146 9.959 1.00 0.00 O flip ATOM 352 ND2 ASN A 23 15.456 19.079 8.647 1.00 0.00 N flip ATOM 0 H ASN A 23 10.987 18.454 6.964 1.00 0.00 H new ATOM 0 HA ASN A 23 12.791 17.124 8.746 1.00 0.00 H new ATOM 0 HB2 ASN A 23 13.572 18.687 7.009 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.602 19.982 7.682 1.00 0.00 H new ATOM 0 HD21 ASN A 23 15.652 18.532 7.809 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.213 19.322 9.286 1.00 0.00 H new ATOM 359 N GLU A 24 10.630 19.228 9.958 1.00 0.00 N ATOM 360 CA GLU A 24 10.096 19.804 11.194 1.00 0.00 C ATOM 361 C GLU A 24 9.655 18.721 12.190 1.00 0.00 C ATOM 362 O GLU A 24 10.194 18.631 13.293 1.00 0.00 O ATOM 363 CB GLU A 24 8.900 20.727 10.852 1.00 0.00 C ATOM 364 CG GLU A 24 9.370 22.184 10.745 1.00 0.00 C ATOM 365 CD GLU A 24 8.183 23.094 10.450 1.00 0.00 C ATOM 366 OE1 GLU A 24 7.085 22.579 10.321 1.00 0.00 O ATOM 367 OE2 GLU A 24 8.389 24.293 10.358 1.00 0.00 O ATOM 0 H GLU A 24 10.047 19.377 9.134 1.00 0.00 H new ATOM 0 HA GLU A 24 10.890 20.379 11.670 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.446 20.413 9.912 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.132 20.640 11.621 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.850 22.489 11.675 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.116 22.277 9.955 1.00 0.00 H new ATOM 374 N LEU A 25 8.669 17.923 11.810 1.00 0.00 N ATOM 375 CA LEU A 25 8.167 16.881 12.695 1.00 0.00 C ATOM 376 C LEU A 25 9.200 15.758 12.862 1.00 0.00 C ATOM 377 O LEU A 25 9.151 15.000 13.829 1.00 0.00 O ATOM 378 CB LEU A 25 6.795 16.363 12.158 1.00 0.00 C ATOM 379 CG LEU A 25 6.917 15.026 11.364 1.00 0.00 C ATOM 380 CD1 LEU A 25 8.028 15.115 10.283 1.00 0.00 C ATOM 381 CD2 LEU A 25 7.193 13.845 12.336 1.00 0.00 C ATOM 0 H LEU A 25 8.204 17.975 10.904 1.00 0.00 H new ATOM 0 HA LEU A 25 8.003 17.292 13.691 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.113 16.220 12.996 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.353 17.123 11.514 1.00 0.00 H new ATOM 0 HG LEU A 25 5.970 14.846 10.855 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.090 14.169 9.746 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.790 15.915 9.582 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.985 15.324 10.761 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.276 12.918 11.768 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.124 14.026 12.873 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.373 13.762 13.049 1.00 0.00 H new ATOM 393 N LEU A 26 10.140 15.674 11.932 1.00 0.00 N ATOM 394 CA LEU A 26 11.186 14.651 12.004 1.00 0.00 C ATOM 395 C LEU A 26 12.193 15.007 13.094 1.00 0.00 C ATOM 396 O LEU A 26 12.660 14.139 13.827 1.00 0.00 O ATOM 397 CB LEU A 26 11.893 14.539 10.646 1.00 0.00 C ATOM 398 CG LEU A 26 13.123 13.629 10.740 1.00 0.00 C ATOM 399 CD1 LEU A 26 12.692 12.213 11.133 1.00 0.00 C ATOM 400 CD2 LEU A 26 13.807 13.595 9.371 1.00 0.00 C ATOM 0 H LEU A 26 10.205 16.293 11.124 1.00 0.00 H new ATOM 0 HA LEU A 26 10.732 13.691 12.249 1.00 0.00 H new ATOM 0 HB2 LEU A 26 11.200 14.144 9.903 1.00 0.00 H new ATOM 0 HB3 LEU A 26 12.194 15.530 10.306 1.00 0.00 H new ATOM 0 HG LEU A 26 13.811 14.010 11.495 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.570 11.570 11.198 1.00 0.00 H new ATOM 0 HD12 LEU A 26 12.190 12.241 12.100 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.009 11.819 10.381 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.685 12.951 9.419 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.112 13.206 8.627 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.111 14.604 9.091 1.00 0.00 H new ATOM 412 N GLU A 27 12.515 16.286 13.196 1.00 0.00 N ATOM 413 CA GLU A 27 13.464 16.748 14.205 1.00 0.00 C ATOM 414 C GLU A 27 12.801 16.812 15.579 1.00 0.00 C ATOM 415 O GLU A 27 13.457 16.620 16.603 1.00 0.00 O ATOM 416 CB GLU A 27 13.996 18.132 13.827 1.00 0.00 C ATOM 417 CG GLU A 27 14.902 18.015 12.600 1.00 0.00 C ATOM 418 CD GLU A 27 16.216 17.344 12.984 1.00 0.00 C ATOM 419 OE1 GLU A 27 16.469 17.216 14.171 1.00 0.00 O ATOM 420 OE2 GLU A 27 16.950 16.967 12.085 1.00 0.00 O ATOM 0 H GLU A 27 12.138 17.022 12.598 1.00 0.00 H new ATOM 0 HA GLU A 27 14.292 16.040 14.248 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.166 18.807 13.616 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.551 18.560 14.662 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.402 17.437 11.823 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.097 19.004 12.186 1.00 0.00 H new ATOM 427 N LYS A 28 11.506 17.094 15.595 1.00 0.00 N ATOM 428 CA LYS A 28 10.769 17.193 16.852 1.00 0.00 C ATOM 429 C LYS A 28 10.465 15.811 17.438 1.00 0.00 C ATOM 430 O LYS A 28 10.579 15.602 18.647 1.00 0.00 O ATOM 431 CB LYS A 28 9.453 17.940 16.617 1.00 0.00 C ATOM 432 CG LYS A 28 8.778 18.224 17.964 1.00 0.00 C ATOM 433 CD LYS A 28 7.622 19.213 17.763 1.00 0.00 C ATOM 434 CE LYS A 28 6.492 18.539 16.978 1.00 0.00 C ATOM 435 NZ LYS A 28 5.248 19.350 17.106 1.00 0.00 N ATOM 0 H LYS A 28 10.945 17.258 14.759 1.00 0.00 H new ATOM 0 HA LYS A 28 11.392 17.736 17.563 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.642 18.875 16.089 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.793 17.345 15.986 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.405 17.296 18.398 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.503 18.635 18.666 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.252 19.555 18.730 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.974 20.094 17.227 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.770 18.443 15.929 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.323 17.531 17.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.480 18.894 16.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.981 19.420 18.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.414 20.303 16.725 1.00 0.00 H new ATOM 449 N HIS A 29 10.053 14.879 16.579 1.00 0.00 N ATOM 450 CA HIS A 29 9.703 13.525 17.029 1.00 0.00 C ATOM 451 C HIS A 29 10.908 12.579 17.016 1.00 0.00 C ATOM 452 O HIS A 29 10.778 11.408 17.371 1.00 0.00 O ATOM 453 CB HIS A 29 8.605 12.953 16.133 1.00 0.00 C ATOM 454 CG HIS A 29 7.333 13.726 16.341 1.00 0.00 C ATOM 455 ND1 HIS A 29 7.053 14.893 15.645 1.00 0.00 N ATOM 456 CD2 HIS A 29 6.254 13.512 17.162 1.00 0.00 C ATOM 457 CE1 HIS A 29 5.849 15.332 16.058 1.00 0.00 C ATOM 458 NE2 HIS A 29 5.319 14.526 16.982 1.00 0.00 N ATOM 0 H HIS A 29 9.953 15.031 15.575 1.00 0.00 H new ATOM 0 HA HIS A 29 9.353 13.605 18.058 1.00 0.00 H new ATOM 0 HB2 HIS A 29 8.909 13.007 15.088 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.445 11.900 16.364 1.00 0.00 H new ATOM 0 HD1 HIS A 29 7.650 15.337 14.948 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.147 12.682 17.845 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.370 16.226 15.688 1.00 0.00 H new ATOM 565 N TYR A 36 17.529 8.350 9.308 1.00 0.00 N ATOM 566 CA TYR A 36 16.985 7.013 9.523 1.00 0.00 C ATOM 567 C TYR A 36 17.815 6.016 8.722 1.00 0.00 C ATOM 568 O TYR A 36 18.001 6.183 7.521 1.00 0.00 O ATOM 569 CB TYR A 36 15.495 6.951 9.082 1.00 0.00 C ATOM 570 CG TYR A 36 15.129 8.206 8.310 1.00 0.00 C ATOM 571 CD1 TYR A 36 15.783 8.504 7.107 1.00 0.00 C ATOM 572 CD2 TYR A 36 14.135 9.067 8.797 1.00 0.00 C ATOM 573 CE1 TYR A 36 15.445 9.660 6.394 1.00 0.00 C ATOM 574 CE2 TYR A 36 13.798 10.222 8.083 1.00 0.00 C ATOM 575 CZ TYR A 36 14.454 10.519 6.881 1.00 0.00 C ATOM 576 OH TYR A 36 14.121 11.658 6.178 1.00 0.00 O ATOM 0 HA TYR A 36 17.030 6.766 10.584 1.00 0.00 H new ATOM 0 HB2 TYR A 36 15.327 6.071 8.462 1.00 0.00 H new ATOM 0 HB3 TYR A 36 14.852 6.852 9.957 1.00 0.00 H new ATOM 0 HD1 TYR A 36 16.548 7.841 6.730 1.00 0.00 H new ATOM 0 HD2 TYR A 36 13.629 8.838 9.724 1.00 0.00 H new ATOM 0 HE1 TYR A 36 15.950 9.889 5.467 1.00 0.00 H new ATOM 0 HE2 TYR A 36 13.032 10.885 8.458 1.00 0.00 H new ATOM 0 HH TYR A 36 14.266 11.506 5.221 1.00 0.00 H new ATOM 586 N VAL A 37 18.328 4.989 9.393 1.00 0.00 N ATOM 587 CA VAL A 37 19.153 3.981 8.722 1.00 0.00 C ATOM 588 C VAL A 37 18.353 2.702 8.486 1.00 0.00 C ATOM 589 O VAL A 37 17.844 2.093 9.427 1.00 0.00 O ATOM 590 CB VAL A 37 20.384 3.677 9.573 1.00 0.00 C ATOM 591 CG1 VAL A 37 21.407 2.903 8.738 1.00 0.00 C ATOM 592 CG2 VAL A 37 21.008 4.996 10.056 1.00 0.00 C ATOM 0 H VAL A 37 18.191 4.830 10.391 1.00 0.00 H new ATOM 0 HA VAL A 37 19.469 4.373 7.755 1.00 0.00 H new ATOM 0 HB VAL A 37 20.091 3.075 10.433 1.00 0.00 H new ATOM 0 HG11 VAL A 37 22.285 2.687 9.347 1.00 0.00 H new ATOM 0 HG12 VAL A 37 20.964 1.968 8.395 1.00 0.00 H new ATOM 0 HG13 VAL A 37 21.702 3.502 7.876 1.00 0.00 H new ATOM 0 HG21 VAL A 37 21.887 4.782 10.664 1.00 0.00 H new ATOM 0 HG22 VAL A 37 21.300 5.597 9.195 1.00 0.00 H new ATOM 0 HG23 VAL A 37 20.280 5.546 10.652 1.00 0.00 H new ATOM 602 N SER A 38 18.244 2.308 7.220 1.00 0.00 N ATOM 603 CA SER A 38 17.501 1.103 6.860 1.00 0.00 C ATOM 604 C SER A 38 18.099 -0.125 7.540 1.00 0.00 C ATOM 605 O SER A 38 17.406 -1.113 7.780 1.00 0.00 O ATOM 606 CB SER A 38 17.531 0.910 5.345 1.00 0.00 C ATOM 607 OG SER A 38 18.849 0.554 4.942 1.00 0.00 O ATOM 0 H SER A 38 18.658 2.802 6.430 1.00 0.00 H new ATOM 0 HA SER A 38 16.471 1.222 7.195 1.00 0.00 H new ATOM 0 HB2 SER A 38 16.826 0.132 5.052 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.220 1.827 4.844 1.00 0.00 H new ATOM 0 HG SER A 38 18.871 0.428 3.970 1.00 0.00 H new ATOM 702 N SER A 45 8.887 2.124 15.588 1.00 0.00 N ATOM 703 CA SER A 45 7.628 2.740 15.991 1.00 0.00 C ATOM 704 C SER A 45 7.580 4.201 15.553 1.00 0.00 C ATOM 705 O SER A 45 6.505 4.754 15.324 1.00 0.00 O ATOM 706 CB SER A 45 7.467 2.655 17.507 1.00 0.00 C ATOM 707 OG SER A 45 7.547 1.294 17.914 1.00 0.00 O ATOM 0 HA SER A 45 6.812 2.202 15.509 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.244 3.240 18.000 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.509 3.080 17.807 1.00 0.00 H new ATOM 0 HG SER A 45 8.233 0.835 17.386 1.00 0.00 H new ATOM 713 N GLU A 46 8.751 4.820 15.440 1.00 0.00 N ATOM 714 CA GLU A 46 8.828 6.218 15.029 1.00 0.00 C ATOM 715 C GLU A 46 7.989 6.453 13.775 1.00 0.00 C ATOM 716 O GLU A 46 7.371 7.502 13.621 1.00 0.00 O ATOM 717 CB GLU A 46 10.286 6.606 14.755 1.00 0.00 C ATOM 718 CG GLU A 46 11.028 6.788 16.081 1.00 0.00 C ATOM 719 CD GLU A 46 12.505 7.065 15.819 1.00 0.00 C ATOM 720 OE1 GLU A 46 12.916 6.941 14.677 1.00 0.00 O ATOM 721 OE2 GLU A 46 13.202 7.396 16.763 1.00 0.00 O ATOM 0 H GLU A 46 9.653 4.380 15.625 1.00 0.00 H new ATOM 0 HA GLU A 46 8.436 6.837 15.836 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.772 5.834 14.158 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.324 7.529 14.176 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.589 7.613 16.643 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.921 5.893 16.693 1.00 0.00 H new ATOM 728 N LEU A 47 7.971 5.466 12.886 1.00 0.00 N ATOM 729 CA LEU A 47 7.198 5.588 11.653 1.00 0.00 C ATOM 730 C LEU A 47 5.729 5.832 11.978 1.00 0.00 C ATOM 731 O LEU A 47 5.075 6.654 11.343 1.00 0.00 O ATOM 732 CB LEU A 47 7.332 4.318 10.807 1.00 0.00 C ATOM 733 CG LEU A 47 6.712 4.551 9.409 1.00 0.00 C ATOM 734 CD1 LEU A 47 7.661 5.386 8.532 1.00 0.00 C ATOM 735 CD2 LEU A 47 6.459 3.195 8.737 1.00 0.00 C ATOM 0 H LEU A 47 8.474 4.585 12.992 1.00 0.00 H new ATOM 0 HA LEU A 47 7.588 6.433 11.086 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.383 4.045 10.708 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.832 3.486 11.302 1.00 0.00 H new ATOM 0 HG LEU A 47 5.773 5.092 9.524 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.209 5.540 7.552 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.839 6.351 9.006 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.608 4.859 8.416 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.022 3.353 7.751 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.402 2.658 8.634 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.773 2.608 9.348 1.00 0.00 H new ATOM 747 N PHE A 48 5.219 5.114 12.973 1.00 0.00 N ATOM 748 CA PHE A 48 3.824 5.267 13.372 1.00 0.00 C ATOM 749 C PHE A 48 3.583 6.665 13.934 1.00 0.00 C ATOM 750 O PHE A 48 2.627 7.338 13.551 1.00 0.00 O ATOM 751 CB PHE A 48 3.455 4.218 14.421 1.00 0.00 C ATOM 752 CG PHE A 48 1.961 4.237 14.648 1.00 0.00 C ATOM 753 CD1 PHE A 48 1.097 3.796 13.641 1.00 0.00 C ATOM 754 CD2 PHE A 48 1.441 4.699 15.865 1.00 0.00 C ATOM 755 CE1 PHE A 48 -0.287 3.814 13.848 1.00 0.00 C ATOM 756 CE2 PHE A 48 0.056 4.717 16.072 1.00 0.00 C ATOM 757 CZ PHE A 48 -0.808 4.276 15.063 1.00 0.00 C ATOM 0 H PHE A 48 5.744 4.427 13.514 1.00 0.00 H new ATOM 0 HA PHE A 48 3.197 5.126 12.492 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.771 3.229 14.089 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.978 4.422 15.355 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.498 3.441 12.703 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.108 5.041 16.643 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.954 3.471 13.070 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.345 5.071 17.010 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.876 4.292 15.221 1.00 0.00 H new ATOM 767 N SER A 49 4.458 7.098 14.834 1.00 0.00 N ATOM 768 CA SER A 49 4.327 8.424 15.427 1.00 0.00 C ATOM 769 C SER A 49 4.332 9.488 14.332 1.00 0.00 C ATOM 770 O SER A 49 3.666 10.518 14.443 1.00 0.00 O ATOM 771 CB SER A 49 5.482 8.679 16.393 1.00 0.00 C ATOM 772 OG SER A 49 6.706 8.700 15.667 1.00 0.00 O ATOM 0 H SER A 49 5.257 6.558 15.166 1.00 0.00 H new ATOM 0 HA SER A 49 3.384 8.474 15.972 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.336 9.627 16.910 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.512 7.901 17.156 1.00 0.00 H new ATOM 0 HG SER A 49 6.627 8.127 14.876 1.00 0.00 H new ATOM 778 N ILE A 50 5.101 9.228 13.284 1.00 0.00 N ATOM 779 CA ILE A 50 5.211 10.157 12.166 1.00 0.00 C ATOM 780 C ILE A 50 3.967 10.105 11.277 1.00 0.00 C ATOM 781 O ILE A 50 3.572 11.112 10.690 1.00 0.00 O ATOM 782 CB ILE A 50 6.454 9.810 11.332 1.00 0.00 C ATOM 783 CG1 ILE A 50 7.720 10.120 12.146 1.00 0.00 C ATOM 784 CG2 ILE A 50 6.463 10.634 10.039 1.00 0.00 C ATOM 785 CD1 ILE A 50 8.916 9.393 11.529 1.00 0.00 C ATOM 0 H ILE A 50 5.659 8.380 13.184 1.00 0.00 H new ATOM 0 HA ILE A 50 5.301 11.166 12.568 1.00 0.00 H new ATOM 0 HB ILE A 50 6.431 8.750 11.080 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.902 11.195 12.160 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.585 9.806 13.181 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.347 10.382 9.453 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.568 10.410 9.459 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.481 11.696 10.284 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.813 9.613 12.107 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.733 8.318 11.539 1.00 0.00 H new ATOM 0 HD13 ILE A 50 9.055 9.728 10.501 1.00 0.00 H new ATOM 797 N VAL A 51 3.365 8.930 11.173 1.00 0.00 N ATOM 798 CA VAL A 51 2.179 8.763 10.338 1.00 0.00 C ATOM 799 C VAL A 51 0.951 9.410 10.984 1.00 0.00 C ATOM 800 O VAL A 51 0.108 9.972 10.291 1.00 0.00 O ATOM 801 CB VAL A 51 1.923 7.264 10.091 1.00 0.00 C ATOM 802 CG1 VAL A 51 0.511 7.055 9.508 1.00 0.00 C ATOM 803 CG2 VAL A 51 2.969 6.728 9.101 1.00 0.00 C ATOM 0 H VAL A 51 3.673 8.083 11.651 1.00 0.00 H new ATOM 0 HA VAL A 51 2.357 9.261 9.385 1.00 0.00 H new ATOM 0 HB VAL A 51 1.999 6.728 11.037 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.341 5.992 9.338 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.232 7.433 10.210 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.424 7.592 8.564 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.792 5.667 8.923 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.891 7.272 8.160 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.967 6.864 9.517 1.00 0.00 H new ATOM 813 N GLN A 52 0.845 9.318 12.303 1.00 0.00 N ATOM 814 CA GLN A 52 -0.302 9.898 13.000 1.00 0.00 C ATOM 815 C GLN A 52 -0.182 11.421 13.085 1.00 0.00 C ATOM 816 O GLN A 52 -1.176 12.135 12.963 1.00 0.00 O ATOM 817 CB GLN A 52 -0.413 9.311 14.408 1.00 0.00 C ATOM 818 CG GLN A 52 0.877 9.578 15.172 1.00 0.00 C ATOM 819 CD GLN A 52 0.863 8.825 16.498 1.00 0.00 C ATOM 820 OE1 GLN A 52 1.122 7.623 16.532 1.00 0.00 O ATOM 821 NE2 GLN A 52 0.573 9.465 17.598 1.00 0.00 N ATOM 0 H GLN A 52 1.525 8.856 12.906 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.200 9.654 12.433 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.258 9.756 14.933 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.600 8.239 14.353 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.734 9.265 14.576 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.988 10.647 15.353 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.359 10.462 17.567 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.561 8.968 18.489 1.00 0.00 H new ATOM 830 N ASP A 53 1.039 11.914 13.297 1.00 0.00 N ATOM 831 CA ASP A 53 1.264 13.359 13.399 1.00 0.00 C ATOM 832 C ASP A 53 1.115 14.022 12.038 1.00 0.00 C ATOM 833 O ASP A 53 0.299 14.926 11.867 1.00 0.00 O ATOM 834 CB ASP A 53 2.662 13.641 13.961 1.00 0.00 C ATOM 835 CG ASP A 53 2.756 15.090 14.425 1.00 0.00 C ATOM 836 OD1 ASP A 53 2.309 15.369 15.525 1.00 0.00 O ATOM 837 OD2 ASP A 53 3.272 15.900 13.671 1.00 0.00 O ATOM 0 H ASP A 53 1.878 11.344 13.400 1.00 0.00 H new ATOM 0 HA ASP A 53 0.516 13.773 14.075 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.870 12.970 14.794 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.416 13.445 13.198 1.00 0.00 H new ATOM 842 N VAL A 54 1.894 13.572 11.068 1.00 0.00 N ATOM 843 CA VAL A 54 1.815 14.137 9.732 1.00 0.00 C ATOM 844 C VAL A 54 0.352 14.227 9.290 1.00 0.00 C ATOM 845 O VAL A 54 -0.029 15.127 8.543 1.00 0.00 O ATOM 846 CB VAL A 54 2.623 13.269 8.749 1.00 0.00 C ATOM 847 CG1 VAL A 54 1.810 12.021 8.365 1.00 0.00 C ATOM 848 CG2 VAL A 54 2.953 14.089 7.487 1.00 0.00 C ATOM 0 H VAL A 54 2.581 12.826 11.178 1.00 0.00 H new ATOM 0 HA VAL A 54 2.238 15.141 9.740 1.00 0.00 H new ATOM 0 HB VAL A 54 3.551 12.954 9.225 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.387 11.411 7.670 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.590 11.440 9.261 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.877 12.326 7.892 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.525 13.474 6.792 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.027 14.411 7.010 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.541 14.964 7.765 1.00 0.00 H new ATOM 858 N ALA A 55 -0.458 13.291 9.772 1.00 0.00 N ATOM 859 CA ALA A 55 -1.875 13.267 9.440 1.00 0.00 C ATOM 860 C ALA A 55 -2.605 14.432 10.107 1.00 0.00 C ATOM 861 O ALA A 55 -3.562 14.973 9.554 1.00 0.00 O ATOM 862 CB ALA A 55 -2.491 11.938 9.900 1.00 0.00 C ATOM 0 H ALA A 55 -0.157 12.540 10.393 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.981 13.364 8.360 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.552 11.923 9.650 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.988 11.111 9.398 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.371 11.835 10.978 1.00 0.00 H new ATOM 868 N GLN A 56 -2.150 14.811 11.298 1.00 0.00 N ATOM 869 CA GLN A 56 -2.775 15.911 12.029 1.00 0.00 C ATOM 870 C GLN A 56 -2.569 17.236 11.304 1.00 0.00 C ATOM 871 O GLN A 56 -3.526 17.975 11.071 1.00 0.00 O ATOM 872 CB GLN A 56 -2.194 16.007 13.438 1.00 0.00 C ATOM 873 CG GLN A 56 -2.696 14.833 14.280 1.00 0.00 C ATOM 874 CD GLN A 56 -2.008 14.836 15.641 1.00 0.00 C ATOM 875 OE1 GLN A 56 -0.967 15.472 15.811 1.00 0.00 O ATOM 876 NE2 GLN A 56 -2.531 14.161 16.628 1.00 0.00 N ATOM 0 H GLN A 56 -1.359 14.378 11.774 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.844 15.708 12.089 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.105 15.997 13.395 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.486 16.950 13.900 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.776 14.903 14.409 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.497 13.893 13.765 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.393 13.635 16.486 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.078 14.160 17.542 1.00 0.00 H new ATOM 885 N ARG A 57 -1.325 17.540 10.948 1.00 0.00 N ATOM 886 CA ARG A 57 -1.042 18.791 10.252 1.00 0.00 C ATOM 887 C ARG A 57 -1.637 18.761 8.851 1.00 0.00 C ATOM 888 O ARG A 57 -2.219 19.743 8.392 1.00 0.00 O ATOM 889 CB ARG A 57 0.466 19.042 10.183 1.00 0.00 C ATOM 890 CG ARG A 57 1.180 17.836 9.562 1.00 0.00 C ATOM 891 CD ARG A 57 2.644 17.843 9.997 1.00 0.00 C ATOM 892 NE ARG A 57 3.204 19.187 9.856 1.00 0.00 N ATOM 893 CZ ARG A 57 4.193 19.614 10.641 1.00 0.00 C ATOM 894 NH1 ARG A 57 4.687 18.827 11.557 1.00 0.00 N ATOM 895 NH2 ARG A 57 4.669 20.819 10.491 1.00 0.00 N ATOM 0 H ARG A 57 -0.511 16.951 11.125 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.500 19.607 10.811 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.666 19.935 9.591 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.856 19.228 11.183 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.698 16.911 9.878 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.111 17.877 8.475 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.725 17.514 11.033 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.214 17.138 9.393 1.00 0.00 H new ATOM 0 HE ARG A 57 2.829 19.811 9.141 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.316 17.884 11.673 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.444 19.155 12.157 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.284 21.434 9.774 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.426 21.147 11.091 1.00 0.00 H new ATOM 909 N LEU A 58 -1.501 17.622 8.179 1.00 0.00 N ATOM 910 CA LEU A 58 -2.050 17.477 6.834 1.00 0.00 C ATOM 911 C LEU A 58 -3.577 17.467 6.896 1.00 0.00 C ATOM 912 O LEU A 58 -4.253 17.533 5.869 1.00 0.00 O ATOM 913 CB LEU A 58 -1.561 16.171 6.190 1.00 0.00 C ATOM 914 CG LEU A 58 -0.068 16.267 5.831 1.00 0.00 C ATOM 915 CD1 LEU A 58 0.397 14.913 5.283 1.00 0.00 C ATOM 916 CD2 LEU A 58 0.157 17.360 4.757 1.00 0.00 C ATOM 0 H LEU A 58 -1.022 16.796 8.537 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.711 18.319 6.231 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.722 15.339 6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.143 15.962 5.292 1.00 0.00 H new ATOM 0 HG LEU A 58 0.501 16.529 6.723 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.455 14.969 5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.248 14.143 6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.181 14.663 4.393 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.218 17.417 4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.409 17.110 3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.179 18.323 5.142 1.00 0.00 H new ATOM 928 N ASN A 59 -4.108 17.378 8.112 1.00 0.00 N ATOM 929 CA ASN A 59 -5.556 17.350 8.315 1.00 0.00 C ATOM 930 C ASN A 59 -6.163 16.143 7.611 1.00 0.00 C ATOM 931 O ASN A 59 -7.012 16.276 6.729 1.00 0.00 O ATOM 932 CB ASN A 59 -6.192 18.632 7.791 1.00 0.00 C ATOM 933 CG ASN A 59 -7.597 18.792 8.366 1.00 0.00 C ATOM 934 OD1 ASN A 59 -7.937 18.157 9.364 1.00 0.00 O ATOM 935 ND2 ASN A 59 -8.437 19.608 7.790 1.00 0.00 N ATOM 0 H ASN A 59 -3.560 17.324 8.971 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.753 17.273 9.384 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.578 19.490 8.065 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.237 18.607 6.702 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.378 19.721 8.167 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.152 20.133 6.963 1.00 0.00 H new ATOM 942 N MET A 60 -5.710 14.968 8.017 1.00 0.00 N ATOM 943 CA MET A 60 -6.189 13.710 7.442 1.00 0.00 C ATOM 944 C MET A 60 -6.275 12.637 8.525 1.00 0.00 C ATOM 945 O MET A 60 -5.512 12.666 9.485 1.00 0.00 O ATOM 946 CB MET A 60 -5.223 13.249 6.340 1.00 0.00 C ATOM 947 CG MET A 60 -4.760 14.457 5.533 1.00 0.00 C ATOM 948 SD MET A 60 -3.940 13.896 4.020 1.00 0.00 S ATOM 949 CE MET A 60 -4.397 15.302 2.978 1.00 0.00 C ATOM 0 H MET A 60 -5.007 14.853 8.747 1.00 0.00 H new ATOM 0 HA MET A 60 -7.181 13.868 7.018 1.00 0.00 H new ATOM 0 HB2 MET A 60 -4.365 12.743 6.782 1.00 0.00 H new ATOM 0 HB3 MET A 60 -5.716 12.529 5.687 1.00 0.00 H new ATOM 0 HG2 MET A 60 -5.612 15.089 5.284 1.00 0.00 H new ATOM 0 HG3 MET A 60 -4.076 15.063 6.127 1.00 0.00 H new ATOM 0 HE1 MET A 60 -3.987 15.162 1.978 1.00 0.00 H new ATOM 0 HE2 MET A 60 -5.483 15.373 2.918 1.00 0.00 H new ATOM 0 HE3 MET A 60 -3.997 16.220 3.409 1.00 0.00 H new ATOM 959 N PRO A 61 -7.170 11.685 8.389 1.00 0.00 N ATOM 960 CA PRO A 61 -7.306 10.590 9.382 1.00 0.00 C ATOM 961 C PRO A 61 -6.174 9.565 9.232 1.00 0.00 C ATOM 962 O PRO A 61 -5.844 9.146 8.122 1.00 0.00 O ATOM 963 CB PRO A 61 -8.668 9.982 9.058 1.00 0.00 C ATOM 964 CG PRO A 61 -8.863 10.228 7.602 1.00 0.00 C ATOM 965 CD PRO A 61 -8.150 11.547 7.290 1.00 0.00 C ATOM 0 HA PRO A 61 -7.240 10.936 10.413 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.688 8.916 9.284 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -9.458 10.448 9.646 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.448 9.412 7.011 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.923 10.292 7.357 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.659 11.516 6.317 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.848 12.384 7.269 1.00 0.00 H new ATOM 973 N ILE A 62 -5.577 9.195 10.351 1.00 0.00 N ATOM 974 CA ILE A 62 -4.465 8.245 10.350 1.00 0.00 C ATOM 975 C ILE A 62 -4.745 7.025 9.461 1.00 0.00 C ATOM 976 O ILE A 62 -3.831 6.496 8.834 1.00 0.00 O ATOM 977 CB ILE A 62 -4.187 7.786 11.783 1.00 0.00 C ATOM 978 CG1 ILE A 62 -2.875 7.004 11.822 1.00 0.00 C ATOM 979 CG2 ILE A 62 -5.326 6.892 12.270 1.00 0.00 C ATOM 980 CD1 ILE A 62 -2.546 6.622 13.268 1.00 0.00 C ATOM 0 H ILE A 62 -5.840 9.535 11.276 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.593 8.755 9.940 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.112 8.659 12.431 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.956 6.107 11.208 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.069 7.606 11.402 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.123 6.568 13.291 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -6.262 7.450 12.246 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -5.406 6.020 11.622 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.610 6.064 13.293 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.446 7.526 13.869 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.347 6.004 13.672 1.00 0.00 H new ATOM 992 N GLN A 63 -5.999 6.575 9.421 1.00 0.00 N ATOM 993 CA GLN A 63 -6.357 5.399 8.609 1.00 0.00 C ATOM 994 C GLN A 63 -6.171 5.665 7.112 1.00 0.00 C ATOM 995 O GLN A 63 -5.855 4.751 6.352 1.00 0.00 O ATOM 996 CB GLN A 63 -7.807 4.991 8.878 1.00 0.00 C ATOM 997 CG GLN A 63 -8.688 6.236 8.948 1.00 0.00 C ATOM 998 CD GLN A 63 -10.156 5.844 8.816 1.00 0.00 C ATOM 999 OE1 GLN A 63 -10.466 4.714 8.441 1.00 0.00 O ATOM 1000 NE2 GLN A 63 -11.083 6.718 9.102 1.00 0.00 N ATOM 0 H GLN A 63 -6.777 6.995 9.930 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.687 4.589 8.897 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -8.161 4.328 8.089 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.871 4.436 9.814 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.525 6.754 9.893 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.415 6.930 8.153 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -10.823 7.654 9.413 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.067 6.465 9.015 1.00 0.00 H new ATOM 1009 N ASP A 64 -6.364 6.906 6.694 1.00 0.00 N ATOM 1010 CA ASP A 64 -6.203 7.250 5.275 1.00 0.00 C ATOM 1011 C ASP A 64 -4.741 7.522 4.953 1.00 0.00 C ATOM 1012 O ASP A 64 -4.262 7.190 3.871 1.00 0.00 O ATOM 1013 CB ASP A 64 -7.025 8.481 4.932 1.00 0.00 C ATOM 1014 CG ASP A 64 -6.831 8.844 3.465 1.00 0.00 C ATOM 1015 OD1 ASP A 64 -7.463 8.218 2.631 1.00 0.00 O ATOM 1016 OD2 ASP A 64 -6.052 9.745 3.195 1.00 0.00 O ATOM 0 H ASP A 64 -6.628 7.685 7.298 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.551 6.404 4.682 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.080 8.292 5.132 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.726 9.316 5.565 1.00 0.00 H new ATOM 1021 N VAL A 65 -4.039 8.130 5.899 1.00 0.00 N ATOM 1022 CA VAL A 65 -2.629 8.446 5.705 1.00 0.00 C ATOM 1023 C VAL A 65 -1.802 7.171 5.590 1.00 0.00 C ATOM 1024 O VAL A 65 -0.963 7.047 4.699 1.00 0.00 O ATOM 1025 CB VAL A 65 -2.121 9.298 6.874 1.00 0.00 C ATOM 1026 CG1 VAL A 65 -0.627 9.592 6.694 1.00 0.00 C ATOM 1027 CG2 VAL A 65 -2.900 10.623 6.915 1.00 0.00 C ATOM 0 H VAL A 65 -4.418 8.413 6.803 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.524 9.009 4.777 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.270 8.754 7.807 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.272 10.198 7.528 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.072 8.654 6.665 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.473 10.134 5.761 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.541 11.231 7.745 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.750 11.162 5.980 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.962 10.417 7.049 1.00 0.00 H new ATOM 1037 N VAL A 66 -2.039 6.225 6.490 1.00 0.00 N ATOM 1038 CA VAL A 66 -1.303 4.968 6.460 1.00 0.00 C ATOM 1039 C VAL A 66 -1.550 4.253 5.138 1.00 0.00 C ATOM 1040 O VAL A 66 -0.640 3.659 4.561 1.00 0.00 O ATOM 1041 CB VAL A 66 -1.740 4.076 7.622 1.00 0.00 C ATOM 1042 CG1 VAL A 66 -3.242 3.821 7.522 1.00 0.00 C ATOM 1043 CG2 VAL A 66 -0.991 2.739 7.559 1.00 0.00 C ATOM 0 H VAL A 66 -2.726 6.302 7.240 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.238 5.180 6.557 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.512 4.572 8.566 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.559 3.185 8.349 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.776 4.770 7.569 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.465 3.326 6.577 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.305 2.106 8.389 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.216 2.240 6.617 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.082 2.919 7.627 1.00 0.00 H new ATOM 1053 N LYS A 67 -2.791 4.324 4.659 1.00 0.00 N ATOM 1054 CA LYS A 67 -3.147 3.686 3.398 1.00 0.00 C ATOM 1055 C LYS A 67 -2.373 4.319 2.244 1.00 0.00 C ATOM 1056 O LYS A 67 -1.607 3.645 1.556 1.00 0.00 O ATOM 1057 CB LYS A 67 -4.650 3.828 3.144 1.00 0.00 C ATOM 1058 CG LYS A 67 -5.005 3.193 1.790 1.00 0.00 C ATOM 1059 CD LYS A 67 -6.521 2.910 1.722 1.00 0.00 C ATOM 1060 CE LYS A 67 -6.819 1.523 2.308 1.00 0.00 C ATOM 1061 NZ LYS A 67 -8.284 1.391 2.552 1.00 0.00 N ATOM 0 H LYS A 67 -3.558 4.812 5.121 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.889 2.629 3.461 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.212 3.344 3.943 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.932 4.881 3.149 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.714 3.860 0.979 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.447 2.266 1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.068 3.674 2.275 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.863 2.959 0.688 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.482 0.746 1.621 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.270 1.384 3.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.484 0.458 2.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.595 2.134 3.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.796 1.489 1.652 1.00 0.00 H new ATOM 1075 N ALA A 68 -2.582 5.616 2.036 1.00 0.00 N ATOM 1076 CA ALA A 68 -1.900 6.329 0.958 1.00 0.00 C ATOM 1077 C ALA A 68 -0.394 6.089 1.018 1.00 0.00 C ATOM 1078 O ALA A 68 0.270 5.979 -0.011 1.00 0.00 O ATOM 1079 CB ALA A 68 -2.179 7.828 1.071 1.00 0.00 C ATOM 0 H ALA A 68 -3.213 6.192 2.594 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.277 5.954 0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.668 8.355 0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.252 8.005 0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.816 8.194 2.031 1.00 0.00 H new ATOM 1085 N PHE A 69 0.135 6.019 2.232 1.00 0.00 N ATOM 1086 CA PHE A 69 1.565 5.803 2.427 1.00 0.00 C ATOM 1087 C PHE A 69 2.014 4.503 1.757 1.00 0.00 C ATOM 1088 O PHE A 69 3.062 4.457 1.116 1.00 0.00 O ATOM 1089 CB PHE A 69 1.880 5.754 3.939 1.00 0.00 C ATOM 1090 CG PHE A 69 2.126 7.160 4.475 1.00 0.00 C ATOM 1091 CD1 PHE A 69 1.451 8.265 3.922 1.00 0.00 C ATOM 1092 CD2 PHE A 69 3.034 7.354 5.526 1.00 0.00 C ATOM 1093 CE1 PHE A 69 1.688 9.549 4.421 1.00 0.00 C ATOM 1094 CE2 PHE A 69 3.267 8.643 6.020 1.00 0.00 C ATOM 1095 CZ PHE A 69 2.593 9.738 5.467 1.00 0.00 C ATOM 0 H PHE A 69 -0.401 6.108 3.095 1.00 0.00 H new ATOM 0 HA PHE A 69 2.109 6.629 1.969 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.050 5.293 4.475 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.758 5.132 4.114 1.00 0.00 H new ATOM 0 HD1 PHE A 69 0.751 8.121 3.113 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.553 6.509 5.954 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.170 10.396 3.997 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.967 8.793 6.828 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.773 10.731 5.850 1.00 0.00 H new ATOM 1105 N GLY A 70 1.220 3.451 1.914 1.00 0.00 N ATOM 1106 CA GLY A 70 1.555 2.158 1.324 1.00 0.00 C ATOM 1107 C GLY A 70 1.538 2.220 -0.203 1.00 0.00 C ATOM 1108 O GLY A 70 2.331 1.557 -0.867 1.00 0.00 O ATOM 0 H GLY A 70 0.346 3.465 2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.542 1.845 1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.845 1.405 1.667 1.00 0.00 H new ATOM 1112 N GLN A 71 0.625 3.011 -0.755 1.00 0.00 N ATOM 1113 CA GLN A 71 0.516 3.136 -2.205 1.00 0.00 C ATOM 1114 C GLN A 71 1.812 3.685 -2.808 1.00 0.00 C ATOM 1115 O GLN A 71 2.333 3.141 -3.781 1.00 0.00 O ATOM 1116 CB GLN A 71 -0.656 4.066 -2.559 1.00 0.00 C ATOM 1117 CG GLN A 71 -1.971 3.286 -2.488 1.00 0.00 C ATOM 1118 CD GLN A 71 -3.152 4.248 -2.548 1.00 0.00 C ATOM 1119 OE1 GLN A 71 -3.622 4.721 -1.513 1.00 0.00 O ATOM 1120 NE2 GLN A 71 -3.662 4.569 -3.706 1.00 0.00 N ATOM 0 H GLN A 71 -0.045 3.571 -0.227 1.00 0.00 H new ATOM 0 HA GLN A 71 0.337 2.145 -2.622 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.685 4.910 -1.870 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.518 4.476 -3.559 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.027 2.576 -3.313 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.010 2.706 -1.566 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.271 4.176 -4.562 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.452 5.213 -3.755 1.00 0.00 H new ATOM 1129 N PHE A 72 2.317 4.767 -2.232 1.00 0.00 N ATOM 1130 CA PHE A 72 3.546 5.384 -2.728 1.00 0.00 C ATOM 1131 C PHE A 72 4.766 4.510 -2.409 1.00 0.00 C ATOM 1132 O PHE A 72 5.657 4.349 -3.242 1.00 0.00 O ATOM 1133 CB PHE A 72 3.722 6.781 -2.083 1.00 0.00 C ATOM 1134 CG PHE A 72 3.241 7.862 -3.035 1.00 0.00 C ATOM 1135 CD1 PHE A 72 3.863 8.022 -4.279 1.00 0.00 C ATOM 1136 CD2 PHE A 72 2.177 8.700 -2.673 1.00 0.00 C ATOM 1137 CE1 PHE A 72 3.424 9.017 -5.159 1.00 0.00 C ATOM 1138 CE2 PHE A 72 1.738 9.694 -3.554 1.00 0.00 C ATOM 1139 CZ PHE A 72 2.362 9.853 -4.797 1.00 0.00 C ATOM 0 H PHE A 72 1.901 5.235 -1.427 1.00 0.00 H new ATOM 0 HA PHE A 72 3.469 5.485 -3.811 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.161 6.832 -1.150 1.00 0.00 H new ATOM 0 HB3 PHE A 72 4.770 6.945 -1.834 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.682 7.377 -4.560 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.696 8.578 -1.714 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.905 9.140 -6.118 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.918 10.339 -3.275 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.024 10.621 -5.477 1.00 0.00 H new ATOM 1149 N LEU A 73 4.806 3.967 -1.197 1.00 0.00 N ATOM 1150 CA LEU A 73 5.934 3.134 -0.788 1.00 0.00 C ATOM 1151 C LEU A 73 6.250 2.080 -1.848 1.00 0.00 C ATOM 1152 O LEU A 73 7.412 1.852 -2.181 1.00 0.00 O ATOM 1153 CB LEU A 73 5.634 2.450 0.561 1.00 0.00 C ATOM 1154 CG LEU A 73 6.951 2.276 1.360 1.00 0.00 C ATOM 1155 CD1 LEU A 73 7.231 3.541 2.179 1.00 0.00 C ATOM 1156 CD2 LEU A 73 6.827 1.079 2.304 1.00 0.00 C ATOM 0 H LEU A 73 4.082 4.085 -0.488 1.00 0.00 H new ATOM 0 HA LEU A 73 6.805 3.779 -0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.926 3.048 1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.168 1.479 0.392 1.00 0.00 H new ATOM 0 HG LEU A 73 7.771 2.106 0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.158 3.414 2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.326 4.395 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.409 3.715 2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.755 0.960 2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.003 1.247 2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.635 0.176 1.724 1.00 0.00 H new ATOM 1168 N PHE A 74 5.214 1.440 -2.371 1.00 0.00 N ATOM 1169 CA PHE A 74 5.400 0.414 -3.390 1.00 0.00 C ATOM 1170 C PHE A 74 6.030 1.007 -4.649 1.00 0.00 C ATOM 1171 O PHE A 74 6.949 0.429 -5.226 1.00 0.00 O ATOM 1172 CB PHE A 74 4.055 -0.214 -3.747 1.00 0.00 C ATOM 1173 CG PHE A 74 4.285 -1.407 -4.638 1.00 0.00 C ATOM 1174 CD1 PHE A 74 4.394 -1.236 -6.022 1.00 0.00 C ATOM 1175 CD2 PHE A 74 4.397 -2.684 -4.079 1.00 0.00 C ATOM 1176 CE1 PHE A 74 4.614 -2.345 -6.848 1.00 0.00 C ATOM 1177 CE2 PHE A 74 4.616 -3.791 -4.902 1.00 0.00 C ATOM 1178 CZ PHE A 74 4.724 -3.622 -6.288 1.00 0.00 C ATOM 0 H PHE A 74 4.243 1.610 -2.110 1.00 0.00 H new ATOM 0 HA PHE A 74 6.068 -0.348 -2.988 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.530 -0.518 -2.841 1.00 0.00 H new ATOM 0 HB3 PHE A 74 3.422 0.516 -4.252 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.309 -0.249 -6.453 1.00 0.00 H new ATOM 0 HD2 PHE A 74 4.314 -2.814 -3.010 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.699 -2.214 -7.917 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.702 -4.777 -4.470 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.892 -4.478 -6.925 1.00 0.00 H new ATOM 1188 N ASN A 75 5.516 2.154 -5.073 1.00 0.00 N ATOM 1189 CA ASN A 75 6.021 2.815 -6.272 1.00 0.00 C ATOM 1190 C ASN A 75 7.528 3.071 -6.179 1.00 0.00 C ATOM 1191 O ASN A 75 8.287 2.680 -7.066 1.00 0.00 O ATOM 1192 CB ASN A 75 5.282 4.147 -6.471 1.00 0.00 C ATOM 1193 CG ASN A 75 3.897 3.899 -7.065 1.00 0.00 C ATOM 1194 OD1 ASN A 75 3.473 2.675 -7.218 1.00 0.00 O flip ATOM 1195 ND2 ASN A 75 3.185 4.846 -7.398 1.00 0.00 N flip ATOM 0 H ASN A 75 4.753 2.645 -4.608 1.00 0.00 H new ATOM 0 HA ASN A 75 5.844 2.158 -7.123 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.189 4.665 -5.517 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.858 4.796 -7.131 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.519 5.802 -7.277 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.261 4.675 -7.795 1.00 0.00 H new ATOM 1202 N GLY A 76 7.950 3.741 -5.114 1.00 0.00 N ATOM 1203 CA GLY A 76 9.365 4.057 -4.935 1.00 0.00 C ATOM 1204 C GLY A 76 10.208 2.798 -4.771 1.00 0.00 C ATOM 1205 O GLY A 76 11.278 2.678 -5.368 1.00 0.00 O ATOM 0 H GLY A 76 7.341 4.074 -4.367 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.722 4.625 -5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.488 4.694 -4.059 1.00 0.00 H new ATOM 1209 N LEU A 77 9.729 1.865 -3.960 1.00 0.00 N ATOM 1210 CA LEU A 77 10.464 0.625 -3.733 1.00 0.00 C ATOM 1211 C LEU A 77 10.783 -0.054 -5.062 1.00 0.00 C ATOM 1212 O LEU A 77 11.939 -0.357 -5.353 1.00 0.00 O ATOM 1213 CB LEU A 77 9.639 -0.323 -2.846 1.00 0.00 C ATOM 1214 CG LEU A 77 9.815 0.050 -1.359 1.00 0.00 C ATOM 1215 CD1 LEU A 77 8.834 -0.775 -0.519 1.00 0.00 C ATOM 1216 CD2 LEU A 77 11.267 -0.245 -0.900 1.00 0.00 C ATOM 0 H LEU A 77 8.847 1.939 -3.453 1.00 0.00 H new ATOM 0 HA LEU A 77 11.399 0.863 -3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.586 -0.265 -3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.955 -1.353 -3.010 1.00 0.00 H new ATOM 0 HG LEU A 77 9.616 1.114 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.951 -0.518 0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.813 -0.558 -0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.039 -1.836 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.378 0.023 0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.481 -1.306 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.964 0.341 -1.499 1.00 0.00 H new ATOM 1228 N ALA A 78 9.751 -0.290 -5.862 1.00 0.00 N ATOM 1229 CA ALA A 78 9.938 -0.933 -7.156 1.00 0.00 C ATOM 1230 C ALA A 78 11.119 -0.310 -7.893 1.00 0.00 C ATOM 1231 O ALA A 78 11.890 -1.008 -8.550 1.00 0.00 O ATOM 1232 CB ALA A 78 8.673 -0.782 -7.998 1.00 0.00 C ATOM 0 H ALA A 78 8.785 -0.049 -5.641 1.00 0.00 H new ATOM 0 HA ALA A 78 10.141 -1.991 -6.993 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.819 -1.265 -8.964 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.834 -1.250 -7.482 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.461 0.276 -8.150 1.00 0.00 H new ATOM 1238 N SER A 79 11.248 1.007 -7.782 1.00 0.00 N ATOM 1239 CA SER A 79 12.334 1.719 -8.445 1.00 0.00 C ATOM 1240 C SER A 79 13.683 1.359 -7.826 1.00 0.00 C ATOM 1241 O SER A 79 14.723 1.473 -8.474 1.00 0.00 O ATOM 1242 CB SER A 79 12.110 3.226 -8.333 1.00 0.00 C ATOM 1243 OG SER A 79 12.998 3.900 -9.217 1.00 0.00 O ATOM 0 H SER A 79 10.618 1.601 -7.242 1.00 0.00 H new ATOM 0 HA SER A 79 12.343 1.424 -9.494 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.077 3.471 -8.580 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.279 3.555 -7.308 1.00 0.00 H new ATOM 0 HG SER A 79 12.856 4.867 -9.149 1.00 0.00 H new ATOM 1249 N ARG A 80 13.660 0.927 -6.565 1.00 0.00 N ATOM 1250 CA ARG A 80 14.892 0.557 -5.865 1.00 0.00 C ATOM 1251 C ARG A 80 15.170 -0.933 -6.023 1.00 0.00 C ATOM 1252 O ARG A 80 16.324 -1.352 -6.105 1.00 0.00 O ATOM 1253 CB ARG A 80 14.765 0.894 -4.372 1.00 0.00 C ATOM 1254 CG ARG A 80 14.460 2.394 -4.193 1.00 0.00 C ATOM 1255 CD ARG A 80 15.764 3.201 -4.216 1.00 0.00 C ATOM 1256 NE ARG A 80 15.488 4.610 -3.961 1.00 0.00 N ATOM 1257 CZ ARG A 80 15.030 5.407 -4.922 1.00 0.00 C ATOM 1258 NH1 ARG A 80 14.821 4.930 -6.119 1.00 0.00 N ATOM 1259 NH2 ARG A 80 14.791 6.665 -4.669 1.00 0.00 N ATOM 0 H ARG A 80 12.810 0.825 -6.010 1.00 0.00 H new ATOM 0 HA ARG A 80 15.718 1.120 -6.300 1.00 0.00 H new ATOM 0 HB2 ARG A 80 13.971 0.297 -3.923 1.00 0.00 H new ATOM 0 HB3 ARG A 80 15.689 0.638 -3.853 1.00 0.00 H new ATOM 0 HG2 ARG A 80 13.797 2.736 -4.988 1.00 0.00 H new ATOM 0 HG3 ARG A 80 13.938 2.557 -3.250 1.00 0.00 H new ATOM 0 HD2 ARG A 80 16.452 2.816 -3.464 1.00 0.00 H new ATOM 0 HD3 ARG A 80 16.253 3.088 -5.183 1.00 0.00 H new ATOM 0 HE ARG A 80 15.649 4.991 -3.029 1.00 0.00 H new ATOM 0 HH11 ARG A 80 15.009 3.947 -6.316 1.00 0.00 H new ATOM 0 HH12 ARG A 80 14.470 5.540 -6.857 1.00 0.00 H new ATOM 0 HH21 ARG A 80 14.956 7.037 -3.734 1.00 0.00 H new ATOM 0 HH22 ARG A 80 14.440 7.276 -5.407 1.00 0.00 H new ATOM 1273 N HIS A 81 14.100 -1.728 -6.062 1.00 0.00 N ATOM 1274 CA HIS A 81 14.229 -3.183 -6.208 1.00 0.00 C ATOM 1275 C HIS A 81 13.590 -3.642 -7.522 1.00 0.00 C ATOM 1276 O HIS A 81 13.117 -4.774 -7.636 1.00 0.00 O ATOM 1277 CB HIS A 81 13.550 -3.885 -5.014 1.00 0.00 C ATOM 1278 CG HIS A 81 14.526 -4.010 -3.868 1.00 0.00 C ATOM 1279 ND1 HIS A 81 14.525 -5.104 -3.015 1.00 0.00 N ATOM 1280 CD2 HIS A 81 15.534 -3.190 -3.427 1.00 0.00 C ATOM 1281 CE1 HIS A 81 15.506 -4.912 -2.112 1.00 0.00 C ATOM 1282 NE2 HIS A 81 16.151 -3.760 -2.318 1.00 0.00 N ATOM 0 H HIS A 81 13.139 -1.394 -5.995 1.00 0.00 H new ATOM 0 HA HIS A 81 15.286 -3.447 -6.225 1.00 0.00 H new ATOM 0 HB2 HIS A 81 12.675 -3.318 -4.697 1.00 0.00 H new ATOM 0 HB3 HIS A 81 13.199 -4.873 -5.313 1.00 0.00 H new ATOM 0 HD2 HIS A 81 15.807 -2.245 -3.873 1.00 0.00 H new ATOM 0 HE1 HIS A 81 15.742 -5.605 -1.318 1.00 0.00 H new ATOM 0 HE2 HIS A 81 16.929 -3.380 -1.778 1.00 0.00 H new ATOM 1291 N THR A 82 13.583 -2.754 -8.507 1.00 0.00 N ATOM 1292 CA THR A 82 13.008 -3.065 -9.807 1.00 0.00 C ATOM 1293 C THR A 82 13.439 -4.455 -10.279 1.00 0.00 C ATOM 1294 O THR A 82 12.698 -5.137 -10.984 1.00 0.00 O ATOM 1295 CB THR A 82 13.460 -2.010 -10.831 1.00 0.00 C ATOM 1296 OG1 THR A 82 13.560 -0.745 -10.192 1.00 0.00 O ATOM 1297 CG2 THR A 82 12.442 -1.926 -11.969 1.00 0.00 C ATOM 0 H THR A 82 13.969 -1.813 -8.430 1.00 0.00 H new ATOM 0 HA THR A 82 11.922 -3.055 -9.717 1.00 0.00 H new ATOM 0 HB THR A 82 14.431 -2.293 -11.237 1.00 0.00 H new ATOM 0 HG1 THR A 82 12.747 -0.576 -9.671 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.766 -1.178 -12.692 1.00 0.00 H new ATOM 0 HG22 THR A 82 12.365 -2.896 -12.460 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.469 -1.645 -11.567 1.00 0.00 H new ATOM 1305 N ASP A 83 14.644 -4.861 -9.893 1.00 0.00 N ATOM 1306 CA ASP A 83 15.167 -6.165 -10.293 1.00 0.00 C ATOM 1307 C ASP A 83 14.332 -7.296 -9.703 1.00 0.00 C ATOM 1308 O ASP A 83 13.964 -8.238 -10.405 1.00 0.00 O ATOM 1309 CB ASP A 83 16.618 -6.308 -9.832 1.00 0.00 C ATOM 1310 CG ASP A 83 17.214 -7.603 -10.374 1.00 0.00 C ATOM 1311 OD1 ASP A 83 17.640 -7.603 -11.517 1.00 0.00 O ATOM 1312 OD2 ASP A 83 17.232 -8.576 -9.638 1.00 0.00 O ATOM 0 H ASP A 83 15.274 -4.312 -9.308 1.00 0.00 H new ATOM 0 HA ASP A 83 15.118 -6.230 -11.380 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.203 -5.456 -10.178 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.664 -6.305 -8.743 1.00 0.00 H new ATOM 1317 N VAL A 84 14.038 -7.200 -8.413 1.00 0.00 N ATOM 1318 CA VAL A 84 13.246 -8.226 -7.747 1.00 0.00 C ATOM 1319 C VAL A 84 11.806 -8.189 -8.229 1.00 0.00 C ATOM 1320 O VAL A 84 11.221 -9.220 -8.560 1.00 0.00 O ATOM 1321 CB VAL A 84 13.275 -8.009 -6.233 1.00 0.00 C ATOM 1322 CG1 VAL A 84 12.417 -9.077 -5.550 1.00 0.00 C ATOM 1323 CG2 VAL A 84 14.717 -8.115 -5.730 1.00 0.00 C ATOM 0 H VAL A 84 14.332 -6.430 -7.812 1.00 0.00 H new ATOM 0 HA VAL A 84 13.677 -9.198 -7.988 1.00 0.00 H new ATOM 0 HB VAL A 84 12.881 -7.020 -5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 84 12.436 -8.924 -4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 84 11.390 -9.003 -5.909 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.812 -10.066 -5.783 1.00 0.00 H new ATOM 0 HG21 VAL A 84 14.738 -7.960 -4.651 1.00 0.00 H new ATOM 0 HG22 VAL A 84 15.112 -9.104 -5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 84 15.329 -7.356 -6.217 1.00 0.00 H new ATOM 1333 N VAL A 85 11.235 -6.995 -8.246 1.00 0.00 N ATOM 1334 CA VAL A 85 9.855 -6.820 -8.666 1.00 0.00 C ATOM 1335 C VAL A 85 9.650 -7.222 -10.122 1.00 0.00 C ATOM 1336 O VAL A 85 8.758 -7.993 -10.426 1.00 0.00 O ATOM 1337 CB VAL A 85 9.447 -5.356 -8.486 1.00 0.00 C ATOM 1338 CG1 VAL A 85 8.016 -5.154 -8.987 1.00 0.00 C ATOM 1339 CG2 VAL A 85 9.525 -4.984 -7.003 1.00 0.00 C ATOM 0 H VAL A 85 11.707 -6.133 -7.974 1.00 0.00 H new ATOM 0 HA VAL A 85 9.235 -7.467 -8.046 1.00 0.00 H new ATOM 0 HB VAL A 85 10.123 -4.720 -9.058 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.729 -4.111 -8.857 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.960 -5.417 -10.043 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.338 -5.790 -8.418 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.235 -3.941 -6.874 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.851 -5.622 -6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.545 -5.123 -6.646 1.00 0.00 H new ATOM 1349 N ASP A 86 10.473 -6.670 -11.010 1.00 0.00 N ATOM 1350 CA ASP A 86 10.356 -6.948 -12.455 1.00 0.00 C ATOM 1351 C ASP A 86 10.175 -8.443 -12.763 1.00 0.00 C ATOM 1352 O ASP A 86 9.946 -8.813 -13.915 1.00 0.00 O ATOM 1353 CB ASP A 86 11.593 -6.423 -13.187 1.00 0.00 C ATOM 1354 CG ASP A 86 11.508 -6.764 -14.670 1.00 0.00 C ATOM 1355 OD1 ASP A 86 10.815 -6.056 -15.383 1.00 0.00 O ATOM 1356 OD2 ASP A 86 12.135 -7.730 -15.073 1.00 0.00 O ATOM 0 H ASP A 86 11.228 -6.029 -10.765 1.00 0.00 H new ATOM 0 HA ASP A 86 9.460 -6.435 -12.804 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.671 -5.343 -13.058 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.493 -6.861 -12.756 1.00 0.00 H new ATOM 1361 N LYS A 87 10.277 -9.294 -11.752 1.00 0.00 N ATOM 1362 CA LYS A 87 10.118 -10.736 -11.969 1.00 0.00 C ATOM 1363 C LYS A 87 8.635 -11.128 -12.004 1.00 0.00 C ATOM 1364 O LYS A 87 8.293 -12.278 -12.281 1.00 0.00 O ATOM 1365 CB LYS A 87 10.828 -11.507 -10.859 1.00 0.00 C ATOM 1366 CG LYS A 87 12.348 -11.356 -11.023 1.00 0.00 C ATOM 1367 CD LYS A 87 13.046 -11.679 -9.700 1.00 0.00 C ATOM 1368 CE LYS A 87 12.792 -13.137 -9.331 1.00 0.00 C ATOM 1369 NZ LYS A 87 13.153 -14.013 -10.483 1.00 0.00 N ATOM 0 H LYS A 87 10.466 -9.024 -10.787 1.00 0.00 H new ATOM 0 HA LYS A 87 10.562 -10.987 -12.932 1.00 0.00 H new ATOM 0 HB2 LYS A 87 10.517 -11.131 -9.884 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.550 -12.560 -10.898 1.00 0.00 H new ATOM 0 HG2 LYS A 87 12.707 -12.023 -11.807 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.590 -10.340 -11.334 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.117 -11.497 -9.788 1.00 0.00 H new ATOM 0 HD3 LYS A 87 12.675 -11.024 -8.912 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.381 -13.409 -8.455 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.744 -13.279 -9.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.504 -14.926 -10.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.313 -14.172 -11.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.894 -13.553 -11.050 1.00 0.00 H new ATOM 1383 N PHE A 88 7.767 -10.167 -11.702 1.00 0.00 N ATOM 1384 CA PHE A 88 6.317 -10.414 -11.676 1.00 0.00 C ATOM 1385 C PHE A 88 5.660 -10.138 -13.032 1.00 0.00 C ATOM 1386 O PHE A 88 4.711 -10.817 -13.418 1.00 0.00 O ATOM 1387 CB PHE A 88 5.663 -9.508 -10.604 1.00 0.00 C ATOM 1388 CG PHE A 88 5.346 -8.121 -11.191 1.00 0.00 C ATOM 1389 CD1 PHE A 88 6.344 -7.379 -11.839 1.00 0.00 C ATOM 1390 CD2 PHE A 88 4.058 -7.587 -11.076 1.00 0.00 C ATOM 1391 CE1 PHE A 88 6.052 -6.119 -12.367 1.00 0.00 C ATOM 1392 CE2 PHE A 88 3.767 -6.330 -11.605 1.00 0.00 C ATOM 1393 CZ PHE A 88 4.764 -5.595 -12.251 1.00 0.00 C ATOM 0 H PHE A 88 8.035 -9.210 -11.471 1.00 0.00 H new ATOM 0 HA PHE A 88 6.165 -11.467 -11.438 1.00 0.00 H new ATOM 0 HB2 PHE A 88 4.748 -9.972 -10.237 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.332 -9.404 -9.750 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.341 -7.783 -11.930 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.285 -8.151 -10.575 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.823 -5.550 -12.865 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.770 -5.924 -11.515 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.538 -4.622 -12.660 1.00 0.00 H new ATOM 1403 N ASP A 89 6.179 -9.157 -13.735 1.00 0.00 N ATOM 1404 CA ASP A 89 5.645 -8.784 -15.043 1.00 0.00 C ATOM 1405 C ASP A 89 4.111 -8.520 -14.986 1.00 0.00 C ATOM 1406 O ASP A 89 3.548 -7.927 -15.906 1.00 0.00 O ATOM 1407 CB ASP A 89 5.934 -9.892 -16.057 1.00 0.00 C ATOM 1408 CG ASP A 89 7.440 -10.042 -16.250 1.00 0.00 C ATOM 1409 OD1 ASP A 89 8.162 -9.154 -15.828 1.00 0.00 O ATOM 1410 OD2 ASP A 89 7.848 -11.043 -16.816 1.00 0.00 O ATOM 0 H ASP A 89 6.974 -8.596 -13.429 1.00 0.00 H new ATOM 0 HA ASP A 89 6.136 -7.860 -15.349 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.508 -10.834 -15.711 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.458 -9.658 -17.009 1.00 0.00 H new ATOM 1415 N ASP A 90 3.446 -8.978 -13.907 1.00 0.00 N ATOM 1416 CA ASP A 90 1.997 -8.796 -13.764 1.00 0.00 C ATOM 1417 C ASP A 90 1.553 -8.983 -12.300 1.00 0.00 C ATOM 1418 O ASP A 90 2.105 -9.803 -11.566 1.00 0.00 O ATOM 1419 CB ASP A 90 1.256 -9.795 -14.654 1.00 0.00 C ATOM 1420 CG ASP A 90 1.652 -11.219 -14.282 1.00 0.00 C ATOM 1421 OD1 ASP A 90 2.370 -11.378 -13.310 1.00 0.00 O ATOM 1422 OD2 ASP A 90 1.230 -12.130 -14.975 1.00 0.00 O ATOM 0 H ASP A 90 3.888 -9.471 -13.131 1.00 0.00 H new ATOM 0 HA ASP A 90 1.754 -7.779 -14.070 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.180 -9.667 -14.540 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.491 -9.605 -15.701 1.00 0.00 H new ATOM 1427 N PHE A 91 0.553 -8.200 -11.905 1.00 0.00 N ATOM 1428 CA PHE A 91 0.006 -8.225 -10.537 1.00 0.00 C ATOM 1429 C PHE A 91 -0.332 -9.639 -10.040 1.00 0.00 C ATOM 1430 O PHE A 91 -0.176 -9.933 -8.856 1.00 0.00 O ATOM 1431 CB PHE A 91 -1.265 -7.375 -10.515 1.00 0.00 C ATOM 1432 CG PHE A 91 -1.696 -7.118 -9.095 1.00 0.00 C ATOM 1433 CD1 PHE A 91 -1.140 -6.054 -8.379 1.00 0.00 C ATOM 1434 CD2 PHE A 91 -2.664 -7.934 -8.498 1.00 0.00 C ATOM 1435 CE1 PHE A 91 -1.552 -5.804 -7.065 1.00 0.00 C ATOM 1436 CE2 PHE A 91 -3.074 -7.687 -7.185 1.00 0.00 C ATOM 1437 CZ PHE A 91 -2.519 -6.620 -6.468 1.00 0.00 C ATOM 0 H PHE A 91 0.094 -7.527 -12.519 1.00 0.00 H new ATOM 0 HA PHE A 91 0.774 -7.833 -9.870 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -1.087 -6.428 -11.025 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -2.061 -7.885 -11.058 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -0.393 -5.425 -8.840 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.094 -8.755 -9.052 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -1.123 -4.981 -6.512 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.819 -8.319 -6.724 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.837 -6.427 -5.454 1.00 0.00 H new ATOM 1447 N THR A 92 -0.813 -10.498 -10.926 1.00 0.00 N ATOM 1448 CA THR A 92 -1.188 -11.859 -10.526 1.00 0.00 C ATOM 1449 C THR A 92 0.015 -12.661 -10.022 1.00 0.00 C ATOM 1450 O THR A 92 -0.060 -13.323 -8.988 1.00 0.00 O ATOM 1451 CB THR A 92 -1.823 -12.593 -11.708 1.00 0.00 C ATOM 1452 OG1 THR A 92 -2.980 -11.885 -12.136 1.00 0.00 O ATOM 1453 CG2 THR A 92 -2.217 -14.009 -11.280 1.00 0.00 C ATOM 0 H THR A 92 -0.954 -10.288 -11.914 1.00 0.00 H new ATOM 0 HA THR A 92 -1.903 -11.772 -9.708 1.00 0.00 H new ATOM 0 HB THR A 92 -1.107 -12.651 -12.528 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.388 -12.353 -12.895 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.669 -14.531 -12.123 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.330 -14.550 -10.952 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.933 -13.955 -10.460 1.00 0.00 H new ATOM 1461 N SER A 93 1.106 -12.616 -10.768 1.00 0.00 N ATOM 1462 CA SER A 93 2.306 -13.366 -10.397 1.00 0.00 C ATOM 1463 C SER A 93 2.922 -12.844 -9.094 1.00 0.00 C ATOM 1464 O SER A 93 3.635 -13.571 -8.403 1.00 0.00 O ATOM 1465 CB SER A 93 3.338 -13.269 -11.513 1.00 0.00 C ATOM 1466 OG SER A 93 3.852 -11.948 -11.557 1.00 0.00 O ATOM 0 H SER A 93 1.191 -12.074 -11.628 1.00 0.00 H new ATOM 0 HA SER A 93 2.013 -14.404 -10.243 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.145 -13.981 -11.341 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.883 -13.527 -12.469 1.00 0.00 H new ATOM 0 HG SER A 93 3.682 -11.560 -12.441 1.00 0.00 H new ATOM 1472 N LEU A 94 2.663 -11.580 -8.779 1.00 0.00 N ATOM 1473 CA LEU A 94 3.221 -10.970 -7.568 1.00 0.00 C ATOM 1474 C LEU A 94 2.506 -11.455 -6.313 1.00 0.00 C ATOM 1475 O LEU A 94 3.100 -12.127 -5.487 1.00 0.00 O ATOM 1476 CB LEU A 94 3.112 -9.439 -7.659 1.00 0.00 C ATOM 1477 CG LEU A 94 4.153 -8.763 -6.751 1.00 0.00 C ATOM 1478 CD1 LEU A 94 4.261 -7.284 -7.126 1.00 0.00 C ATOM 1479 CD2 LEU A 94 3.728 -8.884 -5.280 1.00 0.00 C ATOM 0 H LEU A 94 2.076 -10.959 -9.336 1.00 0.00 H new ATOM 0 HA LEU A 94 4.267 -11.267 -7.498 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.261 -9.120 -8.691 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.110 -9.123 -7.369 1.00 0.00 H new ATOM 0 HG LEU A 94 5.117 -9.253 -6.884 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.998 -6.799 -6.486 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.570 -7.194 -8.167 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.292 -6.803 -6.993 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.472 -8.402 -4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.762 -8.399 -5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.648 -9.937 -5.010 1.00 0.00 H new ATOM 1491 N VAL A 95 1.248 -11.083 -6.165 1.00 0.00 N ATOM 1492 CA VAL A 95 0.477 -11.468 -4.977 1.00 0.00 C ATOM 1493 C VAL A 95 0.833 -12.880 -4.487 1.00 0.00 C ATOM 1494 O VAL A 95 0.966 -13.108 -3.287 1.00 0.00 O ATOM 1495 CB VAL A 95 -1.015 -11.393 -5.286 1.00 0.00 C ATOM 1496 CG1 VAL A 95 -1.822 -11.798 -4.049 1.00 0.00 C ATOM 1497 CG2 VAL A 95 -1.379 -9.956 -5.676 1.00 0.00 C ATOM 0 H VAL A 95 0.734 -10.519 -6.842 1.00 0.00 H new ATOM 0 HA VAL A 95 0.731 -10.769 -4.180 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.247 -12.071 -6.107 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.887 -11.743 -4.275 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.564 -12.818 -3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.590 -11.122 -3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.445 -9.898 -5.898 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.143 -9.284 -4.851 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.809 -9.663 -6.557 1.00 0.00 H new ATOM 1507 N MET A 96 0.965 -13.821 -5.406 1.00 0.00 N ATOM 1508 CA MET A 96 1.283 -15.200 -5.025 1.00 0.00 C ATOM 1509 C MET A 96 2.783 -15.383 -4.772 1.00 0.00 C ATOM 1510 O MET A 96 3.200 -16.362 -4.153 1.00 0.00 O ATOM 1511 CB MET A 96 0.830 -16.160 -6.129 1.00 0.00 C ATOM 1512 CG MET A 96 1.538 -15.810 -7.444 1.00 0.00 C ATOM 1513 SD MET A 96 3.192 -16.546 -7.454 1.00 0.00 S ATOM 1514 CE MET A 96 2.725 -18.145 -8.161 1.00 0.00 C ATOM 0 H MET A 96 0.860 -13.667 -6.409 1.00 0.00 H new ATOM 0 HA MET A 96 0.753 -15.421 -4.098 1.00 0.00 H new ATOM 0 HB2 MET A 96 1.057 -17.188 -5.846 1.00 0.00 H new ATOM 0 HB3 MET A 96 -0.250 -16.096 -6.259 1.00 0.00 H new ATOM 0 HG2 MET A 96 0.959 -16.179 -8.291 1.00 0.00 H new ATOM 0 HG3 MET A 96 1.609 -14.728 -7.554 1.00 0.00 H new ATOM 0 HE1 MET A 96 3.611 -18.773 -8.258 1.00 0.00 H new ATOM 0 HE2 MET A 96 2.003 -18.635 -7.508 1.00 0.00 H new ATOM 0 HE3 MET A 96 2.279 -17.992 -9.144 1.00 0.00 H new ATOM 1524 N GLY A 97 3.588 -14.453 -5.279 1.00 0.00 N ATOM 1525 CA GLY A 97 5.051 -14.547 -5.122 1.00 0.00 C ATOM 1526 C GLY A 97 5.581 -13.629 -4.018 1.00 0.00 C ATOM 1527 O GLY A 97 6.786 -13.586 -3.770 1.00 0.00 O ATOM 0 H GLY A 97 3.266 -13.635 -5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 97 5.324 -15.578 -4.895 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.532 -14.290 -6.066 1.00 0.00 H new ATOM 1531 N ILE A 98 4.693 -12.897 -3.364 1.00 0.00 N ATOM 1532 CA ILE A 98 5.112 -11.985 -2.302 1.00 0.00 C ATOM 1533 C ILE A 98 6.110 -12.657 -1.368 1.00 0.00 C ATOM 1534 O ILE A 98 7.321 -12.582 -1.582 1.00 0.00 O ATOM 1535 CB ILE A 98 3.901 -11.513 -1.501 1.00 0.00 C ATOM 1536 CG1 ILE A 98 2.961 -10.736 -2.420 1.00 0.00 C ATOM 1537 CG2 ILE A 98 4.369 -10.596 -0.370 1.00 0.00 C ATOM 1538 CD1 ILE A 98 1.628 -10.492 -1.710 1.00 0.00 C ATOM 0 H ILE A 98 3.689 -12.913 -3.544 1.00 0.00 H new ATOM 0 HA ILE A 98 5.594 -11.126 -2.769 1.00 0.00 H new ATOM 0 HB ILE A 98 3.380 -12.375 -1.084 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.414 -9.785 -2.699 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.796 -11.293 -3.342 1.00 0.00 H new ATOM 0 HG21 ILE A 98 3.507 -10.257 0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.048 -11.143 0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 98 4.886 -9.734 -0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 98 0.961 -9.937 -2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 98 1.172 -11.448 -1.453 1.00 0.00 H new ATOM 0 HD13 ILE A 98 1.800 -9.916 -0.801 1.00 0.00 H new ATOM 1550 N HIS A 99 5.605 -13.311 -0.333 1.00 0.00 N ATOM 1551 CA HIS A 99 6.469 -13.983 0.626 1.00 0.00 C ATOM 1552 C HIS A 99 7.604 -14.716 -0.085 1.00 0.00 C ATOM 1553 O HIS A 99 8.775 -14.581 0.272 1.00 0.00 O ATOM 1554 CB HIS A 99 5.650 -14.986 1.442 1.00 0.00 C ATOM 1555 CG HIS A 99 4.928 -15.921 0.512 1.00 0.00 C ATOM 1556 ND1 HIS A 99 3.974 -15.475 -0.392 1.00 0.00 N ATOM 1557 CD2 HIS A 99 5.006 -17.280 0.334 1.00 0.00 C ATOM 1558 CE1 HIS A 99 3.523 -16.550 -1.066 1.00 0.00 C ATOM 1559 NE2 HIS A 99 4.118 -17.674 -0.661 1.00 0.00 N ATOM 0 H HIS A 99 4.607 -13.391 -0.136 1.00 0.00 H new ATOM 0 HA HIS A 99 6.900 -13.231 1.287 1.00 0.00 H new ATOM 0 HB2 HIS A 99 6.304 -15.551 2.106 1.00 0.00 H new ATOM 0 HB3 HIS A 99 4.934 -14.459 2.073 1.00 0.00 H new ATOM 0 HD2 HIS A 99 5.658 -17.943 0.883 1.00 0.00 H new ATOM 0 HE1 HIS A 99 2.771 -16.508 -1.840 1.00 0.00 H new ATOM 0 HE2 HIS A 99 3.956 -18.620 -1.007 1.00 0.00 H new ATOM 1568 N ASP A 100 7.231 -15.505 -1.075 1.00 0.00 N ATOM 1569 CA ASP A 100 8.182 -16.299 -1.843 1.00 0.00 C ATOM 1570 C ASP A 100 9.493 -15.555 -2.157 1.00 0.00 C ATOM 1571 O ASP A 100 10.402 -15.508 -1.339 1.00 0.00 O ATOM 1572 CB ASP A 100 7.535 -16.736 -3.155 1.00 0.00 C ATOM 1573 CG ASP A 100 6.296 -17.579 -2.870 1.00 0.00 C ATOM 1574 OD1 ASP A 100 6.238 -18.169 -1.806 1.00 0.00 O ATOM 1575 OD2 ASP A 100 5.425 -17.623 -3.724 1.00 0.00 O ATOM 0 H ASP A 100 6.262 -15.616 -1.372 1.00 0.00 H new ATOM 0 HA ASP A 100 8.442 -17.157 -1.223 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.262 -15.861 -3.745 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.247 -17.310 -3.748 1.00 0.00 H new ATOM 1580 N VAL A 101 9.588 -15.048 -3.387 1.00 0.00 N ATOM 1581 CA VAL A 101 10.804 -14.381 -3.874 1.00 0.00 C ATOM 1582 C VAL A 101 10.991 -12.945 -3.362 1.00 0.00 C ATOM 1583 O VAL A 101 12.086 -12.569 -2.943 1.00 0.00 O ATOM 1584 CB VAL A 101 10.767 -14.366 -5.415 1.00 0.00 C ATOM 1585 CG1 VAL A 101 10.251 -15.717 -5.924 1.00 0.00 C ATOM 1586 CG2 VAL A 101 9.831 -13.255 -5.918 1.00 0.00 C ATOM 0 H VAL A 101 8.833 -15.086 -4.072 1.00 0.00 H new ATOM 0 HA VAL A 101 11.649 -14.950 -3.486 1.00 0.00 H new ATOM 0 HB VAL A 101 11.775 -14.182 -5.787 1.00 0.00 H new ATOM 0 HG11 VAL A 101 10.224 -15.709 -7.014 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.915 -16.512 -5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 101 9.247 -15.892 -5.537 1.00 0.00 H new ATOM 0 HG21 VAL A 101 9.816 -13.258 -7.008 1.00 0.00 H new ATOM 0 HG22 VAL A 101 8.823 -13.430 -5.541 1.00 0.00 H new ATOM 0 HG23 VAL A 101 10.189 -12.289 -5.562 1.00 0.00 H new ATOM 1596 N ILE A 102 9.954 -12.145 -3.454 1.00 0.00 N ATOM 1597 CA ILE A 102 10.042 -10.742 -3.058 1.00 0.00 C ATOM 1598 C ILE A 102 10.559 -10.556 -1.625 1.00 0.00 C ATOM 1599 O ILE A 102 11.384 -9.675 -1.380 1.00 0.00 O ATOM 1600 CB ILE A 102 8.662 -10.082 -3.227 1.00 0.00 C ATOM 1601 CG1 ILE A 102 8.372 -9.840 -4.753 1.00 0.00 C ATOM 1602 CG2 ILE A 102 8.632 -8.744 -2.471 1.00 0.00 C ATOM 1603 CD1 ILE A 102 7.077 -10.546 -5.158 1.00 0.00 C ATOM 0 H ILE A 102 9.038 -12.432 -3.798 1.00 0.00 H new ATOM 0 HA ILE A 102 10.771 -10.259 -3.708 1.00 0.00 H new ATOM 0 HB ILE A 102 7.896 -10.741 -2.819 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.290 -8.771 -4.951 1.00 0.00 H new ATOM 0 HG13 ILE A 102 9.202 -10.213 -5.353 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.654 -8.279 -2.593 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.821 -8.920 -1.412 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.400 -8.083 -2.871 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.884 -10.373 -6.217 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.174 -11.616 -4.977 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.249 -10.152 -4.569 1.00 0.00 H new ATOM 1615 N HIS A 103 10.073 -11.346 -0.680 1.00 0.00 N ATOM 1616 CA HIS A 103 10.511 -11.191 0.712 1.00 0.00 C ATOM 1617 C HIS A 103 11.702 -12.093 1.034 1.00 0.00 C ATOM 1618 O HIS A 103 12.304 -11.974 2.102 1.00 0.00 O ATOM 1619 CB HIS A 103 9.349 -11.496 1.656 1.00 0.00 C ATOM 1620 CG HIS A 103 8.412 -10.310 1.688 1.00 0.00 C ATOM 1621 ND1 HIS A 103 7.058 -10.423 1.423 1.00 0.00 N ATOM 1622 CD2 HIS A 103 8.637 -8.979 1.934 1.00 0.00 C ATOM 1623 CE1 HIS A 103 6.524 -9.185 1.513 1.00 0.00 C ATOM 1624 NE2 HIS A 103 7.446 -8.268 1.822 1.00 0.00 N ATOM 0 H HIS A 103 9.390 -12.087 -0.838 1.00 0.00 H new ATOM 0 HA HIS A 103 10.833 -10.159 0.850 1.00 0.00 H new ATOM 0 HB2 HIS A 103 8.817 -12.387 1.322 1.00 0.00 H new ATOM 0 HB3 HIS A 103 9.724 -11.706 2.658 1.00 0.00 H new ATOM 0 HD2 HIS A 103 9.596 -8.547 2.178 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.479 -8.963 1.354 1.00 0.00 H new ATOM 0 HE2 HIS A 103 7.307 -7.265 1.948 1.00 0.00 H new ATOM 1632 N LEU A 104 12.049 -12.985 0.112 1.00 0.00 N ATOM 1633 CA LEU A 104 13.184 -13.883 0.332 1.00 0.00 C ATOM 1634 C LEU A 104 14.489 -13.206 -0.089 1.00 0.00 C ATOM 1635 O LEU A 104 15.547 -13.467 0.483 1.00 0.00 O ATOM 1636 CB LEU A 104 12.983 -15.195 -0.456 1.00 0.00 C ATOM 1637 CG LEU A 104 14.306 -16.020 -0.492 1.00 0.00 C ATOM 1638 CD1 LEU A 104 13.988 -17.518 -0.367 1.00 0.00 C ATOM 1639 CD2 LEU A 104 15.044 -15.772 -1.825 1.00 0.00 C ATOM 0 H LEU A 104 11.572 -13.107 -0.781 1.00 0.00 H new ATOM 0 HA LEU A 104 13.243 -14.117 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 104 12.192 -15.786 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 104 12.660 -14.970 -1.473 1.00 0.00 H new ATOM 0 HG LEU A 104 14.938 -15.708 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 104 14.915 -18.090 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 104 13.473 -17.703 0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 104 13.349 -17.825 -1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 104 15.967 -16.351 -1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 104 14.408 -16.077 -2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 104 15.279 -14.712 -1.919 1.00 0.00 H new ATOM 1651 N GLU A 105 14.408 -12.334 -1.093 1.00 0.00 N ATOM 1652 CA GLU A 105 15.596 -11.633 -1.578 1.00 0.00 C ATOM 1653 C GLU A 105 15.949 -10.467 -0.655 1.00 0.00 C ATOM 1654 O GLU A 105 17.085 -10.356 -0.194 1.00 0.00 O ATOM 1655 CB GLU A 105 15.358 -11.120 -3.004 1.00 0.00 C ATOM 1656 CG GLU A 105 16.654 -10.528 -3.569 1.00 0.00 C ATOM 1657 CD GLU A 105 17.699 -11.624 -3.743 1.00 0.00 C ATOM 1658 OE1 GLU A 105 17.306 -12.769 -3.906 1.00 0.00 O ATOM 1659 OE2 GLU A 105 18.876 -11.305 -3.711 1.00 0.00 O ATOM 0 H GLU A 105 13.544 -12.098 -1.581 1.00 0.00 H new ATOM 0 HA GLU A 105 16.431 -12.333 -1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.013 -11.935 -3.640 1.00 0.00 H new ATOM 0 HB3 GLU A 105 14.573 -10.363 -3.001 1.00 0.00 H new ATOM 0 HG2 GLU A 105 16.456 -10.048 -4.527 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.033 -9.757 -2.899 1.00 0.00 H new ATOM 1666 N VAL A 106 14.977 -9.604 -0.388 1.00 0.00 N ATOM 1667 CA VAL A 106 15.213 -8.458 0.483 1.00 0.00 C ATOM 1668 C VAL A 106 15.874 -8.909 1.781 1.00 0.00 C ATOM 1669 O VAL A 106 16.769 -8.243 2.301 1.00 0.00 O ATOM 1670 CB VAL A 106 13.892 -7.755 0.806 1.00 0.00 C ATOM 1671 CG1 VAL A 106 13.159 -7.396 -0.494 1.00 0.00 C ATOM 1672 CG2 VAL A 106 13.016 -8.685 1.650 1.00 0.00 C ATOM 0 H VAL A 106 14.028 -9.673 -0.757 1.00 0.00 H new ATOM 0 HA VAL A 106 15.873 -7.763 -0.036 1.00 0.00 H new ATOM 0 HB VAL A 106 14.097 -6.840 1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 106 12.220 -6.896 -0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 106 13.783 -6.731 -1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 106 12.953 -8.305 -1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 106 12.074 -8.187 1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 106 12.815 -9.600 1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 106 13.534 -8.931 2.577 1.00 0.00 H new ATOM 1682 N ASN A 107 15.418 -10.046 2.302 1.00 0.00 N ATOM 1683 CA ASN A 107 15.962 -10.583 3.543 1.00 0.00 C ATOM 1684 C ASN A 107 17.472 -10.768 3.438 1.00 0.00 C ATOM 1685 O ASN A 107 18.211 -10.431 4.361 1.00 0.00 O ATOM 1686 CB ASN A 107 15.303 -11.926 3.860 1.00 0.00 C ATOM 1687 CG ASN A 107 15.699 -12.383 5.260 1.00 0.00 C ATOM 1688 OD1 ASN A 107 16.558 -13.252 5.410 1.00 0.00 O ATOM 1689 ND2 ASN A 107 15.120 -11.847 6.299 1.00 0.00 N ATOM 0 H ASN A 107 14.677 -10.609 1.885 1.00 0.00 H new ATOM 0 HA ASN A 107 15.753 -9.874 4.344 1.00 0.00 H new ATOM 0 HB2 ASN A 107 14.219 -11.834 3.791 1.00 0.00 H new ATOM 0 HB3 ASN A 107 15.607 -12.672 3.125 1.00 0.00 H new ATOM 0 HD21 ASN A 107 15.379 -12.148 7.239 1.00 0.00 H new ATOM 0 HD22 ASN A 107 14.409 -11.127 6.172 1.00 0.00 H new ATOM 1696 N LYS A 108 17.925 -11.309 2.312 1.00 0.00 N ATOM 1697 CA LYS A 108 19.351 -11.532 2.108 1.00 0.00 C ATOM 1698 C LYS A 108 20.071 -10.211 1.863 1.00 0.00 C ATOM 1699 O LYS A 108 21.246 -10.061 2.197 1.00 0.00 O ATOM 1700 CB LYS A 108 19.570 -12.467 0.920 1.00 0.00 C ATOM 1701 CG LYS A 108 19.014 -13.850 1.257 1.00 0.00 C ATOM 1702 CD LYS A 108 19.384 -14.833 0.148 1.00 0.00 C ATOM 1703 CE LYS A 108 18.889 -16.231 0.520 1.00 0.00 C ATOM 1704 NZ LYS A 108 17.418 -16.313 0.299 1.00 0.00 N ATOM 0 H LYS A 108 17.332 -11.598 1.534 1.00 0.00 H new ATOM 0 HA LYS A 108 19.760 -11.991 3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 108 19.075 -12.070 0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 108 20.633 -12.536 0.688 1.00 0.00 H new ATOM 0 HG2 LYS A 108 19.416 -14.193 2.210 1.00 0.00 H new ATOM 0 HG3 LYS A 108 17.931 -13.801 1.367 1.00 0.00 H new ATOM 0 HD2 LYS A 108 18.939 -14.517 -0.796 1.00 0.00 H new ATOM 0 HD3 LYS A 108 20.464 -14.845 0.003 1.00 0.00 H new ATOM 0 HE2 LYS A 108 19.400 -16.982 -0.083 1.00 0.00 H new ATOM 0 HE3 LYS A 108 19.123 -16.446 1.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 16.935 -16.420 1.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 17.088 -15.444 -0.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 17.203 -17.132 -0.304 1.00 0.00 H new ATOM 1835 N PRO A 116 7.243 -10.174 8.235 1.00 0.00 N ATOM 1836 CA PRO A 116 5.793 -10.410 8.488 1.00 0.00 C ATOM 1837 C PRO A 116 5.293 -11.711 7.851 1.00 0.00 C ATOM 1838 O PRO A 116 5.958 -12.290 6.993 1.00 0.00 O ATOM 1839 CB PRO A 116 5.126 -9.193 7.846 1.00 0.00 C ATOM 1840 CG PRO A 116 6.128 -8.084 7.978 1.00 0.00 C ATOM 1841 CD PRO A 116 7.522 -8.742 7.996 1.00 0.00 C ATOM 0 HA PRO A 116 5.571 -10.521 9.549 1.00 0.00 H new ATOM 0 HB2 PRO A 116 4.883 -9.382 6.800 1.00 0.00 H new ATOM 0 HB3 PRO A 116 4.192 -8.943 8.350 1.00 0.00 H new ATOM 0 HG2 PRO A 116 6.042 -7.384 7.147 1.00 0.00 H new ATOM 0 HG3 PRO A 116 5.957 -7.516 8.892 1.00 0.00 H new ATOM 0 HD2 PRO A 116 8.046 -8.590 7.053 1.00 0.00 H new ATOM 0 HD3 PRO A 116 8.151 -8.322 8.781 1.00 0.00 H new ATOM 1849 N HIS A 117 4.114 -12.162 8.283 1.00 0.00 N ATOM 1850 CA HIS A 117 3.526 -13.396 7.752 1.00 0.00 C ATOM 1851 C HIS A 117 2.566 -13.087 6.605 1.00 0.00 C ATOM 1852 O HIS A 117 1.555 -12.410 6.793 1.00 0.00 O ATOM 1853 CB HIS A 117 2.775 -14.134 8.863 1.00 0.00 C ATOM 1854 CG HIS A 117 3.762 -14.715 9.837 1.00 0.00 C ATOM 1855 ND1 HIS A 117 4.187 -14.023 10.962 1.00 0.00 N ATOM 1856 CD2 HIS A 117 4.418 -15.920 9.869 1.00 0.00 C ATOM 1857 CE1 HIS A 117 5.059 -14.814 11.617 1.00 0.00 C ATOM 1858 NE2 HIS A 117 5.235 -15.980 10.992 1.00 0.00 N ATOM 0 H HIS A 117 3.550 -11.696 8.994 1.00 0.00 H new ATOM 0 HA HIS A 117 4.331 -14.026 7.374 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.101 -13.449 9.377 1.00 0.00 H new ATOM 0 HB3 HIS A 117 2.160 -14.926 8.436 1.00 0.00 H new ATOM 0 HD2 HIS A 117 4.315 -16.703 9.133 1.00 0.00 H new ATOM 0 HE1 HIS A 117 5.555 -14.538 12.536 1.00 0.00 H new ATOM 0 HE2 HIS A 117 5.840 -16.750 11.277 1.00 0.00 H new ATOM 1867 N ILE A 118 2.892 -13.596 5.413 1.00 0.00 N ATOM 1868 CA ILE A 118 2.053 -13.377 4.229 1.00 0.00 C ATOM 1869 C ILE A 118 1.897 -14.677 3.443 1.00 0.00 C ATOM 1870 O ILE A 118 2.886 -15.294 3.049 1.00 0.00 O ATOM 1871 CB ILE A 118 2.687 -12.315 3.328 1.00 0.00 C ATOM 1872 CG1 ILE A 118 3.018 -11.068 4.153 1.00 0.00 C ATOM 1873 CG2 ILE A 118 1.708 -11.941 2.214 1.00 0.00 C ATOM 1874 CD1 ILE A 118 3.783 -10.072 3.282 1.00 0.00 C ATOM 0 H ILE A 118 3.725 -14.159 5.242 1.00 0.00 H new ATOM 0 HA ILE A 118 1.071 -13.037 4.559 1.00 0.00 H new ATOM 0 HB ILE A 118 3.603 -12.714 2.892 1.00 0.00 H new ATOM 0 HG12 ILE A 118 2.101 -10.612 4.527 1.00 0.00 H new ATOM 0 HG13 ILE A 118 3.616 -11.342 5.023 1.00 0.00 H new ATOM 0 HG21 ILE A 118 2.159 -11.184 1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 118 1.474 -12.826 1.623 1.00 0.00 H new ATOM 0 HG23 ILE A 118 0.792 -11.545 2.652 1.00 0.00 H new ATOM 0 HD11 ILE A 118 4.020 -9.183 3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 118 4.707 -10.531 2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 118 3.169 -9.790 2.427 1.00 0.00 H new ATOM 1886 N ASN A 119 0.646 -15.092 3.222 1.00 0.00 N ATOM 1887 CA ASN A 119 0.374 -16.334 2.482 1.00 0.00 C ATOM 1888 C ASN A 119 -0.641 -16.092 1.367 1.00 0.00 C ATOM 1889 O ASN A 119 -1.842 -15.990 1.620 1.00 0.00 O ATOM 1890 CB ASN A 119 -0.162 -17.403 3.437 1.00 0.00 C ATOM 1891 CG ASN A 119 -0.057 -18.782 2.792 1.00 0.00 C ATOM 1892 OD1 ASN A 119 0.378 -18.888 1.566 1.00 0.00 O flip ATOM 1893 ND2 ASN A 119 -0.380 -19.789 3.422 1.00 0.00 N flip ATOM 0 H ASN A 119 -0.187 -14.595 3.539 1.00 0.00 H new ATOM 0 HA ASN A 119 1.308 -16.676 2.036 1.00 0.00 H new ATOM 0 HB2 ASN A 119 0.403 -17.385 4.369 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -1.201 -17.189 3.689 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -0.720 -19.704 4.380 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -0.308 -20.708 2.986 1.00 0.00 H new ATOM 1900 N GLY A 120 -0.150 -16.007 0.134 1.00 0.00 N ATOM 1901 CA GLY A 120 -1.012 -15.784 -1.020 1.00 0.00 C ATOM 1902 C GLY A 120 -1.485 -17.109 -1.594 1.00 0.00 C ATOM 1903 O GLY A 120 -0.678 -17.991 -1.891 1.00 0.00 O ATOM 0 H GLY A 120 0.842 -16.089 -0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -1.871 -15.180 -0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -0.471 -15.223 -1.782 1.00 0.00 H new ATOM 1907 N GLN A 121 -2.796 -17.241 -1.753 1.00 0.00 N ATOM 1908 CA GLN A 121 -3.383 -18.468 -2.301 1.00 0.00 C ATOM 1909 C GLN A 121 -4.288 -18.130 -3.478 1.00 0.00 C ATOM 1910 O GLN A 121 -5.260 -17.404 -3.325 1.00 0.00 O ATOM 1911 CB GLN A 121 -4.190 -19.173 -1.217 1.00 0.00 C ATOM 1912 CG GLN A 121 -4.713 -20.506 -1.754 1.00 0.00 C ATOM 1913 CD GLN A 121 -5.252 -21.355 -0.608 1.00 0.00 C ATOM 1914 OE1 GLN A 121 -6.225 -20.975 0.043 1.00 0.00 O ATOM 1915 NE2 GLN A 121 -4.674 -22.489 -0.321 1.00 0.00 N ATOM 0 H GLN A 121 -3.475 -16.519 -1.513 1.00 0.00 H new ATOM 0 HA GLN A 121 -2.585 -19.126 -2.645 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -3.568 -19.342 -0.338 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -5.023 -18.544 -0.902 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -5.500 -20.328 -2.487 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -3.913 -21.039 -2.268 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -3.868 -22.802 -0.862 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -5.028 -23.063 0.444 1.00 0.00 H new ATOM 1924 N LEU A 122 -3.955 -18.641 -4.657 1.00 0.00 N ATOM 1925 CA LEU A 122 -4.743 -18.357 -5.843 1.00 0.00 C ATOM 1926 C LEU A 122 -6.098 -19.071 -5.789 1.00 0.00 C ATOM 1927 O LEU A 122 -6.182 -20.259 -5.478 1.00 0.00 O ATOM 1928 CB LEU A 122 -3.951 -18.796 -7.104 1.00 0.00 C ATOM 1929 CG LEU A 122 -3.801 -17.624 -8.088 1.00 0.00 C ATOM 1930 CD1 LEU A 122 -2.731 -16.649 -7.577 1.00 0.00 C ATOM 1931 CD2 LEU A 122 -3.376 -18.167 -9.451 1.00 0.00 C ATOM 0 H LEU A 122 -3.151 -19.249 -4.814 1.00 0.00 H new ATOM 0 HA LEU A 122 -4.935 -17.285 -5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -2.966 -19.160 -6.812 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -4.465 -19.624 -7.592 1.00 0.00 H new ATOM 0 HG LEU A 122 -4.753 -17.101 -8.175 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.629 -15.821 -8.278 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -3.026 -16.264 -6.601 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -1.777 -17.169 -7.489 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.268 -17.341 -10.154 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -2.424 -18.688 -9.354 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.133 -18.860 -9.819 1.00 0.00 H new ATOM 1943 N LEU A 123 -7.147 -18.322 -6.107 1.00 0.00 N ATOM 1944 CA LEU A 123 -8.513 -18.851 -6.116 1.00 0.00 C ATOM 1945 C LEU A 123 -8.992 -19.003 -7.568 1.00 0.00 C ATOM 1946 O LEU A 123 -8.445 -18.357 -8.461 1.00 0.00 O ATOM 1947 CB LEU A 123 -9.443 -17.873 -5.375 1.00 0.00 C ATOM 1948 CG LEU A 123 -8.767 -17.382 -4.088 1.00 0.00 C ATOM 1949 CD1 LEU A 123 -9.657 -16.317 -3.391 1.00 0.00 C ATOM 1950 CD2 LEU A 123 -8.540 -18.583 -3.152 1.00 0.00 C ATOM 0 H LEU A 123 -7.080 -17.337 -6.365 1.00 0.00 H new ATOM 0 HA LEU A 123 -8.531 -19.822 -5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -9.680 -17.025 -6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -10.386 -18.365 -5.136 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.808 -16.923 -4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -9.168 -15.975 -2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -9.805 -15.471 -4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -10.623 -16.756 -3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -8.060 -18.243 -2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -9.498 -19.043 -2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.901 -19.314 -3.647 1.00 0.00 H new ATOM 1962 N PRO A 124 -9.999 -19.827 -7.830 1.00 0.00 N ATOM 1963 CA PRO A 124 -10.529 -20.009 -9.218 1.00 0.00 C ATOM 1964 C PRO A 124 -10.768 -18.662 -9.910 1.00 0.00 C ATOM 1965 O PRO A 124 -10.392 -17.614 -9.386 1.00 0.00 O ATOM 1966 CB PRO A 124 -11.846 -20.766 -9.005 1.00 0.00 C ATOM 1967 CG PRO A 124 -11.652 -21.525 -7.732 1.00 0.00 C ATOM 1968 CD PRO A 124 -10.729 -20.668 -6.855 1.00 0.00 C ATOM 0 HA PRO A 124 -9.833 -20.543 -9.866 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -12.689 -20.079 -8.931 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -12.055 -21.438 -9.838 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -12.606 -21.702 -7.235 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -11.208 -22.501 -7.925 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -11.297 -20.062 -6.149 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -10.048 -21.285 -6.269 1.00 0.00 H new ATOM 1976 N ASN A 125 -11.389 -18.692 -11.087 1.00 0.00 N ATOM 1977 CA ASN A 125 -11.657 -17.456 -11.824 1.00 0.00 C ATOM 1978 C ASN A 125 -10.445 -16.535 -11.768 1.00 0.00 C ATOM 1979 O ASN A 125 -9.346 -16.918 -12.171 1.00 0.00 O ATOM 1980 CB ASN A 125 -12.886 -16.747 -11.239 1.00 0.00 C ATOM 1981 CG ASN A 125 -12.715 -16.542 -9.740 1.00 0.00 C ATOM 1982 OD1 ASN A 125 -12.362 -15.372 -9.286 1.00 0.00 O flip ATOM 1983 ND2 ASN A 125 -12.908 -17.475 -8.959 1.00 0.00 N flip ATOM 0 H ASN A 125 -11.712 -19.543 -11.546 1.00 0.00 H new ATOM 0 HA ASN A 125 -11.858 -17.707 -12.865 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -13.027 -15.784 -11.731 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -13.781 -17.338 -11.432 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -13.184 -18.390 -9.316 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -12.792 -17.333 -7.956 1.00 0.00 H new ATOM 1990 N ASN A 126 -10.648 -15.323 -11.274 1.00 0.00 N ATOM 1991 CA ASN A 126 -9.561 -14.351 -11.173 1.00 0.00 C ATOM 1992 C ASN A 126 -9.568 -13.670 -9.801 1.00 0.00 C ATOM 1993 O ASN A 126 -9.626 -12.445 -9.703 1.00 0.00 O ATOM 1994 CB ASN A 126 -9.709 -13.303 -12.274 1.00 0.00 C ATOM 1995 CG ASN A 126 -9.839 -13.986 -13.632 1.00 0.00 C ATOM 1996 OD1 ASN A 126 -9.481 -15.154 -13.776 1.00 0.00 O ATOM 1997 ND2 ASN A 126 -10.335 -13.322 -14.641 1.00 0.00 N ATOM 0 H ASN A 126 -11.550 -14.987 -10.937 1.00 0.00 H new ATOM 0 HA ASN A 126 -8.612 -14.874 -11.292 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -10.586 -12.685 -12.083 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -8.845 -12.639 -12.273 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -10.427 -13.772 -15.552 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -10.631 -12.354 -14.518 1.00 0.00 H new ATOM 2004 N GLN A 127 -9.494 -14.485 -8.744 1.00 0.00 N ATOM 2005 CA GLN A 127 -9.478 -13.971 -7.366 1.00 0.00 C ATOM 2006 C GLN A 127 -8.281 -14.548 -6.617 1.00 0.00 C ATOM 2007 O GLN A 127 -7.829 -15.653 -6.911 1.00 0.00 O ATOM 2008 CB GLN A 127 -10.779 -14.353 -6.649 1.00 0.00 C ATOM 2009 CG GLN A 127 -11.920 -13.446 -7.129 1.00 0.00 C ATOM 2010 CD GLN A 127 -13.267 -14.087 -6.810 1.00 0.00 C ATOM 2011 OE1 GLN A 127 -13.595 -14.311 -5.566 1.00 0.00 O flip ATOM 2012 NE2 GLN A 127 -14.040 -14.393 -7.717 1.00 0.00 N flip ATOM 0 H GLN A 127 -9.444 -15.501 -8.813 1.00 0.00 H new ATOM 0 HA GLN A 127 -9.395 -12.884 -7.390 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -11.023 -15.397 -6.849 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -10.653 -14.256 -5.571 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -11.848 -12.472 -6.646 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -11.834 -13.277 -8.202 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -13.782 -14.217 -8.688 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -14.939 -14.822 -7.498 1.00 0.00 H new ATOM 2021 N ILE A 128 -7.764 -13.786 -5.659 1.00 0.00 N ATOM 2022 CA ILE A 128 -6.603 -14.223 -4.880 1.00 0.00 C ATOM 2023 C ILE A 128 -6.830 -13.983 -3.394 1.00 0.00 C ATOM 2024 O ILE A 128 -7.189 -12.886 -2.982 1.00 0.00 O ATOM 2025 CB ILE A 128 -5.351 -13.460 -5.338 1.00 0.00 C ATOM 2026 CG1 ILE A 128 -5.190 -13.611 -6.862 1.00 0.00 C ATOM 2027 CG2 ILE A 128 -4.111 -14.033 -4.629 1.00 0.00 C ATOM 2028 CD1 ILE A 128 -4.077 -12.684 -7.358 1.00 0.00 C ATOM 0 H ILE A 128 -8.125 -12.868 -5.402 1.00 0.00 H new ATOM 0 HA ILE A 128 -6.461 -15.291 -5.044 1.00 0.00 H new ATOM 0 HB ILE A 128 -5.455 -12.405 -5.086 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -4.953 -14.645 -7.112 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -6.128 -13.369 -7.362 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -3.223 -13.491 -4.954 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -4.227 -13.926 -3.550 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -4.004 -15.088 -4.879 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -3.966 -12.794 -8.437 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -4.332 -11.651 -7.123 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -3.139 -12.947 -6.868 1.00 0.00 H new ATOM 2040 N ALA A 129 -6.605 -15.016 -2.590 1.00 0.00 N ATOM 2041 CA ALA A 129 -6.773 -14.908 -1.143 1.00 0.00 C ATOM 2042 C ALA A 129 -5.423 -14.686 -0.485 1.00 0.00 C ATOM 2043 O ALA A 129 -4.566 -15.570 -0.485 1.00 0.00 O ATOM 2044 CB ALA A 129 -7.404 -16.182 -0.593 1.00 0.00 C ATOM 0 H ALA A 129 -6.306 -15.936 -2.913 1.00 0.00 H new ATOM 0 HA ALA A 129 -7.426 -14.063 -0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -7.525 -16.091 0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -8.379 -16.334 -1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -6.760 -17.033 -0.816 1.00 0.00 H new ATOM 2050 N LEU A 130 -5.237 -13.499 0.058 1.00 0.00 N ATOM 2051 CA LEU A 130 -3.991 -13.137 0.707 1.00 0.00 C ATOM 2052 C LEU A 130 -4.174 -13.041 2.216 1.00 0.00 C ATOM 2053 O LEU A 130 -4.841 -12.134 2.713 1.00 0.00 O ATOM 2054 CB LEU A 130 -3.539 -11.790 0.160 1.00 0.00 C ATOM 2055 CG LEU A 130 -2.180 -11.367 0.786 1.00 0.00 C ATOM 2056 CD1 LEU A 130 -1.049 -11.567 -0.228 1.00 0.00 C ATOM 2057 CD2 LEU A 130 -2.250 -9.892 1.177 1.00 0.00 C ATOM 0 H LEU A 130 -5.941 -12.761 0.062 1.00 0.00 H new ATOM 0 HA LEU A 130 -3.243 -13.903 0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 130 -3.443 -11.847 -0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 130 -4.294 -11.034 0.374 1.00 0.00 H new ATOM 0 HG LEU A 130 -1.982 -11.980 1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 130 -0.101 -11.268 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 130 -0.999 -12.617 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -1.241 -10.958 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -1.301 -9.587 1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -2.449 -9.290 0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 130 -3.050 -9.746 1.903 1.00 0.00 H new ATOM 2069 N ARG A 131 -3.562 -13.969 2.941 1.00 0.00 N ATOM 2070 CA ARG A 131 -3.647 -13.962 4.400 1.00 0.00 C ATOM 2071 C ARG A 131 -2.538 -13.087 4.972 1.00 0.00 C ATOM 2072 O ARG A 131 -1.415 -13.091 4.467 1.00 0.00 O ATOM 2073 CB ARG A 131 -3.514 -15.386 4.945 1.00 0.00 C ATOM 2074 CG ARG A 131 -3.966 -15.417 6.404 1.00 0.00 C ATOM 2075 CD ARG A 131 -3.629 -16.777 7.014 1.00 0.00 C ATOM 2076 NE ARG A 131 -4.235 -16.903 8.335 1.00 0.00 N ATOM 2077 CZ ARG A 131 -3.876 -17.875 9.167 1.00 0.00 C ATOM 2078 NH1 ARG A 131 -2.963 -18.737 8.808 1.00 0.00 N ATOM 2079 NH2 ARG A 131 -4.433 -17.967 10.343 1.00 0.00 N ATOM 0 H ARG A 131 -3.006 -14.730 2.550 1.00 0.00 H new ATOM 0 HA ARG A 131 -4.616 -13.561 4.696 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -4.118 -16.072 4.351 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -2.480 -15.722 4.866 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -3.473 -14.623 6.965 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -5.039 -15.234 6.467 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -3.989 -17.574 6.364 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -2.548 -16.891 7.090 1.00 0.00 H new ATOM 0 HE ARG A 131 -4.947 -16.233 8.625 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -2.526 -18.664 7.889 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -2.687 -19.483 9.446 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -5.145 -17.293 10.624 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -4.157 -18.713 10.981 1.00 0.00 H new ATOM 2093 N TYR A 132 -2.855 -12.331 6.019 1.00 0.00 N ATOM 2094 CA TYR A 132 -1.866 -11.446 6.640 1.00 0.00 C ATOM 2095 C TYR A 132 -1.973 -11.499 8.161 1.00 0.00 C ATOM 2096 O TYR A 132 -3.046 -11.731 8.707 1.00 0.00 O ATOM 2097 CB TYR A 132 -2.086 -10.007 6.159 1.00 0.00 C ATOM 2098 CG TYR A 132 -1.178 -9.068 6.926 1.00 0.00 C ATOM 2099 CD1 TYR A 132 0.211 -9.215 6.840 1.00 0.00 C ATOM 2100 CD2 TYR A 132 -1.726 -8.054 7.723 1.00 0.00 C ATOM 2101 CE1 TYR A 132 1.051 -8.352 7.549 1.00 0.00 C ATOM 2102 CE2 TYR A 132 -0.884 -7.189 8.432 1.00 0.00 C ATOM 2103 CZ TYR A 132 0.504 -7.338 8.344 1.00 0.00 C ATOM 2104 OH TYR A 132 1.335 -6.485 9.043 1.00 0.00 O ATOM 0 H TYR A 132 -3.777 -12.310 6.454 1.00 0.00 H new ATOM 0 HA TYR A 132 -0.871 -11.782 6.349 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -1.881 -9.935 5.091 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -3.128 -9.720 6.304 1.00 0.00 H new ATOM 0 HD1 TYR A 132 0.634 -9.996 6.225 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -2.798 -7.940 7.790 1.00 0.00 H new ATOM 0 HE1 TYR A 132 2.123 -8.467 7.484 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -1.306 -6.407 9.046 1.00 0.00 H new ATOM 0 HH TYR A 132 1.071 -5.557 8.871 1.00 0.00 H new ATOM 2114 N SER A 133 -0.849 -11.277 8.835 1.00 0.00 N ATOM 2115 CA SER A 133 -0.830 -11.296 10.290 1.00 0.00 C ATOM 2116 C SER A 133 0.373 -10.515 10.819 1.00 0.00 C ATOM 2117 O SER A 133 1.491 -10.672 10.329 1.00 0.00 O ATOM 2118 CB SER A 133 -0.770 -12.740 10.786 1.00 0.00 C ATOM 2119 OG SER A 133 -2.058 -13.330 10.668 1.00 0.00 O ATOM 0 H SER A 133 0.053 -11.083 8.400 1.00 0.00 H new ATOM 0 HA SER A 133 -1.741 -10.824 10.659 1.00 0.00 H new ATOM 0 HB2 SER A 133 -0.043 -13.307 10.204 1.00 0.00 H new ATOM 0 HB3 SER A 133 -0.439 -12.767 11.824 1.00 0.00 H new ATOM 0 HG SER A 133 -2.610 -12.792 10.062 1.00 0.00 H new ATOM 2125 N SER A 134 0.135 -9.679 11.826 1.00 0.00 N ATOM 2126 CA SER A 134 1.207 -8.885 12.418 1.00 0.00 C ATOM 2127 C SER A 134 0.720 -8.219 13.721 1.00 0.00 C ATOM 2128 O SER A 134 -0.363 -7.633 13.748 1.00 0.00 O ATOM 2129 CB SER A 134 1.661 -7.809 11.432 1.00 0.00 C ATOM 2130 OG SER A 134 0.628 -6.843 11.276 1.00 0.00 O ATOM 0 H SER A 134 -0.783 -9.534 12.246 1.00 0.00 H new ATOM 0 HA SER A 134 2.045 -9.543 12.647 1.00 0.00 H new ATOM 0 HB2 SER A 134 2.571 -7.329 11.794 1.00 0.00 H new ATOM 0 HB3 SER A 134 1.900 -8.260 10.469 1.00 0.00 H new ATOM 0 HG SER A 134 0.639 -6.497 10.359 1.00 0.00 H new ATOM 2217 N CYS A 139 -2.267 -3.796 9.199 1.00 0.00 N ATOM 2218 CA CYS A 139 -2.627 -4.271 7.870 1.00 0.00 C ATOM 2219 C CYS A 139 -3.025 -3.101 6.975 1.00 0.00 C ATOM 2220 O CYS A 139 -2.815 -3.136 5.763 1.00 0.00 O ATOM 2221 CB CYS A 139 -3.790 -5.262 7.968 1.00 0.00 C ATOM 2222 SG CYS A 139 -5.322 -4.365 8.323 1.00 0.00 S ATOM 0 HA CYS A 139 -1.762 -4.770 7.434 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -3.889 -5.816 7.035 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -3.594 -5.992 8.753 1.00 0.00 H new ATOM 0 HG CYS A 139 -6.309 -5.207 8.404 1.00 0.00 H new ATOM 2228 N PHE A 140 -3.606 -2.069 7.581 1.00 0.00 N ATOM 2229 CA PHE A 140 -4.035 -0.900 6.829 1.00 0.00 C ATOM 2230 C PHE A 140 -2.928 -0.444 5.875 1.00 0.00 C ATOM 2231 O PHE A 140 -3.202 0.072 4.791 1.00 0.00 O ATOM 2232 CB PHE A 140 -4.404 0.245 7.812 1.00 0.00 C ATOM 2233 CG PHE A 140 -5.818 0.727 7.552 1.00 0.00 C ATOM 2234 CD1 PHE A 140 -6.218 1.057 6.253 1.00 0.00 C ATOM 2235 CD2 PHE A 140 -6.727 0.839 8.612 1.00 0.00 C ATOM 2236 CE1 PHE A 140 -7.522 1.499 6.013 1.00 0.00 C ATOM 2237 CE2 PHE A 140 -8.029 1.280 8.373 1.00 0.00 C ATOM 2238 CZ PHE A 140 -8.429 1.610 7.073 1.00 0.00 C ATOM 0 H PHE A 140 -3.788 -2.021 8.583 1.00 0.00 H new ATOM 0 HA PHE A 140 -4.913 -1.160 6.237 1.00 0.00 H new ATOM 0 HB2 PHE A 140 -4.316 -0.107 8.840 1.00 0.00 H new ATOM 0 HB3 PHE A 140 -3.704 1.072 7.697 1.00 0.00 H new ATOM 0 HD1 PHE A 140 -5.519 0.970 5.435 1.00 0.00 H new ATOM 0 HD2 PHE A 140 -6.420 0.584 9.615 1.00 0.00 H new ATOM 0 HE1 PHE A 140 -7.830 1.755 5.010 1.00 0.00 H new ATOM 0 HE2 PHE A 140 -8.728 1.367 9.191 1.00 0.00 H new ATOM 0 HZ PHE A 140 -9.437 1.950 6.888 1.00 0.00 H new ATOM 2248 N CYS A 141 -1.682 -0.641 6.289 1.00 0.00 N ATOM 2249 CA CYS A 141 -0.544 -0.250 5.468 1.00 0.00 C ATOM 2250 C CYS A 141 -0.354 -1.235 4.324 1.00 0.00 C ATOM 2251 O CYS A 141 -0.110 -0.839 3.184 1.00 0.00 O ATOM 2252 CB CYS A 141 0.723 -0.209 6.322 1.00 0.00 C ATOM 2253 SG CYS A 141 2.043 0.622 5.405 1.00 0.00 S ATOM 0 H CYS A 141 -1.435 -1.066 7.183 1.00 0.00 H new ATOM 0 HA CYS A 141 -0.736 0.740 5.055 1.00 0.00 H new ATOM 0 HB2 CYS A 141 0.528 0.318 7.256 1.00 0.00 H new ATOM 0 HB3 CYS A 141 1.030 -1.221 6.585 1.00 0.00 H new ATOM 0 HG CYS A 141 3.120 0.659 6.132 1.00 0.00 H new ATOM 2259 N ALA A 142 -0.457 -2.521 4.638 1.00 0.00 N ATOM 2260 CA ALA A 142 -0.285 -3.559 3.627 1.00 0.00 C ATOM 2261 C ALA A 142 -1.252 -3.358 2.464 1.00 0.00 C ATOM 2262 O ALA A 142 -0.901 -3.600 1.309 1.00 0.00 O ATOM 2263 CB ALA A 142 -0.506 -4.934 4.246 1.00 0.00 C ATOM 0 H ALA A 142 -0.657 -2.869 5.576 1.00 0.00 H new ATOM 0 HA ALA A 142 0.733 -3.492 3.244 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -0.375 -5.702 3.483 1.00 0.00 H new ATOM 0 HB2 ALA A 142 0.215 -5.092 5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -1.516 -4.993 4.651 1.00 0.00 H new ATOM 2269 N GLU A 143 -2.468 -2.915 2.766 1.00 0.00 N ATOM 2270 CA GLU A 143 -3.459 -2.692 1.720 1.00 0.00 C ATOM 2271 C GLU A 143 -2.945 -1.663 0.717 1.00 0.00 C ATOM 2272 O GLU A 143 -3.012 -1.874 -0.493 1.00 0.00 O ATOM 2273 CB GLU A 143 -4.776 -2.202 2.336 1.00 0.00 C ATOM 2274 CG GLU A 143 -5.519 -3.381 2.966 1.00 0.00 C ATOM 2275 CD GLU A 143 -6.733 -2.879 3.740 1.00 0.00 C ATOM 2276 OE1 GLU A 143 -6.756 -1.705 4.069 1.00 0.00 O ATOM 2277 OE2 GLU A 143 -7.620 -3.677 3.993 1.00 0.00 O ATOM 0 H GLU A 143 -2.788 -2.706 3.712 1.00 0.00 H new ATOM 0 HA GLU A 143 -3.636 -3.635 1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 143 -4.575 -1.441 3.090 1.00 0.00 H new ATOM 0 HB3 GLU A 143 -5.396 -1.736 1.570 1.00 0.00 H new ATOM 0 HG2 GLU A 143 -5.835 -4.079 2.190 1.00 0.00 H new ATOM 0 HG3 GLU A 143 -4.852 -3.927 3.633 1.00 0.00 H new ATOM 2284 N GLY A 144 -2.432 -0.550 1.232 1.00 0.00 N ATOM 2285 CA GLY A 144 -1.911 0.508 0.373 1.00 0.00 C ATOM 2286 C GLY A 144 -0.864 -0.034 -0.595 1.00 0.00 C ATOM 2287 O GLY A 144 -0.858 0.319 -1.770 1.00 0.00 O ATOM 0 H GLY A 144 -2.366 -0.358 2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -2.729 0.961 -0.188 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -1.471 1.294 0.986 1.00 0.00 H new ATOM 2291 N LEU A 145 0.022 -0.890 -0.094 1.00 0.00 N ATOM 2292 CA LEU A 145 1.071 -1.467 -0.933 1.00 0.00 C ATOM 2293 C LEU A 145 0.463 -2.186 -2.141 1.00 0.00 C ATOM 2294 O LEU A 145 0.949 -2.050 -3.264 1.00 0.00 O ATOM 2295 CB LEU A 145 1.920 -2.461 -0.116 1.00 0.00 C ATOM 2296 CG LEU A 145 2.931 -1.701 0.767 1.00 0.00 C ATOM 2297 CD1 LEU A 145 3.501 -2.656 1.826 1.00 0.00 C ATOM 2298 CD2 LEU A 145 4.091 -1.150 -0.099 1.00 0.00 C ATOM 0 H LEU A 145 0.037 -1.198 0.878 1.00 0.00 H new ATOM 0 HA LEU A 145 1.707 -0.656 -1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 145 1.272 -3.076 0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 145 2.449 -3.136 -0.788 1.00 0.00 H new ATOM 0 HG LEU A 145 2.421 -0.868 1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 145 4.216 -2.121 2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 145 2.690 -3.037 2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 145 4.002 -3.489 1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 145 4.797 -0.616 0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 145 4.601 -1.977 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 145 3.692 -0.469 -0.851 1.00 0.00 H new ATOM 2310 N LEU A 146 -0.590 -2.958 -1.899 1.00 0.00 N ATOM 2311 CA LEU A 146 -1.244 -3.704 -2.974 1.00 0.00 C ATOM 2312 C LEU A 146 -1.810 -2.767 -4.039 1.00 0.00 C ATOM 2313 O LEU A 146 -1.723 -3.056 -5.232 1.00 0.00 O ATOM 2314 CB LEU A 146 -2.376 -4.564 -2.403 1.00 0.00 C ATOM 2315 CG LEU A 146 -1.793 -5.697 -1.541 1.00 0.00 C ATOM 2316 CD1 LEU A 146 -2.909 -6.313 -0.692 1.00 0.00 C ATOM 2317 CD2 LEU A 146 -1.172 -6.791 -2.442 1.00 0.00 C ATOM 0 H LEU A 146 -1.008 -3.085 -0.977 1.00 0.00 H new ATOM 0 HA LEU A 146 -0.492 -4.342 -3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -3.045 -3.947 -1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -2.971 -4.983 -3.215 1.00 0.00 H new ATOM 0 HG LEU A 146 -1.017 -5.287 -0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -2.499 -7.116 -0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -3.339 -5.548 -0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -3.684 -6.714 -1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -0.763 -7.587 -1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -1.940 -7.202 -3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -0.375 -6.356 -3.045 1.00 0.00 H new ATOM 2329 N PHE A 147 -2.398 -1.651 -3.613 1.00 0.00 N ATOM 2330 CA PHE A 147 -2.977 -0.700 -4.556 1.00 0.00 C ATOM 2331 C PHE A 147 -1.888 0.054 -5.317 1.00 0.00 C ATOM 2332 O PHE A 147 -2.053 0.377 -6.492 1.00 0.00 O ATOM 2333 CB PHE A 147 -3.863 0.295 -3.805 1.00 0.00 C ATOM 2334 CG PHE A 147 -5.105 -0.412 -3.308 1.00 0.00 C ATOM 2335 CD1 PHE A 147 -6.063 -0.866 -4.223 1.00 0.00 C ATOM 2336 CD2 PHE A 147 -5.296 -0.615 -1.935 1.00 0.00 C ATOM 2337 CE1 PHE A 147 -7.212 -1.523 -3.765 1.00 0.00 C ATOM 2338 CE2 PHE A 147 -6.445 -1.273 -1.478 1.00 0.00 C ATOM 2339 CZ PHE A 147 -7.402 -1.727 -2.393 1.00 0.00 C ATOM 0 H PHE A 147 -2.485 -1.386 -2.632 1.00 0.00 H new ATOM 0 HA PHE A 147 -3.576 -1.256 -5.278 1.00 0.00 H new ATOM 0 HB2 PHE A 147 -3.316 0.725 -2.966 1.00 0.00 H new ATOM 0 HB3 PHE A 147 -4.139 1.120 -4.461 1.00 0.00 H new ATOM 0 HD1 PHE A 147 -5.916 -0.710 -5.281 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -4.558 -0.264 -1.229 1.00 0.00 H new ATOM 0 HE1 PHE A 147 -7.952 -1.872 -4.470 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -6.592 -1.430 -0.420 1.00 0.00 H new ATOM 0 HZ PHE A 147 -8.287 -2.235 -2.040 1.00 0.00 H new ATOM 2349 N GLY A 148 -0.780 0.333 -4.641 1.00 0.00 N ATOM 2350 CA GLY A 148 0.322 1.051 -5.270 1.00 0.00 C ATOM 2351 C GLY A 148 0.809 0.312 -6.508 1.00 0.00 C ATOM 2352 O GLY A 148 1.119 0.927 -7.529 1.00 0.00 O ATOM 0 H GLY A 148 -0.621 0.076 -3.667 1.00 0.00 H new ATOM 0 HA2 GLY A 148 -0.001 2.055 -5.544 1.00 0.00 H new ATOM 0 HA3 GLY A 148 1.142 1.162 -4.561 1.00 0.00 H new ATOM 2356 N ALA A 149 0.874 -1.009 -6.409 1.00 0.00 N ATOM 2357 CA ALA A 149 1.324 -1.828 -7.527 1.00 0.00 C ATOM 2358 C ALA A 149 0.213 -1.971 -8.568 1.00 0.00 C ATOM 2359 O ALA A 149 0.481 -2.184 -9.750 1.00 0.00 O ATOM 2360 CB ALA A 149 1.742 -3.215 -7.016 1.00 0.00 C ATOM 0 H ALA A 149 0.623 -1.534 -5.571 1.00 0.00 H new ATOM 0 HA ALA A 149 2.179 -1.341 -7.997 1.00 0.00 H new ATOM 0 HB1 ALA A 149 2.078 -3.825 -7.854 1.00 0.00 H new ATOM 0 HB2 ALA A 149 2.554 -3.108 -6.296 1.00 0.00 H new ATOM 0 HB3 ALA A 149 0.891 -3.697 -6.534 1.00 0.00 H new ATOM 2366 N ALA A 150 -1.032 -1.851 -8.119 1.00 0.00 N ATOM 2367 CA ALA A 150 -2.176 -1.972 -9.020 1.00 0.00 C ATOM 2368 C ALA A 150 -2.213 -0.814 -10.015 1.00 0.00 C ATOM 2369 O ALA A 150 -2.241 -1.027 -11.228 1.00 0.00 O ATOM 2370 CB ALA A 150 -3.471 -1.986 -8.211 1.00 0.00 C ATOM 0 H ALA A 150 -1.275 -1.671 -7.145 1.00 0.00 H new ATOM 0 HA ALA A 150 -2.076 -2.905 -9.575 1.00 0.00 H new ATOM 0 HB1 ALA A 150 -4.321 -2.076 -8.887 1.00 0.00 H new ATOM 0 HB2 ALA A 150 -3.462 -2.832 -7.524 1.00 0.00 H new ATOM 0 HB3 ALA A 150 -3.556 -1.059 -7.644 1.00 0.00 H new ATOM 2376 N GLN A 151 -2.212 0.406 -9.494 1.00 0.00 N ATOM 2377 CA GLN A 151 -2.245 1.591 -10.348 1.00 0.00 C ATOM 2378 C GLN A 151 -1.010 1.635 -11.242 1.00 0.00 C ATOM 2379 O GLN A 151 -1.108 1.863 -12.446 1.00 0.00 O ATOM 2380 CB GLN A 151 -2.301 2.854 -9.488 1.00 0.00 C ATOM 2381 CG GLN A 151 -3.595 2.861 -8.674 1.00 0.00 C ATOM 2382 CD GLN A 151 -3.697 4.152 -7.867 1.00 0.00 C ATOM 2383 OE1 GLN A 151 -2.815 4.455 -7.064 1.00 0.00 O ATOM 2384 NE2 GLN A 151 -4.727 4.935 -8.035 1.00 0.00 N ATOM 0 H GLN A 151 -2.189 0.603 -8.493 1.00 0.00 H new ATOM 0 HA GLN A 151 -3.135 1.542 -10.975 1.00 0.00 H new ATOM 0 HB2 GLN A 151 -1.439 2.891 -8.821 1.00 0.00 H new ATOM 0 HB3 GLN A 151 -2.252 3.740 -10.121 1.00 0.00 H new ATOM 0 HG2 GLN A 151 -4.453 2.770 -9.339 1.00 0.00 H new ATOM 0 HG3 GLN A 151 -3.618 2.001 -8.004 1.00 0.00 H new ATOM 0 HE21 GLN A 151 -5.457 4.682 -8.701 1.00 0.00 H new ATOM 0 HE22 GLN A 151 -4.802 5.800 -7.500 1.00 0.00 H new ATOM 2393 N HIS A 152 0.149 1.423 -10.636 1.00 0.00 N ATOM 2394 CA HIS A 152 1.408 1.445 -11.374 1.00 0.00 C ATOM 2395 C HIS A 152 1.270 0.724 -12.715 1.00 0.00 C ATOM 2396 O HIS A 152 1.945 1.067 -13.685 1.00 0.00 O ATOM 2397 CB HIS A 152 2.508 0.777 -10.546 1.00 0.00 C ATOM 2398 CG HIS A 152 3.848 1.070 -11.160 1.00 0.00 C ATOM 2399 ND1 HIS A 152 3.976 1.683 -12.398 1.00 0.00 N ATOM 2400 CD2 HIS A 152 5.129 0.842 -10.722 1.00 0.00 C ATOM 2401 CE1 HIS A 152 5.293 1.801 -12.657 1.00 0.00 C ATOM 2402 NE2 HIS A 152 6.038 1.303 -11.667 1.00 0.00 N ATOM 0 H HIS A 152 0.246 1.234 -9.638 1.00 0.00 H new ATOM 0 HA HIS A 152 1.672 2.485 -11.565 1.00 0.00 H new ATOM 0 HB2 HIS A 152 2.479 1.144 -9.520 1.00 0.00 H new ATOM 0 HB3 HIS A 152 2.343 -0.300 -10.504 1.00 0.00 H new ATOM 0 HD1 HIS A 152 3.213 1.988 -13.002 1.00 0.00 H new ATOM 0 HD2 HIS A 152 5.391 0.375 -9.784 1.00 0.00 H new ATOM 0 HE1 HIS A 152 5.697 2.244 -13.555 1.00 0.00 H new ATOM 2411 N PHE A 153 0.393 -0.284 -12.760 1.00 0.00 N ATOM 2412 CA PHE A 153 0.177 -1.062 -13.995 1.00 0.00 C ATOM 2413 C PHE A 153 -1.279 -0.968 -14.460 1.00 0.00 C ATOM 2414 O PHE A 153 -1.805 -1.898 -15.071 1.00 0.00 O ATOM 2415 CB PHE A 153 0.550 -2.528 -13.747 1.00 0.00 C ATOM 2416 CG PHE A 153 1.723 -2.587 -12.795 1.00 0.00 C ATOM 2417 CD1 PHE A 153 2.847 -1.781 -13.017 1.00 0.00 C ATOM 2418 CD2 PHE A 153 1.685 -3.441 -11.688 1.00 0.00 C ATOM 2419 CE1 PHE A 153 3.928 -1.829 -12.134 1.00 0.00 C ATOM 2420 CE2 PHE A 153 2.766 -3.487 -10.804 1.00 0.00 C ATOM 2421 CZ PHE A 153 3.888 -2.682 -11.026 1.00 0.00 C ATOM 0 H PHE A 153 -0.176 -0.582 -11.967 1.00 0.00 H new ATOM 0 HA PHE A 153 0.810 -0.647 -14.779 1.00 0.00 H new ATOM 0 HB2 PHE A 153 -0.301 -3.067 -13.329 1.00 0.00 H new ATOM 0 HB3 PHE A 153 0.805 -3.015 -14.688 1.00 0.00 H new ATOM 0 HD1 PHE A 153 2.878 -1.122 -13.872 1.00 0.00 H new ATOM 0 HD2 PHE A 153 0.820 -4.065 -11.517 1.00 0.00 H new ATOM 0 HE1 PHE A 153 4.794 -1.208 -12.307 1.00 0.00 H new ATOM 0 HE2 PHE A 153 2.735 -4.145 -9.948 1.00 0.00 H new ATOM 0 HZ PHE A 153 4.723 -2.719 -10.342 1.00 0.00 H new ATOM 2431 N GLN A 154 -1.918 0.163 -14.174 1.00 0.00 N ATOM 2432 CA GLN A 154 -3.312 0.378 -14.573 1.00 0.00 C ATOM 2433 C GLN A 154 -4.139 -0.902 -14.430 1.00 0.00 C ATOM 2434 O GLN A 154 -4.941 -1.232 -15.303 1.00 0.00 O ATOM 2435 CB GLN A 154 -3.366 0.862 -16.028 1.00 0.00 C ATOM 2436 CG GLN A 154 -4.711 1.553 -16.292 1.00 0.00 C ATOM 2437 CD GLN A 154 -4.684 2.978 -15.748 1.00 0.00 C ATOM 2438 OE1 GLN A 154 -3.870 3.793 -16.181 1.00 0.00 O ATOM 2439 NE2 GLN A 154 -5.532 3.328 -14.821 1.00 0.00 N ATOM 0 H GLN A 154 -1.498 0.944 -13.670 1.00 0.00 H new ATOM 0 HA GLN A 154 -3.737 1.134 -13.913 1.00 0.00 H new ATOM 0 HB2 GLN A 154 -2.546 1.554 -16.222 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -3.240 0.019 -16.707 1.00 0.00 H new ATOM 0 HG2 GLN A 154 -4.917 1.568 -17.362 1.00 0.00 H new ATOM 0 HG3 GLN A 154 -5.517 0.990 -15.820 1.00 0.00 H new ATOM 0 HE21 GLN A 154 -6.206 2.650 -14.464 1.00 0.00 H new ATOM 0 HE22 GLN A 154 -5.522 4.279 -14.453 1.00 0.00 H new ATOM 2448 N GLN A 155 -3.941 -1.617 -13.319 1.00 0.00 N ATOM 2449 CA GLN A 155 -4.678 -2.856 -13.065 1.00 0.00 C ATOM 2450 C GLN A 155 -5.614 -2.671 -11.871 1.00 0.00 C ATOM 2451 O GLN A 155 -5.256 -2.968 -10.735 1.00 0.00 O ATOM 2452 CB GLN A 155 -3.684 -3.994 -12.791 1.00 0.00 C ATOM 2453 CG GLN A 155 -4.430 -5.267 -12.381 1.00 0.00 C ATOM 2454 CD GLN A 155 -5.544 -5.581 -13.376 1.00 0.00 C ATOM 2455 OE1 GLN A 155 -5.287 -6.145 -14.440 1.00 0.00 O ATOM 2456 NE2 GLN A 155 -6.773 -5.245 -13.091 1.00 0.00 N ATOM 0 H GLN A 155 -3.280 -1.360 -12.585 1.00 0.00 H new ATOM 0 HA GLN A 155 -5.277 -3.108 -13.940 1.00 0.00 H new ATOM 0 HB2 GLN A 155 -3.087 -4.186 -13.682 1.00 0.00 H new ATOM 0 HB3 GLN A 155 -2.993 -3.700 -12.001 1.00 0.00 H new ATOM 0 HG2 GLN A 155 -3.733 -6.103 -12.331 1.00 0.00 H new ATOM 0 HG3 GLN A 155 -4.851 -5.143 -11.383 1.00 0.00 H new ATOM 0 HE21 GLN A 155 -6.982 -4.778 -12.209 1.00 0.00 H new ATOM 0 HE22 GLN A 155 -7.524 -5.450 -13.751 1.00 0.00 H new ATOM 2465 N LYS A 156 -6.812 -2.158 -12.141 1.00 0.00 N ATOM 2466 CA LYS A 156 -7.793 -1.914 -11.086 1.00 0.00 C ATOM 2467 C LYS A 156 -8.144 -3.204 -10.347 1.00 0.00 C ATOM 2468 O LYS A 156 -8.312 -4.258 -10.959 1.00 0.00 O ATOM 2469 CB LYS A 156 -9.062 -1.311 -11.688 1.00 0.00 C ATOM 2470 CG LYS A 156 -8.689 -0.119 -12.582 1.00 0.00 C ATOM 2471 CD LYS A 156 -9.937 0.748 -12.847 1.00 0.00 C ATOM 2472 CE LYS A 156 -10.106 1.782 -11.724 1.00 0.00 C ATOM 2473 NZ LYS A 156 -9.216 2.949 -11.986 1.00 0.00 N ATOM 0 H LYS A 156 -7.126 -1.904 -13.078 1.00 0.00 H new ATOM 0 HA LYS A 156 -7.354 -1.217 -10.372 1.00 0.00 H new ATOM 0 HB2 LYS A 156 -9.594 -2.063 -12.270 1.00 0.00 H new ATOM 0 HB3 LYS A 156 -9.735 -0.987 -10.894 1.00 0.00 H new ATOM 0 HG2 LYS A 156 -7.915 0.479 -12.101 1.00 0.00 H new ATOM 0 HG3 LYS A 156 -8.276 -0.476 -13.526 1.00 0.00 H new ATOM 0 HD2 LYS A 156 -9.841 1.254 -13.807 1.00 0.00 H new ATOM 0 HD3 LYS A 156 -10.823 0.116 -12.907 1.00 0.00 H new ATOM 0 HE2 LYS A 156 -11.145 2.108 -11.669 1.00 0.00 H new ATOM 0 HE3 LYS A 156 -9.861 1.333 -10.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 -9.330 3.650 -11.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 -8.226 2.631 -12.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 -9.470 3.382 -12.897 1.00 0.00 H new ATOM 2487 N ILE A 157 -8.255 -3.105 -9.021 1.00 0.00 N ATOM 2488 CA ILE A 157 -8.592 -4.262 -8.191 1.00 0.00 C ATOM 2489 C ILE A 157 -9.374 -3.830 -6.955 1.00 0.00 C ATOM 2490 O ILE A 157 -9.437 -2.644 -6.631 1.00 0.00 O ATOM 2491 CB ILE A 157 -7.314 -4.984 -7.748 1.00 0.00 C ATOM 2492 CG1 ILE A 157 -6.355 -3.989 -7.052 1.00 0.00 C ATOM 2493 CG2 ILE A 157 -6.623 -5.591 -8.970 1.00 0.00 C ATOM 2494 CD1 ILE A 157 -5.457 -4.748 -6.074 1.00 0.00 C ATOM 0 H ILE A 157 -8.117 -2.239 -8.501 1.00 0.00 H new ATOM 0 HA ILE A 157 -9.208 -4.936 -8.786 1.00 0.00 H new ATOM 0 HB ILE A 157 -7.576 -5.774 -7.045 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -5.747 -3.473 -7.795 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -6.926 -3.227 -6.522 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -5.714 -6.105 -8.656 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -7.294 -6.302 -9.452 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -6.368 -4.799 -9.674 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -4.781 -4.048 -5.583 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -6.073 -5.244 -5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -4.876 -5.493 -6.617 1.00 0.00 H new ATOM 2506 N GLN A 158 -9.956 -4.804 -6.261 1.00 0.00 N ATOM 2507 CA GLN A 158 -10.723 -4.527 -5.043 1.00 0.00 C ATOM 2508 C GLN A 158 -10.259 -5.448 -3.925 1.00 0.00 C ATOM 2509 O GLN A 158 -9.911 -6.598 -4.171 1.00 0.00 O ATOM 2510 CB GLN A 158 -12.218 -4.737 -5.302 1.00 0.00 C ATOM 2511 CG GLN A 158 -12.771 -3.548 -6.087 1.00 0.00 C ATOM 2512 CD GLN A 158 -14.243 -3.775 -6.413 1.00 0.00 C ATOM 2513 OE1 GLN A 158 -14.730 -4.903 -6.337 1.00 0.00 O ATOM 2514 NE2 GLN A 158 -14.984 -2.764 -6.776 1.00 0.00 N ATOM 0 H GLN A 158 -9.913 -5.790 -6.517 1.00 0.00 H new ATOM 0 HA GLN A 158 -10.559 -3.491 -4.748 1.00 0.00 H new ATOM 0 HB2 GLN A 158 -12.375 -5.660 -5.860 1.00 0.00 H new ATOM 0 HB3 GLN A 158 -12.751 -4.842 -4.357 1.00 0.00 H new ATOM 0 HG2 GLN A 158 -12.656 -2.633 -5.506 1.00 0.00 H new ATOM 0 HG3 GLN A 158 -12.203 -3.414 -7.008 1.00 0.00 H new ATOM 0 HE21 GLN A 158 -14.578 -1.830 -6.838 1.00 0.00 H new ATOM 0 HE22 GLN A 158 -15.969 -2.907 -6.998 1.00 0.00 H new ATOM 2523 N ILE A 159 -10.253 -4.935 -2.693 1.00 0.00 N ATOM 2524 CA ILE A 159 -9.817 -5.737 -1.539 1.00 0.00 C ATOM 2525 C ILE A 159 -10.866 -5.745 -0.438 1.00 0.00 C ATOM 2526 O ILE A 159 -11.342 -4.696 -0.005 1.00 0.00 O ATOM 2527 CB ILE A 159 -8.495 -5.192 -0.981 1.00 0.00 C ATOM 2528 CG1 ILE A 159 -7.407 -5.332 -2.057 1.00 0.00 C ATOM 2529 CG2 ILE A 159 -8.091 -5.996 0.273 1.00 0.00 C ATOM 2530 CD1 ILE A 159 -6.051 -4.910 -1.487 1.00 0.00 C ATOM 0 H ILE A 159 -10.540 -3.983 -2.466 1.00 0.00 H new ATOM 0 HA ILE A 159 -9.674 -6.760 -1.886 1.00 0.00 H new ATOM 0 HB ILE A 159 -8.613 -4.143 -0.708 1.00 0.00 H new ATOM 0 HG12 ILE A 159 -7.359 -6.364 -2.406 1.00 0.00 H new ATOM 0 HG13 ILE A 159 -7.656 -4.715 -2.920 1.00 0.00 H new ATOM 0 HG21 ILE A 159 -7.152 -5.607 0.667 1.00 0.00 H new ATOM 0 HG22 ILE A 159 -8.869 -5.903 1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 159 -7.966 -7.046 0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 159 -5.285 -5.012 -2.256 1.00 0.00 H new ATOM 0 HD12 ILE A 159 -6.101 -3.871 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 159 -5.800 -5.546 -0.638 1.00 0.00 H new ATOM 2542 N SER A 160 -11.204 -6.949 0.025 1.00 0.00 N ATOM 2543 CA SER A 160 -12.182 -7.113 1.099 1.00 0.00 C ATOM 2544 C SER A 160 -11.476 -7.559 2.374 1.00 0.00 C ATOM 2545 O SER A 160 -10.997 -8.689 2.471 1.00 0.00 O ATOM 2546 CB SER A 160 -13.233 -8.149 0.700 1.00 0.00 C ATOM 2547 OG SER A 160 -14.079 -8.412 1.812 1.00 0.00 O ATOM 0 H SER A 160 -10.815 -7.824 -0.327 1.00 0.00 H new ATOM 0 HA SER A 160 -12.677 -6.158 1.276 1.00 0.00 H new ATOM 0 HB2 SER A 160 -13.822 -7.782 -0.141 1.00 0.00 H new ATOM 0 HB3 SER A 160 -12.748 -9.068 0.372 1.00 0.00 H new ATOM 0 HG SER A 160 -14.755 -9.075 1.559 1.00 0.00 H new ATOM 2553 N HIS A 161 -11.406 -6.650 3.346 1.00 0.00 N ATOM 2554 CA HIS A 161 -10.741 -6.936 4.623 1.00 0.00 C ATOM 2555 C HIS A 161 -11.777 -7.035 5.759 1.00 0.00 C ATOM 2556 O HIS A 161 -12.114 -6.039 6.402 1.00 0.00 O ATOM 2557 CB HIS A 161 -9.688 -5.816 4.904 1.00 0.00 C ATOM 2558 CG HIS A 161 -9.653 -5.445 6.369 1.00 0.00 C ATOM 2559 ND1 HIS A 161 -9.619 -4.125 6.792 1.00 0.00 N ATOM 2560 CD2 HIS A 161 -9.658 -6.204 7.511 1.00 0.00 C ATOM 2561 CE1 HIS A 161 -9.605 -4.131 8.137 1.00 0.00 C ATOM 2562 NE2 HIS A 161 -9.629 -5.373 8.625 1.00 0.00 N ATOM 0 H HIS A 161 -11.799 -5.711 3.277 1.00 0.00 H new ATOM 0 HA HIS A 161 -10.229 -7.897 4.569 1.00 0.00 H new ATOM 0 HB2 HIS A 161 -8.701 -6.156 4.590 1.00 0.00 H new ATOM 0 HB3 HIS A 161 -9.926 -4.934 4.310 1.00 0.00 H new ATOM 0 HD2 HIS A 161 -9.681 -7.283 7.540 1.00 0.00 H new ATOM 0 HE1 HIS A 161 -9.578 -3.240 8.747 1.00 0.00 H new ATOM 0 HE2 HIS A 161 -9.627 -5.653 9.606 1.00 0.00 H new ATOM 2571 N ASP A 162 -12.284 -8.249 5.987 1.00 0.00 N ATOM 2572 CA ASP A 162 -13.281 -8.474 7.037 1.00 0.00 C ATOM 2573 C ASP A 162 -12.624 -9.039 8.297 1.00 0.00 C ATOM 2574 O ASP A 162 -13.061 -8.751 9.411 1.00 0.00 O ATOM 2575 CB ASP A 162 -14.355 -9.443 6.539 1.00 0.00 C ATOM 2576 CG ASP A 162 -15.159 -8.798 5.416 1.00 0.00 C ATOM 2577 OD1 ASP A 162 -15.051 -7.594 5.252 1.00 0.00 O ATOM 2578 OD2 ASP A 162 -15.870 -9.518 4.734 1.00 0.00 O ATOM 0 H ASP A 162 -12.024 -9.085 5.464 1.00 0.00 H new ATOM 0 HA ASP A 162 -13.741 -7.517 7.283 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -13.890 -10.362 6.183 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -15.017 -9.718 7.360 1.00 0.00 H new ATOM 2583 N THR A 163 -11.569 -9.841 8.121 1.00 0.00 N ATOM 2584 CA THR A 163 -10.865 -10.427 9.272 1.00 0.00 C ATOM 2585 C THR A 163 -9.561 -9.679 9.535 1.00 0.00 C ATOM 2586 O THR A 163 -8.758 -9.479 8.625 1.00 0.00 O ATOM 2587 CB THR A 163 -10.559 -11.910 9.010 1.00 0.00 C ATOM 2588 OG1 THR A 163 -11.664 -12.511 8.349 1.00 0.00 O ATOM 2589 CG2 THR A 163 -10.309 -12.627 10.342 1.00 0.00 C ATOM 0 H THR A 163 -11.187 -10.098 7.211 1.00 0.00 H new ATOM 0 HA THR A 163 -11.509 -10.341 10.147 1.00 0.00 H new ATOM 0 HB THR A 163 -9.671 -11.991 8.383 1.00 0.00 H new ATOM 0 HG1 THR A 163 -11.469 -13.456 8.180 1.00 0.00 H new ATOM 0 HG21 THR A 163 -10.092 -13.679 10.154 1.00 0.00 H new ATOM 0 HG22 THR A 163 -9.461 -12.167 10.849 1.00 0.00 H new ATOM 0 HG23 THR A 163 -11.196 -12.546 10.971 1.00 0.00 H new ATOM 2597 N CYS A 164 -9.362 -9.266 10.784 1.00 0.00 N ATOM 2598 CA CYS A 164 -8.148 -8.539 11.154 1.00 0.00 C ATOM 2599 C CYS A 164 -7.787 -8.801 12.613 1.00 0.00 C ATOM 2600 O CYS A 164 -8.660 -8.882 13.477 1.00 0.00 O ATOM 2601 CB CYS A 164 -8.350 -7.037 10.934 1.00 0.00 C ATOM 2602 SG CYS A 164 -10.015 -6.568 11.469 1.00 0.00 S ATOM 0 H CYS A 164 -10.017 -9.419 11.551 1.00 0.00 H new ATOM 0 HA CYS A 164 -7.331 -8.890 10.524 1.00 0.00 H new ATOM 0 HB2 CYS A 164 -7.604 -6.473 11.494 1.00 0.00 H new ATOM 0 HB3 CYS A 164 -8.212 -6.791 9.881 1.00 0.00 H new ATOM 0 HG CYS A 164 -9.979 -6.178 12.708 1.00 0.00 H new ATOM 2608 N MET A 165 -6.493 -8.922 12.876 1.00 0.00 N ATOM 2609 CA MET A 165 -6.014 -9.163 14.229 1.00 0.00 C ATOM 2610 C MET A 165 -6.441 -8.031 15.155 1.00 0.00 C ATOM 2611 O MET A 165 -6.495 -8.196 16.373 1.00 0.00 O ATOM 2612 CB MET A 165 -4.487 -9.270 14.226 1.00 0.00 C ATOM 2613 CG MET A 165 -4.007 -9.767 15.591 1.00 0.00 C ATOM 2614 SD MET A 165 -2.202 -9.906 15.583 1.00 0.00 S ATOM 2615 CE MET A 165 -2.020 -10.599 17.244 1.00 0.00 C ATOM 0 H MET A 165 -5.758 -8.857 12.172 1.00 0.00 H new ATOM 0 HA MET A 165 -6.446 -10.097 14.589 1.00 0.00 H new ATOM 0 HB2 MET A 165 -4.161 -9.955 13.443 1.00 0.00 H new ATOM 0 HB3 MET A 165 -4.044 -8.299 14.005 1.00 0.00 H new ATOM 0 HG2 MET A 165 -4.326 -9.078 16.373 1.00 0.00 H new ATOM 0 HG3 MET A 165 -4.456 -10.735 15.816 1.00 0.00 H new ATOM 0 HE1 MET A 165 -0.964 -10.768 17.454 1.00 0.00 H new ATOM 0 HE2 MET A 165 -2.428 -9.902 17.976 1.00 0.00 H new ATOM 0 HE3 MET A 165 -2.558 -11.545 17.304 1.00 0.00 H new ATOM 2625 N HIS A 166 -6.735 -6.879 14.567 1.00 0.00 N ATOM 2626 CA HIS A 166 -7.147 -5.717 15.343 1.00 0.00 C ATOM 2627 C HIS A 166 -8.503 -5.946 16.009 1.00 0.00 C ATOM 2628 O HIS A 166 -8.854 -5.252 16.964 1.00 0.00 O ATOM 2629 CB HIS A 166 -7.226 -4.488 14.436 1.00 0.00 C ATOM 2630 CG HIS A 166 -7.330 -3.248 15.280 1.00 0.00 C ATOM 2631 ND1 HIS A 166 -6.459 -2.995 16.327 1.00 0.00 N ATOM 2632 CD2 HIS A 166 -8.196 -2.183 15.245 1.00 0.00 C ATOM 2633 CE1 HIS A 166 -6.816 -1.818 16.875 1.00 0.00 C ATOM 2634 NE2 HIS A 166 -7.870 -1.282 16.253 1.00 0.00 N ATOM 0 H HIS A 166 -6.696 -6.724 13.560 1.00 0.00 H new ATOM 0 HA HIS A 166 -6.404 -5.554 16.124 1.00 0.00 H new ATOM 0 HB2 HIS A 166 -6.342 -4.435 13.800 1.00 0.00 H new ATOM 0 HB3 HIS A 166 -8.090 -4.565 13.776 1.00 0.00 H new ATOM 0 HD2 HIS A 166 -9.007 -2.063 14.542 1.00 0.00 H new ATOM 0 HE1 HIS A 166 -6.312 -1.363 17.715 1.00 0.00 H new ATOM 0 HE2 HIS A 166 -8.336 -0.401 16.471 1.00 0.00 H new ATOM 2643 N THR A 167 -9.272 -6.915 15.502 1.00 0.00 N ATOM 2644 CA THR A 167 -10.598 -7.204 16.067 1.00 0.00 C ATOM 2645 C THR A 167 -10.548 -8.431 16.982 1.00 0.00 C ATOM 2646 O THR A 167 -11.561 -9.096 17.199 1.00 0.00 O ATOM 2647 CB THR A 167 -11.607 -7.442 14.930 1.00 0.00 C ATOM 2648 OG1 THR A 167 -11.306 -6.574 13.846 1.00 0.00 O ATOM 2649 CG2 THR A 167 -13.030 -7.161 15.426 1.00 0.00 C ATOM 0 H THR A 167 -9.007 -7.505 14.714 1.00 0.00 H new ATOM 0 HA THR A 167 -10.913 -6.346 16.661 1.00 0.00 H new ATOM 0 HB THR A 167 -11.541 -8.479 14.602 1.00 0.00 H new ATOM 0 HG1 THR A 167 -11.198 -7.100 13.026 1.00 0.00 H new ATOM 0 HG21 THR A 167 -13.738 -7.332 14.615 1.00 0.00 H new ATOM 0 HG22 THR A 167 -13.263 -7.826 16.258 1.00 0.00 H new ATOM 0 HG23 THR A 167 -13.102 -6.125 15.758 1.00 0.00 H new ATOM 2657 N GLY A 168 -9.368 -8.718 17.525 1.00 0.00 N ATOM 2658 CA GLY A 168 -9.206 -9.859 18.428 1.00 0.00 C ATOM 2659 C GLY A 168 -8.861 -11.136 17.664 1.00 0.00 C ATOM 2660 O GLY A 168 -8.392 -12.110 18.253 1.00 0.00 O ATOM 0 H GLY A 168 -8.516 -8.183 17.359 1.00 0.00 H new ATOM 0 HA2 GLY A 168 -8.419 -9.643 19.151 1.00 0.00 H new ATOM 0 HA3 GLY A 168 -10.126 -10.010 18.993 1.00 0.00 H new ATOM 2664 N ALA A 169 -9.091 -11.128 16.356 1.00 0.00 N ATOM 2665 CA ALA A 169 -8.790 -12.301 15.539 1.00 0.00 C ATOM 2666 C ALA A 169 -7.317 -12.670 15.681 1.00 0.00 C ATOM 2667 O ALA A 169 -6.500 -11.844 16.082 1.00 0.00 O ATOM 2668 CB ALA A 169 -9.116 -12.020 14.067 1.00 0.00 C ATOM 0 H ALA A 169 -9.479 -10.336 15.843 1.00 0.00 H new ATOM 0 HA ALA A 169 -9.403 -13.134 15.883 1.00 0.00 H new ATOM 0 HB1 ALA A 169 -8.887 -12.902 13.469 1.00 0.00 H new ATOM 0 HB2 ALA A 169 -10.174 -11.779 13.968 1.00 0.00 H new ATOM 0 HB3 ALA A 169 -8.518 -11.179 13.716 1.00 0.00 H new ATOM 2674 N ASP A 170 -6.979 -13.917 15.359 1.00 0.00 N ATOM 2675 CA ASP A 170 -5.592 -14.374 15.463 1.00 0.00 C ATOM 2676 C ASP A 170 -4.866 -14.169 14.141 1.00 0.00 C ATOM 2677 O ASP A 170 -3.705 -14.551 13.991 1.00 0.00 O ATOM 2678 CB ASP A 170 -5.557 -15.855 15.844 1.00 0.00 C ATOM 2679 CG ASP A 170 -6.125 -16.048 17.246 1.00 0.00 C ATOM 2680 OD1 ASP A 170 -6.127 -15.089 18.000 1.00 0.00 O ATOM 2681 OD2 ASP A 170 -6.551 -17.150 17.544 1.00 0.00 O ATOM 0 H ASP A 170 -7.637 -14.623 15.028 1.00 0.00 H new ATOM 0 HA ASP A 170 -5.091 -13.791 16.236 1.00 0.00 H new ATOM 0 HB2 ASP A 170 -6.134 -16.437 15.126 1.00 0.00 H new ATOM 0 HB3 ASP A 170 -4.532 -16.225 15.804 1.00 0.00 H new ATOM 2686 N HIS A 171 -5.560 -13.563 13.185 1.00 0.00 N ATOM 2687 CA HIS A 171 -4.977 -13.310 11.874 1.00 0.00 C ATOM 2688 C HIS A 171 -5.855 -12.348 11.079 1.00 0.00 C ATOM 2689 O HIS A 171 -6.741 -11.698 11.632 1.00 0.00 O ATOM 2690 CB HIS A 171 -4.833 -14.624 11.105 1.00 0.00 C ATOM 2691 CG HIS A 171 -6.194 -15.216 10.863 1.00 0.00 C ATOM 2692 ND1 HIS A 171 -6.918 -15.840 11.868 1.00 0.00 N ATOM 2693 CD2 HIS A 171 -6.977 -15.286 9.739 1.00 0.00 C ATOM 2694 CE1 HIS A 171 -8.081 -16.256 11.330 1.00 0.00 C ATOM 2695 NE2 HIS A 171 -8.167 -15.942 10.035 1.00 0.00 N ATOM 0 H HIS A 171 -6.521 -13.240 13.292 1.00 0.00 H new ATOM 0 HA HIS A 171 -3.993 -12.861 12.012 1.00 0.00 H new ATOM 0 HB2 HIS A 171 -4.327 -14.448 10.156 1.00 0.00 H new ATOM 0 HB3 HIS A 171 -4.216 -15.323 11.670 1.00 0.00 H new ATOM 0 HD2 HIS A 171 -6.710 -14.891 8.770 1.00 0.00 H new ATOM 0 HE1 HIS A 171 -8.850 -16.779 11.879 1.00 0.00 H new ATOM 0 HE2 HIS A 171 -8.940 -16.141 9.399 1.00 0.00 H new ATOM 2704 N CYS A 172 -5.599 -12.263 9.777 1.00 0.00 N ATOM 2705 CA CYS A 172 -6.370 -11.375 8.902 1.00 0.00 C ATOM 2706 C CYS A 172 -6.681 -12.066 7.579 1.00 0.00 C ATOM 2707 O CYS A 172 -6.007 -13.022 7.196 1.00 0.00 O ATOM 2708 CB CYS A 172 -5.578 -10.090 8.638 1.00 0.00 C ATOM 2709 SG CYS A 172 -4.760 -9.561 10.163 1.00 0.00 S ATOM 0 H CYS A 172 -4.868 -12.794 9.303 1.00 0.00 H new ATOM 0 HA CYS A 172 -7.309 -11.128 9.398 1.00 0.00 H new ATOM 0 HB2 CYS A 172 -4.838 -10.260 7.856 1.00 0.00 H new ATOM 0 HB3 CYS A 172 -6.245 -9.306 8.280 1.00 0.00 H new ATOM 0 HG CYS A 172 -4.086 -8.472 9.939 1.00 0.00 H new ATOM 2715 N MET A 173 -7.712 -11.577 6.881 1.00 0.00 N ATOM 2716 CA MET A 173 -8.104 -12.161 5.595 1.00 0.00 C ATOM 2717 C MET A 173 -8.357 -11.066 4.560 1.00 0.00 C ATOM 2718 O MET A 173 -9.331 -10.319 4.662 1.00 0.00 O ATOM 2719 CB MET A 173 -9.373 -12.999 5.770 1.00 0.00 C ATOM 2720 CG MET A 173 -9.815 -13.544 4.415 1.00 0.00 C ATOM 2721 SD MET A 173 -11.091 -14.812 4.652 1.00 0.00 S ATOM 2722 CE MET A 173 -10.048 -16.060 5.454 1.00 0.00 C ATOM 0 H MET A 173 -8.284 -10.787 7.181 1.00 0.00 H new ATOM 0 HA MET A 173 -7.291 -12.796 5.244 1.00 0.00 H new ATOM 0 HB2 MET A 173 -9.186 -13.821 6.461 1.00 0.00 H new ATOM 0 HB3 MET A 173 -10.166 -12.391 6.205 1.00 0.00 H new ATOM 0 HG2 MET A 173 -10.203 -12.735 3.796 1.00 0.00 H new ATOM 0 HG3 MET A 173 -8.961 -13.968 3.887 1.00 0.00 H new ATOM 0 HE1 MET A 173 -10.198 -17.025 4.970 1.00 0.00 H new ATOM 0 HE2 MET A 173 -9.001 -15.769 5.367 1.00 0.00 H new ATOM 0 HE3 MET A 173 -10.317 -16.137 6.507 1.00 0.00 H new ATOM 2732 N LEU A 174 -7.478 -10.980 3.560 1.00 0.00 N ATOM 2733 CA LEU A 174 -7.617 -9.971 2.498 1.00 0.00 C ATOM 2734 C LEU A 174 -7.824 -10.659 1.148 1.00 0.00 C ATOM 2735 O LEU A 174 -6.936 -11.335 0.650 1.00 0.00 O ATOM 2736 CB LEU A 174 -6.348 -9.084 2.442 1.00 0.00 C ATOM 2737 CG LEU A 174 -6.558 -7.808 3.269 1.00 0.00 C ATOM 2738 CD1 LEU A 174 -6.755 -8.175 4.743 1.00 0.00 C ATOM 2739 CD2 LEU A 174 -5.329 -6.902 3.126 1.00 0.00 C ATOM 0 H LEU A 174 -6.667 -11.590 3.460 1.00 0.00 H new ATOM 0 HA LEU A 174 -8.482 -9.345 2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -5.491 -9.638 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -6.123 -8.823 1.408 1.00 0.00 H new ATOM 0 HG LEU A 174 -7.443 -7.283 2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -6.904 -7.267 5.327 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -7.629 -8.819 4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -5.873 -8.701 5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -5.475 -5.995 3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -4.445 -7.428 3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -5.192 -6.638 2.077 1.00 0.00 H new ATOM 2751 N ILE A 175 -9.001 -10.473 0.566 1.00 0.00 N ATOM 2752 CA ILE A 175 -9.315 -11.081 -0.735 1.00 0.00 C ATOM 2753 C ILE A 175 -9.213 -10.034 -1.836 1.00 0.00 C ATOM 2754 O ILE A 175 -9.930 -9.037 -1.817 1.00 0.00 O ATOM 2755 CB ILE A 175 -10.730 -11.655 -0.708 1.00 0.00 C ATOM 2756 CG1 ILE A 175 -10.938 -12.472 0.577 1.00 0.00 C ATOM 2757 CG2 ILE A 175 -10.947 -12.550 -1.927 1.00 0.00 C ATOM 2758 CD1 ILE A 175 -9.820 -13.509 0.725 1.00 0.00 C ATOM 0 H ILE A 175 -9.754 -9.912 0.964 1.00 0.00 H new ATOM 0 HA ILE A 175 -8.602 -11.881 -0.933 1.00 0.00 H new ATOM 0 HB ILE A 175 -11.448 -10.835 -0.731 1.00 0.00 H new ATOM 0 HG12 ILE A 175 -10.947 -11.809 1.442 1.00 0.00 H new ATOM 0 HG13 ILE A 175 -11.907 -12.971 0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 175 -11.958 -12.958 -1.904 1.00 0.00 H new ATOM 0 HG22 ILE A 175 -10.812 -11.965 -2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 175 -10.226 -13.367 -1.911 1.00 0.00 H new ATOM 0 HD11 ILE A 175 -9.975 -14.084 1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 175 -9.831 -14.181 -0.133 1.00 0.00 H new ATOM 0 HD13 ILE A 175 -8.857 -13.001 0.775 1.00 0.00 H new ATOM 2770 N ILE A 176 -8.311 -10.259 -2.796 1.00 0.00 N ATOM 2771 CA ILE A 176 -8.123 -9.310 -3.892 1.00 0.00 C ATOM 2772 C ILE A 176 -8.817 -9.798 -5.155 1.00 0.00 C ATOM 2773 O ILE A 176 -8.358 -10.736 -5.806 1.00 0.00 O ATOM 2774 CB ILE A 176 -6.623 -9.120 -4.172 1.00 0.00 C ATOM 2775 CG1 ILE A 176 -5.867 -8.803 -2.840 1.00 0.00 C ATOM 2776 CG2 ILE A 176 -6.438 -7.959 -5.165 1.00 0.00 C ATOM 2777 CD1 ILE A 176 -5.067 -10.026 -2.390 1.00 0.00 C ATOM 0 H ILE A 176 -7.707 -11.080 -2.835 1.00 0.00 H new ATOM 0 HA ILE A 176 -8.563 -8.357 -3.597 1.00 0.00 H new ATOM 0 HB ILE A 176 -6.214 -10.036 -4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 176 -5.199 -7.954 -2.984 1.00 0.00 H new ATOM 0 HG13 ILE A 176 -6.580 -8.519 -2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 176 -5.376 -7.819 -5.368 1.00 0.00 H new ATOM 0 HG22 ILE A 176 -6.958 -8.189 -6.095 1.00 0.00 H new ATOM 0 HG23 ILE A 176 -6.849 -7.045 -4.737 1.00 0.00 H new ATOM 0 HD11 ILE A 176 -4.543 -9.797 -1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 176 -5.745 -10.864 -2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 176 -4.342 -10.290 -3.160 1.00 0.00 H new ATOM 2789 N GLU A 177 -9.924 -9.148 -5.500 1.00 0.00 N ATOM 2790 CA GLU A 177 -10.674 -9.514 -6.696 1.00 0.00 C ATOM 2791 C GLU A 177 -10.145 -8.737 -7.896 1.00 0.00 C ATOM 2792 O GLU A 177 -9.979 -7.520 -7.832 1.00 0.00 O ATOM 2793 CB GLU A 177 -12.162 -9.206 -6.495 1.00 0.00 C ATOM 2794 CG GLU A 177 -12.957 -9.681 -7.714 1.00 0.00 C ATOM 2795 CD GLU A 177 -14.442 -9.395 -7.511 1.00 0.00 C ATOM 2796 OE1 GLU A 177 -14.780 -8.826 -6.486 1.00 0.00 O ATOM 2797 OE2 GLU A 177 -15.217 -9.748 -8.384 1.00 0.00 O ATOM 0 H GLU A 177 -10.320 -8.370 -4.972 1.00 0.00 H new ATOM 0 HA GLU A 177 -10.552 -10.582 -6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 177 -12.527 -9.701 -5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 177 -12.305 -8.135 -6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 177 -12.600 -9.175 -8.611 1.00 0.00 H new ATOM 0 HG3 GLU A 177 -12.801 -10.749 -7.867 1.00 0.00 H new ATOM 2804 N LEU A 178 -9.875 -9.446 -8.986 1.00 0.00 N ATOM 2805 CA LEU A 178 -9.354 -8.809 -10.197 1.00 0.00 C ATOM 2806 C LEU A 178 -10.494 -8.469 -11.152 1.00 0.00 C ATOM 2807 O LEU A 178 -11.324 -9.322 -11.468 1.00 0.00 O ATOM 2808 CB LEU A 178 -8.370 -9.747 -10.904 1.00 0.00 C ATOM 2809 CG LEU A 178 -7.327 -10.278 -9.900 1.00 0.00 C ATOM 2810 CD1 LEU A 178 -6.675 -11.540 -10.466 1.00 0.00 C ATOM 2811 CD2 LEU A 178 -6.249 -9.215 -9.661 1.00 0.00 C ATOM 0 H LEU A 178 -10.006 -10.455 -9.060 1.00 0.00 H new ATOM 0 HA LEU A 178 -8.841 -7.892 -9.907 1.00 0.00 H new ATOM 0 HB2 LEU A 178 -8.910 -10.580 -11.354 1.00 0.00 H new ATOM 0 HB3 LEU A 178 -7.869 -9.217 -11.714 1.00 0.00 H new ATOM 0 HG LEU A 178 -7.821 -10.510 -8.957 1.00 0.00 H new ATOM 0 HD11 LEU A 178 -5.937 -11.917 -9.758 1.00 0.00 H new ATOM 0 HD12 LEU A 178 -7.438 -12.300 -10.634 1.00 0.00 H new ATOM 0 HD13 LEU A 178 -6.184 -11.304 -11.410 1.00 0.00 H new ATOM 0 HD21 LEU A 178 -5.514 -9.595 -8.951 1.00 0.00 H new ATOM 0 HD22 LEU A 178 -5.755 -8.980 -10.604 1.00 0.00 H new ATOM 0 HD23 LEU A 178 -6.710 -8.313 -9.258 1.00 0.00 H new ATOM 2823 N GLN A 179 -10.531 -7.222 -11.611 1.00 0.00 N ATOM 2824 CA GLN A 179 -11.578 -6.792 -12.532 1.00 0.00 C ATOM 2825 C GLN A 179 -11.271 -7.266 -13.949 1.00 0.00 C ATOM 2826 O GLN A 179 -10.131 -7.191 -14.407 1.00 0.00 O ATOM 2827 CB GLN A 179 -11.697 -5.268 -12.516 1.00 0.00 C ATOM 2828 CG GLN A 179 -12.252 -4.815 -11.165 1.00 0.00 C ATOM 2829 CD GLN A 179 -12.456 -3.304 -11.166 1.00 0.00 C ATOM 2830 OE1 GLN A 179 -11.540 -2.553 -10.832 1.00 0.00 O ATOM 2831 NE2 GLN A 179 -13.610 -2.811 -11.524 1.00 0.00 N ATOM 0 H GLN A 179 -9.856 -6.498 -11.364 1.00 0.00 H new ATOM 0 HA GLN A 179 -12.522 -7.231 -12.209 1.00 0.00 H new ATOM 0 HB2 GLN A 179 -10.721 -4.814 -12.691 1.00 0.00 H new ATOM 0 HB3 GLN A 179 -12.352 -4.935 -13.321 1.00 0.00 H new ATOM 0 HG2 GLN A 179 -13.198 -5.318 -10.964 1.00 0.00 H new ATOM 0 HG3 GLN A 179 -11.565 -5.097 -10.367 1.00 0.00 H new ATOM 0 HE21 GLN A 179 -14.368 -3.435 -11.800 1.00 0.00 H new ATOM 0 HE22 GLN A 179 -13.754 -1.801 -11.527 1.00 0.00 H new