USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 732 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: B 62 LYS NZ :NH3+ 154:sc= 0.982 (180deg=-0.191) USER MOD Set 1.2: B 65 THR OG1 : rot 141:sc= 0.408 USER MOD Set 2.1: B 42 ASN : amide:sc= 0.278 K(o=0.54,f=0) USER MOD Set 2.2: B 74 ASN : amide:sc= 0.261 K(o=0.54,f=-0.19) USER MOD Set 3.1: B 32 ASN : amide:sc= 0 K(o=-0.66,f=-3.9) USER MOD Set 3.2: B 35 GLN : amide:sc= -0.664 K(o=-0.66,f=-3.9!) USER MOD Set 4.1: B 14 ASN : amide:sc= -3.42 K(o=-3.4,f=-6.8!) USER MOD Set 4.2: B 31 MET CE :methyl 160:sc= 0 (180deg=-0.00491) USER MOD Set 5.1: B 1 ASP N :NH3+ 146:sc= 0.0396 (180deg=-0.0278) USER MOD Set 5.2: B 2 ASN : amide:sc= -0.0195 K(o=0.02,f=-1.6!) USER MOD Single : B 3 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : B 4 LYS NZ :NH3+ 173:sc=-0.000878 (180deg=-0.0625) USER MOD Single : B 9 GLN : amide:sc= -0.528 K(o=-0.53,f=-1.9!) USER MOD Single : B 10 MET CE :methyl -164:sc= 0 (180deg=-0.374) USER MOD Single : B 11 ASN :FLIP amide:sc=-0.00542 F(o=-1.2,f=-0.0054) USER MOD Single : B 12 SER OG : rot 165:sc= 1.3 USER MOD Single : B 15 SER OG : rot 73:sc= 0.677 USER MOD Single : B 17 ASN :FLIP amide:sc= -0.0706 F(o=-2.7!,f=-0.071) USER MOD Single : B 19 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0841) USER MOD Single : B 21 ASN : amide:sc= -0.166 K(o=-0.17,f=-0.88) USER MOD Single : B 22 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0305) USER MOD Single : B 24 LYS NZ :NH3+ 163:sc= 1.83 (180deg=1.41) USER MOD Single : B 26 LYS NZ :NH3+ 164:sc= -0.0509 (180deg=-0.319) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 7:sc= 0.236 USER MOD Single : B 34 ASN : amide:sc= -1.25 K(o=-1.3,f=-5.3!) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 40 SER OG : rot 84:sc= -1.54 USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 TYR OH : rot 90:sc= 0.0884 USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc=-1.35e-05 X(o=-1.3e-05,f=-0.21) USER MOD Single : B 59 ASN :FLIP amide:sc= -1.93 F(o=-3.1!,f=-1.9) USER MOD Single : B 64 TYR OH : rot -164:sc= -2.06! USER MOD Single : B 67 ASN : amide:sc= 0.688 K(o=0.69,f=-4.7!) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 SER OG : rot 180:sc= -0.229 USER MOD Single : B 71 THR OG1 : rot -2:sc= 1.29 USER MOD Single : B 76 SER OG : rot -83:sc= 0.609 USER MOD Single : B 77 ASN : amide:sc=-0.00647 K(o=-0.0065,f=-1.1) USER MOD Single : B 80 ASN : amide:sc= -2.96! C(o=-3!,f=-2.7!) USER MOD Single : B 81 LYS NZ :NH3+ -171:sc= 1.29 (180deg=1.12) USER MOD Single : B 83 ASN : amide:sc= -0.0937 K(o=-0.094,f=-1) USER MOD Single : B 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 87 MET CE :methyl -151:sc= -0.114 (180deg=-1.68!) USER MOD Single : B 88 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 93 GLN :FLIP amide:sc= -1.21! C(o=-3.1!,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 1 18.523 -12.080 7.991 1.00 0.00 N ATOM 2 CA ASP B 1 17.112 -11.669 8.178 1.00 0.00 C ATOM 3 C ASP B 1 16.903 -10.241 7.702 1.00 0.00 C ATOM 4 O ASP B 1 16.344 -9.409 8.419 1.00 0.00 O ATOM 5 CB ASP B 1 16.714 -11.783 9.650 1.00 0.00 C ATOM 6 CG ASP B 1 16.766 -13.207 10.152 1.00 0.00 C ATOM 7 OD1 ASP B 1 17.871 -13.680 10.488 1.00 0.00 O1- ATOM 8 OD2 ASP B 1 15.707 -13.859 10.214 1.00 0.00 O ATOM 0 H1 ASP B 1 18.802 -12.723 8.760 1.00 0.00 H new ATOM 0 H2 ASP B 1 18.624 -12.568 7.078 1.00 0.00 H new ATOM 0 H3 ASP B 1 19.134 -11.239 8.004 1.00 0.00 H new ATOM 0 HA ASP B 1 16.484 -12.334 7.586 1.00 0.00 H new ATOM 0 HB2 ASP B 1 17.379 -11.164 10.252 1.00 0.00 H new ATOM 0 HB3 ASP B 1 15.706 -11.391 9.782 1.00 0.00 H new ATOM 15 N ASN B 2 17.336 -9.959 6.483 1.00 0.00 N ATOM 16 CA ASN B 2 17.283 -8.605 5.948 1.00 0.00 C ATOM 17 C ASN B 2 15.889 -8.269 5.440 1.00 0.00 C ATOM 18 O ASN B 2 15.501 -7.103 5.396 1.00 0.00 O ATOM 19 CB ASN B 2 18.299 -8.427 4.818 1.00 0.00 C ATOM 20 CG ASN B 2 19.735 -8.414 5.302 1.00 0.00 C ATOM 21 OD1 ASN B 2 20.084 -9.070 6.284 1.00 0.00 O ATOM 22 ND2 ASN B 2 20.580 -7.664 4.612 1.00 0.00 N ATOM 0 H ASN B 2 17.729 -10.650 5.844 1.00 0.00 H new ATOM 0 HA ASN B 2 17.532 -7.923 6.761 1.00 0.00 H new ATOM 0 HB2 ASN B 2 18.173 -9.233 4.095 1.00 0.00 H new ATOM 0 HB3 ASN B 2 18.091 -7.494 4.294 1.00 0.00 H new ATOM 0 HD21 ASN B 2 21.561 -7.615 4.888 1.00 0.00 H new ATOM 0 HD22 ASN B 2 20.250 -7.136 3.804 1.00 0.00 H new ATOM 29 N GLN B 3 15.133 -9.291 5.063 1.00 0.00 N ATOM 30 CA GLN B 3 13.785 -9.091 4.547 1.00 0.00 C ATOM 31 C GLN B 3 12.814 -8.754 5.677 1.00 0.00 C ATOM 32 O GLN B 3 11.710 -8.269 5.437 1.00 0.00 O ATOM 33 CB GLN B 3 13.311 -10.329 3.782 1.00 0.00 C ATOM 34 CG GLN B 3 13.033 -11.540 4.660 1.00 0.00 C ATOM 35 CD GLN B 3 12.590 -12.754 3.866 1.00 0.00 C ATOM 36 OE1 GLN B 3 13.090 -12.885 2.646 1.00 0.00 O flip ATOM 37 NE2 GLN B 3 11.811 -13.576 4.349 1.00 0.00 N flip ATOM 0 H GLN B 3 15.429 -10.266 5.105 1.00 0.00 H new ATOM 0 HA GLN B 3 13.809 -8.248 3.857 1.00 0.00 H new ATOM 0 HB2 GLN B 3 12.404 -10.077 3.233 1.00 0.00 H new ATOM 0 HB3 GLN B 3 14.067 -10.596 3.043 1.00 0.00 H new ATOM 0 HG2 GLN B 3 13.933 -11.789 5.223 1.00 0.00 H new ATOM 0 HG3 GLN B 3 12.262 -11.286 5.387 1.00 0.00 H new ATOM 0 HE21 GLN B 3 11.447 -13.441 5.292 1.00 0.00 H new ATOM 0 HE22 GLN B 3 11.530 -14.392 3.806 1.00 0.00 H new ATOM 46 N LYS B 4 13.216 -9.044 6.908 1.00 0.00 N ATOM 47 CA LYS B 4 12.461 -8.668 8.067 1.00 0.00 C ATOM 48 C LYS B 4 13.052 -7.407 8.700 1.00 0.00 C ATOM 49 O LYS B 4 12.379 -6.693 9.448 1.00 0.00 O ATOM 50 CB LYS B 4 12.509 -9.832 9.040 1.00 0.00 C ATOM 51 CG LYS B 4 11.695 -9.611 10.288 1.00 0.00 C ATOM 52 CD LYS B 4 10.218 -9.392 9.985 1.00 0.00 C ATOM 53 CE LYS B 4 9.598 -10.580 9.262 1.00 0.00 C ATOM 54 NZ LYS B 4 9.638 -11.821 10.080 1.00 0.00 N1+ ATOM 0 H LYS B 4 14.078 -9.548 7.117 1.00 0.00 H new ATOM 0 HA LYS B 4 11.429 -8.444 7.798 1.00 0.00 H new ATOM 0 HB2 LYS B 4 12.150 -10.730 8.537 1.00 0.00 H new ATOM 0 HB3 LYS B 4 13.546 -10.017 9.321 1.00 0.00 H new ATOM 0 HG2 LYS B 4 11.804 -10.472 10.947 1.00 0.00 H new ATOM 0 HG3 LYS B 4 12.085 -8.747 10.825 1.00 0.00 H new ATOM 0 HD2 LYS B 4 9.680 -9.214 10.916 1.00 0.00 H new ATOM 0 HD3 LYS B 4 10.103 -8.496 9.374 1.00 0.00 H new ATOM 0 HE2 LYS B 4 8.564 -10.348 9.007 1.00 0.00 H new ATOM 0 HE3 LYS B 4 10.127 -10.748 8.324 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 9.102 -12.571 9.599 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 10.625 -12.125 10.202 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 9.215 -11.636 11.012 1.00 0.00 H new ATOM 68 N ALA B 5 14.313 -7.141 8.381 1.00 0.00 N ATOM 69 CA ALA B 5 15.027 -6.003 8.938 1.00 0.00 C ATOM 70 C ALA B 5 14.490 -4.697 8.378 1.00 0.00 C ATOM 71 O ALA B 5 14.464 -4.492 7.163 1.00 0.00 O ATOM 72 CB ALA B 5 16.518 -6.121 8.656 1.00 0.00 C ATOM 0 H ALA B 5 14.864 -7.704 7.734 1.00 0.00 H new ATOM 0 HA ALA B 5 14.871 -6.003 10.017 1.00 0.00 H new ATOM 0 HB1 ALA B 5 17.038 -5.261 9.080 1.00 0.00 H new ATOM 0 HB2 ALA B 5 16.902 -7.036 9.107 1.00 0.00 H new ATOM 0 HB3 ALA B 5 16.683 -6.150 7.579 1.00 0.00 H new ATOM 78 N LEU B 6 14.092 -3.799 9.271 1.00 0.00 N ATOM 79 CA LEU B 6 13.520 -2.519 8.873 1.00 0.00 C ATOM 80 C LEU B 6 14.593 -1.605 8.291 1.00 0.00 C ATOM 81 O LEU B 6 14.310 -0.490 7.852 1.00 0.00 O ATOM 82 CB LEU B 6 12.836 -1.851 10.065 1.00 0.00 C ATOM 83 CG LEU B 6 11.747 -2.689 10.740 1.00 0.00 C ATOM 84 CD1 LEU B 6 11.067 -1.890 11.839 1.00 0.00 C ATOM 85 CD2 LEU B 6 10.728 -3.172 9.720 1.00 0.00 C ATOM 0 H LEU B 6 14.155 -3.935 10.280 1.00 0.00 H new ATOM 0 HA LEU B 6 12.773 -2.701 8.100 1.00 0.00 H new ATOM 0 HB2 LEU B 6 13.594 -1.603 10.807 1.00 0.00 H new ATOM 0 HB3 LEU B 6 12.396 -0.911 9.732 1.00 0.00 H new ATOM 0 HG LEU B 6 12.217 -3.564 11.190 1.00 0.00 H new ATOM 0 HD11 LEU B 6 10.296 -2.500 12.309 1.00 0.00 H new ATOM 0 HD12 LEU B 6 11.805 -1.599 12.587 1.00 0.00 H new ATOM 0 HD13 LEU B 6 10.612 -0.997 11.411 1.00 0.00 H new ATOM 0 HD21 LEU B 6 9.964 -3.765 10.222 1.00 0.00 H new ATOM 0 HD22 LEU B 6 10.262 -2.313 9.237 1.00 0.00 H new ATOM 0 HD23 LEU B 6 11.227 -3.784 8.969 1.00 0.00 H new ATOM 97 N GLU B 7 15.828 -2.084 8.313 1.00 0.00 N ATOM 98 CA GLU B 7 16.928 -1.404 7.662 1.00 0.00 C ATOM 99 C GLU B 7 16.682 -1.337 6.161 1.00 0.00 C ATOM 100 O GLU B 7 16.794 -0.276 5.548 1.00 0.00 O ATOM 101 CB GLU B 7 18.232 -2.143 7.946 1.00 0.00 C ATOM 102 CG GLU B 7 18.455 -2.409 9.423 1.00 0.00 C ATOM 103 CD GLU B 7 19.754 -3.131 9.695 1.00 0.00 C ATOM 104 OE1 GLU B 7 20.828 -2.567 9.395 1.00 0.00 O1- ATOM 105 OE2 GLU B 7 19.708 -4.267 10.214 1.00 0.00 O ATOM 0 H GLU B 7 16.091 -2.951 8.781 1.00 0.00 H new ATOM 0 HA GLU B 7 17.002 -0.389 8.052 1.00 0.00 H new ATOM 0 HB2 GLU B 7 18.230 -3.091 7.408 1.00 0.00 H new ATOM 0 HB3 GLU B 7 19.066 -1.558 7.558 1.00 0.00 H new ATOM 0 HG2 GLU B 7 18.450 -1.462 9.963 1.00 0.00 H new ATOM 0 HG3 GLU B 7 17.626 -3.002 9.811 1.00 0.00 H new ATOM 112 N GLU B 8 16.337 -2.479 5.572 1.00 0.00 N ATOM 113 CA GLU B 8 16.058 -2.539 4.156 1.00 0.00 C ATOM 114 C GLU B 8 14.578 -2.340 3.892 1.00 0.00 C ATOM 115 O GLU B 8 14.179 -1.751 2.886 1.00 0.00 O ATOM 116 CB GLU B 8 16.526 -3.866 3.551 1.00 0.00 C ATOM 117 CG GLU B 8 17.975 -4.205 3.856 1.00 0.00 C ATOM 118 CD GLU B 8 18.552 -5.226 2.895 1.00 0.00 C ATOM 119 OE1 GLU B 8 17.919 -6.279 2.672 1.00 0.00 O1- ATOM 120 OE2 GLU B 8 19.635 -4.963 2.331 1.00 0.00 O ATOM 0 H GLU B 8 16.246 -3.370 6.060 1.00 0.00 H new ATOM 0 HA GLU B 8 16.613 -1.732 3.678 1.00 0.00 H new ATOM 0 HB2 GLU B 8 15.889 -4.668 3.924 1.00 0.00 H new ATOM 0 HB3 GLU B 8 16.392 -3.828 2.470 1.00 0.00 H new ATOM 0 HG2 GLU B 8 18.573 -3.295 3.815 1.00 0.00 H new ATOM 0 HG3 GLU B 8 18.048 -4.588 4.874 1.00 0.00 H new ATOM 127 N GLN B 9 13.781 -2.825 4.815 1.00 0.00 N ATOM 128 CA GLN B 9 12.333 -2.743 4.702 1.00 0.00 C ATOM 129 C GLN B 9 11.840 -1.416 5.246 1.00 0.00 C ATOM 130 O GLN B 9 11.840 -1.192 6.457 1.00 0.00 O ATOM 131 CB GLN B 9 11.665 -3.896 5.449 1.00 0.00 C ATOM 132 CG GLN B 9 12.171 -5.264 5.029 1.00 0.00 C ATOM 133 CD GLN B 9 12.008 -5.527 3.544 1.00 0.00 C ATOM 134 OE1 GLN B 9 12.818 -6.223 2.937 1.00 0.00 O ATOM 135 NE2 GLN B 9 10.949 -4.998 2.953 1.00 0.00 N ATOM 0 H GLN B 9 14.110 -3.286 5.663 1.00 0.00 H new ATOM 0 HA GLN B 9 12.067 -2.816 3.647 1.00 0.00 H new ATOM 0 HB2 GLN B 9 11.830 -3.769 6.519 1.00 0.00 H new ATOM 0 HB3 GLN B 9 10.588 -3.849 5.285 1.00 0.00 H new ATOM 0 HG2 GLN B 9 13.224 -5.353 5.294 1.00 0.00 H new ATOM 0 HG3 GLN B 9 11.636 -6.031 5.589 1.00 0.00 H new ATOM 0 HE21 GLN B 9 10.298 -4.425 3.490 1.00 0.00 H new ATOM 0 HE22 GLN B 9 10.783 -5.163 1.960 1.00 0.00 H new ATOM 144 N MET B 10 11.430 -0.539 4.347 1.00 0.00 N ATOM 145 CA MET B 10 10.979 0.787 4.732 1.00 0.00 C ATOM 146 C MET B 10 9.741 0.699 5.611 1.00 0.00 C ATOM 147 O MET B 10 8.820 -0.068 5.344 1.00 0.00 O ATOM 148 CB MET B 10 10.702 1.643 3.497 1.00 0.00 C ATOM 149 CG MET B 10 11.942 1.897 2.656 1.00 0.00 C ATOM 150 SD MET B 10 13.284 2.633 3.610 1.00 0.00 S ATOM 151 CE MET B 10 14.572 2.728 2.370 1.00 0.00 C ATOM 0 H MET B 10 11.400 -0.721 3.344 1.00 0.00 H new ATOM 0 HA MET B 10 11.773 1.263 5.307 1.00 0.00 H new ATOM 0 HB2 MET B 10 9.949 1.150 2.883 1.00 0.00 H new ATOM 0 HB3 MET B 10 10.282 2.598 3.811 1.00 0.00 H new ATOM 0 HG2 MET B 10 12.282 0.957 2.222 1.00 0.00 H new ATOM 0 HG3 MET B 10 11.686 2.556 1.827 1.00 0.00 H new ATOM 0 HE1 MET B 10 15.534 2.889 2.856 1.00 0.00 H new ATOM 0 HE2 MET B 10 14.603 1.796 1.805 1.00 0.00 H new ATOM 0 HE3 MET B 10 14.365 3.556 1.693 1.00 0.00 H new ATOM 161 N ASN B 11 9.751 1.493 6.671 1.00 0.00 N ATOM 162 CA ASN B 11 8.701 1.502 7.675 1.00 0.00 C ATOM 163 C ASN B 11 7.336 1.768 7.066 1.00 0.00 C ATOM 164 O ASN B 11 6.313 1.370 7.618 1.00 0.00 O ATOM 165 CB ASN B 11 8.992 2.562 8.736 1.00 0.00 C ATOM 166 CG ASN B 11 10.282 2.308 9.493 1.00 0.00 C ATOM 167 OD1 ASN B 11 10.644 1.044 9.663 1.00 0.00 O flip ATOM 168 ND2 ASN B 11 10.952 3.244 9.927 1.00 0.00 N flip ATOM 0 H ASN B 11 10.501 2.159 6.860 1.00 0.00 H new ATOM 0 HA ASN B 11 8.685 0.512 8.131 1.00 0.00 H new ATOM 0 HB2 ASN B 11 9.045 3.540 8.259 1.00 0.00 H new ATOM 0 HB3 ASN B 11 8.163 2.597 9.443 1.00 0.00 H new ATOM 0 HD21 ASN B 11 10.643 4.205 9.778 1.00 0.00 H new ATOM 0 HD22 ASN B 11 11.816 3.059 10.436 1.00 0.00 H new ATOM 175 N SER B 12 7.333 2.427 5.917 1.00 0.00 N ATOM 176 CA SER B 12 6.106 2.786 5.239 1.00 0.00 C ATOM 177 C SER B 12 5.365 1.528 4.830 1.00 0.00 C ATOM 178 O SER B 12 4.138 1.479 4.841 1.00 0.00 O ATOM 179 CB SER B 12 6.431 3.636 4.015 1.00 0.00 C ATOM 180 OG SER B 12 7.378 4.637 4.345 1.00 0.00 O ATOM 0 H SER B 12 8.180 2.725 5.433 1.00 0.00 H new ATOM 0 HA SER B 12 5.470 3.364 5.910 1.00 0.00 H new ATOM 0 HB2 SER B 12 6.824 3.003 3.219 1.00 0.00 H new ATOM 0 HB3 SER B 12 5.521 4.099 3.634 1.00 0.00 H new ATOM 0 HG SER B 12 7.753 5.017 3.523 1.00 0.00 H new ATOM 186 N ILE B 13 6.135 0.497 4.509 1.00 0.00 N ATOM 187 CA ILE B 13 5.582 -0.782 4.121 1.00 0.00 C ATOM 188 C ILE B 13 4.790 -1.367 5.277 1.00 0.00 C ATOM 189 O ILE B 13 3.684 -1.878 5.112 1.00 0.00 O ATOM 190 CB ILE B 13 6.698 -1.778 3.751 1.00 0.00 C ATOM 191 CG1 ILE B 13 7.683 -1.136 2.777 1.00 0.00 C ATOM 192 CG2 ILE B 13 6.108 -3.050 3.159 1.00 0.00 C ATOM 193 CD1 ILE B 13 7.127 -0.952 1.383 1.00 0.00 C ATOM 0 H ILE B 13 7.155 0.529 4.512 1.00 0.00 H new ATOM 0 HA ILE B 13 4.940 -0.620 3.255 1.00 0.00 H new ATOM 0 HB ILE B 13 7.237 -2.045 4.660 1.00 0.00 H new ATOM 0 HG12 ILE B 13 7.987 -0.165 3.168 1.00 0.00 H new ATOM 0 HG13 ILE B 13 8.580 -1.753 2.722 1.00 0.00 H new ATOM 0 HG21 ILE B 13 6.912 -3.740 2.904 1.00 0.00 H new ATOM 0 HG22 ILE B 13 5.446 -3.517 3.888 1.00 0.00 H new ATOM 0 HG23 ILE B 13 5.542 -2.805 2.260 1.00 0.00 H new ATOM 0 HD11 ILE B 13 7.883 -0.491 0.748 1.00 0.00 H new ATOM 0 HD12 ILE B 13 6.850 -1.922 0.971 1.00 0.00 H new ATOM 0 HD13 ILE B 13 6.247 -0.310 1.424 1.00 0.00 H new ATOM 205 N ASN B 14 5.381 -1.251 6.453 1.00 0.00 N ATOM 206 CA ASN B 14 4.838 -1.836 7.665 1.00 0.00 C ATOM 207 C ASN B 14 3.604 -1.063 8.103 1.00 0.00 C ATOM 208 O ASN B 14 2.612 -1.646 8.541 1.00 0.00 O ATOM 209 CB ASN B 14 5.888 -1.802 8.778 1.00 0.00 C ATOM 210 CG ASN B 14 7.304 -2.062 8.292 1.00 0.00 C ATOM 211 OD1 ASN B 14 8.258 -1.497 8.823 1.00 0.00 O ATOM 212 ND2 ASN B 14 7.461 -2.910 7.285 1.00 0.00 N ATOM 0 H ASN B 14 6.256 -0.746 6.594 1.00 0.00 H new ATOM 0 HA ASN B 14 4.562 -2.871 7.465 1.00 0.00 H new ATOM 0 HB2 ASN B 14 5.854 -0.828 9.267 1.00 0.00 H new ATOM 0 HB3 ASN B 14 5.630 -2.546 9.531 1.00 0.00 H new ATOM 0 HD21 ASN B 14 8.395 -3.111 6.928 1.00 0.00 H new ATOM 0 HD22 ASN B 14 6.648 -3.362 6.867 1.00 0.00 H new ATOM 219 N SER B 15 3.680 0.257 7.970 1.00 0.00 N ATOM 220 CA SER B 15 2.579 1.131 8.319 1.00 0.00 C ATOM 221 C SER B 15 1.354 0.821 7.467 1.00 0.00 C ATOM 222 O SER B 15 0.262 0.638 7.993 1.00 0.00 O ATOM 223 CB SER B 15 2.995 2.591 8.145 1.00 0.00 C ATOM 224 OG SER B 15 4.167 2.876 8.893 1.00 0.00 O ATOM 0 H SER B 15 4.505 0.744 7.619 1.00 0.00 H new ATOM 0 HA SER B 15 2.318 0.961 9.364 1.00 0.00 H new ATOM 0 HB2 SER B 15 3.172 2.800 7.090 1.00 0.00 H new ATOM 0 HB3 SER B 15 2.185 3.245 8.467 1.00 0.00 H new ATOM 0 HG SER B 15 4.940 2.456 8.462 1.00 0.00 H new ATOM 230 N VAL B 16 1.547 0.738 6.153 1.00 0.00 N ATOM 231 CA VAL B 16 0.447 0.434 5.238 1.00 0.00 C ATOM 232 C VAL B 16 -0.079 -0.978 5.487 1.00 0.00 C ATOM 233 O VAL B 16 -1.289 -1.220 5.438 1.00 0.00 O ATOM 234 CB VAL B 16 0.879 0.565 3.763 1.00 0.00 C ATOM 235 CG1 VAL B 16 -0.283 0.284 2.828 1.00 0.00 C ATOM 236 CG2 VAL B 16 1.455 1.942 3.488 1.00 0.00 C ATOM 0 H VAL B 16 2.450 0.876 5.698 1.00 0.00 H new ATOM 0 HA VAL B 16 -0.343 1.160 5.431 1.00 0.00 H new ATOM 0 HB VAL B 16 1.655 -0.177 3.578 1.00 0.00 H new ATOM 0 HG11 VAL B 16 0.049 0.383 1.795 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -0.648 -0.729 2.996 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -1.086 0.996 3.021 1.00 0.00 H new ATOM 0 HG21 VAL B 16 1.752 2.010 2.442 1.00 0.00 H new ATOM 0 HG22 VAL B 16 0.702 2.701 3.701 1.00 0.00 H new ATOM 0 HG23 VAL B 16 2.325 2.106 4.124 1.00 0.00 H new ATOM 246 N ASN B 17 0.849 -1.896 5.759 1.00 0.00 N ATOM 247 CA ASN B 17 0.525 -3.279 6.116 1.00 0.00 C ATOM 248 C ASN B 17 -0.521 -3.324 7.225 1.00 0.00 C ATOM 249 O ASN B 17 -1.494 -4.072 7.143 1.00 0.00 O ATOM 250 CB ASN B 17 1.811 -4.000 6.559 1.00 0.00 C ATOM 251 CG ASN B 17 1.594 -5.348 7.243 1.00 0.00 C ATOM 252 OD1 ASN B 17 0.563 -6.080 6.857 1.00 0.00 O flip ATOM 253 ND2 ASN B 17 2.371 -5.730 8.118 1.00 0.00 N flip ATOM 0 H ASN B 17 1.850 -1.701 5.738 1.00 0.00 H new ATOM 0 HA ASN B 17 0.106 -3.783 5.245 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.444 -4.151 5.685 1.00 0.00 H new ATOM 0 HB3 ASN B 17 2.358 -3.348 7.240 1.00 0.00 H new ATOM 0 HD21 ASN B 17 3.157 -5.142 8.394 1.00 0.00 H new ATOM 0 HD22 ASN B 17 2.228 -6.635 8.567 1.00 0.00 H new ATOM 260 N ASP B 18 -0.321 -2.511 8.248 1.00 0.00 N ATOM 261 CA ASP B 18 -1.232 -2.467 9.373 1.00 0.00 C ATOM 262 C ASP B 18 -2.435 -1.576 9.080 1.00 0.00 C ATOM 263 O ASP B 18 -3.564 -1.930 9.407 1.00 0.00 O ATOM 264 CB ASP B 18 -0.498 -1.964 10.610 1.00 0.00 C ATOM 265 CG ASP B 18 -0.407 -3.018 11.693 1.00 0.00 C ATOM 266 OD1 ASP B 18 -1.361 -3.138 12.494 1.00 0.00 O1- ATOM 267 OD2 ASP B 18 0.614 -3.733 11.751 1.00 0.00 O ATOM 0 H ASP B 18 0.469 -1.870 8.320 1.00 0.00 H new ATOM 0 HA ASP B 18 -1.600 -3.477 9.553 1.00 0.00 H new ATOM 0 HB2 ASP B 18 0.506 -1.647 10.330 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -1.012 -1.086 11.003 1.00 0.00 H new ATOM 272 N LYS B 19 -2.177 -0.434 8.446 1.00 0.00 N ATOM 273 CA LYS B 19 -3.180 0.569 8.174 1.00 0.00 C ATOM 274 C LYS B 19 -4.342 0.032 7.339 1.00 0.00 C ATOM 275 O LYS B 19 -5.506 0.189 7.705 1.00 0.00 O ATOM 276 CB LYS B 19 -2.488 1.692 7.432 1.00 0.00 C ATOM 277 CG LYS B 19 -2.773 3.065 7.980 1.00 0.00 C ATOM 278 CD LYS B 19 -4.215 3.493 7.747 1.00 0.00 C ATOM 279 CE LYS B 19 -4.503 3.782 6.281 1.00 0.00 C ATOM 280 NZ LYS B 19 -3.810 5.008 5.799 1.00 0.00 N1+ ATOM 0 H LYS B 19 -1.248 -0.185 8.106 1.00 0.00 H new ATOM 0 HA LYS B 19 -3.614 0.906 9.115 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -1.412 1.520 7.457 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -2.791 1.661 6.385 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -2.561 3.078 9.049 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -2.102 3.786 7.513 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -4.886 2.709 8.099 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -4.427 4.383 8.339 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -4.191 2.930 5.677 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -5.578 3.896 6.140 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -4.178 5.269 4.862 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -3.979 5.787 6.466 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -2.788 4.825 5.732 1.00 0.00 H new ATOM 294 N LEU B 20 -4.029 -0.582 6.209 1.00 0.00 N ATOM 295 CA LEU B 20 -5.064 -1.076 5.314 1.00 0.00 C ATOM 296 C LEU B 20 -5.727 -2.322 5.884 1.00 0.00 C ATOM 297 O LEU B 20 -6.904 -2.583 5.627 1.00 0.00 O ATOM 298 CB LEU B 20 -4.495 -1.365 3.926 1.00 0.00 C ATOM 299 CG LEU B 20 -3.963 -0.146 3.167 1.00 0.00 C ATOM 300 CD1 LEU B 20 -3.504 -0.549 1.774 1.00 0.00 C ATOM 301 CD2 LEU B 20 -5.022 0.949 3.088 1.00 0.00 C ATOM 0 H LEU B 20 -3.074 -0.749 5.891 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.820 -0.297 5.219 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.687 -2.090 4.027 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -5.272 -1.836 3.324 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.107 0.251 3.713 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -3.129 0.328 1.247 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -2.711 -1.292 1.853 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -4.344 -0.972 1.222 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -4.621 1.804 2.545 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -5.901 0.568 2.568 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.302 1.258 4.095 1.00 0.00 H new ATOM 313 N ASN B 21 -4.977 -3.070 6.678 1.00 0.00 N ATOM 314 CA ASN B 21 -5.484 -4.297 7.277 1.00 0.00 C ATOM 315 C ASN B 21 -6.140 -3.997 8.624 1.00 0.00 C ATOM 316 O ASN B 21 -5.705 -4.476 9.671 1.00 0.00 O ATOM 317 CB ASN B 21 -4.346 -5.312 7.441 1.00 0.00 C ATOM 318 CG ASN B 21 -4.819 -6.660 7.953 1.00 0.00 C ATOM 319 OD1 ASN B 21 -5.968 -7.050 7.753 1.00 0.00 O ATOM 320 ND2 ASN B 21 -3.926 -7.384 8.610 1.00 0.00 N ATOM 0 H ASN B 21 -4.012 -2.849 6.924 1.00 0.00 H new ATOM 0 HA ASN B 21 -6.238 -4.727 6.618 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -3.848 -5.449 6.481 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -3.604 -4.909 8.130 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -4.181 -8.303 8.972 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -2.983 -7.023 8.754 1.00 0.00 H new ATOM 327 N LYS B 22 -7.184 -3.183 8.587 1.00 0.00 N ATOM 328 CA LYS B 22 -7.928 -2.834 9.789 1.00 0.00 C ATOM 329 C LYS B 22 -9.424 -3.047 9.582 1.00 0.00 C ATOM 330 O LYS B 22 -9.962 -4.097 9.929 1.00 0.00 O ATOM 331 CB LYS B 22 -7.654 -1.386 10.200 1.00 0.00 C ATOM 332 CG LYS B 22 -6.236 -1.142 10.695 1.00 0.00 C ATOM 333 CD LYS B 22 -5.987 0.330 10.983 1.00 0.00 C ATOM 334 CE LYS B 22 -6.829 0.828 12.147 1.00 0.00 C ATOM 335 NZ LYS B 22 -6.358 0.288 13.450 1.00 0.00 N1+ ATOM 0 H LYS B 22 -7.537 -2.750 7.734 1.00 0.00 H new ATOM 0 HA LYS B 22 -7.591 -3.491 10.591 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -7.848 -0.734 9.348 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -8.356 -1.103 10.984 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -6.061 -1.725 11.599 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -5.524 -1.492 9.947 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -4.931 0.483 11.206 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -6.213 0.918 10.093 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -6.800 1.917 12.175 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -7.869 0.541 11.991 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -6.882 0.743 14.224 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -6.520 -0.739 13.479 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -5.342 0.481 13.559 1.00 0.00 H new ATOM 349 N GLY B 23 -10.086 -2.053 9.003 1.00 0.00 N ATOM 350 CA GLY B 23 -11.514 -2.149 8.766 1.00 0.00 C ATOM 351 C GLY B 23 -11.853 -2.268 7.297 1.00 0.00 C ATOM 352 O GLY B 23 -12.752 -1.585 6.799 1.00 0.00 O ATOM 0 H GLY B 23 -9.659 -1.180 8.693 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -11.909 -3.015 9.298 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -12.007 -1.269 9.179 1.00 0.00 H new ATOM 356 N LYS B 24 -11.120 -3.116 6.597 1.00 0.00 N ATOM 357 CA LYS B 24 -11.383 -3.372 5.193 1.00 0.00 C ATOM 358 C LYS B 24 -11.546 -4.865 4.961 1.00 0.00 C ATOM 359 O LYS B 24 -11.839 -5.615 5.894 1.00 0.00 O ATOM 360 CB LYS B 24 -10.252 -2.840 4.310 1.00 0.00 C ATOM 361 CG LYS B 24 -10.027 -1.343 4.411 1.00 0.00 C ATOM 362 CD LYS B 24 -8.922 -0.899 3.468 1.00 0.00 C ATOM 363 CE LYS B 24 -8.832 0.614 3.366 1.00 0.00 C ATOM 364 NZ LYS B 24 -8.407 1.248 4.640 1.00 0.00 N1+ ATOM 0 H LYS B 24 -10.334 -3.641 6.981 1.00 0.00 H new ATOM 0 HA LYS B 24 -12.303 -2.853 4.924 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -9.328 -3.353 4.577 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -10.468 -3.093 3.272 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -10.950 -0.815 4.171 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -9.765 -1.078 5.435 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -7.968 -1.296 3.815 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -9.100 -1.319 2.478 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -8.126 0.880 2.579 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -9.803 1.013 3.072 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -8.085 2.219 4.454 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -9.209 1.270 5.301 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -7.629 0.699 5.058 1.00 0.00 H new ATOM 378 N GLY B 25 -11.362 -5.288 3.718 1.00 0.00 N ATOM 379 CA GLY B 25 -11.460 -6.692 3.391 1.00 0.00 C ATOM 380 C GLY B 25 -10.327 -7.478 4.012 1.00 0.00 C ATOM 381 O GLY B 25 -9.294 -6.904 4.358 1.00 0.00 O ATOM 0 H GLY B 25 -11.146 -4.679 2.929 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -12.414 -7.084 3.743 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -11.443 -6.818 2.308 1.00 0.00 H new ATOM 385 N LYS B 26 -10.505 -8.781 4.164 1.00 0.00 N ATOM 386 CA LYS B 26 -9.476 -9.594 4.795 1.00 0.00 C ATOM 387 C LYS B 26 -8.414 -9.946 3.783 1.00 0.00 C ATOM 388 O LYS B 26 -8.655 -10.712 2.849 1.00 0.00 O ATOM 389 CB LYS B 26 -10.026 -10.873 5.437 1.00 0.00 C ATOM 390 CG LYS B 26 -11.181 -11.514 4.707 1.00 0.00 C ATOM 391 CD LYS B 26 -12.503 -10.964 5.195 1.00 0.00 C ATOM 392 CE LYS B 26 -13.677 -11.721 4.604 1.00 0.00 C ATOM 393 NZ LYS B 26 -13.726 -13.130 5.077 1.00 0.00 N1+ ATOM 0 H LYS B 26 -11.336 -9.291 3.865 1.00 0.00 H new ATOM 0 HA LYS B 26 -9.051 -8.996 5.601 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -9.217 -11.599 5.512 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -10.343 -10.642 6.454 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -11.082 -11.337 3.636 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -11.155 -12.594 4.855 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -12.542 -11.023 6.283 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -12.579 -9.910 4.930 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -14.605 -11.216 4.871 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -13.608 -11.706 3.516 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -14.665 -13.530 4.879 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -13.001 -13.688 4.582 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -13.546 -13.159 6.101 1.00 0.00 H new ATOM 407 N LEU B 27 -7.244 -9.381 3.966 1.00 0.00 N ATOM 408 CA LEU B 27 -6.171 -9.569 3.024 1.00 0.00 C ATOM 409 C LEU B 27 -4.874 -9.945 3.721 1.00 0.00 C ATOM 410 O LEU B 27 -4.623 -9.553 4.861 1.00 0.00 O ATOM 411 CB LEU B 27 -5.981 -8.317 2.165 1.00 0.00 C ATOM 412 CG LEU B 27 -5.176 -7.165 2.772 1.00 0.00 C ATOM 413 CD1 LEU B 27 -4.811 -6.180 1.677 1.00 0.00 C ATOM 414 CD2 LEU B 27 -5.956 -6.458 3.874 1.00 0.00 C ATOM 0 H LEU B 27 -7.012 -8.786 4.762 1.00 0.00 H new ATOM 0 HA LEU B 27 -6.446 -10.398 2.372 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -5.495 -8.616 1.236 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -6.968 -7.937 1.900 1.00 0.00 H new ATOM 0 HG LEU B 27 -4.271 -7.574 3.221 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -4.237 -5.357 2.104 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -4.212 -6.684 0.919 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -5.721 -5.790 1.221 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -5.354 -5.646 4.282 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -6.881 -6.053 3.463 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -6.192 -7.169 4.666 1.00 0.00 H new ATOM 426 N SER B 28 -4.076 -10.726 3.021 1.00 0.00 N ATOM 427 CA SER B 28 -2.780 -11.153 3.505 1.00 0.00 C ATOM 428 C SER B 28 -1.674 -10.351 2.837 1.00 0.00 C ATOM 429 O SER B 28 -1.508 -10.412 1.618 1.00 0.00 O ATOM 430 CB SER B 28 -2.598 -12.636 3.210 1.00 0.00 C ATOM 431 OG SER B 28 -3.483 -13.422 3.992 1.00 0.00 O ATOM 0 H SER B 28 -4.310 -11.084 2.095 1.00 0.00 H new ATOM 0 HA SER B 28 -2.726 -10.985 4.581 1.00 0.00 H new ATOM 0 HB2 SER B 28 -2.777 -12.825 2.151 1.00 0.00 H new ATOM 0 HB3 SER B 28 -1.568 -12.928 3.416 1.00 0.00 H new ATOM 0 HG SER B 28 -3.349 -14.370 3.784 1.00 0.00 H new ATOM 437 N LEU B 29 -0.924 -9.596 3.629 1.00 0.00 N ATOM 438 CA LEU B 29 0.152 -8.780 3.092 1.00 0.00 C ATOM 439 C LEU B 29 1.451 -9.571 3.031 1.00 0.00 C ATOM 440 O LEU B 29 1.679 -10.495 3.812 1.00 0.00 O ATOM 441 CB LEU B 29 0.382 -7.513 3.924 1.00 0.00 C ATOM 442 CG LEU B 29 -0.760 -6.492 3.971 1.00 0.00 C ATOM 443 CD1 LEU B 29 -1.233 -6.132 2.574 1.00 0.00 C ATOM 444 CD2 LEU B 29 -1.903 -7.006 4.815 1.00 0.00 C ATOM 0 H LEU B 29 -1.041 -9.533 4.640 1.00 0.00 H new ATOM 0 HA LEU B 29 -0.151 -8.486 2.087 1.00 0.00 H new ATOM 0 HB2 LEU B 29 0.607 -7.816 4.947 1.00 0.00 H new ATOM 0 HB3 LEU B 29 1.269 -7.011 3.538 1.00 0.00 H new ATOM 0 HG LEU B 29 -0.378 -5.582 4.435 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -2.043 -5.406 2.640 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -0.406 -5.702 2.009 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.590 -7.029 2.068 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -2.703 -6.265 4.835 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -2.280 -7.936 4.389 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -1.552 -7.188 5.831 1.00 0.00 H new ATOM 456 N SER B 30 2.291 -9.180 2.099 1.00 0.00 N ATOM 457 CA SER B 30 3.585 -9.786 1.900 1.00 0.00 C ATOM 458 C SER B 30 4.548 -8.743 1.346 1.00 0.00 C ATOM 459 O SER B 30 4.124 -7.807 0.662 1.00 0.00 O ATOM 460 CB SER B 30 3.456 -10.963 0.943 1.00 0.00 C ATOM 461 OG SER B 30 2.494 -10.697 -0.063 1.00 0.00 O ATOM 0 H SER B 30 2.090 -8.420 1.449 1.00 0.00 H new ATOM 0 HA SER B 30 3.974 -10.154 2.849 1.00 0.00 H new ATOM 0 HB2 SER B 30 4.422 -11.169 0.482 1.00 0.00 H new ATOM 0 HB3 SER B 30 3.170 -11.857 1.497 1.00 0.00 H new ATOM 0 HG SER B 30 2.200 -9.765 0.004 1.00 0.00 H new ATOM 467 N MET B 31 5.828 -8.893 1.640 1.00 0.00 N ATOM 468 CA MET B 31 6.815 -7.897 1.246 1.00 0.00 C ATOM 469 C MET B 31 7.874 -8.510 0.338 1.00 0.00 C ATOM 470 O MET B 31 8.226 -9.678 0.480 1.00 0.00 O ATOM 471 CB MET B 31 7.482 -7.295 2.487 1.00 0.00 C ATOM 472 CG MET B 31 6.494 -6.763 3.513 1.00 0.00 C ATOM 473 SD MET B 31 7.301 -6.141 5.000 1.00 0.00 S ATOM 474 CE MET B 31 5.880 -5.832 6.048 1.00 0.00 C ATOM 0 H MET B 31 6.209 -9.691 2.148 1.00 0.00 H new ATOM 0 HA MET B 31 6.301 -7.109 0.695 1.00 0.00 H new ATOM 0 HB2 MET B 31 8.107 -8.054 2.957 1.00 0.00 H new ATOM 0 HB3 MET B 31 8.142 -6.485 2.177 1.00 0.00 H new ATOM 0 HG2 MET B 31 5.905 -5.964 3.063 1.00 0.00 H new ATOM 0 HG3 MET B 31 5.799 -7.556 3.787 1.00 0.00 H new ATOM 0 HE1 MET B 31 6.198 -5.789 7.090 1.00 0.00 H new ATOM 0 HE2 MET B 31 5.422 -4.883 5.769 1.00 0.00 H new ATOM 0 HE3 MET B 31 5.154 -6.636 5.923 1.00 0.00 H new ATOM 484 N ASN B 32 8.364 -7.713 -0.597 1.00 0.00 N ATOM 485 CA ASN B 32 9.453 -8.120 -1.481 1.00 0.00 C ATOM 486 C ASN B 32 10.185 -6.871 -1.945 1.00 0.00 C ATOM 487 O ASN B 32 9.594 -6.028 -2.610 1.00 0.00 O ATOM 488 CB ASN B 32 8.914 -8.892 -2.689 1.00 0.00 C ATOM 489 CG ASN B 32 10.022 -9.501 -3.528 1.00 0.00 C ATOM 490 OD1 ASN B 32 10.558 -8.863 -4.435 1.00 0.00 O ATOM 491 ND2 ASN B 32 10.366 -10.744 -3.239 1.00 0.00 N ATOM 0 H ASN B 32 8.022 -6.767 -0.768 1.00 0.00 H new ATOM 0 HA ASN B 32 10.133 -8.779 -0.941 1.00 0.00 H new ATOM 0 HB2 ASN B 32 8.247 -9.682 -2.344 1.00 0.00 H new ATOM 0 HB3 ASN B 32 8.319 -8.222 -3.309 1.00 0.00 H new ATOM 0 HD21 ASN B 32 11.099 -11.208 -3.775 1.00 0.00 H new ATOM 0 HD22 ASN B 32 9.898 -11.239 -2.480 1.00 0.00 H new ATOM 498 N GLY B 33 11.454 -6.736 -1.589 1.00 0.00 N ATOM 499 CA GLY B 33 12.129 -5.470 -1.807 1.00 0.00 C ATOM 500 C GLY B 33 11.521 -4.417 -0.916 1.00 0.00 C ATOM 501 O GLY B 33 11.645 -4.484 0.304 1.00 0.00 O ATOM 0 H GLY B 33 12.022 -7.466 -1.160 1.00 0.00 H new ATOM 0 HA2 GLY B 33 13.193 -5.572 -1.594 1.00 0.00 H new ATOM 0 HA3 GLY B 33 12.040 -5.173 -2.852 1.00 0.00 H new ATOM 505 N ASN B 34 10.838 -3.467 -1.520 1.00 0.00 N ATOM 506 CA ASN B 34 10.010 -2.535 -0.778 1.00 0.00 C ATOM 507 C ASN B 34 8.639 -2.478 -1.426 1.00 0.00 C ATOM 508 O ASN B 34 8.023 -1.421 -1.542 1.00 0.00 O ATOM 509 CB ASN B 34 10.655 -1.151 -0.696 1.00 0.00 C ATOM 510 CG ASN B 34 11.601 -1.020 0.469 1.00 0.00 C ATOM 511 OD1 ASN B 34 11.377 -1.583 1.541 1.00 0.00 O ATOM 512 ND2 ASN B 34 12.666 -0.273 0.271 1.00 0.00 N ATOM 0 H ASN B 34 10.839 -3.318 -2.529 1.00 0.00 H new ATOM 0 HA ASN B 34 9.907 -2.884 0.250 1.00 0.00 H new ATOM 0 HB2 ASN B 34 11.195 -0.950 -1.622 1.00 0.00 H new ATOM 0 HB3 ASN B 34 9.874 -0.395 -0.612 1.00 0.00 H new ATOM 0 HD21 ASN B 34 13.344 -0.143 1.022 1.00 0.00 H new ATOM 0 HD22 ASN B 34 12.813 0.176 -0.633 1.00 0.00 H new ATOM 519 N GLN B 35 8.193 -3.645 -1.880 1.00 0.00 N ATOM 520 CA GLN B 35 6.867 -3.806 -2.445 1.00 0.00 C ATOM 521 C GLN B 35 5.886 -4.222 -1.369 1.00 0.00 C ATOM 522 O GLN B 35 6.276 -4.734 -0.316 1.00 0.00 O ATOM 523 CB GLN B 35 6.864 -4.888 -3.521 1.00 0.00 C ATOM 524 CG GLN B 35 7.781 -4.614 -4.692 1.00 0.00 C ATOM 525 CD GLN B 35 7.874 -5.802 -5.628 1.00 0.00 C ATOM 526 OE1 GLN B 35 7.073 -5.952 -6.554 1.00 0.00 O ATOM 527 NE2 GLN B 35 8.853 -6.657 -5.391 1.00 0.00 N ATOM 0 H GLN B 35 8.744 -4.503 -1.864 1.00 0.00 H new ATOM 0 HA GLN B 35 6.577 -2.849 -2.878 1.00 0.00 H new ATOM 0 HB2 GLN B 35 7.151 -5.836 -3.066 1.00 0.00 H new ATOM 0 HB3 GLN B 35 5.847 -5.009 -3.893 1.00 0.00 H new ATOM 0 HG2 GLN B 35 7.417 -3.746 -5.242 1.00 0.00 H new ATOM 0 HG3 GLN B 35 8.776 -4.364 -4.323 1.00 0.00 H new ATOM 0 HE21 GLN B 35 9.494 -6.496 -4.614 1.00 0.00 H new ATOM 0 HE22 GLN B 35 8.968 -7.478 -5.985 1.00 0.00 H new ATOM 536 N LEU B 36 4.618 -4.029 -1.657 1.00 0.00 N ATOM 537 CA LEU B 36 3.562 -4.540 -0.809 1.00 0.00 C ATOM 538 C LEU B 36 2.598 -5.342 -1.660 1.00 0.00 C ATOM 539 O LEU B 36 1.880 -4.796 -2.498 1.00 0.00 O ATOM 540 CB LEU B 36 2.815 -3.421 -0.101 1.00 0.00 C ATOM 541 CG LEU B 36 1.861 -3.882 1.002 1.00 0.00 C ATOM 542 CD1 LEU B 36 2.626 -4.546 2.138 1.00 0.00 C ATOM 543 CD2 LEU B 36 1.043 -2.713 1.522 1.00 0.00 C ATOM 0 H LEU B 36 4.291 -3.519 -2.477 1.00 0.00 H new ATOM 0 HA LEU B 36 4.010 -5.171 -0.041 1.00 0.00 H new ATOM 0 HB2 LEU B 36 3.543 -2.735 0.332 1.00 0.00 H new ATOM 0 HB3 LEU B 36 2.247 -2.858 -0.841 1.00 0.00 H new ATOM 0 HG LEU B 36 1.180 -4.618 0.576 1.00 0.00 H new ATOM 0 HD11 LEU B 36 1.926 -4.865 2.910 1.00 0.00 H new ATOM 0 HD12 LEU B 36 3.165 -5.413 1.756 1.00 0.00 H new ATOM 0 HD13 LEU B 36 3.336 -3.836 2.563 1.00 0.00 H new ATOM 0 HD21 LEU B 36 0.370 -3.060 2.306 1.00 0.00 H new ATOM 0 HD22 LEU B 36 1.711 -1.953 1.927 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.460 -2.286 0.706 1.00 0.00 H new ATOM 555 N LYS B 37 2.606 -6.634 -1.450 1.00 0.00 N ATOM 556 CA LYS B 37 1.784 -7.542 -2.226 1.00 0.00 C ATOM 557 C LYS B 37 0.740 -8.148 -1.314 1.00 0.00 C ATOM 558 O LYS B 37 0.999 -8.341 -0.125 1.00 0.00 O ATOM 559 CB LYS B 37 2.642 -8.639 -2.858 1.00 0.00 C ATOM 560 CG LYS B 37 3.960 -8.128 -3.426 1.00 0.00 C ATOM 561 CD LYS B 37 4.665 -9.179 -4.265 1.00 0.00 C ATOM 562 CE LYS B 37 5.029 -10.411 -3.452 1.00 0.00 C ATOM 563 NZ LYS B 37 5.633 -11.472 -4.298 1.00 0.00 N1+ ATOM 0 H LYS B 37 3.179 -7.090 -0.740 1.00 0.00 H new ATOM 0 HA LYS B 37 1.297 -6.995 -3.033 1.00 0.00 H new ATOM 0 HB2 LYS B 37 2.850 -9.403 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS B 37 2.074 -9.120 -3.655 1.00 0.00 H new ATOM 0 HG2 LYS B 37 3.773 -7.244 -4.035 1.00 0.00 H new ATOM 0 HG3 LYS B 37 4.612 -7.820 -2.608 1.00 0.00 H new ATOM 0 HD2 LYS B 37 4.022 -9.470 -5.095 1.00 0.00 H new ATOM 0 HD3 LYS B 37 5.569 -8.750 -4.697 1.00 0.00 H new ATOM 0 HE2 LYS B 37 5.728 -10.133 -2.664 1.00 0.00 H new ATOM 0 HE3 LYS B 37 4.136 -10.800 -2.963 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 5.867 -12.295 -3.708 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 4.956 -11.756 -5.035 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 6.499 -11.109 -4.745 1.00 0.00 H new ATOM 577 N ALA B 38 -0.430 -8.449 -1.846 1.00 0.00 N ATOM 578 CA ALA B 38 -1.527 -8.880 -1.000 1.00 0.00 C ATOM 579 C ALA B 38 -2.567 -9.695 -1.751 1.00 0.00 C ATOM 580 O ALA B 38 -2.672 -9.624 -2.977 1.00 0.00 O ATOM 581 CB ALA B 38 -2.185 -7.671 -0.365 1.00 0.00 C ATOM 0 H ALA B 38 -0.644 -8.404 -2.842 1.00 0.00 H new ATOM 0 HA ALA B 38 -1.105 -9.530 -0.233 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -3.009 -7.997 0.270 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -1.453 -7.133 0.237 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -2.567 -7.013 -1.145 1.00 0.00 H new ATOM 587 N THR B 39 -3.320 -10.477 -0.991 1.00 0.00 N ATOM 588 CA THR B 39 -4.472 -11.189 -1.503 1.00 0.00 C ATOM 589 C THR B 39 -5.637 -10.996 -0.545 1.00 0.00 C ATOM 590 O THR B 39 -5.464 -11.115 0.666 1.00 0.00 O ATOM 591 CB THR B 39 -4.184 -12.686 -1.669 1.00 0.00 C ATOM 592 OG1 THR B 39 -3.430 -13.170 -0.547 1.00 0.00 O ATOM 593 CG2 THR B 39 -3.427 -12.963 -2.959 1.00 0.00 C ATOM 0 H THR B 39 -3.145 -10.633 0.002 1.00 0.00 H new ATOM 0 HA THR B 39 -4.716 -10.787 -2.486 1.00 0.00 H new ATOM 0 HB THR B 39 -5.139 -13.209 -1.717 1.00 0.00 H new ATOM 0 HG1 THR B 39 -3.252 -14.127 -0.661 1.00 0.00 H new ATOM 0 HG21 THR B 39 -3.238 -14.033 -3.047 1.00 0.00 H new ATOM 0 HG22 THR B 39 -4.022 -12.628 -3.809 1.00 0.00 H new ATOM 0 HG23 THR B 39 -2.478 -12.427 -2.946 1.00 0.00 H new ATOM 601 N SER B 40 -6.810 -10.703 -1.076 1.00 0.00 N ATOM 602 CA SER B 40 -7.918 -10.240 -0.249 1.00 0.00 C ATOM 603 C SER B 40 -9.210 -11.000 -0.534 1.00 0.00 C ATOM 604 O SER B 40 -9.452 -11.433 -1.664 1.00 0.00 O ATOM 605 CB SER B 40 -8.149 -8.753 -0.515 1.00 0.00 C ATOM 606 OG SER B 40 -6.919 -8.068 -0.686 1.00 0.00 O ATOM 0 H SER B 40 -7.023 -10.776 -2.071 1.00 0.00 H new ATOM 0 HA SER B 40 -7.651 -10.417 0.793 1.00 0.00 H new ATOM 0 HB2 SER B 40 -8.764 -8.631 -1.407 1.00 0.00 H new ATOM 0 HB3 SER B 40 -8.701 -8.313 0.315 1.00 0.00 H new ATOM 0 HG SER B 40 -6.619 -8.161 -1.614 1.00 0.00 H new ATOM 612 N SER B 41 -10.034 -11.168 0.496 1.00 0.00 N ATOM 613 CA SER B 41 -11.395 -11.639 0.301 1.00 0.00 C ATOM 614 C SER B 41 -12.348 -10.452 0.337 1.00 0.00 C ATOM 615 O SER B 41 -12.189 -9.533 1.150 1.00 0.00 O ATOM 616 CB SER B 41 -11.786 -12.653 1.364 1.00 0.00 C ATOM 617 OG SER B 41 -10.720 -13.549 1.633 1.00 0.00 O ATOM 0 H SER B 41 -9.782 -10.985 1.467 1.00 0.00 H new ATOM 0 HA SER B 41 -11.455 -12.133 -0.669 1.00 0.00 H new ATOM 0 HB2 SER B 41 -12.068 -12.134 2.280 1.00 0.00 H new ATOM 0 HB3 SER B 41 -12.661 -13.213 1.033 1.00 0.00 H new ATOM 0 HG SER B 41 -10.997 -14.190 2.321 1.00 0.00 H new ATOM 623 N ASN B 42 -13.350 -10.503 -0.520 1.00 0.00 N ATOM 624 CA ASN B 42 -14.219 -9.364 -0.781 1.00 0.00 C ATOM 625 C ASN B 42 -15.566 -9.528 -0.097 1.00 0.00 C ATOM 626 O ASN B 42 -16.584 -9.044 -0.580 1.00 0.00 O ATOM 627 CB ASN B 42 -14.429 -9.194 -2.286 1.00 0.00 C ATOM 628 CG ASN B 42 -13.151 -8.849 -3.024 1.00 0.00 C ATOM 629 OD1 ASN B 42 -12.409 -9.730 -3.463 1.00 0.00 O ATOM 630 ND2 ASN B 42 -12.887 -7.564 -3.162 1.00 0.00 N ATOM 0 H ASN B 42 -13.588 -11.336 -1.058 1.00 0.00 H new ATOM 0 HA ASN B 42 -13.732 -8.476 -0.377 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -14.842 -10.115 -2.697 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -15.166 -8.409 -2.459 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -12.041 -7.266 -3.648 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -13.529 -6.868 -2.783 1.00 0.00 H new ATOM 637 N ALA B 43 -15.555 -10.187 1.043 1.00 0.00 N ATOM 638 CA ALA B 43 -16.789 -10.510 1.761 1.00 0.00 C ATOM 639 C ALA B 43 -17.241 -9.368 2.673 1.00 0.00 C ATOM 640 O ALA B 43 -17.972 -9.586 3.640 1.00 0.00 O ATOM 641 CB ALA B 43 -16.602 -11.779 2.571 1.00 0.00 C ATOM 0 H ALA B 43 -14.705 -10.515 1.501 1.00 0.00 H new ATOM 0 HA ALA B 43 -17.570 -10.662 1.016 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -17.525 -12.011 3.102 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -16.350 -12.603 1.903 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -15.796 -11.636 3.291 1.00 0.00 H new ATOM 647 N GLY B 44 -16.796 -8.160 2.372 1.00 0.00 N ATOM 648 CA GLY B 44 -17.141 -7.016 3.192 1.00 0.00 C ATOM 649 C GLY B 44 -16.301 -5.809 2.852 1.00 0.00 C ATOM 650 O GLY B 44 -16.797 -4.685 2.869 1.00 0.00 O ATOM 0 H GLY B 44 -16.200 -7.949 1.572 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -18.195 -6.775 3.055 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -17.006 -7.269 4.244 1.00 0.00 H new ATOM 654 N TYR B 45 -15.028 -6.068 2.531 1.00 0.00 N ATOM 655 CA TYR B 45 -14.057 -5.057 2.117 1.00 0.00 C ATOM 656 C TYR B 45 -14.188 -3.723 2.882 1.00 0.00 C ATOM 657 O TYR B 45 -14.407 -3.734 4.091 1.00 0.00 O ATOM 658 CB TYR B 45 -14.100 -4.883 0.600 1.00 0.00 C ATOM 659 CG TYR B 45 -15.485 -4.655 0.012 1.00 0.00 C ATOM 660 CD1 TYR B 45 -16.192 -3.479 0.236 1.00 0.00 C ATOM 661 CD2 TYR B 45 -16.089 -5.637 -0.764 1.00 0.00 C ATOM 662 CE1 TYR B 45 -17.452 -3.290 -0.293 1.00 0.00 C ATOM 663 CE2 TYR B 45 -17.350 -5.455 -1.295 1.00 0.00 C ATOM 664 CZ TYR B 45 -18.029 -4.280 -1.057 1.00 0.00 C ATOM 665 OH TYR B 45 -19.289 -4.097 -1.582 1.00 0.00 O ATOM 0 H TYR B 45 -14.638 -7.010 2.554 1.00 0.00 H new ATOM 0 HA TYR B 45 -13.067 -5.422 2.390 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -13.465 -4.040 0.329 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -13.668 -5.770 0.136 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -15.746 -2.699 0.835 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -15.562 -6.560 -0.955 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -17.984 -2.369 -0.109 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -17.803 -6.231 -1.895 1.00 0.00 H new ATOM 0 HH TYR B 45 -19.548 -4.890 -2.096 1.00 0.00 H new ATOM 675 N GLY B 46 -13.999 -2.582 2.207 1.00 0.00 N ATOM 676 CA GLY B 46 -14.038 -1.308 2.890 1.00 0.00 C ATOM 677 C GLY B 46 -15.448 -0.842 3.199 1.00 0.00 C ATOM 678 O GLY B 46 -16.222 -0.532 2.290 1.00 0.00 O ATOM 0 H GLY B 46 -13.821 -2.527 1.204 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -13.475 -1.384 3.820 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -13.540 -0.558 2.276 1.00 0.00 H new ATOM 682 N ILE B 47 -15.789 -0.812 4.483 1.00 0.00 N ATOM 683 CA ILE B 47 -17.081 -0.292 4.924 1.00 0.00 C ATOM 684 C ILE B 47 -16.871 0.861 5.882 1.00 0.00 C ATOM 685 O ILE B 47 -17.371 1.965 5.665 1.00 0.00 O ATOM 686 CB ILE B 47 -17.939 -1.342 5.657 1.00 0.00 C ATOM 687 CG1 ILE B 47 -17.516 -2.763 5.304 1.00 0.00 C ATOM 688 CG2 ILE B 47 -19.406 -1.131 5.332 1.00 0.00 C ATOM 689 CD1 ILE B 47 -16.473 -3.331 6.242 1.00 0.00 C ATOM 0 H ILE B 47 -15.188 -1.142 5.239 1.00 0.00 H new ATOM 0 HA ILE B 47 -17.604 0.017 4.019 1.00 0.00 H new ATOM 0 HB ILE B 47 -17.785 -1.212 6.728 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -18.394 -3.409 5.315 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -17.124 -2.775 4.287 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -20.005 -1.877 5.854 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -19.710 -0.134 5.651 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -19.559 -1.230 4.257 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -16.218 -4.345 5.932 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -15.579 -2.707 6.213 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -16.869 -3.351 7.257 1.00 0.00 H new ATOM 701 N SER B 48 -16.143 0.567 6.959 1.00 0.00 N ATOM 702 CA SER B 48 -15.778 1.552 7.967 1.00 0.00 C ATOM 703 C SER B 48 -15.333 2.860 7.328 1.00 0.00 C ATOM 704 O SER B 48 -15.868 3.930 7.624 1.00 0.00 O ATOM 705 CB SER B 48 -14.652 0.993 8.825 1.00 0.00 C ATOM 706 OG SER B 48 -15.057 -0.193 9.487 1.00 0.00 O ATOM 0 H SER B 48 -15.789 -0.369 7.154 1.00 0.00 H new ATOM 0 HA SER B 48 -16.654 1.759 8.582 1.00 0.00 H new ATOM 0 HB2 SER B 48 -13.783 0.786 8.201 1.00 0.00 H new ATOM 0 HB3 SER B 48 -14.346 1.738 9.560 1.00 0.00 H new ATOM 0 HG SER B 48 -14.316 -0.534 10.030 1.00 0.00 H new ATOM 712 N TYR B 49 -14.358 2.755 6.452 1.00 0.00 N ATOM 713 CA TYR B 49 -13.868 3.903 5.710 1.00 0.00 C ATOM 714 C TYR B 49 -14.530 3.930 4.344 1.00 0.00 C ATOM 715 O TYR B 49 -14.418 2.972 3.575 1.00 0.00 O ATOM 716 CB TYR B 49 -12.348 3.838 5.541 1.00 0.00 C ATOM 717 CG TYR B 49 -11.651 3.042 6.617 1.00 0.00 C ATOM 718 CD1 TYR B 49 -11.487 3.549 7.899 1.00 0.00 C ATOM 719 CD2 TYR B 49 -11.168 1.771 6.345 1.00 0.00 C ATOM 720 CE1 TYR B 49 -10.858 2.808 8.880 1.00 0.00 C ATOM 721 CE2 TYR B 49 -10.542 1.024 7.318 1.00 0.00 C ATOM 722 CZ TYR B 49 -10.388 1.546 8.584 1.00 0.00 C ATOM 723 OH TYR B 49 -9.771 0.800 9.558 1.00 0.00 O ATOM 0 H TYR B 49 -13.883 1.879 6.233 1.00 0.00 H new ATOM 0 HA TYR B 49 -14.112 4.809 6.265 1.00 0.00 H new ATOM 0 HB2 TYR B 49 -12.118 3.399 4.570 1.00 0.00 H new ATOM 0 HB3 TYR B 49 -11.948 4.852 5.535 1.00 0.00 H new ATOM 0 HD1 TYR B 49 -11.856 4.537 8.132 1.00 0.00 H new ATOM 0 HD2 TYR B 49 -11.285 1.360 5.353 1.00 0.00 H new ATOM 0 HE1 TYR B 49 -10.735 3.215 9.873 1.00 0.00 H new ATOM 0 HE2 TYR B 49 -10.174 0.035 7.090 1.00 0.00 H new ATOM 0 HH TYR B 49 -10.440 0.263 10.032 1.00 0.00 H new ATOM 733 N GLU B 50 -15.241 5.004 4.054 1.00 0.00 N ATOM 734 CA GLU B 50 -15.917 5.127 2.779 1.00 0.00 C ATOM 735 C GLU B 50 -15.057 5.898 1.788 1.00 0.00 C ATOM 736 O GLU B 50 -14.324 5.301 1.003 1.00 0.00 O ATOM 737 CB GLU B 50 -17.284 5.793 2.945 1.00 0.00 C ATOM 738 CG GLU B 50 -18.166 5.105 3.971 1.00 0.00 C ATOM 739 CD GLU B 50 -19.625 5.479 3.829 1.00 0.00 C ATOM 740 OE1 GLU B 50 -19.993 6.614 4.187 1.00 0.00 O ATOM 741 OE2 GLU B 50 -20.414 4.632 3.353 1.00 0.00 O1- ATOM 0 H GLU B 50 -15.364 5.799 4.681 1.00 0.00 H new ATOM 0 HA GLU B 50 -16.079 4.124 2.384 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -17.141 6.833 3.238 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -17.796 5.801 1.983 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -18.060 4.025 3.870 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -17.824 5.366 4.972 1.00 0.00 H new ATOM 748 N ASP B 51 -15.118 7.218 1.832 1.00 0.00 N ATOM 749 CA ASP B 51 -14.355 8.012 0.887 1.00 0.00 C ATOM 750 C ASP B 51 -13.125 8.624 1.531 1.00 0.00 C ATOM 751 O ASP B 51 -13.216 9.548 2.342 1.00 0.00 O ATOM 752 CB ASP B 51 -15.224 9.108 0.273 1.00 0.00 C ATOM 753 CG ASP B 51 -14.421 10.086 -0.562 1.00 0.00 C ATOM 754 OD1 ASP B 51 -14.037 9.733 -1.693 1.00 0.00 O1- ATOM 755 OD2 ASP B 51 -14.164 11.215 -0.088 1.00 0.00 O ATOM 0 H ASP B 51 -15.676 7.753 2.498 1.00 0.00 H new ATOM 0 HA ASP B 51 -14.022 7.339 0.097 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -15.994 8.651 -0.349 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -15.736 9.649 1.068 1.00 0.00 H new ATOM 760 N LYS B 52 -11.979 8.088 1.153 1.00 0.00 N ATOM 761 CA LYS B 52 -10.685 8.660 1.477 1.00 0.00 C ATOM 762 C LYS B 52 -9.735 8.291 0.359 1.00 0.00 C ATOM 763 O LYS B 52 -9.725 7.144 -0.081 1.00 0.00 O ATOM 764 CB LYS B 52 -10.108 8.124 2.792 1.00 0.00 C ATOM 765 CG LYS B 52 -10.997 8.280 4.014 1.00 0.00 C ATOM 766 CD LYS B 52 -10.273 7.819 5.269 1.00 0.00 C ATOM 767 CE LYS B 52 -11.149 7.937 6.502 1.00 0.00 C ATOM 768 NZ LYS B 52 -10.402 7.601 7.743 1.00 0.00 N1+ ATOM 0 H LYS B 52 -11.920 7.230 0.604 1.00 0.00 H new ATOM 0 HA LYS B 52 -10.808 9.737 1.591 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -9.881 7.066 2.663 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -9.163 8.631 2.986 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -11.294 9.323 4.122 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -11.910 7.700 3.882 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -9.957 6.783 5.146 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -9.370 8.414 5.407 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -11.538 8.952 6.576 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -12.008 7.273 6.403 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -11.034 7.693 8.564 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -10.052 6.624 7.683 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -9.597 8.251 7.851 1.00 0.00 H new ATOM 782 N ASN B 53 -8.962 9.239 -0.116 1.00 0.00 N ATOM 783 CA ASN B 53 -7.994 8.954 -1.157 1.00 0.00 C ATOM 784 C ASN B 53 -6.591 9.266 -0.686 1.00 0.00 C ATOM 785 O ASN B 53 -6.310 10.365 -0.207 1.00 0.00 O ATOM 786 CB ASN B 53 -8.306 9.709 -2.458 1.00 0.00 C ATOM 787 CG ASN B 53 -8.737 11.161 -2.278 1.00 0.00 C ATOM 788 OD1 ASN B 53 -9.498 11.684 -3.091 1.00 0.00 O ATOM 789 ND2 ASN B 53 -8.253 11.831 -1.243 1.00 0.00 N ATOM 0 H ASN B 53 -8.981 10.210 0.197 1.00 0.00 H new ATOM 0 HA ASN B 53 -8.062 7.888 -1.375 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -7.421 9.685 -3.094 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -9.095 9.176 -2.989 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -8.509 12.808 -1.103 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -7.624 11.370 -0.586 1.00 0.00 H new ATOM 796 N TRP B 54 -5.713 8.295 -0.804 1.00 0.00 N ATOM 797 CA TRP B 54 -4.333 8.495 -0.461 1.00 0.00 C ATOM 798 C TRP B 54 -3.449 7.691 -1.401 1.00 0.00 C ATOM 799 O TRP B 54 -3.912 6.747 -2.046 1.00 0.00 O ATOM 800 CB TRP B 54 -4.085 8.132 1.002 1.00 0.00 C ATOM 801 CG TRP B 54 -4.132 6.672 1.307 1.00 0.00 C ATOM 802 CD1 TRP B 54 -5.240 5.885 1.424 1.00 0.00 C ATOM 803 CD2 TRP B 54 -3.008 5.832 1.560 1.00 0.00 C ATOM 804 NE1 TRP B 54 -4.873 4.600 1.736 1.00 0.00 N ATOM 805 CE2 TRP B 54 -3.501 4.541 1.821 1.00 0.00 C ATOM 806 CE3 TRP B 54 -1.625 6.050 1.588 1.00 0.00 C ATOM 807 CZ2 TRP B 54 -2.656 3.473 2.110 1.00 0.00 C ATOM 808 CZ3 TRP B 54 -0.795 4.987 1.869 1.00 0.00 C ATOM 809 CH2 TRP B 54 -1.312 3.715 2.127 1.00 0.00 C ATOM 0 H TRP B 54 -5.937 7.357 -1.137 1.00 0.00 H new ATOM 0 HA TRP B 54 -4.080 9.549 -0.578 1.00 0.00 H new ATOM 0 HB2 TRP B 54 -3.109 8.518 1.296 1.00 0.00 H new ATOM 0 HB3 TRP B 54 -4.827 8.640 1.618 1.00 0.00 H new ATOM 0 HD1 TRP B 54 -6.257 6.224 1.291 1.00 0.00 H new ATOM 0 HE1 TRP B 54 -5.512 3.818 1.881 1.00 0.00 H new ATOM 0 HE3 TRP B 54 -1.218 7.031 1.393 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 -3.049 2.488 2.314 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 0.274 5.140 1.890 1.00 0.00 H new ATOM 0 HH2 TRP B 54 -0.633 2.904 2.345 1.00 0.00 H new ATOM 820 N GLY B 55 -2.196 8.083 -1.494 1.00 0.00 N ATOM 821 CA GLY B 55 -1.298 7.451 -2.426 1.00 0.00 C ATOM 822 C GLY B 55 -0.090 6.865 -1.743 1.00 0.00 C ATOM 823 O GLY B 55 0.358 7.375 -0.712 1.00 0.00 O ATOM 0 H GLY B 55 -1.782 8.831 -0.938 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -1.828 6.664 -2.962 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -0.975 8.181 -3.169 1.00 0.00 H new ATOM 827 N ILE B 56 0.418 5.777 -2.289 1.00 0.00 N ATOM 828 CA ILE B 56 1.694 5.248 -1.860 1.00 0.00 C ATOM 829 C ILE B 56 2.737 5.568 -2.915 1.00 0.00 C ATOM 830 O ILE B 56 2.417 5.656 -4.106 1.00 0.00 O ATOM 831 CB ILE B 56 1.628 3.735 -1.631 1.00 0.00 C ATOM 832 CG1 ILE B 56 0.373 3.393 -0.834 1.00 0.00 C ATOM 833 CG2 ILE B 56 2.869 3.260 -0.886 1.00 0.00 C ATOM 834 CD1 ILE B 56 0.034 1.929 -0.843 1.00 0.00 C ATOM 0 H ILE B 56 -0.035 5.243 -3.031 1.00 0.00 H new ATOM 0 HA ILE B 56 1.962 5.712 -0.911 1.00 0.00 H new ATOM 0 HB ILE B 56 1.589 3.229 -2.596 1.00 0.00 H new ATOM 0 HG12 ILE B 56 0.507 3.720 0.197 1.00 0.00 H new ATOM 0 HG13 ILE B 56 -0.469 3.955 -1.239 1.00 0.00 H new ATOM 0 HG21 ILE B 56 2.810 2.183 -0.730 1.00 0.00 H new ATOM 0 HG22 ILE B 56 3.757 3.493 -1.473 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.929 3.764 0.079 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -0.869 1.761 -0.257 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -0.133 1.601 -1.869 1.00 0.00 H new ATOM 0 HD13 ILE B 56 0.858 1.362 -0.410 1.00 0.00 H new ATOM 846 N PHE B 57 3.971 5.758 -2.484 1.00 0.00 N ATOM 847 CA PHE B 57 5.003 6.283 -3.366 1.00 0.00 C ATOM 848 C PHE B 57 6.252 5.420 -3.365 1.00 0.00 C ATOM 849 O PHE B 57 6.652 4.904 -2.325 1.00 0.00 O ATOM 850 CB PHE B 57 5.305 7.721 -2.948 1.00 0.00 C ATOM 851 CG PHE B 57 4.060 8.550 -3.017 1.00 0.00 C ATOM 852 CD1 PHE B 57 3.670 9.128 -4.210 1.00 0.00 C ATOM 853 CD2 PHE B 57 3.244 8.687 -1.911 1.00 0.00 C ATOM 854 CE1 PHE B 57 2.483 9.827 -4.302 1.00 0.00 C ATOM 855 CE2 PHE B 57 2.065 9.391 -1.994 1.00 0.00 C ATOM 856 CZ PHE B 57 1.679 9.957 -3.189 1.00 0.00 C ATOM 0 H PHE B 57 4.284 5.558 -1.534 1.00 0.00 H new ATOM 0 HA PHE B 57 4.640 6.269 -4.394 1.00 0.00 H new ATOM 0 HB2 PHE B 57 5.706 7.737 -1.934 1.00 0.00 H new ATOM 0 HB3 PHE B 57 6.069 8.144 -3.600 1.00 0.00 H new ATOM 0 HD1 PHE B 57 4.301 9.032 -5.081 1.00 0.00 H new ATOM 0 HD2 PHE B 57 3.534 8.237 -0.973 1.00 0.00 H new ATOM 0 HE1 PHE B 57 2.185 10.270 -5.241 1.00 0.00 H new ATOM 0 HE2 PHE B 57 1.440 9.500 -1.120 1.00 0.00 H new ATOM 0 HZ PHE B 57 0.749 10.502 -3.254 1.00 0.00 H new ATOM 866 N VAL B 58 6.864 5.259 -4.541 1.00 0.00 N ATOM 867 CA VAL B 58 8.071 4.480 -4.658 1.00 0.00 C ATOM 868 C VAL B 58 9.126 5.302 -5.373 1.00 0.00 C ATOM 869 O VAL B 58 8.836 5.982 -6.353 1.00 0.00 O ATOM 870 CB VAL B 58 7.840 3.141 -5.389 1.00 0.00 C ATOM 871 CG1 VAL B 58 7.528 3.349 -6.866 1.00 0.00 C ATOM 872 CG2 VAL B 58 9.047 2.236 -5.211 1.00 0.00 C ATOM 0 H VAL B 58 6.534 5.663 -5.418 1.00 0.00 H new ATOM 0 HA VAL B 58 8.410 4.230 -3.653 1.00 0.00 H new ATOM 0 HB VAL B 58 6.969 2.660 -4.944 1.00 0.00 H new ATOM 0 HG11 VAL B 58 7.372 2.382 -7.345 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.626 3.953 -6.966 1.00 0.00 H new ATOM 0 HG13 VAL B 58 8.362 3.861 -7.346 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.875 1.293 -5.730 1.00 0.00 H new ATOM 0 HG22 VAL B 58 9.930 2.722 -5.625 1.00 0.00 H new ATOM 0 HG23 VAL B 58 9.203 2.042 -4.150 1.00 0.00 H new ATOM 882 N ASN B 59 10.344 5.247 -4.854 1.00 0.00 N ATOM 883 CA ASN B 59 11.445 6.105 -5.299 1.00 0.00 C ATOM 884 C ASN B 59 11.089 7.561 -5.028 1.00 0.00 C ATOM 885 O ASN B 59 11.741 8.481 -5.519 1.00 0.00 O ATOM 886 CB ASN B 59 11.748 5.933 -6.792 1.00 0.00 C ATOM 887 CG ASN B 59 11.664 4.499 -7.270 1.00 0.00 C ATOM 888 OD1 ASN B 59 10.505 4.140 -7.790 1.00 0.00 O flip ATOM 889 ND2 ASN B 59 12.624 3.735 -7.188 1.00 0.00 N flip ATOM 0 H ASN B 59 10.603 4.603 -4.107 1.00 0.00 H new ATOM 0 HA ASN B 59 12.336 5.813 -4.742 1.00 0.00 H new ATOM 0 HB2 ASN B 59 11.049 6.540 -7.368 1.00 0.00 H new ATOM 0 HB3 ASN B 59 12.747 6.317 -6.997 1.00 0.00 H new ATOM 0 HD21 ASN B 59 13.500 4.059 -6.778 1.00 0.00 H new ATOM 0 HD22 ASN B 59 12.544 2.777 -7.530 1.00 0.00 H new ATOM 896 N GLY B 60 10.041 7.755 -4.237 1.00 0.00 N ATOM 897 CA GLY B 60 9.532 9.077 -3.991 1.00 0.00 C ATOM 898 C GLY B 60 8.434 9.459 -4.973 1.00 0.00 C ATOM 899 O GLY B 60 7.793 10.504 -4.843 1.00 0.00 O ATOM 0 H GLY B 60 9.535 7.008 -3.761 1.00 0.00 H new ATOM 0 HA2 GLY B 60 9.144 9.132 -2.974 1.00 0.00 H new ATOM 0 HA3 GLY B 60 10.347 9.798 -4.061 1.00 0.00 H new ATOM 903 N GLU B 61 8.219 8.587 -5.945 1.00 0.00 N ATOM 904 CA GLU B 61 7.245 8.789 -7.002 1.00 0.00 C ATOM 905 C GLU B 61 5.976 8.045 -6.662 1.00 0.00 C ATOM 906 O GLU B 61 5.952 7.329 -5.697 1.00 0.00 O ATOM 907 CB GLU B 61 7.805 8.241 -8.306 1.00 0.00 C ATOM 908 CG GLU B 61 8.617 9.245 -9.106 1.00 0.00 C ATOM 909 CD GLU B 61 9.283 8.618 -10.314 1.00 0.00 C ATOM 910 OE1 GLU B 61 8.563 8.188 -11.239 1.00 0.00 O1- ATOM 911 OE2 GLU B 61 10.531 8.546 -10.340 1.00 0.00 O ATOM 0 H GLU B 61 8.725 7.705 -6.022 1.00 0.00 H new ATOM 0 HA GLU B 61 7.032 9.853 -7.105 1.00 0.00 H new ATOM 0 HB2 GLU B 61 8.432 7.378 -8.085 1.00 0.00 H new ATOM 0 HB3 GLU B 61 6.979 7.885 -8.922 1.00 0.00 H new ATOM 0 HG2 GLU B 61 7.966 10.056 -9.433 1.00 0.00 H new ATOM 0 HG3 GLU B 61 9.378 9.687 -8.463 1.00 0.00 H new ATOM 918 N LYS B 62 4.934 8.179 -7.454 1.00 0.00 N ATOM 919 CA LYS B 62 3.720 7.404 -7.220 1.00 0.00 C ATOM 920 C LYS B 62 4.015 5.909 -7.380 1.00 0.00 C ATOM 921 O LYS B 62 5.054 5.528 -7.920 1.00 0.00 O ATOM 922 CB LYS B 62 2.617 7.844 -8.193 1.00 0.00 C ATOM 923 CG LYS B 62 1.257 7.231 -7.901 1.00 0.00 C ATOM 924 CD LYS B 62 0.622 7.860 -6.675 1.00 0.00 C ATOM 925 CE LYS B 62 0.230 9.304 -6.936 1.00 0.00 C ATOM 926 NZ LYS B 62 -0.893 9.407 -7.905 1.00 0.00 N1+ ATOM 0 H LYS B 62 4.895 8.807 -8.257 1.00 0.00 H new ATOM 0 HA LYS B 62 3.373 7.583 -6.202 1.00 0.00 H new ATOM 0 HB2 LYS B 62 2.530 8.930 -8.160 1.00 0.00 H new ATOM 0 HB3 LYS B 62 2.914 7.578 -9.208 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.602 7.366 -8.762 1.00 0.00 H new ATOM 0 HG3 LYS B 62 1.365 6.157 -7.747 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.260 7.288 -6.386 1.00 0.00 H new ATOM 0 HD3 LYS B 62 1.319 7.816 -5.838 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -0.056 9.778 -5.997 1.00 0.00 H new ATOM 0 HE3 LYS B 62 1.092 9.851 -7.319 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 -1.414 10.292 -7.739 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -0.516 9.403 -8.874 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -1.535 8.598 -7.780 1.00 0.00 H new ATOM 940 N VAL B 63 3.152 5.072 -6.826 1.00 0.00 N ATOM 941 CA VAL B 63 3.169 3.649 -7.134 1.00 0.00 C ATOM 942 C VAL B 63 1.769 3.061 -6.982 1.00 0.00 C ATOM 943 O VAL B 63 1.473 1.986 -7.505 1.00 0.00 O ATOM 944 CB VAL B 63 4.163 2.868 -6.236 1.00 0.00 C ATOM 945 CG1 VAL B 63 3.685 2.805 -4.793 1.00 0.00 C ATOM 946 CG2 VAL B 63 4.405 1.468 -6.783 1.00 0.00 C ATOM 0 H VAL B 63 2.431 5.352 -6.161 1.00 0.00 H new ATOM 0 HA VAL B 63 3.503 3.547 -8.166 1.00 0.00 H new ATOM 0 HB VAL B 63 5.108 3.411 -6.248 1.00 0.00 H new ATOM 0 HG11 VAL B 63 4.407 2.250 -4.194 1.00 0.00 H new ATOM 0 HG12 VAL B 63 3.587 3.816 -4.398 1.00 0.00 H new ATOM 0 HG13 VAL B 63 2.718 2.304 -4.752 1.00 0.00 H new ATOM 0 HG21 VAL B 63 5.106 0.941 -6.136 1.00 0.00 H new ATOM 0 HG22 VAL B 63 3.462 0.923 -6.818 1.00 0.00 H new ATOM 0 HG23 VAL B 63 4.821 1.537 -7.788 1.00 0.00 H new ATOM 956 N TYR B 64 0.895 3.790 -6.295 1.00 0.00 N ATOM 957 CA TYR B 64 -0.409 3.259 -5.935 1.00 0.00 C ATOM 958 C TYR B 64 -1.359 4.397 -5.577 1.00 0.00 C ATOM 959 O TYR B 64 -1.049 5.234 -4.730 1.00 0.00 O ATOM 960 CB TYR B 64 -0.228 2.314 -4.748 1.00 0.00 C ATOM 961 CG TYR B 64 -1.334 1.312 -4.494 1.00 0.00 C ATOM 962 CD1 TYR B 64 -2.558 1.380 -5.142 1.00 0.00 C ATOM 963 CD2 TYR B 64 -1.148 0.302 -3.557 1.00 0.00 C ATOM 964 CE1 TYR B 64 -3.564 0.475 -4.854 1.00 0.00 C ATOM 965 CE2 TYR B 64 -2.142 -0.608 -3.275 1.00 0.00 C ATOM 966 CZ TYR B 64 -3.350 -0.515 -3.920 1.00 0.00 C ATOM 967 OH TYR B 64 -4.352 -1.404 -3.621 1.00 0.00 O ATOM 0 H TYR B 64 1.067 4.744 -5.979 1.00 0.00 H new ATOM 0 HA TYR B 64 -0.841 2.716 -6.776 1.00 0.00 H new ATOM 0 HB2 TYR B 64 0.702 1.764 -4.892 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -0.105 2.918 -3.849 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -2.728 2.149 -5.881 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -0.203 0.230 -3.039 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -4.515 0.544 -5.360 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -1.972 -1.391 -2.550 1.00 0.00 H new ATOM 0 HH TYR B 64 -4.138 -1.869 -2.786 1.00 0.00 H new ATOM 977 N THR B 65 -2.497 4.422 -6.240 1.00 0.00 N ATOM 978 CA THR B 65 -3.524 5.435 -6.005 1.00 0.00 C ATOM 979 C THR B 65 -4.881 4.760 -5.838 1.00 0.00 C ATOM 980 O THR B 65 -5.261 3.932 -6.666 1.00 0.00 O ATOM 981 CB THR B 65 -3.605 6.434 -7.177 1.00 0.00 C ATOM 982 OG1 THR B 65 -2.299 6.938 -7.493 1.00 0.00 O ATOM 983 CG2 THR B 65 -4.529 7.594 -6.839 1.00 0.00 C ATOM 0 H THR B 65 -2.743 3.742 -6.960 1.00 0.00 H new ATOM 0 HA THR B 65 -3.256 5.980 -5.100 1.00 0.00 H new ATOM 0 HB THR B 65 -4.008 5.906 -8.041 1.00 0.00 H new ATOM 0 HG1 THR B 65 -2.206 7.018 -8.465 1.00 0.00 H new ATOM 0 HG21 THR B 65 -4.569 8.285 -7.681 1.00 0.00 H new ATOM 0 HG22 THR B 65 -5.530 7.214 -6.633 1.00 0.00 H new ATOM 0 HG23 THR B 65 -4.151 8.116 -5.960 1.00 0.00 H new ATOM 991 N PHE B 66 -5.608 5.095 -4.772 1.00 0.00 N ATOM 992 CA PHE B 66 -6.863 4.433 -4.490 1.00 0.00 C ATOM 993 C PHE B 66 -7.668 5.144 -3.423 1.00 0.00 C ATOM 994 O PHE B 66 -7.141 5.869 -2.577 1.00 0.00 O ATOM 995 CB PHE B 66 -6.619 2.990 -4.062 1.00 0.00 C ATOM 996 CG PHE B 66 -5.630 2.807 -2.957 1.00 0.00 C ATOM 997 CD1 PHE B 66 -4.281 2.972 -3.179 1.00 0.00 C ATOM 998 CD2 PHE B 66 -6.057 2.424 -1.712 1.00 0.00 C ATOM 999 CE1 PHE B 66 -3.366 2.758 -2.177 1.00 0.00 C ATOM 1000 CE2 PHE B 66 -5.151 2.203 -0.692 1.00 0.00 C ATOM 1001 CZ PHE B 66 -3.799 2.367 -0.928 1.00 0.00 C ATOM 0 H PHE B 66 -5.345 5.816 -4.100 1.00 0.00 H new ATOM 0 HA PHE B 66 -7.442 4.455 -5.413 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -7.569 2.555 -3.752 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -6.278 2.425 -4.929 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -3.937 3.275 -4.157 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -7.113 2.294 -1.526 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -2.312 2.896 -2.367 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -5.498 1.903 0.286 1.00 0.00 H new ATOM 0 HZ PHE B 66 -3.085 2.190 -0.137 1.00 0.00 H new ATOM 1011 N ASN B 67 -8.958 4.934 -3.525 1.00 0.00 N ATOM 1012 CA ASN B 67 -9.923 5.359 -2.528 1.00 0.00 C ATOM 1013 C ASN B 67 -10.287 4.161 -1.645 1.00 0.00 C ATOM 1014 O ASN B 67 -10.203 3.021 -2.100 1.00 0.00 O ATOM 1015 CB ASN B 67 -11.172 5.906 -3.231 1.00 0.00 C ATOM 1016 CG ASN B 67 -12.115 6.645 -2.303 1.00 0.00 C ATOM 1017 OD1 ASN B 67 -12.982 6.044 -1.669 1.00 0.00 O ATOM 1018 ND2 ASN B 67 -11.971 7.959 -2.244 1.00 0.00 N ATOM 0 H ASN B 67 -9.380 4.453 -4.319 1.00 0.00 H new ATOM 0 HA ASN B 67 -9.499 6.146 -1.904 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -10.863 6.578 -4.032 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -11.708 5.079 -3.697 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -12.593 8.514 -1.656 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -11.238 8.417 -2.786 1.00 0.00 H new ATOM 1025 N GLU B 68 -10.689 4.402 -0.405 1.00 0.00 N ATOM 1026 CA GLU B 68 -10.976 3.310 0.530 1.00 0.00 C ATOM 1027 C GLU B 68 -12.128 2.431 0.028 1.00 0.00 C ATOM 1028 O GLU B 68 -12.042 1.200 0.054 1.00 0.00 O ATOM 1029 CB GLU B 68 -11.307 3.881 1.906 1.00 0.00 C ATOM 1030 CG GLU B 68 -10.200 4.746 2.488 1.00 0.00 C ATOM 1031 CD GLU B 68 -9.014 3.950 2.999 1.00 0.00 C ATOM 1032 OE1 GLU B 68 -8.197 3.478 2.184 1.00 0.00 O ATOM 1033 OE2 GLU B 68 -8.885 3.802 4.236 1.00 0.00 O1- ATOM 0 H GLU B 68 -10.825 5.337 -0.019 1.00 0.00 H new ATOM 0 HA GLU B 68 -10.088 2.682 0.603 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -12.220 4.473 1.835 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -11.513 3.059 2.591 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -9.857 5.445 1.725 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -10.607 5.341 3.305 1.00 0.00 H new ATOM 1040 N LYS B 69 -13.195 3.078 -0.431 1.00 0.00 N ATOM 1041 CA LYS B 69 -14.368 2.405 -0.989 1.00 0.00 C ATOM 1042 C LYS B 69 -14.025 1.653 -2.275 1.00 0.00 C ATOM 1043 O LYS B 69 -14.731 0.724 -2.672 1.00 0.00 O ATOM 1044 CB LYS B 69 -15.461 3.436 -1.270 1.00 0.00 C ATOM 1045 CG LYS B 69 -16.795 2.829 -1.667 1.00 0.00 C ATOM 1046 CD LYS B 69 -17.845 3.902 -1.884 1.00 0.00 C ATOM 1047 CE LYS B 69 -19.193 3.298 -2.243 1.00 0.00 C ATOM 1048 NZ LYS B 69 -20.226 4.343 -2.467 1.00 0.00 N1+ ATOM 0 H LYS B 69 -13.272 4.095 -0.427 1.00 0.00 H new ATOM 0 HA LYS B 69 -14.721 1.676 -0.259 1.00 0.00 H new ATOM 0 HB2 LYS B 69 -15.603 4.051 -0.381 1.00 0.00 H new ATOM 0 HB3 LYS B 69 -15.124 4.100 -2.066 1.00 0.00 H new ATOM 0 HG2 LYS B 69 -16.674 2.245 -2.580 1.00 0.00 H new ATOM 0 HG3 LYS B 69 -17.130 2.141 -0.890 1.00 0.00 H new ATOM 0 HD2 LYS B 69 -17.944 4.504 -0.981 1.00 0.00 H new ATOM 0 HD3 LYS B 69 -17.522 4.573 -2.680 1.00 0.00 H new ATOM 0 HE2 LYS B 69 -19.091 2.690 -3.142 1.00 0.00 H new ATOM 0 HE3 LYS B 69 -19.517 2.632 -1.443 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 -21.131 3.891 -2.709 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 -20.342 4.907 -1.601 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 -19.929 4.963 -3.247 1.00 0.00 H new ATOM 1062 N SER B 70 -12.944 2.059 -2.927 1.00 0.00 N ATOM 1063 CA SER B 70 -12.438 1.344 -4.090 1.00 0.00 C ATOM 1064 C SER B 70 -11.867 -0.005 -3.642 1.00 0.00 C ATOM 1065 O SER B 70 -11.689 -0.915 -4.449 1.00 0.00 O ATOM 1066 CB SER B 70 -11.382 2.202 -4.807 1.00 0.00 C ATOM 1067 OG SER B 70 -10.568 1.430 -5.670 1.00 0.00 O ATOM 0 H SER B 70 -12.400 2.882 -2.669 1.00 0.00 H new ATOM 0 HA SER B 70 -13.244 1.153 -4.798 1.00 0.00 H new ATOM 0 HB2 SER B 70 -11.879 2.984 -5.381 1.00 0.00 H new ATOM 0 HB3 SER B 70 -10.756 2.699 -4.067 1.00 0.00 H new ATOM 0 HG SER B 70 -9.912 2.011 -6.107 1.00 0.00 H new ATOM 1073 N THR B 71 -11.620 -0.108 -2.335 1.00 0.00 N ATOM 1074 CA THR B 71 -11.226 -1.329 -1.659 1.00 0.00 C ATOM 1075 C THR B 71 -9.931 -1.919 -2.206 1.00 0.00 C ATOM 1076 O THR B 71 -9.885 -2.504 -3.292 1.00 0.00 O ATOM 1077 CB THR B 71 -12.360 -2.368 -1.651 1.00 0.00 C ATOM 1078 OG1 THR B 71 -12.593 -2.901 -2.961 1.00 0.00 O ATOM 1079 CG2 THR B 71 -13.641 -1.743 -1.126 1.00 0.00 C ATOM 0 H THR B 71 -11.694 0.689 -1.703 1.00 0.00 H new ATOM 0 HA THR B 71 -11.025 -1.051 -0.625 1.00 0.00 H new ATOM 0 HB THR B 71 -12.054 -3.184 -0.997 1.00 0.00 H new ATOM 0 HG1 THR B 71 -11.997 -2.462 -3.603 1.00 0.00 H new ATOM 0 HG21 THR B 71 -14.436 -2.489 -1.125 1.00 0.00 H new ATOM 0 HG22 THR B 71 -13.480 -1.383 -0.110 1.00 0.00 H new ATOM 0 HG23 THR B 71 -13.927 -0.908 -1.766 1.00 0.00 H new ATOM 1087 N VAL B 72 -8.887 -1.790 -1.395 1.00 0.00 N ATOM 1088 CA VAL B 72 -7.522 -2.110 -1.797 1.00 0.00 C ATOM 1089 C VAL B 72 -7.368 -3.562 -2.255 1.00 0.00 C ATOM 1090 O VAL B 72 -6.401 -3.891 -2.927 1.00 0.00 O ATOM 1091 CB VAL B 72 -6.531 -1.823 -0.646 1.00 0.00 C ATOM 1092 CG1 VAL B 72 -6.887 -0.521 0.050 1.00 0.00 C ATOM 1093 CG2 VAL B 72 -6.489 -2.973 0.348 1.00 0.00 C ATOM 0 H VAL B 72 -8.964 -1.458 -0.434 1.00 0.00 H new ATOM 0 HA VAL B 72 -7.293 -1.468 -2.648 1.00 0.00 H new ATOM 0 HB VAL B 72 -5.535 -1.724 -1.077 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -6.179 -0.335 0.858 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -6.843 0.299 -0.667 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -7.895 -0.591 0.460 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -5.783 -2.740 1.145 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -7.481 -3.122 0.774 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -6.173 -3.883 -0.162 1.00 0.00 H new ATOM 1103 N GLY B 73 -8.322 -4.418 -1.903 1.00 0.00 N ATOM 1104 CA GLY B 73 -8.248 -5.818 -2.288 1.00 0.00 C ATOM 1105 C GLY B 73 -8.173 -6.008 -3.790 1.00 0.00 C ATOM 1106 O GLY B 73 -7.305 -6.722 -4.297 1.00 0.00 O ATOM 0 H GLY B 73 -9.147 -4.168 -1.357 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -7.373 -6.272 -1.824 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -9.122 -6.343 -1.903 1.00 0.00 H new ATOM 1110 N ASN B 74 -9.069 -5.341 -4.502 1.00 0.00 N ATOM 1111 CA ASN B 74 -9.128 -5.450 -5.955 1.00 0.00 C ATOM 1112 C ASN B 74 -7.982 -4.680 -6.585 1.00 0.00 C ATOM 1113 O ASN B 74 -7.424 -5.080 -7.608 1.00 0.00 O ATOM 1114 CB ASN B 74 -10.456 -4.899 -6.483 1.00 0.00 C ATOM 1115 CG ASN B 74 -11.660 -5.622 -5.947 1.00 0.00 C ATOM 1116 OD1 ASN B 74 -11.623 -6.818 -5.671 1.00 0.00 O ATOM 1117 ND2 ASN B 74 -12.737 -4.883 -5.784 1.00 0.00 N ATOM 0 H ASN B 74 -9.767 -4.717 -4.098 1.00 0.00 H new ATOM 0 HA ASN B 74 -9.048 -6.504 -6.220 1.00 0.00 H new ATOM 0 HB2 ASN B 74 -10.531 -3.843 -6.224 1.00 0.00 H new ATOM 0 HB3 ASN B 74 -10.459 -4.961 -7.571 1.00 0.00 H new ATOM 0 HD21 ASN B 74 -13.591 -5.300 -5.413 1.00 0.00 H new ATOM 0 HD22 ASN B 74 -12.718 -3.893 -6.028 1.00 0.00 H new ATOM 1124 N ILE B 75 -7.626 -3.581 -5.944 1.00 0.00 N ATOM 1125 CA ILE B 75 -6.644 -2.657 -6.493 1.00 0.00 C ATOM 1126 C ILE B 75 -5.238 -3.219 -6.373 1.00 0.00 C ATOM 1127 O ILE B 75 -4.470 -3.207 -7.330 1.00 0.00 O ATOM 1128 CB ILE B 75 -6.669 -1.302 -5.771 1.00 0.00 C ATOM 1129 CG1 ILE B 75 -8.064 -0.972 -5.247 1.00 0.00 C ATOM 1130 CG2 ILE B 75 -6.197 -0.216 -6.724 1.00 0.00 C ATOM 1131 CD1 ILE B 75 -8.083 0.241 -4.370 1.00 0.00 C ATOM 0 H ILE B 75 -8.003 -3.304 -5.038 1.00 0.00 H new ATOM 0 HA ILE B 75 -6.910 -2.519 -7.541 1.00 0.00 H new ATOM 0 HB ILE B 75 -6.000 -1.357 -4.912 1.00 0.00 H new ATOM 0 HG12 ILE B 75 -8.736 -0.815 -6.091 1.00 0.00 H new ATOM 0 HG13 ILE B 75 -8.448 -1.825 -4.688 1.00 0.00 H new ATOM 0 HG21 ILE B 75 -6.214 0.747 -6.215 1.00 0.00 H new ATOM 0 HG22 ILE B 75 -5.181 -0.436 -7.052 1.00 0.00 H new ATOM 0 HG23 ILE B 75 -6.858 -0.180 -7.590 1.00 0.00 H new ATOM 0 HD11 ILE B 75 -9.101 0.426 -4.027 1.00 0.00 H new ATOM 0 HD12 ILE B 75 -7.435 0.078 -3.509 1.00 0.00 H new ATOM 0 HD13 ILE B 75 -7.727 1.103 -4.934 1.00 0.00 H new ATOM 1143 N SER B 76 -4.920 -3.696 -5.176 1.00 0.00 N ATOM 1144 CA SER B 76 -3.598 -4.242 -4.855 1.00 0.00 C ATOM 1145 C SER B 76 -3.183 -5.266 -5.883 1.00 0.00 C ATOM 1146 O SER B 76 -2.071 -5.239 -6.403 1.00 0.00 O ATOM 1147 CB SER B 76 -3.631 -4.896 -3.476 1.00 0.00 C ATOM 1148 OG SER B 76 -4.595 -5.934 -3.424 1.00 0.00 O ATOM 0 H SER B 76 -5.573 -3.717 -4.393 1.00 0.00 H new ATOM 0 HA SER B 76 -2.877 -3.425 -4.859 1.00 0.00 H new ATOM 0 HB2 SER B 76 -2.646 -5.298 -3.238 1.00 0.00 H new ATOM 0 HB3 SER B 76 -3.860 -4.145 -2.720 1.00 0.00 H new ATOM 0 HG SER B 76 -5.478 -5.551 -3.241 1.00 0.00 H new ATOM 1154 N ASN B 77 -4.109 -6.164 -6.140 1.00 0.00 N ATOM 1155 CA ASN B 77 -3.988 -7.171 -7.188 1.00 0.00 C ATOM 1156 C ASN B 77 -3.389 -6.577 -8.457 1.00 0.00 C ATOM 1157 O ASN B 77 -2.407 -7.084 -9.006 1.00 0.00 O ATOM 1158 CB ASN B 77 -5.375 -7.705 -7.507 1.00 0.00 C ATOM 1159 CG ASN B 77 -5.350 -9.016 -8.269 1.00 0.00 C ATOM 1160 OD1 ASN B 77 -4.420 -9.810 -8.131 1.00 0.00 O ATOM 1161 ND2 ASN B 77 -6.374 -9.256 -9.073 1.00 0.00 N ATOM 0 H ASN B 77 -4.985 -6.221 -5.621 1.00 0.00 H new ATOM 0 HA ASN B 77 -3.331 -7.966 -6.835 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -5.927 -7.843 -6.577 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -5.917 -6.962 -8.092 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -6.411 -10.125 -9.606 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -7.126 -8.572 -9.160 1.00 0.00 H new ATOM 1168 N ASP B 78 -3.996 -5.493 -8.905 1.00 0.00 N ATOM 1169 CA ASP B 78 -3.564 -4.810 -10.125 1.00 0.00 C ATOM 1170 C ASP B 78 -2.271 -4.022 -9.925 1.00 0.00 C ATOM 1171 O ASP B 78 -1.511 -3.827 -10.865 1.00 0.00 O ATOM 1172 CB ASP B 78 -4.659 -3.880 -10.647 1.00 0.00 C ATOM 1173 CG ASP B 78 -5.757 -4.634 -11.367 1.00 0.00 C ATOM 1174 OD1 ASP B 78 -5.457 -5.339 -12.357 1.00 0.00 O1- ATOM 1175 OD2 ASP B 78 -6.926 -4.549 -10.938 1.00 0.00 O ATOM 0 H ASP B 78 -4.795 -5.059 -8.443 1.00 0.00 H new ATOM 0 HA ASP B 78 -3.369 -5.588 -10.863 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -5.089 -3.324 -9.813 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -4.219 -3.148 -11.325 1.00 0.00 H new ATOM 1180 N ILE B 79 -2.028 -3.554 -8.715 1.00 0.00 N ATOM 1181 CA ILE B 79 -0.797 -2.841 -8.407 1.00 0.00 C ATOM 1182 C ILE B 79 0.396 -3.789 -8.376 1.00 0.00 C ATOM 1183 O ILE B 79 1.485 -3.455 -8.836 1.00 0.00 O ATOM 1184 CB ILE B 79 -0.925 -2.110 -7.079 1.00 0.00 C ATOM 1185 CG1 ILE B 79 -2.083 -1.143 -7.196 1.00 0.00 C ATOM 1186 CG2 ILE B 79 0.363 -1.376 -6.719 1.00 0.00 C ATOM 1187 CD1 ILE B 79 -1.895 -0.066 -8.247 1.00 0.00 C ATOM 0 H ILE B 79 -2.667 -3.654 -7.926 1.00 0.00 H new ATOM 0 HA ILE B 79 -0.627 -2.109 -9.197 1.00 0.00 H new ATOM 0 HB ILE B 79 -1.108 -2.827 -6.279 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -2.988 -1.705 -7.427 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -2.242 -0.666 -6.229 1.00 0.00 H new ATOM 0 HG21 ILE B 79 0.236 -0.865 -5.765 1.00 0.00 H new ATOM 0 HG22 ILE B 79 1.181 -2.093 -6.641 1.00 0.00 H new ATOM 0 HG23 ILE B 79 0.594 -0.645 -7.494 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -2.771 0.583 -8.264 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -1.010 0.525 -8.009 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -1.768 -0.530 -9.225 1.00 0.00 H new ATOM 1199 N ASN B 80 0.173 -4.986 -7.852 1.00 0.00 N ATOM 1200 CA ASN B 80 1.237 -5.980 -7.721 1.00 0.00 C ATOM 1201 C ASN B 80 1.782 -6.393 -9.083 1.00 0.00 C ATOM 1202 O ASN B 80 2.955 -6.744 -9.207 1.00 0.00 O ATOM 1203 CB ASN B 80 0.749 -7.225 -6.968 1.00 0.00 C ATOM 1204 CG ASN B 80 0.327 -6.939 -5.538 1.00 0.00 C ATOM 1205 OD1 ASN B 80 -0.466 -7.678 -4.954 1.00 0.00 O ATOM 1206 ND2 ASN B 80 0.840 -5.863 -4.963 1.00 0.00 N ATOM 0 H ASN B 80 -0.736 -5.296 -7.509 1.00 0.00 H new ATOM 0 HA ASN B 80 2.037 -5.512 -7.148 1.00 0.00 H new ATOM 0 HB2 ASN B 80 -0.093 -7.660 -7.507 1.00 0.00 H new ATOM 0 HB3 ASN B 80 1.543 -7.971 -6.962 1.00 0.00 H new ATOM 0 HD21 ASN B 80 0.581 -5.624 -4.006 1.00 0.00 H new ATOM 0 HD22 ASN B 80 1.494 -5.273 -5.477 1.00 0.00 H new ATOM 1213 N LYS B 81 0.940 -6.315 -10.107 1.00 0.00 N ATOM 1214 CA LYS B 81 1.311 -6.779 -11.440 1.00 0.00 C ATOM 1215 C LYS B 81 2.135 -5.730 -12.188 1.00 0.00 C ATOM 1216 O LYS B 81 2.488 -5.928 -13.347 1.00 0.00 O ATOM 1217 CB LYS B 81 0.056 -7.123 -12.251 1.00 0.00 C ATOM 1218 CG LYS B 81 -0.697 -5.901 -12.733 1.00 0.00 C ATOM 1219 CD LYS B 81 -1.976 -6.258 -13.465 1.00 0.00 C ATOM 1220 CE LYS B 81 -2.645 -5.012 -14.023 1.00 0.00 C ATOM 1221 NZ LYS B 81 -3.978 -5.306 -14.610 1.00 0.00 N1+ ATOM 0 H LYS B 81 -0.004 -5.935 -10.040 1.00 0.00 H new ATOM 0 HA LYS B 81 1.923 -7.673 -11.320 1.00 0.00 H new ATOM 0 HB2 LYS B 81 0.342 -7.728 -13.111 1.00 0.00 H new ATOM 0 HB3 LYS B 81 -0.608 -7.733 -11.639 1.00 0.00 H new ATOM 0 HG2 LYS B 81 -0.936 -5.266 -11.880 1.00 0.00 H new ATOM 0 HG3 LYS B 81 -0.054 -5.319 -13.394 1.00 0.00 H new ATOM 0 HD2 LYS B 81 -1.754 -6.951 -14.276 1.00 0.00 H new ATOM 0 HD3 LYS B 81 -2.658 -6.769 -12.786 1.00 0.00 H new ATOM 0 HE2 LYS B 81 -2.755 -4.274 -13.229 1.00 0.00 H new ATOM 0 HE3 LYS B 81 -2.004 -4.568 -14.785 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 -4.330 -4.465 -15.111 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 -3.896 -6.099 -15.278 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 -4.643 -5.560 -13.852 1.00 0.00 H new ATOM 1235 N LEU B 82 2.448 -4.621 -11.527 1.00 0.00 N ATOM 1236 CA LEU B 82 3.186 -3.534 -12.169 1.00 0.00 C ATOM 1237 C LEU B 82 4.683 -3.787 -12.109 1.00 0.00 C ATOM 1238 O LEU B 82 5.483 -2.951 -12.545 1.00 0.00 O ATOM 1239 CB LEU B 82 2.887 -2.191 -11.493 1.00 0.00 C ATOM 1240 CG LEU B 82 1.415 -1.827 -11.361 1.00 0.00 C ATOM 1241 CD1 LEU B 82 1.267 -0.414 -10.818 1.00 0.00 C ATOM 1242 CD2 LEU B 82 0.692 -1.973 -12.691 1.00 0.00 C ATOM 0 H LEU B 82 2.205 -4.449 -10.551 1.00 0.00 H new ATOM 0 HA LEU B 82 2.863 -3.496 -13.209 1.00 0.00 H new ATOM 0 HB2 LEU B 82 3.330 -2.201 -10.497 1.00 0.00 H new ATOM 0 HB3 LEU B 82 3.387 -1.403 -12.056 1.00 0.00 H new ATOM 0 HG LEU B 82 0.955 -2.520 -10.656 1.00 0.00 H new ATOM 0 HD11 LEU B 82 0.209 -0.167 -10.729 1.00 0.00 H new ATOM 0 HD12 LEU B 82 1.738 -0.350 -9.837 1.00 0.00 H new ATOM 0 HD13 LEU B 82 1.747 0.289 -11.498 1.00 0.00 H new ATOM 0 HD21 LEU B 82 -0.357 -1.706 -12.566 1.00 0.00 H new ATOM 0 HD22 LEU B 82 1.149 -1.312 -13.428 1.00 0.00 H new ATOM 0 HD23 LEU B 82 0.766 -3.005 -13.034 1.00 0.00 H new ATOM 1254 N ASN B 83 5.046 -4.952 -11.576 1.00 0.00 N ATOM 1255 CA ASN B 83 6.429 -5.263 -11.252 1.00 0.00 C ATOM 1256 C ASN B 83 6.980 -4.163 -10.352 1.00 0.00 C ATOM 1257 O ASN B 83 7.954 -3.488 -10.687 1.00 0.00 O ATOM 1258 CB ASN B 83 7.269 -5.423 -12.523 1.00 0.00 C ATOM 1259 CG ASN B 83 8.684 -5.893 -12.235 1.00 0.00 C ATOM 1260 OD1 ASN B 83 8.930 -6.588 -11.249 1.00 0.00 O ATOM 1261 ND2 ASN B 83 9.621 -5.532 -13.098 1.00 0.00 N ATOM 0 H ASN B 83 4.389 -5.702 -11.359 1.00 0.00 H new ATOM 0 HA ASN B 83 6.476 -6.215 -10.723 1.00 0.00 H new ATOM 0 HB2 ASN B 83 6.782 -6.136 -13.188 1.00 0.00 H new ATOM 0 HB3 ASN B 83 7.307 -4.470 -13.051 1.00 0.00 H new ATOM 0 HD21 ASN B 83 10.586 -5.831 -12.957 1.00 0.00 H new ATOM 0 HD22 ASN B 83 9.378 -4.955 -13.903 1.00 0.00 H new ATOM 1268 N ILE B 84 6.306 -3.979 -9.216 1.00 0.00 N ATOM 1269 CA ILE B 84 6.599 -2.894 -8.288 1.00 0.00 C ATOM 1270 C ILE B 84 8.080 -2.857 -7.910 1.00 0.00 C ATOM 1271 O ILE B 84 8.757 -3.884 -7.881 1.00 0.00 O ATOM 1272 CB ILE B 84 5.755 -3.041 -7.011 1.00 0.00 C ATOM 1273 CG1 ILE B 84 4.287 -3.063 -7.376 1.00 0.00 C ATOM 1274 CG2 ILE B 84 6.024 -1.901 -6.034 1.00 0.00 C ATOM 1275 CD1 ILE B 84 3.410 -3.569 -6.259 1.00 0.00 C ATOM 0 H ILE B 84 5.540 -4.582 -8.916 1.00 0.00 H new ATOM 0 HA ILE B 84 6.349 -1.961 -8.792 1.00 0.00 H new ATOM 0 HB ILE B 84 6.032 -3.976 -6.524 1.00 0.00 H new ATOM 0 HG12 ILE B 84 3.971 -2.057 -7.651 1.00 0.00 H new ATOM 0 HG13 ILE B 84 4.146 -3.692 -8.255 1.00 0.00 H new ATOM 0 HG21 ILE B 84 5.412 -2.034 -5.142 1.00 0.00 H new ATOM 0 HG22 ILE B 84 7.078 -1.902 -5.755 1.00 0.00 H new ATOM 0 HG23 ILE B 84 5.775 -0.951 -6.506 1.00 0.00 H new ATOM 0 HD11 ILE B 84 2.369 -3.561 -6.582 1.00 0.00 H new ATOM 0 HD12 ILE B 84 3.702 -4.587 -6.000 1.00 0.00 H new ATOM 0 HD13 ILE B 84 3.524 -2.926 -5.387 1.00 0.00 H new ATOM 1287 N LYS B 85 8.569 -1.667 -7.625 1.00 0.00 N ATOM 1288 CA LYS B 85 9.959 -1.486 -7.241 1.00 0.00 C ATOM 1289 C LYS B 85 10.064 -1.130 -5.766 1.00 0.00 C ATOM 1290 O LYS B 85 9.051 -0.944 -5.094 1.00 0.00 O ATOM 1291 CB LYS B 85 10.598 -0.390 -8.091 1.00 0.00 C ATOM 1292 CG LYS B 85 10.475 -0.646 -9.582 1.00 0.00 C ATOM 1293 CD LYS B 85 11.322 0.322 -10.393 1.00 0.00 C ATOM 1294 CE LYS B 85 12.808 0.099 -10.160 1.00 0.00 C ATOM 1295 NZ LYS B 85 13.640 1.030 -10.962 1.00 0.00 N1+ ATOM 0 H LYS B 85 8.023 -0.806 -7.652 1.00 0.00 H new ATOM 0 HA LYS B 85 10.490 -2.423 -7.410 1.00 0.00 H new ATOM 0 HB2 LYS B 85 10.131 0.565 -7.853 1.00 0.00 H new ATOM 0 HB3 LYS B 85 11.652 -0.303 -7.829 1.00 0.00 H new ATOM 0 HG2 LYS B 85 10.781 -1.669 -9.802 1.00 0.00 H new ATOM 0 HG3 LYS B 85 9.431 -0.554 -9.882 1.00 0.00 H new ATOM 0 HD2 LYS B 85 11.098 0.202 -11.453 1.00 0.00 H new ATOM 0 HD3 LYS B 85 11.061 1.346 -10.126 1.00 0.00 H new ATOM 0 HE2 LYS B 85 13.033 0.231 -9.102 1.00 0.00 H new ATOM 0 HE3 LYS B 85 13.065 -0.929 -10.415 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 14.646 0.846 -10.775 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 13.444 0.887 -11.973 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 13.413 2.011 -10.701 1.00 0.00 H new ATOM 1309 N GLY B 86 11.288 -1.036 -5.267 1.00 0.00 N ATOM 1310 CA GLY B 86 11.487 -0.682 -3.880 1.00 0.00 C ATOM 1311 C GLY B 86 12.683 0.227 -3.680 1.00 0.00 C ATOM 1312 O GLY B 86 13.817 -0.188 -3.889 1.00 0.00 O ATOM 0 H GLY B 86 12.144 -1.198 -5.798 1.00 0.00 H new ATOM 0 HA2 GLY B 86 10.592 -0.188 -3.502 1.00 0.00 H new ATOM 0 HA3 GLY B 86 11.622 -1.590 -3.292 1.00 0.00 H new ATOM 1316 N MET B 87 12.436 1.472 -3.276 1.00 0.00 N ATOM 1317 CA MET B 87 13.501 2.390 -2.964 1.00 0.00 C ATOM 1318 C MET B 87 13.089 3.326 -1.820 1.00 0.00 C ATOM 1319 O MET B 87 13.430 3.081 -0.667 1.00 0.00 O ATOM 1320 CB MET B 87 13.863 3.169 -4.222 1.00 0.00 C ATOM 1321 CG MET B 87 14.604 4.454 -3.962 1.00 0.00 C ATOM 1322 SD MET B 87 16.402 4.276 -3.925 1.00 0.00 S ATOM 1323 CE MET B 87 16.655 3.433 -2.364 1.00 0.00 C ATOM 0 H MET B 87 11.499 1.858 -3.160 1.00 0.00 H new ATOM 0 HA MET B 87 14.378 1.839 -2.626 1.00 0.00 H new ATOM 0 HB2 MET B 87 14.473 2.535 -4.865 1.00 0.00 H new ATOM 0 HB3 MET B 87 12.949 3.395 -4.771 1.00 0.00 H new ATOM 0 HG2 MET B 87 14.337 5.177 -4.733 1.00 0.00 H new ATOM 0 HG3 MET B 87 14.271 4.866 -3.010 1.00 0.00 H new ATOM 0 HE1 MET B 87 17.632 3.699 -1.961 1.00 0.00 H new ATOM 0 HE2 MET B 87 15.878 3.731 -1.660 1.00 0.00 H new ATOM 0 HE3 MET B 87 16.609 2.355 -2.521 1.00 0.00 H new ATOM 1333 N TYR B 88 12.334 4.380 -2.134 1.00 0.00 N ATOM 1334 CA TYR B 88 11.887 5.329 -1.134 1.00 0.00 C ATOM 1335 C TYR B 88 10.368 5.352 -1.118 1.00 0.00 C ATOM 1336 O TYR B 88 9.733 5.863 -2.042 1.00 0.00 O ATOM 1337 CB TYR B 88 12.449 6.720 -1.438 1.00 0.00 C ATOM 1338 CG TYR B 88 12.234 7.726 -0.329 1.00 0.00 C ATOM 1339 CD1 TYR B 88 11.085 8.501 -0.284 1.00 0.00 C ATOM 1340 CD2 TYR B 88 13.184 7.901 0.668 1.00 0.00 C ATOM 1341 CE1 TYR B 88 10.888 9.422 0.725 1.00 0.00 C ATOM 1342 CE2 TYR B 88 12.993 8.822 1.682 1.00 0.00 C ATOM 1343 CZ TYR B 88 11.842 9.580 1.703 1.00 0.00 C ATOM 1344 OH TYR B 88 11.643 10.501 2.708 1.00 0.00 O ATOM 0 H TYR B 88 12.022 4.592 -3.082 1.00 0.00 H new ATOM 0 HA TYR B 88 12.250 5.028 -0.151 1.00 0.00 H new ATOM 0 HB2 TYR B 88 13.518 6.634 -1.634 1.00 0.00 H new ATOM 0 HB3 TYR B 88 11.986 7.096 -2.351 1.00 0.00 H new ATOM 0 HD1 TYR B 88 10.333 8.382 -1.050 1.00 0.00 H new ATOM 0 HD2 TYR B 88 14.087 7.308 0.652 1.00 0.00 H new ATOM 0 HE1 TYR B 88 9.987 10.017 0.746 1.00 0.00 H new ATOM 0 HE2 TYR B 88 13.740 8.946 2.452 1.00 0.00 H new ATOM 0 HH TYR B 88 12.409 10.489 3.319 1.00 0.00 H new ATOM 1354 N ILE B 89 9.801 4.762 -0.089 1.00 0.00 N ATOM 1355 CA ILE B 89 8.359 4.602 0.014 1.00 0.00 C ATOM 1356 C ILE B 89 7.757 5.644 0.949 1.00 0.00 C ATOM 1357 O ILE B 89 8.240 5.835 2.066 1.00 0.00 O ATOM 1358 CB ILE B 89 8.009 3.193 0.537 1.00 0.00 C ATOM 1359 CG1 ILE B 89 8.820 2.133 -0.213 1.00 0.00 C ATOM 1360 CG2 ILE B 89 6.516 2.920 0.405 1.00 0.00 C ATOM 1361 CD1 ILE B 89 8.538 2.087 -1.692 1.00 0.00 C ATOM 0 H ILE B 89 10.321 4.379 0.700 1.00 0.00 H new ATOM 0 HA ILE B 89 7.941 4.737 -0.984 1.00 0.00 H new ATOM 0 HB ILE B 89 8.267 3.145 1.595 1.00 0.00 H new ATOM 0 HG12 ILE B 89 9.882 2.326 -0.061 1.00 0.00 H new ATOM 0 HG13 ILE B 89 8.609 1.155 0.218 1.00 0.00 H new ATOM 0 HG21 ILE B 89 6.294 1.921 0.780 1.00 0.00 H new ATOM 0 HG22 ILE B 89 5.959 3.657 0.984 1.00 0.00 H new ATOM 0 HG23 ILE B 89 6.225 2.987 -0.643 1.00 0.00 H new ATOM 0 HD11 ILE B 89 9.149 1.312 -2.155 1.00 0.00 H new ATOM 0 HD12 ILE B 89 7.484 1.863 -1.855 1.00 0.00 H new ATOM 0 HD13 ILE B 89 8.777 3.052 -2.138 1.00 0.00 H new ATOM 1373 N GLU B 90 6.707 6.320 0.497 1.00 0.00 N ATOM 1374 CA GLU B 90 6.024 7.303 1.333 1.00 0.00 C ATOM 1375 C GLU B 90 4.549 6.966 1.484 1.00 0.00 C ATOM 1376 O GLU B 90 4.051 6.004 0.891 1.00 0.00 O ATOM 1377 CB GLU B 90 6.148 8.716 0.769 1.00 0.00 C ATOM 1378 CG GLU B 90 7.571 9.131 0.449 1.00 0.00 C ATOM 1379 CD GLU B 90 7.660 10.559 -0.043 1.00 0.00 C ATOM 1380 OE1 GLU B 90 7.596 11.486 0.793 1.00 0.00 O1- ATOM 1381 OE2 GLU B 90 7.792 10.762 -1.265 1.00 0.00 O ATOM 0 H GLU B 90 6.312 6.208 -0.436 1.00 0.00 H new ATOM 0 HA GLU B 90 6.511 7.267 2.308 1.00 0.00 H new ATOM 0 HB2 GLU B 90 5.547 8.788 -0.138 1.00 0.00 H new ATOM 0 HB3 GLU B 90 5.728 9.421 1.487 1.00 0.00 H new ATOM 0 HG2 GLU B 90 8.188 9.018 1.340 1.00 0.00 H new ATOM 0 HG3 GLU B 90 7.980 8.463 -0.309 1.00 0.00 H new ATOM 1388 N ILE B 91 3.865 7.796 2.254 1.00 0.00 N ATOM 1389 CA ILE B 91 2.461 7.602 2.596 1.00 0.00 C ATOM 1390 C ILE B 91 1.801 8.963 2.810 1.00 0.00 C ATOM 1391 O ILE B 91 2.311 9.769 3.592 1.00 0.00 O ATOM 1392 CB ILE B 91 2.306 6.807 3.915 1.00 0.00 C ATOM 1393 CG1 ILE B 91 2.906 5.406 3.802 1.00 0.00 C ATOM 1394 CG2 ILE B 91 0.843 6.728 4.329 1.00 0.00 C ATOM 1395 CD1 ILE B 91 2.963 4.673 5.125 1.00 0.00 C ATOM 0 H ILE B 91 4.273 8.635 2.666 1.00 0.00 H new ATOM 0 HA ILE B 91 1.996 7.051 1.778 1.00 0.00 H new ATOM 0 HB ILE B 91 2.858 7.344 4.687 1.00 0.00 H new ATOM 0 HG12 ILE B 91 2.317 4.821 3.095 1.00 0.00 H new ATOM 0 HG13 ILE B 91 3.913 5.481 3.392 1.00 0.00 H new ATOM 0 HG21 ILE B 91 0.758 6.165 5.258 1.00 0.00 H new ATOM 0 HG22 ILE B 91 0.452 7.735 4.477 1.00 0.00 H new ATOM 0 HG23 ILE B 91 0.270 6.228 3.548 1.00 0.00 H new ATOM 0 HD11 ILE B 91 3.399 3.685 4.975 1.00 0.00 H new ATOM 0 HD12 ILE B 91 3.576 5.238 5.828 1.00 0.00 H new ATOM 0 HD13 ILE B 91 1.955 4.568 5.526 1.00 0.00 H new ATOM 1407 N LYS B 92 0.683 9.225 2.140 1.00 0.00 N ATOM 1408 CA LYS B 92 -0.037 10.487 2.329 1.00 0.00 C ATOM 1409 C LYS B 92 -1.352 10.502 1.564 1.00 0.00 C ATOM 1410 O LYS B 92 -1.506 9.814 0.556 1.00 0.00 O ATOM 1411 CB LYS B 92 0.825 11.663 1.875 1.00 0.00 C ATOM 1412 CG LYS B 92 1.249 11.568 0.430 1.00 0.00 C ATOM 1413 CD LYS B 92 2.170 12.719 0.061 1.00 0.00 C ATOM 1414 CE LYS B 92 2.813 12.509 -1.297 1.00 0.00 C ATOM 1415 NZ LYS B 92 3.716 13.626 -1.671 1.00 0.00 N1+ ATOM 0 H LYS B 92 0.256 8.589 1.466 1.00 0.00 H new ATOM 0 HA LYS B 92 -0.256 10.580 3.393 1.00 0.00 H new ATOM 0 HB2 LYS B 92 0.271 12.590 2.024 1.00 0.00 H new ATOM 0 HB3 LYS B 92 1.713 11.718 2.504 1.00 0.00 H new ATOM 0 HG2 LYS B 92 1.758 10.620 0.257 1.00 0.00 H new ATOM 0 HG3 LYS B 92 0.369 11.580 -0.213 1.00 0.00 H new ATOM 0 HD2 LYS B 92 1.604 13.651 0.056 1.00 0.00 H new ATOM 0 HD3 LYS B 92 2.946 12.822 0.819 1.00 0.00 H new ATOM 0 HE2 LYS B 92 3.377 11.576 -1.289 1.00 0.00 H new ATOM 0 HE3 LYS B 92 2.035 12.405 -2.053 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 4.132 13.438 -2.606 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 3.175 14.513 -1.705 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 4.475 13.710 -0.965 1.00 0.00 H new ATOM 1429 N GLN B 93 -2.291 11.302 2.056 1.00 0.00 N ATOM 1430 CA GLN B 93 -3.579 11.478 1.414 1.00 0.00 C ATOM 1431 C GLN B 93 -3.470 12.503 0.298 1.00 0.00 C ATOM 1432 O GLN B 93 -2.688 13.453 0.383 1.00 0.00 O ATOM 1433 CB GLN B 93 -4.662 11.892 2.427 1.00 0.00 C ATOM 1434 CG GLN B 93 -4.441 13.245 3.105 1.00 0.00 C ATOM 1435 CD GLN B 93 -3.321 13.235 4.130 1.00 0.00 C ATOM 1436 OE1 GLN B 93 -2.123 13.611 3.709 1.00 0.00 O flip ATOM 1437 NE2 GLN B 93 -3.536 12.912 5.298 1.00 0.00 N flip ATOM 0 H GLN B 93 -2.176 11.845 2.912 1.00 0.00 H new ATOM 0 HA GLN B 93 -3.878 10.520 0.988 1.00 0.00 H new ATOM 0 HB2 GLN B 93 -5.625 11.913 1.916 1.00 0.00 H new ATOM 0 HB3 GLN B 93 -4.727 11.124 3.198 1.00 0.00 H new ATOM 0 HG2 GLN B 93 -4.218 13.992 2.343 1.00 0.00 H new ATOM 0 HG3 GLN B 93 -5.366 13.553 3.593 1.00 0.00 H new ATOM 0 HE21 GLN B 93 -4.473 12.628 5.584 1.00 0.00 H new ATOM 0 HE22 GLN B 93 -2.777 12.928 5.980 1.00 0.00 H new ATOM 1446 N ILE B 94 -4.247 12.289 -0.746 1.00 0.00 N ATOM 1447 CA ILE B 94 -4.195 13.113 -1.941 1.00 0.00 C ATOM 1448 C ILE B 94 -5.493 13.896 -2.121 1.00 0.00 C ATOM 1449 O ILE B 94 -6.245 13.618 -3.079 1.00 0.00 O ATOM 1450 CB ILE B 94 -3.934 12.226 -3.174 1.00 0.00 C ATOM 1451 CG1 ILE B 94 -4.766 10.945 -3.063 1.00 0.00 C ATOM 1452 CG2 ILE B 94 -2.452 11.898 -3.273 1.00 0.00 C ATOM 1453 CD1 ILE B 94 -4.650 10.011 -4.250 1.00 0.00 C ATOM 1454 OXT ILE B 94 -5.772 14.779 -1.287 1.00 0.00 O ATOM 0 H ILE B 94 -4.935 11.537 -0.791 1.00 0.00 H new ATOM 0 HA ILE B 94 -3.380 13.829 -1.833 1.00 0.00 H new ATOM 0 HB ILE B 94 -4.227 12.760 -4.078 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -4.463 10.408 -2.164 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -5.813 11.218 -2.934 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -2.276 11.271 -4.147 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -1.881 12.821 -3.368 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -2.136 11.366 -2.375 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -5.272 9.132 -4.083 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -4.982 10.525 -5.152 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -3.611 9.703 -4.370 1.00 0.00 H new TER 1466 ILE B 94