USER MOD reduce.3.24.130724 H: found=0, std=0, add=1510, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1510 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 89 THR OG1 : rot -76:sc= 0.558 USER MOD Set 1.2: B 90 HIS : no HD1:sc= 0.498 K(o=1.1,f=-0.6) USER MOD Set 2.1: A 89 THR OG1 : rot -76:sc= 0.602 USER MOD Set 2.2: A 90 HIS : no HD1:sc= 0.539 K(o=1.1,f=-0.69) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 1.14 (180deg=0.631) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 172:sc= -0.0039 (180deg=-0.0772) USER MOD Single : A 7 HIS :FLIP no HE2:sc= -2.25 F(o=-3.4!,f=-2.3) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 16 HIS : no HD1:sc= -0.579 X(o=-0.58,f=-0.39) USER MOD Single : A 17 GLN : amide:sc= -0.89 K(o=-0.89,f=-2.1) USER MOD Single : A 18 TYR OH : rot -109:sc= 1.68 USER MOD Single : A 19 SER OG : rot -10:sc= 0.793 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -64:sc= 0.248 USER MOD Single : A 30 LYS NZ :NH3+ -178:sc= 1.19 (180deg=1.16) USER MOD Single : A 34 LYS NZ :NH3+ -176:sc= -1.2 (180deg=-1.21) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot -85:sc= 1.24 USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= 1.15 (180deg=0.869) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.248 F(o=-1.5!,f=-0.25) USER MOD Single : A 44 THR OG1 : rot -32:sc= 0.696 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0.0757 K(o=0.076,f=-1.6) USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= -0.355 (180deg=-0.566) USER MOD Single : A 51 LYS NZ :NH3+ -160:sc= -0.0515 (180deg=-0.429) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.303 F(o=-1,f=-0.3) USER MOD Single : A 64 ASN : amide:sc= 1.02 K(o=1,f=-0.06) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 68 GLN : amide:sc= -1.28 X(o=-1.3,f=-0.88) USER MOD Single : A 72 GLN : amide:sc= -0.873! X(o=-0.87!,f=-0.88) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -145:sc= 0.0207 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.013) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HE2:sc= 0.314 K(o=0.31,f=-3.2!) USER MOD Single : A 91 LYS NZ :NH3+ -176:sc= 0.661 (180deg=0.592) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 161:sc= 1.19 (180deg=0.577) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD Single : B 3 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.082) USER MOD Single : B 7 HIS :FLIP no HE2:sc= -2.51 F(o=-3.7!,f=-2.5) USER MOD Single : B 13 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : B 16 HIS : no HD1:sc= -0.566 X(o=-0.57,f=-0.35) USER MOD Single : B 17 GLN : amide:sc= -0.856 K(o=-0.86,f=-2.2) USER MOD Single : B 18 TYR OH : rot -109:sc= 1.68 USER MOD Single : B 19 SER OG : rot -13:sc= 0.832 USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 SER OG : rot -64:sc= 0.332 USER MOD Single : B 30 LYS NZ :NH3+ 176:sc= 1.08 (180deg=0.968) USER MOD Single : B 34 LYS NZ :NH3+ -178:sc= -1.19 (180deg=-1.19) USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 THR OG1 : rot -81:sc= 1.27 USER MOD Single : B 39 LYS NZ :NH3+ -164:sc= 1.14 (180deg=0.866) USER MOD Single : B 43 ASN :FLIP amide:sc= -0.302 F(o=-1.6!,f=-0.3) USER MOD Single : B 44 THR OG1 : rot -33:sc= 0.684 USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 ASN : amide:sc= 0.0672 K(o=0.067,f=-1.5) USER MOD Single : B 49 LYS NZ :NH3+ 166:sc= -0.33 (180deg=-0.555) USER MOD Single : B 51 LYS NZ :NH3+ -130:sc= -0.0692 (180deg=-0.449) USER MOD Single : B 59 GLN :FLIP amide:sc= -0.22 F(o=-1.1,f=-0.22) USER MOD Single : B 64 ASN : amide:sc= 0.868 K(o=0.87,f=-0.18) USER MOD Single : B 65 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : B 68 GLN : amide:sc= -1.2! X(o=-1.2!,f=-0.76) USER MOD Single : B 72 GLN : amide:sc= -0.874! X(o=-0.87!,f=-0.85) USER MOD Single : B 76 SER OG : rot 180:sc= 0 USER MOD Single : B 83 LYS NZ :NH3+ -145:sc= 0.0329 (180deg=0) USER MOD Single : B 86 HIS : no HD1:sc= -0.0417 X(o=-0.042,f=-0.0092) USER MOD Single : B 87 TYR OH : rot 180:sc= 0 USER MOD Single : B 88 HIS : no HE2:sc= 0.312 K(o=0.31,f=-3.2!) USER MOD Single : B 91 LYS NZ :NH3+ -176:sc= 0.627 (180deg=0.513) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.509 7.771 17.715 1.00 4.69 N ATOM 2 CA MET A 1 -12.261 6.450 17.093 1.00 4.21 C ATOM 3 C MET A 1 -10.946 6.475 16.334 1.00 3.60 C ATOM 4 O MET A 1 -10.637 7.456 15.656 1.00 4.04 O ATOM 5 CB MET A 1 -13.397 6.080 16.132 1.00 4.50 C ATOM 6 CG MET A 1 -14.743 5.862 16.807 1.00 5.00 C ATOM 7 SD MET A 1 -15.419 7.366 17.539 1.00 5.79 S ATOM 8 CE MET A 1 -16.948 6.744 18.230 1.00 6.42 C ATOM 0 H1 MET A 1 -13.528 7.888 17.888 1.00 4.69 H new ATOM 0 H2 MET A 1 -11.996 7.832 18.618 1.00 4.69 H new ATOM 0 H3 MET A 1 -12.178 8.523 17.077 1.00 4.69 H new ATOM 0 HA MET A 1 -12.214 5.702 17.885 1.00 4.21 H new ATOM 0 HB2 MET A 1 -13.500 6.871 15.389 1.00 4.50 H new ATOM 0 HB3 MET A 1 -13.122 5.172 15.595 1.00 4.50 H new ATOM 0 HG2 MET A 1 -15.450 5.471 16.076 1.00 5.00 H new ATOM 0 HG3 MET A 1 -14.635 5.104 17.583 1.00 5.00 H new ATOM 0 HE1 MET A 1 -17.484 7.557 18.719 1.00 6.42 H new ATOM 0 HE2 MET A 1 -17.566 6.330 17.433 1.00 6.42 H new ATOM 0 HE3 MET A 1 -16.727 5.965 18.959 1.00 6.42 H new ATOM 20 N THR A 2 -10.163 5.414 16.462 1.00 3.06 N ATOM 21 CA THR A 2 -8.918 5.301 15.726 1.00 2.90 C ATOM 22 C THR A 2 -9.216 5.149 14.237 1.00 2.45 C ATOM 23 O THR A 2 -10.049 4.333 13.838 1.00 3.04 O ATOM 24 CB THR A 2 -8.055 4.118 16.237 1.00 3.67 C ATOM 25 OG1 THR A 2 -6.818 4.051 15.514 1.00 4.25 O ATOM 26 CG2 THR A 2 -8.792 2.790 16.109 1.00 4.23 C ATOM 0 H THR A 2 -10.370 4.621 17.069 1.00 3.06 H new ATOM 0 HA THR A 2 -8.341 6.212 15.887 1.00 2.90 H new ATOM 0 HB THR A 2 -7.851 4.297 17.293 1.00 3.67 H new ATOM 0 HG1 THR A 2 -6.284 3.301 15.849 1.00 4.25 H new ATOM 0 HG21 THR A 2 -8.157 1.984 16.477 1.00 4.23 H new ATOM 0 HG22 THR A 2 -9.710 2.825 16.696 1.00 4.23 H new ATOM 0 HG23 THR A 2 -9.038 2.610 15.062 1.00 4.23 H new ATOM 34 N LYS A 3 -8.573 5.970 13.423 1.00 2.16 N ATOM 35 CA LYS A 3 -8.824 5.966 11.991 1.00 2.53 C ATOM 36 C LYS A 3 -7.971 4.917 11.289 1.00 2.08 C ATOM 37 O LYS A 3 -8.243 4.540 10.156 1.00 2.81 O ATOM 38 CB LYS A 3 -8.556 7.352 11.404 1.00 3.53 C ATOM 39 CG LYS A 3 -9.545 8.410 11.866 1.00 4.29 C ATOM 40 CD LYS A 3 -9.252 9.758 11.229 1.00 5.38 C ATOM 41 CE LYS A 3 -10.297 10.799 11.604 1.00 5.97 C ATOM 42 NZ LYS A 3 -10.343 11.051 13.068 1.00 6.05 N ATOM 0 H LYS A 3 -7.874 6.647 13.729 1.00 2.16 H new ATOM 0 HA LYS A 3 -9.871 5.711 11.829 1.00 2.53 H new ATOM 0 HB2 LYS A 3 -7.548 7.665 11.677 1.00 3.53 H new ATOM 0 HB3 LYS A 3 -8.586 7.289 10.316 1.00 3.53 H new ATOM 0 HG2 LYS A 3 -10.558 8.099 11.612 1.00 4.29 H new ATOM 0 HG3 LYS A 3 -9.502 8.502 12.951 1.00 4.29 H new ATOM 0 HD2 LYS A 3 -8.267 10.102 11.543 1.00 5.38 H new ATOM 0 HD3 LYS A 3 -9.220 9.649 10.145 1.00 5.38 H new ATOM 0 HE2 LYS A 3 -10.080 11.732 11.084 1.00 5.97 H new ATOM 0 HE3 LYS A 3 -11.277 10.465 11.264 1.00 5.97 H new ATOM 0 HZ1 LYS A 3 -10.969 11.859 13.262 1.00 6.05 H new ATOM 0 HZ2 LYS A 3 -10.707 10.207 13.554 1.00 6.05 H new ATOM 0 HZ3 LYS A 3 -9.386 11.264 13.414 1.00 6.05 H new ATOM 56 N LEU A 4 -6.937 4.453 11.984 1.00 1.61 N ATOM 57 CA LEU A 4 -6.042 3.418 11.470 1.00 1.98 C ATOM 58 C LEU A 4 -5.220 3.924 10.284 1.00 1.51 C ATOM 59 O LEU A 4 -4.558 3.141 9.599 1.00 2.03 O ATOM 60 CB LEU A 4 -6.823 2.157 11.074 1.00 3.02 C ATOM 61 CG LEU A 4 -7.576 1.464 12.213 1.00 3.80 C ATOM 62 CD1 LEU A 4 -8.325 0.247 11.694 1.00 4.50 C ATOM 63 CD2 LEU A 4 -6.616 1.060 13.322 1.00 4.44 C ATOM 0 H LEU A 4 -6.695 4.782 12.918 1.00 1.61 H new ATOM 0 HA LEU A 4 -5.353 3.161 12.275 1.00 1.98 H new ATOM 0 HB2 LEU A 4 -7.540 2.423 10.297 1.00 3.02 H new ATOM 0 HB3 LEU A 4 -6.127 1.443 10.634 1.00 3.02 H new ATOM 0 HG LEU A 4 -8.300 2.169 12.622 1.00 3.80 H new ATOM 0 HD11 LEU A 4 -8.854 -0.233 12.517 1.00 4.50 H new ATOM 0 HD12 LEU A 4 -9.042 0.558 10.934 1.00 4.50 H new ATOM 0 HD13 LEU A 4 -7.617 -0.458 11.258 1.00 4.50 H new ATOM 0 HD21 LEU A 4 -7.170 0.569 14.122 1.00 4.44 H new ATOM 0 HD22 LEU A 4 -5.869 0.373 12.924 1.00 4.44 H new ATOM 0 HD23 LEU A 4 -6.120 1.948 13.715 1.00 4.44 H new ATOM 75 N GLU A 5 -5.232 5.236 10.064 1.00 1.20 N ATOM 76 CA GLU A 5 -4.436 5.837 9.000 1.00 0.93 C ATOM 77 C GLU A 5 -2.956 5.808 9.382 1.00 0.69 C ATOM 78 O GLU A 5 -2.076 6.100 8.569 1.00 0.68 O ATOM 79 CB GLU A 5 -4.907 7.264 8.704 1.00 1.39 C ATOM 80 CG GLU A 5 -4.763 8.229 9.867 1.00 1.80 C ATOM 81 CD GLU A 5 -5.335 9.599 9.558 1.00 2.48 C ATOM 82 OE1 GLU A 5 -5.036 10.147 8.476 1.00 3.10 O ATOM 83 OE2 GLU A 5 -6.067 10.147 10.409 1.00 3.00 O ATOM 0 H GLU A 5 -5.783 5.901 10.607 1.00 1.20 H new ATOM 0 HA GLU A 5 -4.569 5.256 8.087 1.00 0.93 H new ATOM 0 HB2 GLU A 5 -4.342 7.651 7.856 1.00 1.39 H new ATOM 0 HB3 GLU A 5 -5.954 7.232 8.402 1.00 1.39 H new ATOM 0 HG2 GLU A 5 -5.267 7.817 10.741 1.00 1.80 H new ATOM 0 HG3 GLU A 5 -3.708 8.329 10.124 1.00 1.80 H new ATOM 90 N GLU A 6 -2.704 5.424 10.632 1.00 0.68 N ATOM 91 CA GLU A 6 -1.356 5.161 11.123 1.00 0.67 C ATOM 92 C GLU A 6 -0.706 4.040 10.309 1.00 0.54 C ATOM 93 O GLU A 6 0.512 3.901 10.272 1.00 0.60 O ATOM 94 CB GLU A 6 -1.416 4.775 12.608 1.00 0.78 C ATOM 95 CG GLU A 6 -0.063 4.472 13.238 1.00 1.07 C ATOM 96 CD GLU A 6 0.861 5.673 13.263 1.00 1.79 C ATOM 97 OE1 GLU A 6 0.700 6.534 14.153 1.00 2.51 O ATOM 98 OE2 GLU A 6 1.757 5.759 12.402 1.00 2.48 O ATOM 0 H GLU A 6 -3.432 5.287 11.333 1.00 0.68 H new ATOM 0 HA GLU A 6 -0.752 6.062 11.013 1.00 0.67 H new ATOM 0 HB2 GLU A 6 -1.887 5.587 13.162 1.00 0.78 H new ATOM 0 HB3 GLU A 6 -2.057 3.900 12.717 1.00 0.78 H new ATOM 0 HG2 GLU A 6 -0.214 4.116 14.257 1.00 1.07 H new ATOM 0 HG3 GLU A 6 0.416 3.664 12.686 1.00 1.07 H new ATOM 105 N HIS A 7 -1.526 3.242 9.642 1.00 0.42 N ATOM 106 CA HIS A 7 -1.009 2.191 8.786 1.00 0.38 C ATOM 107 C HIS A 7 -0.414 2.799 7.522 1.00 0.35 C ATOM 108 O HIS A 7 0.673 2.415 7.103 1.00 0.39 O ATOM 109 CB HIS A 7 -2.096 1.165 8.445 1.00 0.43 C ATOM 110 CG HIS A 7 -2.527 0.338 9.622 1.00 0.95 C ATOM 111 ND1 HIS A 7 -3.426 0.593 10.603 1.00 1.73 N flip ATOM 112 CD2 HIS A 7 -2.002 -0.905 9.907 1.00 1.60 C flip ATOM 113 CE1 HIS A 7 -3.426 -0.483 11.450 1.00 2.16 C flip ATOM 114 NE2 HIS A 7 -2.560 -1.371 11.010 1.00 2.03 N flip ATOM 0 H HIS A 7 -2.544 3.303 9.678 1.00 0.42 H new ATOM 0 HA HIS A 7 -0.223 1.662 9.324 1.00 0.38 H new ATOM 0 HB2 HIS A 7 -2.963 1.687 8.040 1.00 0.43 H new ATOM 0 HB3 HIS A 7 -1.727 0.503 7.661 1.00 0.43 H new ATOM 0 HD1 HIS A 7 -3.998 1.433 10.694 1.00 1.73 H new ATOM 0 HD2 HIS A 7 -1.253 -1.417 9.321 1.00 1.60 H new ATOM 0 HE1 HIS A 7 -4.037 -0.586 12.335 1.00 2.16 H new ATOM 123 N LEU A 8 -1.115 3.777 6.947 1.00 0.34 N ATOM 124 CA LEU A 8 -0.635 4.475 5.756 1.00 0.32 C ATOM 125 C LEU A 8 0.582 5.323 6.083 1.00 0.33 C ATOM 126 O LEU A 8 1.672 5.098 5.553 1.00 0.33 O ATOM 127 CB LEU A 8 -1.729 5.380 5.203 1.00 0.33 C ATOM 128 CG LEU A 8 -3.030 4.671 4.846 1.00 0.32 C ATOM 129 CD1 LEU A 8 -4.044 5.670 4.341 1.00 0.32 C ATOM 130 CD2 LEU A 8 -2.793 3.575 3.818 1.00 0.33 C ATOM 0 H LEU A 8 -2.019 4.104 7.289 1.00 0.34 H new ATOM 0 HA LEU A 8 -0.362 3.725 5.014 1.00 0.32 H new ATOM 0 HB2 LEU A 8 -1.945 6.155 5.938 1.00 0.33 H new ATOM 0 HB3 LEU A 8 -1.350 5.882 4.313 1.00 0.33 H new ATOM 0 HG LEU A 8 -3.423 4.199 5.747 1.00 0.32 H new ATOM 0 HD11 LEU A 8 -4.970 5.153 4.089 1.00 0.32 H new ATOM 0 HD12 LEU A 8 -4.242 6.411 5.116 1.00 0.32 H new ATOM 0 HD13 LEU A 8 -3.653 6.168 3.454 1.00 0.32 H new ATOM 0 HD21 LEU A 8 -3.738 3.086 3.582 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -2.374 4.011 2.911 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -2.096 2.841 4.223 1.00 0.33 H new ATOM 142 N GLU A 9 0.399 6.279 6.985 1.00 0.37 N ATOM 143 CA GLU A 9 1.464 7.202 7.338 1.00 0.40 C ATOM 144 C GLU A 9 2.600 6.469 8.035 1.00 0.40 C ATOM 145 O GLU A 9 3.736 6.937 8.053 1.00 0.42 O ATOM 146 CB GLU A 9 0.942 8.321 8.232 1.00 0.47 C ATOM 147 CG GLU A 9 -0.163 9.147 7.598 1.00 1.24 C ATOM 148 CD GLU A 9 -0.517 10.365 8.423 1.00 1.72 C ATOM 149 OE1 GLU A 9 -1.224 10.218 9.441 1.00 2.17 O ATOM 150 OE2 GLU A 9 -0.078 11.479 8.061 1.00 2.41 O ATOM 0 H GLU A 9 -0.477 6.433 7.484 1.00 0.37 H new ATOM 0 HA GLU A 9 1.842 7.643 6.416 1.00 0.40 H new ATOM 0 HB2 GLU A 9 0.572 7.888 9.161 1.00 0.47 H new ATOM 0 HB3 GLU A 9 1.770 8.980 8.495 1.00 0.47 H new ATOM 0 HG2 GLU A 9 0.149 9.464 6.603 1.00 1.24 H new ATOM 0 HG3 GLU A 9 -1.050 8.526 7.472 1.00 1.24 H new ATOM 157 N GLY A 10 2.274 5.319 8.609 1.00 0.40 N ATOM 158 CA GLY A 10 3.272 4.494 9.249 1.00 0.43 C ATOM 159 C GLY A 10 4.189 3.827 8.248 1.00 0.39 C ATOM 160 O GLY A 10 5.383 3.700 8.490 1.00 0.44 O ATOM 0 H GLY A 10 1.327 4.943 8.641 1.00 0.40 H new ATOM 0 HA2 GLY A 10 3.864 5.105 9.930 1.00 0.43 H new ATOM 0 HA3 GLY A 10 2.779 3.731 9.852 1.00 0.43 H new ATOM 164 N ILE A 11 3.635 3.393 7.121 1.00 0.34 N ATOM 165 CA ILE A 11 4.450 2.846 6.043 1.00 0.33 C ATOM 166 C ILE A 11 5.314 3.956 5.460 1.00 0.33 C ATOM 167 O ILE A 11 6.489 3.758 5.141 1.00 0.38 O ATOM 168 CB ILE A 11 3.583 2.207 4.935 1.00 0.35 C ATOM 169 CG1 ILE A 11 2.842 0.988 5.488 1.00 0.41 C ATOM 170 CG2 ILE A 11 4.435 1.814 3.736 1.00 0.50 C ATOM 171 CD1 ILE A 11 1.929 0.321 4.484 1.00 1.16 C ATOM 0 H ILE A 11 2.633 3.409 6.931 1.00 0.34 H new ATOM 0 HA ILE A 11 5.081 2.058 6.454 1.00 0.33 H new ATOM 0 HB ILE A 11 2.852 2.943 4.601 1.00 0.35 H new ATOM 0 HG12 ILE A 11 3.572 0.260 5.841 1.00 0.41 H new ATOM 0 HG13 ILE A 11 2.254 1.294 6.353 1.00 0.41 H new ATOM 0 HG21 ILE A 11 3.801 1.367 2.970 1.00 0.50 H new ATOM 0 HG22 ILE A 11 4.923 2.700 3.331 1.00 0.50 H new ATOM 0 HG23 ILE A 11 5.191 1.093 4.048 1.00 0.50 H new ATOM 0 HD11 ILE A 11 1.439 -0.534 4.950 1.00 1.16 H new ATOM 0 HD12 ILE A 11 1.175 1.033 4.149 1.00 1.16 H new ATOM 0 HD13 ILE A 11 2.514 -0.017 3.629 1.00 1.16 H new ATOM 183 N VAL A 12 4.717 5.136 5.363 1.00 0.33 N ATOM 184 CA VAL A 12 5.432 6.342 4.976 1.00 0.38 C ATOM 185 C VAL A 12 6.562 6.631 5.972 1.00 0.40 C ATOM 186 O VAL A 12 7.629 7.120 5.600 1.00 0.45 O ATOM 187 CB VAL A 12 4.458 7.538 4.901 1.00 0.45 C ATOM 188 CG1 VAL A 12 5.186 8.837 4.620 1.00 0.57 C ATOM 189 CG2 VAL A 12 3.411 7.281 3.834 1.00 0.48 C ATOM 0 H VAL A 12 3.725 5.283 5.550 1.00 0.33 H new ATOM 0 HA VAL A 12 5.871 6.190 3.990 1.00 0.38 H new ATOM 0 HB VAL A 12 3.972 7.638 5.871 1.00 0.45 H new ATOM 0 HG11 VAL A 12 4.467 9.655 4.575 1.00 0.57 H new ATOM 0 HG12 VAL A 12 5.906 9.030 5.416 1.00 0.57 H new ATOM 0 HG13 VAL A 12 5.710 8.762 3.667 1.00 0.57 H new ATOM 0 HG21 VAL A 12 2.726 8.128 3.785 1.00 0.48 H new ATOM 0 HG22 VAL A 12 3.900 7.153 2.868 1.00 0.48 H new ATOM 0 HG23 VAL A 12 2.854 6.377 4.081 1.00 0.48 H new ATOM 199 N ASN A 13 6.323 6.290 7.235 1.00 0.42 N ATOM 200 CA ASN A 13 7.319 6.453 8.291 1.00 0.48 C ATOM 201 C ASN A 13 8.454 5.443 8.136 1.00 0.48 C ATOM 202 O ASN A 13 9.608 5.749 8.429 1.00 0.58 O ATOM 203 CB ASN A 13 6.665 6.306 9.670 1.00 0.61 C ATOM 204 CG ASN A 13 7.673 6.322 10.807 1.00 0.75 C ATOM 205 OD1 ASN A 13 8.166 5.276 11.232 1.00 1.31 O ATOM 206 ND2 ASN A 13 7.983 7.507 11.309 1.00 1.42 N ATOM 0 H ASN A 13 5.439 5.895 7.555 1.00 0.42 H new ATOM 0 HA ASN A 13 7.740 7.455 8.205 1.00 0.48 H new ATOM 0 HB2 ASN A 13 5.949 7.115 9.815 1.00 0.61 H new ATOM 0 HB3 ASN A 13 6.103 5.373 9.702 1.00 0.61 H new ATOM 0 HD21 ASN A 13 8.652 7.577 12.076 1.00 1.42 H new ATOM 0 HD22 ASN A 13 7.553 8.350 10.929 1.00 1.42 H new ATOM 213 N ILE A 14 8.128 4.240 7.671 1.00 0.47 N ATOM 214 CA ILE A 14 9.145 3.220 7.433 1.00 0.57 C ATOM 215 C ILE A 14 10.033 3.646 6.264 1.00 0.53 C ATOM 216 O ILE A 14 11.256 3.455 6.284 1.00 0.60 O ATOM 217 CB ILE A 14 8.525 1.833 7.143 1.00 0.68 C ATOM 218 CG1 ILE A 14 7.433 1.507 8.164 1.00 1.33 C ATOM 219 CG2 ILE A 14 9.605 0.761 7.184 1.00 1.14 C ATOM 220 CD1 ILE A 14 6.710 0.205 7.890 1.00 2.06 C ATOM 0 H ILE A 14 7.175 3.949 7.453 1.00 0.47 H new ATOM 0 HA ILE A 14 9.740 3.127 8.342 1.00 0.57 H new ATOM 0 HB ILE A 14 8.078 1.856 6.149 1.00 0.68 H new ATOM 0 HG12 ILE A 14 7.879 1.462 9.158 1.00 1.33 H new ATOM 0 HG13 ILE A 14 6.707 2.320 8.177 1.00 1.33 H new ATOM 0 HG21 ILE A 14 9.159 -0.212 6.979 1.00 1.14 H new ATOM 0 HG22 ILE A 14 10.363 0.979 6.432 1.00 1.14 H new ATOM 0 HG23 ILE A 14 10.067 0.748 8.171 1.00 1.14 H new ATOM 0 HD11 ILE A 14 5.951 0.042 8.655 1.00 2.06 H new ATOM 0 HD12 ILE A 14 6.234 0.252 6.911 1.00 2.06 H new ATOM 0 HD13 ILE A 14 7.424 -0.618 7.906 1.00 2.06 H new ATOM 232 N PHE A 15 9.409 4.246 5.250 1.00 0.48 N ATOM 233 CA PHE A 15 10.149 4.872 4.161 1.00 0.58 C ATOM 234 C PHE A 15 11.049 5.952 4.740 1.00 0.60 C ATOM 235 O PHE A 15 12.240 6.025 4.441 1.00 0.70 O ATOM 236 CB PHE A 15 9.183 5.488 3.138 1.00 0.68 C ATOM 237 CG PHE A 15 9.850 6.059 1.910 1.00 1.18 C ATOM 238 CD1 PHE A 15 10.638 7.199 1.985 1.00 1.74 C ATOM 239 CD2 PHE A 15 9.680 5.456 0.677 1.00 1.93 C ATOM 240 CE1 PHE A 15 11.244 7.718 0.857 1.00 2.35 C ATOM 241 CE2 PHE A 15 10.280 5.972 -0.455 1.00 2.54 C ATOM 242 CZ PHE A 15 11.063 7.103 -0.365 1.00 2.57 C ATOM 0 H PHE A 15 8.395 4.310 5.163 1.00 0.48 H new ATOM 0 HA PHE A 15 10.750 4.119 3.651 1.00 0.58 H new ATOM 0 HB2 PHE A 15 8.469 4.725 2.827 1.00 0.68 H new ATOM 0 HB3 PHE A 15 8.612 6.278 3.626 1.00 0.68 H new ATOM 0 HD1 PHE A 15 10.779 7.687 2.938 1.00 1.74 H new ATOM 0 HD2 PHE A 15 9.069 4.569 0.598 1.00 1.93 H new ATOM 0 HE1 PHE A 15 11.858 8.603 0.932 1.00 2.35 H new ATOM 0 HE2 PHE A 15 10.136 5.490 -1.410 1.00 2.54 H new ATOM 0 HZ PHE A 15 11.534 7.507 -1.249 1.00 2.57 H new ATOM 252 N HIS A 16 10.454 6.771 5.596 1.00 0.59 N ATOM 253 CA HIS A 16 11.150 7.855 6.272 1.00 0.71 C ATOM 254 C HIS A 16 12.317 7.319 7.105 1.00 0.75 C ATOM 255 O HIS A 16 13.276 8.040 7.375 1.00 0.88 O ATOM 256 CB HIS A 16 10.150 8.614 7.156 1.00 0.77 C ATOM 257 CG HIS A 16 10.683 9.857 7.801 1.00 1.15 C ATOM 258 ND1 HIS A 16 10.812 11.056 7.135 1.00 1.82 N ATOM 259 CD2 HIS A 16 11.085 10.092 9.071 1.00 1.84 C ATOM 260 CE1 HIS A 16 11.269 11.971 7.965 1.00 2.22 C ATOM 261 NE2 HIS A 16 11.443 11.415 9.149 1.00 2.23 N ATOM 0 H HIS A 16 9.467 6.701 5.842 1.00 0.59 H new ATOM 0 HA HIS A 16 11.566 8.536 5.530 1.00 0.71 H new ATOM 0 HB2 HIS A 16 9.284 8.881 6.550 1.00 0.77 H new ATOM 0 HB3 HIS A 16 9.797 7.941 7.938 1.00 0.77 H new ATOM 0 HD2 HIS A 16 11.118 9.372 9.875 1.00 1.84 H new ATOM 0 HE1 HIS A 16 11.468 13.003 7.718 1.00 2.22 H new ATOM 0 HE2 HIS A 16 11.787 11.890 9.984 1.00 2.23 H new ATOM 270 N GLN A 17 12.235 6.048 7.491 1.00 0.69 N ATOM 271 CA GLN A 17 13.277 5.421 8.288 1.00 0.81 C ATOM 272 C GLN A 17 14.541 5.215 7.455 1.00 0.93 C ATOM 273 O GLN A 17 15.592 5.770 7.782 1.00 1.18 O ATOM 274 CB GLN A 17 12.780 4.093 8.878 1.00 0.85 C ATOM 275 CG GLN A 17 13.721 3.471 9.904 1.00 1.27 C ATOM 276 CD GLN A 17 14.886 2.721 9.280 1.00 1.99 C ATOM 277 OE1 GLN A 17 14.764 2.145 8.199 1.00 2.60 O ATOM 278 NE2 GLN A 17 16.025 2.734 9.950 1.00 2.77 N ATOM 0 H GLN A 17 11.454 5.434 7.262 1.00 0.69 H new ATOM 0 HA GLN A 17 13.526 6.085 9.116 1.00 0.81 H new ATOM 0 HB2 GLN A 17 11.809 4.257 9.345 1.00 0.85 H new ATOM 0 HB3 GLN A 17 12.627 3.383 8.066 1.00 0.85 H new ATOM 0 HG2 GLN A 17 14.110 4.256 10.552 1.00 1.27 H new ATOM 0 HG3 GLN A 17 13.155 2.787 10.537 1.00 1.27 H new ATOM 0 HE21 GLN A 17 16.086 3.223 10.843 1.00 2.77 H new ATOM 0 HE22 GLN A 17 16.843 2.255 9.574 1.00 2.77 H new ATOM 287 N TYR A 18 14.456 4.441 6.368 1.00 0.85 N ATOM 288 CA TYR A 18 15.638 4.230 5.530 1.00 1.07 C ATOM 289 C TYR A 18 15.968 5.481 4.712 1.00 1.34 C ATOM 290 O TYR A 18 16.981 5.538 4.014 1.00 1.76 O ATOM 291 CB TYR A 18 15.488 2.996 4.627 1.00 1.22 C ATOM 292 CG TYR A 18 14.559 3.155 3.442 1.00 2.34 C ATOM 293 CD1 TYR A 18 15.037 3.613 2.221 1.00 3.14 C ATOM 294 CD2 TYR A 18 13.221 2.803 3.528 1.00 3.25 C ATOM 295 CE1 TYR A 18 14.207 3.726 1.124 1.00 4.38 C ATOM 296 CE2 TYR A 18 12.386 2.904 2.430 1.00 4.48 C ATOM 297 CZ TYR A 18 12.884 3.366 1.234 1.00 4.92 C ATOM 298 OH TYR A 18 12.060 3.458 0.139 1.00 6.25 O ATOM 0 H TYR A 18 13.610 3.965 6.056 1.00 0.85 H new ATOM 0 HA TYR A 18 16.477 4.037 6.199 1.00 1.07 H new ATOM 0 HB2 TYR A 18 16.475 2.719 4.256 1.00 1.22 H new ATOM 0 HB3 TYR A 18 15.131 2.165 5.236 1.00 1.22 H new ATOM 0 HD1 TYR A 18 16.078 3.886 2.128 1.00 3.14 H new ATOM 0 HD2 TYR A 18 12.825 2.444 4.466 1.00 3.25 H new ATOM 0 HE1 TYR A 18 14.594 4.095 0.185 1.00 4.38 H new ATOM 0 HE2 TYR A 18 11.347 2.621 2.511 1.00 4.48 H new ATOM 0 HH TYR A 18 11.427 4.195 0.267 1.00 6.25 H new ATOM 308 N SER A 19 15.112 6.490 4.817 1.00 1.32 N ATOM 309 CA SER A 19 15.371 7.793 4.219 1.00 1.77 C ATOM 310 C SER A 19 16.210 8.643 5.183 1.00 1.85 C ATOM 311 O SER A 19 16.342 9.857 5.018 1.00 2.32 O ATOM 312 CB SER A 19 14.042 8.487 3.895 1.00 2.37 C ATOM 313 OG SER A 19 14.230 9.696 3.180 1.00 3.01 O ATOM 0 H SER A 19 14.224 6.429 5.316 1.00 1.32 H new ATOM 0 HA SER A 19 15.929 7.668 3.291 1.00 1.77 H new ATOM 0 HB2 SER A 19 13.416 7.814 3.309 1.00 2.37 H new ATOM 0 HB3 SER A 19 13.507 8.694 4.822 1.00 2.37 H new ATOM 0 HG SER A 19 15.183 9.926 3.171 1.00 3.01 H new ATOM 319 N VAL A 20 16.764 7.978 6.199 1.00 2.11 N ATOM 320 CA VAL A 20 17.628 8.610 7.198 1.00 2.50 C ATOM 321 C VAL A 20 16.870 9.708 7.952 1.00 2.64 C ATOM 322 O VAL A 20 17.427 10.736 8.338 1.00 3.25 O ATOM 323 CB VAL A 20 18.930 9.172 6.569 1.00 3.30 C ATOM 324 CG1 VAL A 20 19.969 9.470 7.642 1.00 3.90 C ATOM 325 CG2 VAL A 20 19.497 8.196 5.544 1.00 4.13 C ATOM 0 H VAL A 20 16.625 6.979 6.353 1.00 2.11 H new ATOM 0 HA VAL A 20 17.921 7.838 7.909 1.00 2.50 H new ATOM 0 HB VAL A 20 18.682 10.105 6.063 1.00 3.30 H new ATOM 0 HG11 VAL A 20 20.872 9.863 7.175 1.00 3.90 H new ATOM 0 HG12 VAL A 20 19.571 10.207 8.339 1.00 3.90 H new ATOM 0 HG13 VAL A 20 20.209 8.553 8.181 1.00 3.90 H new ATOM 0 HG21 VAL A 20 20.410 8.609 5.115 1.00 4.13 H new ATOM 0 HG22 VAL A 20 19.722 7.247 6.031 1.00 4.13 H new ATOM 0 HG23 VAL A 20 18.765 8.033 4.753 1.00 4.13 H new ATOM 335 N ARG A 21 15.573 9.469 8.133 1.00 2.80 N ATOM 336 CA ARG A 21 14.708 10.311 8.957 1.00 3.55 C ATOM 337 C ARG A 21 14.683 11.772 8.511 1.00 3.96 C ATOM 338 O ARG A 21 14.547 12.673 9.343 1.00 4.55 O ATOM 339 CB ARG A 21 15.122 10.224 10.424 1.00 4.19 C ATOM 340 CG ARG A 21 14.998 8.828 11.008 1.00 4.83 C ATOM 341 CD ARG A 21 15.318 8.824 12.490 1.00 5.36 C ATOM 342 NE ARG A 21 14.402 9.678 13.246 1.00 5.87 N ATOM 343 CZ ARG A 21 14.631 10.095 14.487 1.00 6.57 C ATOM 344 NH1 ARG A 21 15.737 9.729 15.118 1.00 6.84 N ATOM 345 NH2 ARG A 21 13.748 10.874 15.096 1.00 7.28 N ATOM 0 H ARG A 21 15.088 8.678 7.708 1.00 2.80 H new ATOM 0 HA ARG A 21 13.696 9.925 8.831 1.00 3.55 H new ATOM 0 HB2 ARG A 21 16.154 10.560 10.522 1.00 4.19 H new ATOM 0 HB3 ARG A 21 14.507 10.909 11.008 1.00 4.19 H new ATOM 0 HG2 ARG A 21 13.987 8.453 10.851 1.00 4.83 H new ATOM 0 HG3 ARG A 21 15.674 8.151 10.485 1.00 4.83 H new ATOM 0 HD2 ARG A 21 15.262 7.804 12.871 1.00 5.36 H new ATOM 0 HD3 ARG A 21 16.342 9.165 12.642 1.00 5.36 H new ATOM 0 HE ARG A 21 13.536 9.971 12.794 1.00 5.87 H new ATOM 0 HH11 ARG A 21 16.415 9.126 14.651 1.00 6.84 H new ATOM 0 HH12 ARG A 21 15.911 10.050 16.070 1.00 6.84 H new ATOM 0 HH21 ARG A 21 12.894 11.152 14.612 1.00 7.28 H new ATOM 0 HH22 ARG A 21 13.922 11.195 16.048 1.00 7.28 H new ATOM 359 N LYS A 22 14.790 12.014 7.210 1.00 4.13 N ATOM 360 CA LYS A 22 14.648 13.366 6.688 1.00 4.90 C ATOM 361 C LYS A 22 14.233 13.345 5.223 1.00 5.04 C ATOM 362 O LYS A 22 13.113 13.735 4.887 1.00 5.58 O ATOM 363 CB LYS A 22 15.942 14.167 6.872 1.00 5.68 C ATOM 364 CG LYS A 22 15.840 15.602 6.372 1.00 6.44 C ATOM 365 CD LYS A 22 16.983 16.468 6.886 1.00 7.32 C ATOM 366 CE LYS A 22 18.342 15.940 6.454 1.00 8.19 C ATOM 367 NZ LYS A 22 19.450 16.796 6.960 1.00 8.70 N ATOM 0 H LYS A 22 14.973 11.300 6.505 1.00 4.13 H new ATOM 0 HA LYS A 22 13.860 13.860 7.257 1.00 4.90 H new ATOM 0 HB2 LYS A 22 16.208 14.176 7.929 1.00 5.68 H new ATOM 0 HB3 LYS A 22 16.751 13.663 6.344 1.00 5.68 H new ATOM 0 HG2 LYS A 22 15.843 15.607 5.282 1.00 6.44 H new ATOM 0 HG3 LYS A 22 14.889 16.030 6.690 1.00 6.44 H new ATOM 0 HD2 LYS A 22 16.858 17.487 6.520 1.00 7.32 H new ATOM 0 HD3 LYS A 22 16.942 16.513 7.974 1.00 7.32 H new ATOM 0 HE2 LYS A 22 18.471 14.922 6.822 1.00 8.19 H new ATOM 0 HE3 LYS A 22 18.386 15.893 5.366 1.00 8.19 H new ATOM 0 HZ1 LYS A 22 20.361 16.406 6.646 1.00 8.70 H new ATOM 0 HZ2 LYS A 22 19.340 17.761 6.589 1.00 8.70 H new ATOM 0 HZ3 LYS A 22 19.423 16.820 7.999 1.00 8.70 H new ATOM 381 N GLY A 23 15.120 12.882 4.357 1.00 4.88 N ATOM 382 CA GLY A 23 14.813 12.848 2.944 1.00 5.26 C ATOM 383 C GLY A 23 15.956 12.305 2.114 1.00 5.25 C ATOM 384 O GLY A 23 16.431 11.196 2.360 1.00 5.67 O ATOM 0 H GLY A 23 16.044 12.530 4.606 1.00 4.88 H new ATOM 0 HA2 GLY A 23 13.928 12.233 2.783 1.00 5.26 H new ATOM 0 HA3 GLY A 23 14.568 13.854 2.605 1.00 5.26 H new ATOM 388 N HIS A 24 16.401 13.100 1.141 1.00 5.15 N ATOM 389 CA HIS A 24 17.446 12.684 0.204 1.00 5.44 C ATOM 390 C HIS A 24 16.987 11.473 -0.594 1.00 4.99 C ATOM 391 O HIS A 24 17.775 10.573 -0.897 1.00 5.43 O ATOM 392 CB HIS A 24 18.762 12.372 0.927 1.00 6.29 C ATOM 393 CG HIS A 24 19.431 13.578 1.504 1.00 6.92 C ATOM 394 ND1 HIS A 24 19.585 13.773 2.856 1.00 7.55 N ATOM 395 CD2 HIS A 24 20.000 14.648 0.903 1.00 7.35 C ATOM 396 CE1 HIS A 24 20.216 14.911 3.063 1.00 8.27 C ATOM 397 NE2 HIS A 24 20.482 15.461 1.896 1.00 8.17 N ATOM 0 H HIS A 24 16.051 14.044 0.980 1.00 5.15 H new ATOM 0 HA HIS A 24 17.629 13.515 -0.478 1.00 5.44 H new ATOM 0 HB2 HIS A 24 18.566 11.658 1.727 1.00 6.29 H new ATOM 0 HB3 HIS A 24 19.444 11.888 0.228 1.00 6.29 H new ATOM 0 HD2 HIS A 24 20.063 14.828 -0.160 1.00 7.35 H new ATOM 0 HE1 HIS A 24 20.472 15.324 4.028 1.00 8.27 H new ATOM 0 HE2 HIS A 24 20.967 16.347 1.754 1.00 8.17 H new ATOM 406 N PHE A 25 15.710 11.472 -0.949 1.00 4.48 N ATOM 407 CA PHE A 25 15.112 10.361 -1.675 1.00 4.32 C ATOM 408 C PHE A 25 15.404 10.463 -3.169 1.00 3.71 C ATOM 409 O PHE A 25 14.500 10.491 -3.999 1.00 3.95 O ATOM 410 CB PHE A 25 13.599 10.288 -1.407 1.00 4.90 C ATOM 411 CG PHE A 25 12.895 11.621 -1.408 1.00 5.62 C ATOM 412 CD1 PHE A 25 12.363 12.145 -2.576 1.00 6.16 C ATOM 413 CD2 PHE A 25 12.756 12.343 -0.233 1.00 6.16 C ATOM 414 CE1 PHE A 25 11.711 13.362 -2.572 1.00 7.09 C ATOM 415 CE2 PHE A 25 12.105 13.560 -0.223 1.00 7.08 C ATOM 416 CZ PHE A 25 11.582 14.071 -1.395 1.00 7.50 C ATOM 0 H PHE A 25 15.064 12.234 -0.744 1.00 4.48 H new ATOM 0 HA PHE A 25 15.562 9.437 -1.313 1.00 4.32 H new ATOM 0 HB2 PHE A 25 13.140 9.649 -2.162 1.00 4.90 H new ATOM 0 HB3 PHE A 25 13.437 9.808 -0.442 1.00 4.90 H new ATOM 0 HD1 PHE A 25 12.460 11.595 -3.500 1.00 6.16 H new ATOM 0 HD2 PHE A 25 13.162 11.948 0.686 1.00 6.16 H new ATOM 0 HE1 PHE A 25 11.302 13.759 -3.489 1.00 7.09 H new ATOM 0 HE2 PHE A 25 12.005 14.112 0.700 1.00 7.08 H new ATOM 0 HZ PHE A 25 11.073 15.024 -1.390 1.00 7.50 H new ATOM 426 N ASP A 26 16.684 10.522 -3.499 1.00 3.49 N ATOM 427 CA ASP A 26 17.114 10.621 -4.885 1.00 3.48 C ATOM 428 C ASP A 26 17.710 9.301 -5.357 1.00 3.05 C ATOM 429 O ASP A 26 17.406 8.830 -6.451 1.00 3.62 O ATOM 430 CB ASP A 26 18.133 11.750 -5.047 1.00 4.39 C ATOM 431 CG ASP A 26 18.562 11.948 -6.488 1.00 5.09 C ATOM 432 OD1 ASP A 26 17.807 12.582 -7.255 1.00 5.62 O ATOM 433 OD2 ASP A 26 19.662 11.483 -6.857 1.00 5.48 O ATOM 0 H ASP A 26 17.447 10.503 -2.822 1.00 3.49 H new ATOM 0 HA ASP A 26 16.242 10.846 -5.500 1.00 3.48 H new ATOM 0 HB2 ASP A 26 17.704 12.678 -4.669 1.00 4.39 H new ATOM 0 HB3 ASP A 26 19.010 11.533 -4.438 1.00 4.39 H new ATOM 438 N THR A 27 18.560 8.707 -4.527 1.00 2.55 N ATOM 439 CA THR A 27 19.157 7.424 -4.856 1.00 2.52 C ATOM 440 C THR A 27 18.251 6.283 -4.397 1.00 1.71 C ATOM 441 O THR A 27 17.498 5.736 -5.197 1.00 2.29 O ATOM 442 CB THR A 27 20.549 7.266 -4.215 1.00 3.34 C ATOM 443 OG1 THR A 27 21.228 8.525 -4.225 1.00 3.84 O ATOM 444 CG2 THR A 27 21.377 6.240 -4.976 1.00 3.94 C ATOM 0 H THR A 27 18.848 9.093 -3.628 1.00 2.55 H new ATOM 0 HA THR A 27 19.272 7.385 -5.939 1.00 2.52 H new ATOM 0 HB THR A 27 20.421 6.923 -3.188 1.00 3.34 H new ATOM 0 HG1 THR A 27 22.112 8.423 -3.815 1.00 3.84 H new ATOM 0 HG21 THR A 27 22.356 6.143 -4.508 1.00 3.94 H new ATOM 0 HG22 THR A 27 20.869 5.276 -4.957 1.00 3.94 H new ATOM 0 HG23 THR A 27 21.500 6.565 -6.009 1.00 3.94 H new ATOM 452 N LEU A 28 18.323 5.955 -3.100 1.00 1.14 N ATOM 453 CA LEU A 28 17.487 4.909 -2.500 1.00 0.90 C ATOM 454 C LEU A 28 17.445 3.662 -3.375 1.00 0.71 C ATOM 455 O LEU A 28 16.383 3.218 -3.812 1.00 0.76 O ATOM 456 CB LEU A 28 16.071 5.432 -2.235 1.00 1.66 C ATOM 457 CG LEU A 28 15.890 6.219 -0.930 1.00 2.02 C ATOM 458 CD1 LEU A 28 16.855 7.389 -0.851 1.00 2.91 C ATOM 459 CD2 LEU A 28 14.460 6.710 -0.806 1.00 2.37 C ATOM 0 H LEU A 28 18.959 6.405 -2.441 1.00 1.14 H new ATOM 0 HA LEU A 28 17.936 4.631 -1.546 1.00 0.90 H new ATOM 0 HB2 LEU A 28 15.777 6.071 -3.068 1.00 1.66 H new ATOM 0 HB3 LEU A 28 15.385 4.585 -2.226 1.00 1.66 H new ATOM 0 HG LEU A 28 16.109 5.546 -0.101 1.00 2.02 H new ATOM 0 HD11 LEU A 28 16.701 7.925 0.085 1.00 2.91 H new ATOM 0 HD12 LEU A 28 17.879 7.019 -0.893 1.00 2.91 H new ATOM 0 HD13 LEU A 28 16.678 8.063 -1.689 1.00 2.91 H new ATOM 0 HD21 LEU A 28 14.346 7.267 0.124 1.00 2.37 H new ATOM 0 HD22 LEU A 28 14.224 7.360 -1.649 1.00 2.37 H new ATOM 0 HD23 LEU A 28 13.781 5.857 -0.804 1.00 2.37 H new ATOM 471 N SER A 29 18.615 3.108 -3.632 1.00 0.61 N ATOM 472 CA SER A 29 18.732 1.960 -4.503 1.00 0.49 C ATOM 473 C SER A 29 18.399 0.665 -3.767 1.00 0.44 C ATOM 474 O SER A 29 17.908 0.699 -2.635 1.00 0.53 O ATOM 475 CB SER A 29 20.129 1.897 -5.099 1.00 0.55 C ATOM 476 OG SER A 29 20.467 3.124 -5.725 1.00 1.35 O ATOM 0 H SER A 29 19.500 3.438 -3.247 1.00 0.61 H new ATOM 0 HA SER A 29 18.009 2.072 -5.311 1.00 0.49 H new ATOM 0 HB2 SER A 29 20.853 1.672 -4.316 1.00 0.55 H new ATOM 0 HB3 SER A 29 20.183 1.086 -5.826 1.00 0.55 H new ATOM 0 HG SER A 29 19.870 3.278 -6.486 1.00 1.35 H new ATOM 482 N LYS A 30 18.660 -0.469 -4.411 1.00 0.38 N ATOM 483 CA LYS A 30 18.246 -1.769 -3.889 1.00 0.36 C ATOM 484 C LYS A 30 18.746 -1.991 -2.462 1.00 0.36 C ATOM 485 O LYS A 30 18.085 -2.652 -1.676 1.00 0.37 O ATOM 486 CB LYS A 30 18.760 -2.893 -4.784 1.00 0.39 C ATOM 487 CG LYS A 30 17.908 -4.154 -4.735 1.00 0.41 C ATOM 488 CD LYS A 30 18.581 -5.327 -5.435 1.00 0.50 C ATOM 489 CE LYS A 30 19.290 -4.894 -6.713 1.00 0.52 C ATOM 490 NZ LYS A 30 19.880 -6.036 -7.458 1.00 1.32 N ATOM 0 H LYS A 30 19.159 -0.514 -5.300 1.00 0.38 H new ATOM 0 HA LYS A 30 17.156 -1.778 -3.877 1.00 0.36 H new ATOM 0 HB2 LYS A 30 18.804 -2.535 -5.813 1.00 0.39 H new ATOM 0 HB3 LYS A 30 19.779 -3.142 -4.489 1.00 0.39 H new ATOM 0 HG2 LYS A 30 17.710 -4.417 -3.696 1.00 0.41 H new ATOM 0 HG3 LYS A 30 16.943 -3.958 -5.203 1.00 0.41 H new ATOM 0 HD2 LYS A 30 19.301 -5.789 -4.759 1.00 0.50 H new ATOM 0 HD3 LYS A 30 17.835 -6.085 -5.673 1.00 0.50 H new ATOM 0 HE2 LYS A 30 18.582 -4.372 -7.357 1.00 0.52 H new ATOM 0 HE3 LYS A 30 20.078 -4.183 -6.463 1.00 0.52 H new ATOM 0 HZ1 LYS A 30 20.378 -5.681 -8.299 1.00 1.32 H new ATOM 0 HZ2 LYS A 30 20.552 -6.541 -6.845 1.00 1.32 H new ATOM 0 HZ3 LYS A 30 19.124 -6.687 -7.752 1.00 1.32 H new ATOM 504 N GLY A 31 19.907 -1.431 -2.137 1.00 0.39 N ATOM 505 CA GLY A 31 20.481 -1.602 -0.812 1.00 0.40 C ATOM 506 C GLY A 31 19.566 -1.129 0.299 1.00 0.38 C ATOM 507 O GLY A 31 19.389 -1.816 1.308 1.00 0.39 O ATOM 0 H GLY A 31 20.464 -0.858 -2.771 1.00 0.39 H new ATOM 0 HA2 GLY A 31 20.715 -2.655 -0.658 1.00 0.40 H new ATOM 0 HA3 GLY A 31 21.422 -1.055 -0.757 1.00 0.40 H new ATOM 511 N GLU A 32 18.978 0.038 0.108 1.00 0.44 N ATOM 512 CA GLU A 32 18.106 0.626 1.111 1.00 0.50 C ATOM 513 C GLU A 32 16.836 -0.197 1.248 1.00 0.42 C ATOM 514 O GLU A 32 16.374 -0.486 2.354 1.00 0.44 O ATOM 515 CB GLU A 32 17.743 2.050 0.719 1.00 0.67 C ATOM 516 CG GLU A 32 18.940 2.922 0.380 1.00 0.96 C ATOM 517 CD GLU A 32 19.970 2.979 1.486 1.00 1.58 C ATOM 518 OE1 GLU A 32 19.704 3.619 2.524 1.00 2.10 O ATOM 519 OE2 GLU A 32 21.056 2.387 1.315 1.00 2.44 O ATOM 0 H GLU A 32 19.089 0.600 -0.736 1.00 0.44 H new ATOM 0 HA GLU A 32 18.634 0.637 2.065 1.00 0.50 H new ATOM 0 HB2 GLU A 32 17.073 2.020 -0.141 1.00 0.67 H new ATOM 0 HB3 GLU A 32 17.190 2.512 1.537 1.00 0.67 H new ATOM 0 HG2 GLU A 32 19.411 2.544 -0.527 1.00 0.96 H new ATOM 0 HG3 GLU A 32 18.595 3.933 0.162 1.00 0.96 H new ATOM 526 N LEU A 33 16.289 -0.580 0.105 1.00 0.38 N ATOM 527 CA LEU A 33 15.075 -1.366 0.055 1.00 0.34 C ATOM 528 C LEU A 33 15.313 -2.731 0.681 1.00 0.29 C ATOM 529 O LEU A 33 14.503 -3.210 1.465 1.00 0.32 O ATOM 530 CB LEU A 33 14.626 -1.521 -1.396 1.00 0.34 C ATOM 531 CG LEU A 33 13.231 -2.118 -1.589 1.00 0.39 C ATOM 532 CD1 LEU A 33 12.157 -1.158 -1.093 1.00 0.52 C ATOM 533 CD2 LEU A 33 12.999 -2.476 -3.048 1.00 0.46 C ATOM 0 H LEU A 33 16.677 -0.353 -0.811 1.00 0.38 H new ATOM 0 HA LEU A 33 14.292 -0.857 0.618 1.00 0.34 H new ATOM 0 HB2 LEU A 33 14.653 -0.542 -1.874 1.00 0.34 H new ATOM 0 HB3 LEU A 33 15.348 -2.150 -1.917 1.00 0.34 H new ATOM 0 HG LEU A 33 13.168 -3.031 -0.998 1.00 0.39 H new ATOM 0 HD11 LEU A 33 11.174 -1.604 -1.241 1.00 0.52 H new ATOM 0 HD12 LEU A 33 12.309 -0.958 -0.032 1.00 0.52 H new ATOM 0 HD13 LEU A 33 12.219 -0.223 -1.651 1.00 0.52 H new ATOM 0 HD21 LEU A 33 12.001 -2.899 -3.165 1.00 0.46 H new ATOM 0 HD22 LEU A 33 13.087 -1.579 -3.661 1.00 0.46 H new ATOM 0 HD23 LEU A 33 13.742 -3.207 -3.366 1.00 0.46 H new ATOM 545 N LYS A 34 16.453 -3.330 0.358 1.00 0.29 N ATOM 546 CA LYS A 34 16.780 -4.668 0.821 1.00 0.31 C ATOM 547 C LYS A 34 16.928 -4.682 2.338 1.00 0.35 C ATOM 548 O LYS A 34 16.630 -5.684 2.982 1.00 0.41 O ATOM 549 CB LYS A 34 18.048 -5.195 0.112 1.00 0.34 C ATOM 550 CG LYS A 34 19.377 -4.779 0.731 1.00 0.53 C ATOM 551 CD LYS A 34 19.877 -5.805 1.739 1.00 0.85 C ATOM 552 CE LYS A 34 21.285 -5.484 2.215 1.00 1.30 C ATOM 553 NZ LYS A 34 21.350 -4.201 2.961 1.00 1.87 N ATOM 0 H LYS A 34 17.171 -2.903 -0.228 1.00 0.29 H new ATOM 0 HA LYS A 34 15.962 -5.342 0.564 1.00 0.31 H new ATOM 0 HB2 LYS A 34 18.004 -6.284 0.092 1.00 0.34 H new ATOM 0 HB3 LYS A 34 18.029 -4.856 -0.924 1.00 0.34 H new ATOM 0 HG2 LYS A 34 20.120 -4.651 -0.056 1.00 0.53 H new ATOM 0 HG3 LYS A 34 19.263 -3.813 1.222 1.00 0.53 H new ATOM 0 HD2 LYS A 34 19.201 -5.835 2.594 1.00 0.85 H new ATOM 0 HD3 LYS A 34 19.863 -6.797 1.287 1.00 0.85 H new ATOM 0 HE2 LYS A 34 21.643 -6.291 2.854 1.00 1.30 H new ATOM 0 HE3 LYS A 34 21.954 -5.436 1.356 1.00 1.30 H new ATOM 0 HZ1 LYS A 34 22.339 -3.992 3.206 1.00 1.87 H new ATOM 0 HZ2 LYS A 34 20.970 -3.435 2.368 1.00 1.87 H new ATOM 0 HZ3 LYS A 34 20.786 -4.277 3.832 1.00 1.87 H new ATOM 567 N GLN A 35 17.379 -3.564 2.908 1.00 0.35 N ATOM 568 CA GLN A 35 17.405 -3.418 4.354 1.00 0.43 C ATOM 569 C GLN A 35 15.994 -3.510 4.896 1.00 0.43 C ATOM 570 O GLN A 35 15.663 -4.465 5.591 1.00 0.50 O ATOM 571 CB GLN A 35 18.037 -2.088 4.768 1.00 0.50 C ATOM 572 CG GLN A 35 19.549 -2.138 4.836 1.00 1.07 C ATOM 573 CD GLN A 35 20.171 -0.786 5.123 1.00 1.68 C ATOM 574 OE1 GLN A 35 20.487 -0.027 4.208 1.00 2.46 O ATOM 575 NE2 GLN A 35 20.360 -0.480 6.396 1.00 2.07 N ATOM 0 H GLN A 35 17.727 -2.756 2.392 1.00 0.35 H new ATOM 0 HA GLN A 35 18.013 -4.221 4.769 1.00 0.43 H new ATOM 0 HB2 GLN A 35 17.738 -1.315 4.060 1.00 0.50 H new ATOM 0 HB3 GLN A 35 17.646 -1.796 5.743 1.00 0.50 H new ATOM 0 HG2 GLN A 35 19.850 -2.843 5.611 1.00 1.07 H new ATOM 0 HG3 GLN A 35 19.938 -2.518 3.891 1.00 1.07 H new ATOM 0 HE21 GLN A 35 20.084 -1.138 7.125 1.00 2.07 H new ATOM 0 HE22 GLN A 35 20.782 0.414 6.648 1.00 2.07 H new ATOM 584 N LEU A 36 15.158 -2.549 4.507 1.00 0.38 N ATOM 585 CA LEU A 36 13.773 -2.487 4.951 1.00 0.39 C ATOM 586 C LEU A 36 13.091 -3.842 4.785 1.00 0.38 C ATOM 587 O LEU A 36 12.460 -4.351 5.692 1.00 0.45 O ATOM 588 CB LEU A 36 13.027 -1.419 4.147 1.00 0.36 C ATOM 589 CG LEU A 36 11.555 -1.213 4.514 1.00 0.40 C ATOM 590 CD1 LEU A 36 11.154 0.218 4.237 1.00 0.45 C ATOM 591 CD2 LEU A 36 10.660 -2.157 3.727 1.00 0.40 C ATOM 0 H LEU A 36 15.425 -1.794 3.876 1.00 0.38 H new ATOM 0 HA LEU A 36 13.754 -2.225 6.009 1.00 0.39 H new ATOM 0 HB2 LEU A 36 13.548 -0.470 4.269 1.00 0.36 H new ATOM 0 HB3 LEU A 36 13.085 -1.681 3.090 1.00 0.36 H new ATOM 0 HG LEU A 36 11.434 -1.429 5.576 1.00 0.40 H new ATOM 0 HD11 LEU A 36 10.106 0.359 4.500 1.00 0.45 H new ATOM 0 HD12 LEU A 36 11.771 0.891 4.832 1.00 0.45 H new ATOM 0 HD13 LEU A 36 11.295 0.437 3.179 1.00 0.45 H new ATOM 0 HD21 LEU A 36 9.620 -1.990 4.007 1.00 0.40 H new ATOM 0 HD22 LEU A 36 10.783 -1.971 2.660 1.00 0.40 H new ATOM 0 HD23 LEU A 36 10.934 -3.188 3.949 1.00 0.40 H new ATOM 603 N LEU A 37 13.251 -4.425 3.620 1.00 0.34 N ATOM 604 CA LEU A 37 12.571 -5.662 3.280 1.00 0.35 C ATOM 605 C LEU A 37 12.988 -6.836 4.161 1.00 0.41 C ATOM 606 O LEU A 37 12.138 -7.496 4.757 1.00 0.45 O ATOM 607 CB LEU A 37 12.821 -5.982 1.816 1.00 0.34 C ATOM 608 CG LEU A 37 12.249 -4.953 0.849 1.00 0.30 C ATOM 609 CD1 LEU A 37 12.580 -5.311 -0.586 1.00 0.38 C ATOM 610 CD2 LEU A 37 10.751 -4.826 1.050 1.00 0.32 C ATOM 0 H LEU A 37 13.852 -4.061 2.881 1.00 0.34 H new ATOM 0 HA LEU A 37 11.506 -5.512 3.459 1.00 0.35 H new ATOM 0 HB2 LEU A 37 13.895 -6.062 1.651 1.00 0.34 H new ATOM 0 HB3 LEU A 37 12.390 -6.957 1.589 1.00 0.34 H new ATOM 0 HG LEU A 37 12.708 -3.987 1.059 1.00 0.30 H new ATOM 0 HD11 LEU A 37 12.160 -4.560 -1.255 1.00 0.38 H new ATOM 0 HD12 LEU A 37 13.662 -5.344 -0.712 1.00 0.38 H new ATOM 0 HD13 LEU A 37 12.157 -6.287 -0.825 1.00 0.38 H new ATOM 0 HD21 LEU A 37 10.352 -4.088 0.354 1.00 0.32 H new ATOM 0 HD22 LEU A 37 10.276 -5.790 0.868 1.00 0.32 H new ATOM 0 HD23 LEU A 37 10.547 -4.508 2.072 1.00 0.32 H new ATOM 622 N THR A 38 14.284 -7.091 4.251 1.00 0.45 N ATOM 623 CA THR A 38 14.775 -8.267 4.953 1.00 0.53 C ATOM 624 C THR A 38 14.490 -8.198 6.449 1.00 0.59 C ATOM 625 O THR A 38 14.270 -9.225 7.095 1.00 0.66 O ATOM 626 CB THR A 38 16.289 -8.461 4.739 1.00 0.55 C ATOM 627 OG1 THR A 38 16.991 -7.257 5.066 1.00 1.23 O ATOM 628 CG2 THR A 38 16.591 -8.848 3.304 1.00 1.03 C ATOM 0 H THR A 38 15.013 -6.502 3.848 1.00 0.45 H new ATOM 0 HA THR A 38 14.240 -9.118 4.532 1.00 0.53 H new ATOM 0 HB THR A 38 16.620 -9.267 5.394 1.00 0.55 H new ATOM 0 HG1 THR A 38 16.998 -6.661 4.288 1.00 1.23 H new ATOM 0 HG21 THR A 38 17.666 -8.979 3.181 1.00 1.03 H new ATOM 0 HG22 THR A 38 16.082 -9.782 3.064 1.00 1.03 H new ATOM 0 HG23 THR A 38 16.242 -8.062 2.634 1.00 1.03 H new ATOM 636 N LYS A 39 14.500 -6.995 7.003 1.00 0.58 N ATOM 637 CA LYS A 39 14.329 -6.836 8.437 1.00 0.66 C ATOM 638 C LYS A 39 12.885 -6.526 8.827 1.00 0.64 C ATOM 639 O LYS A 39 12.411 -6.995 9.861 1.00 0.72 O ATOM 640 CB LYS A 39 15.275 -5.767 8.982 1.00 0.72 C ATOM 641 CG LYS A 39 15.083 -4.401 8.355 1.00 0.68 C ATOM 642 CD LYS A 39 16.284 -3.491 8.581 1.00 0.73 C ATOM 643 CE LYS A 39 16.468 -3.170 10.057 1.00 0.87 C ATOM 644 NZ LYS A 39 15.280 -2.473 10.628 1.00 1.61 N ATOM 0 H LYS A 39 14.623 -6.124 6.487 1.00 0.58 H new ATOM 0 HA LYS A 39 14.581 -7.795 8.890 1.00 0.66 H new ATOM 0 HB2 LYS A 39 15.133 -5.685 10.060 1.00 0.72 H new ATOM 0 HB3 LYS A 39 16.304 -6.089 8.820 1.00 0.72 H new ATOM 0 HG2 LYS A 39 14.912 -4.515 7.285 1.00 0.68 H new ATOM 0 HG3 LYS A 39 14.191 -3.933 8.772 1.00 0.68 H new ATOM 0 HD2 LYS A 39 17.184 -3.972 8.197 1.00 0.73 H new ATOM 0 HD3 LYS A 39 16.152 -2.566 8.020 1.00 0.73 H new ATOM 0 HE2 LYS A 39 16.648 -4.092 10.609 1.00 0.87 H new ATOM 0 HE3 LYS A 39 17.352 -2.545 10.185 1.00 0.87 H new ATOM 0 HZ1 LYS A 39 15.518 -2.093 11.566 1.00 1.61 H new ATOM 0 HZ2 LYS A 39 15.000 -1.693 10.000 1.00 1.61 H new ATOM 0 HZ3 LYS A 39 14.492 -3.146 10.717 1.00 1.61 H new ATOM 658 N GLU A 40 12.177 -5.763 8.000 1.00 0.57 N ATOM 659 CA GLU A 40 10.861 -5.268 8.388 1.00 0.58 C ATOM 660 C GLU A 40 9.759 -6.174 7.851 1.00 0.56 C ATOM 661 O GLU A 40 8.819 -6.519 8.561 1.00 0.64 O ATOM 662 CB GLU A 40 10.645 -3.831 7.885 1.00 0.58 C ATOM 663 CG GLU A 40 11.724 -2.842 8.316 1.00 0.87 C ATOM 664 CD GLU A 40 11.912 -2.758 9.819 1.00 1.14 C ATOM 665 OE1 GLU A 40 11.209 -1.955 10.464 1.00 1.67 O ATOM 666 OE2 GLU A 40 12.797 -3.461 10.357 1.00 1.63 O ATOM 0 H GLU A 40 12.486 -5.477 7.071 1.00 0.57 H new ATOM 0 HA GLU A 40 10.816 -5.269 9.477 1.00 0.58 H new ATOM 0 HB2 GLU A 40 10.596 -3.844 6.796 1.00 0.58 H new ATOM 0 HB3 GLU A 40 9.679 -3.475 8.244 1.00 0.58 H new ATOM 0 HG2 GLU A 40 12.670 -3.128 7.856 1.00 0.87 H new ATOM 0 HG3 GLU A 40 11.470 -1.853 7.935 1.00 0.87 H new ATOM 673 N LEU A 41 9.886 -6.588 6.602 1.00 0.50 N ATOM 674 CA LEU A 41 8.834 -7.364 5.964 1.00 0.49 C ATOM 675 C LEU A 41 9.260 -8.821 5.867 1.00 0.52 C ATOM 676 O LEU A 41 8.806 -9.565 4.991 1.00 0.53 O ATOM 677 CB LEU A 41 8.518 -6.801 4.573 1.00 0.43 C ATOM 678 CG LEU A 41 8.392 -5.274 4.496 1.00 0.51 C ATOM 679 CD1 LEU A 41 7.878 -4.852 3.130 1.00 1.22 C ATOM 680 CD2 LEU A 41 7.488 -4.738 5.598 1.00 1.42 C ATOM 0 H LEU A 41 10.698 -6.403 6.013 1.00 0.50 H new ATOM 0 HA LEU A 41 7.929 -7.299 6.568 1.00 0.49 H new ATOM 0 HB2 LEU A 41 9.300 -7.120 3.884 1.00 0.43 H new ATOM 0 HB3 LEU A 41 7.585 -7.244 4.223 1.00 0.43 H new ATOM 0 HG LEU A 41 9.384 -4.847 4.642 1.00 0.51 H new ATOM 0 HD11 LEU A 41 7.794 -3.766 3.092 1.00 1.22 H new ATOM 0 HD12 LEU A 41 8.572 -5.190 2.360 1.00 1.22 H new ATOM 0 HD13 LEU A 41 6.898 -5.297 2.956 1.00 1.22 H new ATOM 0 HD21 LEU A 41 7.419 -3.653 5.517 1.00 1.42 H new ATOM 0 HD22 LEU A 41 6.494 -5.174 5.497 1.00 1.42 H new ATOM 0 HD23 LEU A 41 7.903 -5.003 6.570 1.00 1.42 H new ATOM 692 N ALA A 42 10.134 -9.205 6.797 1.00 0.58 N ATOM 693 CA ALA A 42 10.751 -10.530 6.824 1.00 0.64 C ATOM 694 C ALA A 42 9.746 -11.671 6.671 1.00 0.71 C ATOM 695 O ALA A 42 10.031 -12.658 5.991 1.00 0.78 O ATOM 696 CB ALA A 42 11.542 -10.708 8.108 1.00 0.71 C ATOM 0 H ALA A 42 10.436 -8.599 7.560 1.00 0.58 H new ATOM 0 HA ALA A 42 11.415 -10.580 5.961 1.00 0.64 H new ATOM 0 HB1 ALA A 42 11.998 -11.698 8.120 1.00 0.71 H new ATOM 0 HB2 ALA A 42 12.322 -9.948 8.163 1.00 0.71 H new ATOM 0 HB3 ALA A 42 10.875 -10.606 8.964 1.00 0.71 H new ATOM 702 N ASN A 43 8.578 -11.546 7.283 1.00 0.74 N ATOM 703 CA ASN A 43 7.613 -12.639 7.266 1.00 0.83 C ATOM 704 C ASN A 43 6.345 -12.249 6.508 1.00 0.83 C ATOM 705 O ASN A 43 5.304 -12.887 6.650 1.00 1.07 O ATOM 706 CB ASN A 43 7.266 -13.064 8.698 1.00 0.99 C ATOM 707 CG ASN A 43 6.567 -14.414 8.770 1.00 1.28 C ATOM 708 OD1 ASN A 43 6.939 -15.335 7.891 1.00 1.56 O flip ATOM 709 ND2 ASN A 43 5.718 -14.639 9.633 1.00 2.16 N flip ATOM 0 H ASN A 43 8.277 -10.714 7.790 1.00 0.74 H new ATOM 0 HA ASN A 43 8.069 -13.481 6.746 1.00 0.83 H new ATOM 0 HB2 ASN A 43 8.180 -13.104 9.290 1.00 0.99 H new ATOM 0 HB3 ASN A 43 6.626 -12.306 9.150 1.00 0.99 H new ATOM 0 HD21 ASN A 43 5.456 -13.907 10.293 1.00 2.16 H new ATOM 0 HD22 ASN A 43 5.277 -15.557 9.688 1.00 2.16 H new ATOM 716 N THR A 44 6.433 -11.216 5.685 1.00 0.65 N ATOM 717 CA THR A 44 5.276 -10.782 4.919 1.00 0.61 C ATOM 718 C THR A 44 5.402 -11.242 3.478 1.00 0.59 C ATOM 719 O THR A 44 4.522 -11.910 2.939 1.00 0.66 O ATOM 720 CB THR A 44 5.127 -9.253 4.931 1.00 0.56 C ATOM 721 OG1 THR A 44 5.523 -8.724 6.202 1.00 0.65 O ATOM 722 CG2 THR A 44 3.686 -8.863 4.639 1.00 0.53 C ATOM 0 H THR A 44 7.280 -10.669 5.531 1.00 0.65 H new ATOM 0 HA THR A 44 4.396 -11.225 5.386 1.00 0.61 H new ATOM 0 HB THR A 44 5.773 -8.837 4.158 1.00 0.56 H new ATOM 0 HG1 THR A 44 5.317 -9.374 6.906 1.00 0.65 H new ATOM 0 HG21 THR A 44 3.594 -7.777 4.650 1.00 0.53 H new ATOM 0 HG22 THR A 44 3.398 -9.241 3.658 1.00 0.53 H new ATOM 0 HG23 THR A 44 3.032 -9.291 5.399 1.00 0.53 H new ATOM 730 N ILE A 45 6.518 -10.887 2.871 1.00 0.52 N ATOM 731 CA ILE A 45 6.777 -11.202 1.482 1.00 0.52 C ATOM 732 C ILE A 45 7.526 -12.531 1.383 1.00 0.59 C ATOM 733 O ILE A 45 8.353 -12.840 2.249 1.00 0.60 O ATOM 734 CB ILE A 45 7.603 -10.073 0.840 1.00 0.43 C ATOM 735 CG1 ILE A 45 6.887 -8.722 1.013 1.00 0.39 C ATOM 736 CG2 ILE A 45 7.851 -10.363 -0.634 1.00 0.47 C ATOM 737 CD1 ILE A 45 7.644 -7.552 0.418 1.00 0.36 C ATOM 0 H ILE A 45 7.270 -10.372 3.328 1.00 0.52 H new ATOM 0 HA ILE A 45 5.831 -11.293 0.949 1.00 0.52 H new ATOM 0 HB ILE A 45 8.568 -10.020 1.344 1.00 0.43 H new ATOM 0 HG12 ILE A 45 5.902 -8.780 0.549 1.00 0.39 H new ATOM 0 HG13 ILE A 45 6.728 -8.538 2.076 1.00 0.39 H new ATOM 0 HG21 ILE A 45 8.436 -9.554 -1.071 1.00 0.47 H new ATOM 0 HG22 ILE A 45 8.398 -11.301 -0.733 1.00 0.47 H new ATOM 0 HG23 ILE A 45 6.897 -10.442 -1.155 1.00 0.47 H new ATOM 0 HD11 ILE A 45 7.079 -6.634 0.578 1.00 0.36 H new ATOM 0 HD12 ILE A 45 8.619 -7.467 0.899 1.00 0.36 H new ATOM 0 HD13 ILE A 45 7.780 -7.713 -0.651 1.00 0.36 H new ATOM 749 N LYS A 46 7.228 -13.327 0.350 1.00 0.67 N ATOM 750 CA LYS A 46 7.831 -14.648 0.214 1.00 0.73 C ATOM 751 C LYS A 46 9.342 -14.526 0.105 1.00 0.68 C ATOM 752 O LYS A 46 9.851 -13.799 -0.747 1.00 0.63 O ATOM 753 CB LYS A 46 7.251 -15.415 -0.996 1.00 0.82 C ATOM 754 CG LYS A 46 7.979 -15.212 -2.323 1.00 0.79 C ATOM 755 CD LYS A 46 9.089 -16.240 -2.521 1.00 0.75 C ATOM 756 CE LYS A 46 9.736 -16.095 -3.886 1.00 0.88 C ATOM 757 NZ LYS A 46 10.771 -17.135 -4.129 1.00 1.61 N ATOM 0 H LYS A 46 6.578 -13.078 -0.396 1.00 0.67 H new ATOM 0 HA LYS A 46 7.590 -15.223 1.108 1.00 0.73 H new ATOM 0 HB2 LYS A 46 7.252 -16.480 -0.762 1.00 0.82 H new ATOM 0 HB3 LYS A 46 6.210 -15.118 -1.125 1.00 0.82 H new ATOM 0 HG2 LYS A 46 7.266 -15.284 -3.144 1.00 0.79 H new ATOM 0 HG3 LYS A 46 8.403 -14.208 -2.356 1.00 0.79 H new ATOM 0 HD2 LYS A 46 9.843 -16.118 -1.744 1.00 0.75 H new ATOM 0 HD3 LYS A 46 8.680 -17.245 -2.414 1.00 0.75 H new ATOM 0 HE2 LYS A 46 8.970 -16.160 -4.658 1.00 0.88 H new ATOM 0 HE3 LYS A 46 10.189 -15.107 -3.969 1.00 0.88 H new ATOM 0 HZ1 LYS A 46 11.186 -16.998 -5.073 1.00 1.61 H new ATOM 0 HZ2 LYS A 46 11.517 -17.058 -3.408 1.00 1.61 H new ATOM 0 HZ3 LYS A 46 10.335 -18.078 -4.077 1.00 1.61 H new ATOM 771 N ASN A 47 10.039 -15.211 1.008 1.00 0.71 N ATOM 772 CA ASN A 47 11.500 -15.255 1.014 1.00 0.67 C ATOM 773 C ASN A 47 12.107 -13.890 0.754 1.00 0.59 C ATOM 774 O ASN A 47 13.047 -13.758 -0.025 1.00 0.57 O ATOM 775 CB ASN A 47 12.023 -16.242 -0.021 1.00 0.69 C ATOM 776 CG ASN A 47 11.822 -17.690 0.382 1.00 0.92 C ATOM 777 OD1 ASN A 47 10.854 -18.036 1.064 1.00 1.48 O ATOM 778 ND2 ASN A 47 12.741 -18.545 -0.029 1.00 1.24 N ATOM 0 H ASN A 47 9.607 -15.752 1.757 1.00 0.71 H new ATOM 0 HA ASN A 47 11.798 -15.584 2.010 1.00 0.67 H new ATOM 0 HB2 ASN A 47 11.521 -16.063 -0.972 1.00 0.69 H new ATOM 0 HB3 ASN A 47 13.086 -16.060 -0.183 1.00 0.69 H new ATOM 0 HD21 ASN A 47 12.665 -19.532 0.216 1.00 1.24 H new ATOM 0 HD22 ASN A 47 13.526 -18.218 -0.592 1.00 1.24 H new ATOM 785 N ILE A 48 11.568 -12.882 1.422 1.00 0.55 N ATOM 786 CA ILE A 48 12.030 -11.504 1.277 1.00 0.48 C ATOM 787 C ILE A 48 13.503 -11.366 1.681 1.00 0.48 C ATOM 788 O ILE A 48 14.117 -10.312 1.540 1.00 0.43 O ATOM 789 CB ILE A 48 11.162 -10.565 2.139 1.00 0.46 C ATOM 790 CG1 ILE A 48 11.411 -9.104 1.784 1.00 0.40 C ATOM 791 CG2 ILE A 48 11.435 -10.803 3.611 1.00 0.52 C ATOM 792 CD1 ILE A 48 11.223 -8.802 0.317 1.00 0.38 C ATOM 0 H ILE A 48 10.797 -12.993 2.081 1.00 0.55 H new ATOM 0 HA ILE A 48 11.937 -11.225 0.227 1.00 0.48 H new ATOM 0 HB ILE A 48 10.115 -10.788 1.932 1.00 0.46 H new ATOM 0 HG12 ILE A 48 10.736 -8.476 2.366 1.00 0.40 H new ATOM 0 HG13 ILE A 48 12.426 -8.835 2.075 1.00 0.40 H new ATOM 0 HG21 ILE A 48 10.816 -10.134 4.209 1.00 0.52 H new ATOM 0 HG22 ILE A 48 11.199 -11.837 3.862 1.00 0.52 H new ATOM 0 HG23 ILE A 48 12.487 -10.609 3.822 1.00 0.52 H new ATOM 0 HD11 ILE A 48 11.416 -7.745 0.136 1.00 0.38 H new ATOM 0 HD12 ILE A 48 11.917 -9.404 -0.270 1.00 0.38 H new ATOM 0 HD13 ILE A 48 10.200 -9.039 0.025 1.00 0.38 H new ATOM 804 N LYS A 49 14.054 -12.457 2.175 1.00 0.56 N ATOM 805 CA LYS A 49 15.430 -12.505 2.618 1.00 0.57 C ATOM 806 C LYS A 49 16.351 -12.738 1.434 1.00 0.55 C ATOM 807 O LYS A 49 17.555 -12.499 1.506 1.00 0.56 O ATOM 808 CB LYS A 49 15.582 -13.626 3.635 1.00 0.65 C ATOM 809 CG LYS A 49 14.454 -13.639 4.650 1.00 0.73 C ATOM 810 CD LYS A 49 14.380 -12.334 5.432 1.00 0.72 C ATOM 811 CE LYS A 49 15.148 -12.401 6.748 1.00 0.82 C ATOM 812 NZ LYS A 49 16.578 -12.778 6.570 1.00 1.11 N ATOM 0 H LYS A 49 13.555 -13.340 2.280 1.00 0.56 H new ATOM 0 HA LYS A 49 15.701 -11.556 3.080 1.00 0.57 H new ATOM 0 HB2 LYS A 49 15.611 -14.584 3.115 1.00 0.65 H new ATOM 0 HB3 LYS A 49 16.534 -13.516 4.154 1.00 0.65 H new ATOM 0 HG2 LYS A 49 13.507 -13.810 4.138 1.00 0.73 H new ATOM 0 HG3 LYS A 49 14.597 -14.469 5.342 1.00 0.73 H new ATOM 0 HD2 LYS A 49 14.780 -11.525 4.822 1.00 0.72 H new ATOM 0 HD3 LYS A 49 13.336 -12.094 5.635 1.00 0.72 H new ATOM 0 HE2 LYS A 49 15.093 -11.432 7.244 1.00 0.82 H new ATOM 0 HE3 LYS A 49 14.667 -13.124 7.406 1.00 0.82 H new ATOM 0 HZ1 LYS A 49 17.090 -12.628 7.462 1.00 1.11 H new ATOM 0 HZ2 LYS A 49 16.642 -13.780 6.299 1.00 1.11 H new ATOM 0 HZ3 LYS A 49 17.002 -12.190 5.824 1.00 1.11 H new ATOM 826 N ASP A 50 15.762 -13.193 0.339 1.00 0.55 N ATOM 827 CA ASP A 50 16.513 -13.509 -0.862 1.00 0.56 C ATOM 828 C ASP A 50 16.733 -12.280 -1.713 1.00 0.50 C ATOM 829 O ASP A 50 15.797 -11.559 -2.042 1.00 0.47 O ATOM 830 CB ASP A 50 15.798 -14.577 -1.685 1.00 0.62 C ATOM 831 CG ASP A 50 16.123 -15.983 -1.229 1.00 0.97 C ATOM 832 OD1 ASP A 50 17.313 -16.359 -1.249 1.00 1.58 O ATOM 833 OD2 ASP A 50 15.189 -16.729 -0.861 1.00 1.57 O ATOM 0 H ASP A 50 14.758 -13.352 0.259 1.00 0.55 H new ATOM 0 HA ASP A 50 17.483 -13.891 -0.545 1.00 0.56 H new ATOM 0 HB2 ASP A 50 14.721 -14.419 -1.621 1.00 0.62 H new ATOM 0 HB3 ASP A 50 16.074 -14.467 -2.734 1.00 0.62 H new ATOM 838 N LYS A 51 17.988 -12.062 -2.073 1.00 0.50 N ATOM 839 CA LYS A 51 18.372 -10.960 -2.937 1.00 0.48 C ATOM 840 C LYS A 51 17.738 -11.122 -4.310 1.00 0.50 C ATOM 841 O LYS A 51 17.525 -10.148 -5.022 1.00 0.48 O ATOM 842 CB LYS A 51 19.888 -10.926 -3.067 1.00 0.53 C ATOM 843 CG LYS A 51 20.439 -9.727 -3.828 1.00 0.83 C ATOM 844 CD LYS A 51 20.090 -8.410 -3.148 1.00 0.60 C ATOM 845 CE LYS A 51 20.831 -7.238 -3.780 1.00 0.83 C ATOM 846 NZ LYS A 51 22.306 -7.375 -3.654 1.00 0.92 N ATOM 0 H LYS A 51 18.769 -12.646 -1.773 1.00 0.50 H new ATOM 0 HA LYS A 51 18.023 -10.024 -2.501 1.00 0.48 H new ATOM 0 HB2 LYS A 51 20.324 -10.936 -2.068 1.00 0.53 H new ATOM 0 HB3 LYS A 51 20.216 -11.837 -3.567 1.00 0.53 H new ATOM 0 HG2 LYS A 51 21.522 -9.817 -3.910 1.00 0.83 H new ATOM 0 HG3 LYS A 51 20.041 -9.728 -4.843 1.00 0.83 H new ATOM 0 HD2 LYS A 51 19.015 -8.240 -3.214 1.00 0.60 H new ATOM 0 HD3 LYS A 51 20.339 -8.470 -2.089 1.00 0.60 H new ATOM 0 HE2 LYS A 51 20.563 -7.166 -4.834 1.00 0.83 H new ATOM 0 HE3 LYS A 51 20.512 -6.310 -3.306 1.00 0.83 H new ATOM 0 HZ1 LYS A 51 22.753 -6.444 -3.776 1.00 0.92 H new ATOM 0 HZ2 LYS A 51 22.541 -7.751 -2.713 1.00 0.92 H new ATOM 0 HZ3 LYS A 51 22.658 -8.026 -4.384 1.00 0.92 H new ATOM 860 N ALA A 52 17.437 -12.365 -4.669 1.00 0.55 N ATOM 861 CA ALA A 52 16.747 -12.656 -5.914 1.00 0.60 C ATOM 862 C ALA A 52 15.311 -12.191 -5.811 1.00 0.58 C ATOM 863 O ALA A 52 14.740 -11.660 -6.761 1.00 0.60 O ATOM 864 CB ALA A 52 16.790 -14.142 -6.214 1.00 0.67 C ATOM 0 H ALA A 52 17.662 -13.188 -4.111 1.00 0.55 H new ATOM 0 HA ALA A 52 17.245 -12.128 -6.727 1.00 0.60 H new ATOM 0 HB1 ALA A 52 16.268 -14.339 -7.150 1.00 0.67 H new ATOM 0 HB2 ALA A 52 17.827 -14.466 -6.302 1.00 0.67 H new ATOM 0 HB3 ALA A 52 16.306 -14.690 -5.406 1.00 0.67 H new ATOM 870 N VAL A 53 14.754 -12.367 -4.624 1.00 0.54 N ATOM 871 CA VAL A 53 13.384 -11.961 -4.347 1.00 0.53 C ATOM 872 C VAL A 53 13.319 -10.448 -4.283 1.00 0.47 C ATOM 873 O VAL A 53 12.424 -9.817 -4.845 1.00 0.48 O ATOM 874 CB VAL A 53 12.877 -12.570 -3.019 1.00 0.53 C ATOM 875 CG1 VAL A 53 11.617 -11.871 -2.529 1.00 0.51 C ATOM 876 CG2 VAL A 53 12.608 -14.053 -3.186 1.00 0.60 C ATOM 0 H VAL A 53 15.233 -12.792 -3.830 1.00 0.54 H new ATOM 0 HA VAL A 53 12.741 -12.328 -5.147 1.00 0.53 H new ATOM 0 HB VAL A 53 13.658 -12.426 -2.273 1.00 0.53 H new ATOM 0 HG11 VAL A 53 11.289 -12.325 -1.594 1.00 0.51 H new ATOM 0 HG12 VAL A 53 11.828 -10.814 -2.365 1.00 0.51 H new ATOM 0 HG13 VAL A 53 10.830 -11.972 -3.277 1.00 0.51 H new ATOM 0 HG21 VAL A 53 12.252 -14.467 -2.243 1.00 0.60 H new ATOM 0 HG22 VAL A 53 11.851 -14.201 -3.956 1.00 0.60 H new ATOM 0 HG23 VAL A 53 13.528 -14.559 -3.480 1.00 0.60 H new ATOM 886 N ILE A 54 14.305 -9.882 -3.618 1.00 0.42 N ATOM 887 CA ILE A 54 14.434 -8.442 -3.492 1.00 0.36 C ATOM 888 C ILE A 54 14.680 -7.790 -4.838 1.00 0.38 C ATOM 889 O ILE A 54 14.203 -6.694 -5.105 1.00 0.38 O ATOM 890 CB ILE A 54 15.581 -8.113 -2.547 1.00 0.35 C ATOM 891 CG1 ILE A 54 15.218 -8.637 -1.166 1.00 0.37 C ATOM 892 CG2 ILE A 54 15.872 -6.613 -2.527 1.00 0.32 C ATOM 893 CD1 ILE A 54 16.242 -8.336 -0.109 1.00 0.38 C ATOM 0 H ILE A 54 15.042 -10.408 -3.148 1.00 0.42 H new ATOM 0 HA ILE A 54 13.499 -8.051 -3.092 1.00 0.36 H new ATOM 0 HB ILE A 54 16.497 -8.594 -2.890 1.00 0.35 H new ATOM 0 HG12 ILE A 54 14.263 -8.207 -0.865 1.00 0.37 H new ATOM 0 HG13 ILE A 54 15.077 -9.716 -1.224 1.00 0.37 H new ATOM 0 HG21 ILE A 54 16.696 -6.411 -1.843 1.00 0.32 H new ATOM 0 HG22 ILE A 54 16.143 -6.282 -3.529 1.00 0.32 H new ATOM 0 HG23 ILE A 54 14.984 -6.075 -2.195 1.00 0.32 H new ATOM 0 HD11 ILE A 54 15.909 -8.742 0.846 1.00 0.38 H new ATOM 0 HD12 ILE A 54 17.194 -8.790 -0.385 1.00 0.38 H new ATOM 0 HD13 ILE A 54 16.367 -7.257 -0.020 1.00 0.38 H new ATOM 905 N ASP A 55 15.429 -8.478 -5.680 1.00 0.43 N ATOM 906 CA ASP A 55 15.725 -7.995 -7.015 1.00 0.47 C ATOM 907 C ASP A 55 14.441 -7.907 -7.798 1.00 0.48 C ATOM 908 O ASP A 55 14.114 -6.880 -8.368 1.00 0.49 O ATOM 909 CB ASP A 55 16.671 -8.951 -7.719 1.00 0.55 C ATOM 910 CG ASP A 55 17.303 -8.350 -8.950 1.00 0.86 C ATOM 911 OD1 ASP A 55 18.209 -7.508 -8.804 1.00 1.44 O ATOM 912 OD2 ASP A 55 16.903 -8.731 -10.070 1.00 1.53 O ATOM 0 H ASP A 55 15.847 -9.382 -5.459 1.00 0.43 H new ATOM 0 HA ASP A 55 16.195 -7.014 -6.947 1.00 0.47 H new ATOM 0 HB2 ASP A 55 17.455 -9.255 -7.026 1.00 0.55 H new ATOM 0 HB3 ASP A 55 16.126 -9.853 -7.999 1.00 0.55 H new ATOM 917 N GLU A 56 13.712 -9.010 -7.786 1.00 0.51 N ATOM 918 CA GLU A 56 12.404 -9.103 -8.409 1.00 0.54 C ATOM 919 C GLU A 56 11.510 -7.932 -8.003 1.00 0.47 C ATOM 920 O GLU A 56 10.845 -7.320 -8.841 1.00 0.49 O ATOM 921 CB GLU A 56 11.769 -10.425 -7.994 1.00 0.58 C ATOM 922 CG GLU A 56 12.395 -11.636 -8.669 1.00 0.69 C ATOM 923 CD GLU A 56 12.269 -11.593 -10.176 1.00 1.06 C ATOM 924 OE1 GLU A 56 11.245 -12.075 -10.704 1.00 1.66 O ATOM 925 OE2 GLU A 56 13.184 -11.069 -10.844 1.00 1.77 O ATOM 0 H GLU A 56 14.015 -9.875 -7.339 1.00 0.51 H new ATOM 0 HA GLU A 56 12.517 -9.062 -9.492 1.00 0.54 H new ATOM 0 HB2 GLU A 56 11.854 -10.537 -6.913 1.00 0.58 H new ATOM 0 HB3 GLU A 56 10.705 -10.398 -8.229 1.00 0.58 H new ATOM 0 HG2 GLU A 56 13.449 -11.694 -8.398 1.00 0.69 H new ATOM 0 HG3 GLU A 56 11.919 -12.542 -8.294 1.00 0.69 H new ATOM 932 N ILE A 57 11.524 -7.614 -6.716 1.00 0.42 N ATOM 933 CA ILE A 57 10.721 -6.535 -6.177 1.00 0.39 C ATOM 934 C ILE A 57 11.250 -5.176 -6.615 1.00 0.36 C ATOM 935 O ILE A 57 10.536 -4.398 -7.234 1.00 0.37 O ATOM 936 CB ILE A 57 10.719 -6.617 -4.651 1.00 0.40 C ATOM 937 CG1 ILE A 57 10.002 -7.890 -4.206 1.00 0.48 C ATOM 938 CG2 ILE A 57 10.077 -5.388 -4.044 1.00 0.59 C ATOM 939 CD1 ILE A 57 9.994 -8.091 -2.712 1.00 1.00 C ATOM 0 H ILE A 57 12.092 -8.098 -6.021 1.00 0.42 H new ATOM 0 HA ILE A 57 9.706 -6.641 -6.559 1.00 0.39 H new ATOM 0 HB ILE A 57 11.749 -6.654 -4.297 1.00 0.40 H new ATOM 0 HG12 ILE A 57 8.973 -7.861 -4.565 1.00 0.48 H new ATOM 0 HG13 ILE A 57 10.480 -8.749 -4.677 1.00 0.48 H new ATOM 0 HG21 ILE A 57 10.088 -5.471 -2.957 1.00 0.59 H new ATOM 0 HG22 ILE A 57 10.633 -4.500 -4.346 1.00 0.59 H new ATOM 0 HG23 ILE A 57 9.047 -5.306 -4.391 1.00 0.59 H new ATOM 0 HD11 ILE A 57 9.468 -9.015 -2.472 1.00 1.00 H new ATOM 0 HD12 ILE A 57 11.019 -8.153 -2.348 1.00 1.00 H new ATOM 0 HD13 ILE A 57 9.489 -7.251 -2.235 1.00 1.00 H new ATOM 951 N PHE A 58 12.509 -4.912 -6.294 1.00 0.35 N ATOM 952 CA PHE A 58 13.158 -3.647 -6.617 1.00 0.36 C ATOM 953 C PHE A 58 13.019 -3.332 -8.097 1.00 0.41 C ATOM 954 O PHE A 58 12.653 -2.222 -8.475 1.00 0.44 O ATOM 955 CB PHE A 58 14.636 -3.719 -6.231 1.00 0.38 C ATOM 956 CG PHE A 58 15.443 -2.533 -6.672 1.00 0.52 C ATOM 957 CD1 PHE A 58 15.344 -1.326 -6.006 1.00 1.12 C ATOM 958 CD2 PHE A 58 16.312 -2.634 -7.745 1.00 1.52 C ATOM 959 CE1 PHE A 58 16.097 -0.240 -6.402 1.00 1.16 C ATOM 960 CE2 PHE A 58 17.064 -1.550 -8.146 1.00 1.68 C ATOM 961 CZ PHE A 58 16.956 -0.353 -7.472 1.00 0.93 C ATOM 0 H PHE A 58 13.112 -5.571 -5.801 1.00 0.35 H new ATOM 0 HA PHE A 58 12.673 -2.850 -6.053 1.00 0.36 H new ATOM 0 HB2 PHE A 58 14.713 -3.815 -5.148 1.00 0.38 H new ATOM 0 HB3 PHE A 58 15.070 -4.621 -6.663 1.00 0.38 H new ATOM 0 HD1 PHE A 58 14.670 -1.232 -5.167 1.00 1.12 H new ATOM 0 HD2 PHE A 58 16.402 -3.572 -8.273 1.00 1.52 H new ATOM 0 HE1 PHE A 58 16.013 0.698 -5.873 1.00 1.16 H new ATOM 0 HE2 PHE A 58 17.736 -1.639 -8.987 1.00 1.68 H new ATOM 0 HZ PHE A 58 17.545 0.497 -7.783 1.00 0.93 H new ATOM 971 N GLN A 59 13.300 -4.327 -8.919 1.00 0.45 N ATOM 972 CA GLN A 59 13.210 -4.185 -10.359 1.00 0.52 C ATOM 973 C GLN A 59 11.760 -3.985 -10.785 1.00 0.52 C ATOM 974 O GLN A 59 11.485 -3.378 -11.817 1.00 0.57 O ATOM 975 CB GLN A 59 13.795 -5.423 -11.046 1.00 0.58 C ATOM 976 CG GLN A 59 15.284 -5.633 -10.788 1.00 0.61 C ATOM 977 CD GLN A 59 16.127 -4.423 -11.156 1.00 1.10 C ATOM 978 OE1 GLN A 59 15.717 -3.695 -12.186 1.00 1.92 O flip ATOM 979 NE2 GLN A 59 17.150 -4.155 -10.530 1.00 1.63 N flip ATOM 0 H GLN A 59 13.596 -5.252 -8.608 1.00 0.45 H new ATOM 0 HA GLN A 59 13.784 -3.308 -10.659 1.00 0.52 H new ATOM 0 HB2 GLN A 59 13.251 -6.305 -10.707 1.00 0.58 H new ATOM 0 HB3 GLN A 59 13.631 -5.341 -12.120 1.00 0.58 H new ATOM 0 HG2 GLN A 59 15.435 -5.867 -9.734 1.00 0.61 H new ATOM 0 HG3 GLN A 59 15.628 -6.496 -11.359 1.00 0.61 H new ATOM 0 HE21 GLN A 59 17.434 -4.738 -9.743 1.00 1.63 H new ATOM 0 HE22 GLN A 59 17.715 -3.349 -10.798 1.00 1.63 H new ATOM 988 N GLY A 60 10.841 -4.502 -9.979 1.00 0.48 N ATOM 989 CA GLY A 60 9.431 -4.337 -10.254 1.00 0.49 C ATOM 990 C GLY A 60 8.929 -2.943 -9.924 1.00 0.47 C ATOM 991 O GLY A 60 8.022 -2.435 -10.582 1.00 0.53 O ATOM 0 H GLY A 60 11.051 -5.035 -9.135 1.00 0.48 H new ATOM 0 HA2 GLY A 60 9.243 -4.546 -11.307 1.00 0.49 H new ATOM 0 HA3 GLY A 60 8.865 -5.069 -9.678 1.00 0.49 H new ATOM 995 N LEU A 61 9.515 -2.314 -8.910 1.00 0.42 N ATOM 996 CA LEU A 61 9.097 -0.976 -8.518 1.00 0.44 C ATOM 997 C LEU A 61 9.775 0.036 -9.408 1.00 0.51 C ATOM 998 O LEU A 61 9.170 1.015 -9.831 1.00 0.58 O ATOM 999 CB LEU A 61 9.452 -0.660 -7.060 1.00 0.39 C ATOM 1000 CG LEU A 61 9.597 -1.859 -6.131 1.00 0.34 C ATOM 1001 CD1 LEU A 61 10.121 -1.401 -4.783 1.00 0.31 C ATOM 1002 CD2 LEU A 61 8.269 -2.588 -5.971 1.00 0.35 C ATOM 0 H LEU A 61 10.273 -2.706 -8.351 1.00 0.42 H new ATOM 0 HA LEU A 61 8.013 -0.929 -8.620 1.00 0.44 H new ATOM 0 HB2 LEU A 61 10.388 -0.101 -7.048 1.00 0.39 H new ATOM 0 HB3 LEU A 61 8.683 -0.002 -6.654 1.00 0.39 H new ATOM 0 HG LEU A 61 10.309 -2.558 -6.571 1.00 0.34 H new ATOM 0 HD11 LEU A 61 10.223 -2.261 -4.121 1.00 0.31 H new ATOM 0 HD12 LEU A 61 11.093 -0.925 -4.913 1.00 0.31 H new ATOM 0 HD13 LEU A 61 9.423 -0.687 -4.345 1.00 0.31 H new ATOM 0 HD21 LEU A 61 8.400 -3.440 -5.303 1.00 0.35 H new ATOM 0 HD22 LEU A 61 7.529 -1.907 -5.551 1.00 0.35 H new ATOM 0 HD23 LEU A 61 7.927 -2.939 -6.945 1.00 0.35 H new ATOM 1014 N ASP A 62 11.042 -0.223 -9.693 1.00 0.50 N ATOM 1015 CA ASP A 62 11.849 0.679 -10.494 1.00 0.59 C ATOM 1016 C ASP A 62 11.491 0.558 -11.967 1.00 0.70 C ATOM 1017 O ASP A 62 12.235 -0.010 -12.770 1.00 0.75 O ATOM 1018 CB ASP A 62 13.334 0.401 -10.285 1.00 0.57 C ATOM 1019 CG ASP A 62 14.214 1.381 -11.039 1.00 0.64 C ATOM 1020 OD1 ASP A 62 13.852 2.575 -11.135 1.00 1.40 O ATOM 1021 OD2 ASP A 62 15.277 0.961 -11.534 1.00 1.11 O ATOM 0 H ASP A 62 11.535 -1.058 -9.377 1.00 0.50 H new ATOM 0 HA ASP A 62 11.639 1.699 -10.171 1.00 0.59 H new ATOM 0 HB2 ASP A 62 13.565 0.453 -9.221 1.00 0.57 H new ATOM 0 HB3 ASP A 62 13.561 -0.614 -10.612 1.00 0.57 H new ATOM 1026 N ALA A 63 10.332 1.087 -12.309 1.00 0.78 N ATOM 1027 CA ALA A 63 9.886 1.144 -13.692 1.00 0.94 C ATOM 1028 C ALA A 63 10.714 2.161 -14.461 1.00 1.12 C ATOM 1029 O ALA A 63 10.734 2.174 -15.692 1.00 1.30 O ATOM 1030 CB ALA A 63 8.412 1.503 -13.755 1.00 0.99 C ATOM 0 H ALA A 63 9.674 1.488 -11.641 1.00 0.78 H new ATOM 0 HA ALA A 63 10.021 0.164 -14.149 1.00 0.94 H new ATOM 0 HB1 ALA A 63 8.091 1.542 -14.796 1.00 0.99 H new ATOM 0 HB2 ALA A 63 7.831 0.749 -13.224 1.00 0.99 H new ATOM 0 HB3 ALA A 63 8.254 2.476 -13.290 1.00 0.99 H new ATOM 1036 N ASN A 64 11.403 3.007 -13.709 1.00 1.09 N ATOM 1037 CA ASN A 64 12.223 4.065 -14.277 1.00 1.28 C ATOM 1038 C ASN A 64 13.527 3.493 -14.810 1.00 1.21 C ATOM 1039 O ASN A 64 14.195 4.104 -15.644 1.00 1.37 O ATOM 1040 CB ASN A 64 12.533 5.124 -13.215 1.00 1.34 C ATOM 1041 CG ASN A 64 11.469 5.193 -12.139 1.00 2.03 C ATOM 1042 OD1 ASN A 64 10.489 5.926 -12.261 1.00 2.55 O ATOM 1043 ND2 ASN A 64 11.659 4.430 -11.071 1.00 2.80 N ATOM 0 H ASN A 64 11.409 2.979 -12.689 1.00 1.09 H new ATOM 0 HA ASN A 64 11.669 4.525 -15.095 1.00 1.28 H new ATOM 0 HB2 ASN A 64 13.496 4.903 -12.756 1.00 1.34 H new ATOM 0 HB3 ASN A 64 12.625 6.099 -13.694 1.00 1.34 H new ATOM 0 HD21 ASN A 64 10.978 4.437 -10.311 1.00 2.80 H new ATOM 0 HD22 ASN A 64 12.486 3.836 -11.009 1.00 2.80 H new ATOM 1050 N GLN A 65 13.865 2.302 -14.307 1.00 1.03 N ATOM 1051 CA GLN A 65 15.075 1.584 -14.697 1.00 1.05 C ATOM 1052 C GLN A 65 16.318 2.401 -14.374 1.00 1.04 C ATOM 1053 O GLN A 65 17.308 2.365 -15.104 1.00 1.17 O ATOM 1054 CB GLN A 65 15.038 1.227 -16.187 1.00 1.31 C ATOM 1055 CG GLN A 65 13.924 0.260 -16.551 1.00 1.37 C ATOM 1056 CD GLN A 65 13.872 -0.032 -18.038 1.00 2.03 C ATOM 1057 OE1 GLN A 65 14.224 0.811 -18.862 1.00 2.72 O ATOM 1058 NE2 GLN A 65 13.430 -1.226 -18.392 1.00 2.57 N ATOM 0 H GLN A 65 13.302 1.809 -13.614 1.00 1.03 H new ATOM 0 HA GLN A 65 15.117 0.658 -14.123 1.00 1.05 H new ATOM 0 HB2 GLN A 65 14.919 2.141 -16.769 1.00 1.31 H new ATOM 0 HB3 GLN A 65 15.995 0.790 -16.472 1.00 1.31 H new ATOM 0 HG2 GLN A 65 14.064 -0.673 -16.005 1.00 1.37 H new ATOM 0 HG3 GLN A 65 12.968 0.675 -16.232 1.00 1.37 H new ATOM 0 HE21 GLN A 65 13.147 -1.898 -17.678 1.00 2.57 H new ATOM 0 HE22 GLN A 65 13.371 -1.476 -19.379 1.00 2.57 H new ATOM 1067 N ASP A 66 16.266 3.131 -13.267 1.00 0.93 N ATOM 1068 CA ASP A 66 17.378 3.986 -12.867 1.00 0.95 C ATOM 1069 C ASP A 66 17.925 3.578 -11.511 1.00 0.81 C ATOM 1070 O ASP A 66 18.747 4.288 -10.927 1.00 0.82 O ATOM 1071 CB ASP A 66 16.968 5.461 -12.838 1.00 1.06 C ATOM 1072 CG ASP A 66 16.891 6.076 -14.220 1.00 1.42 C ATOM 1073 OD1 ASP A 66 17.947 6.208 -14.878 1.00 1.89 O ATOM 1074 OD2 ASP A 66 15.778 6.451 -14.650 1.00 2.13 O ATOM 0 H ASP A 66 15.468 3.149 -12.631 1.00 0.93 H new ATOM 0 HA ASP A 66 18.162 3.859 -13.614 1.00 0.95 H new ATOM 0 HB2 ASP A 66 15.998 5.554 -12.349 1.00 1.06 H new ATOM 0 HB3 ASP A 66 17.684 6.021 -12.236 1.00 1.06 H new ATOM 1079 N GLU A 67 17.445 2.441 -11.010 1.00 0.73 N ATOM 1080 CA GLU A 67 17.932 1.863 -9.762 1.00 0.63 C ATOM 1081 C GLU A 67 17.604 2.784 -8.583 1.00 0.58 C ATOM 1082 O GLU A 67 18.462 3.098 -7.754 1.00 0.60 O ATOM 1083 CB GLU A 67 19.443 1.597 -9.863 1.00 0.68 C ATOM 1084 CG GLU A 67 20.020 0.781 -8.718 1.00 0.97 C ATOM 1085 CD GLU A 67 21.506 0.539 -8.875 1.00 1.42 C ATOM 1086 OE1 GLU A 67 22.296 1.472 -8.631 1.00 2.01 O ATOM 1087 OE2 GLU A 67 21.891 -0.585 -9.252 1.00 2.02 O ATOM 0 H GLU A 67 16.708 1.896 -11.458 1.00 0.73 H new ATOM 0 HA GLU A 67 17.430 0.911 -9.587 1.00 0.63 H new ATOM 0 HB2 GLU A 67 19.645 1.078 -10.800 1.00 0.68 H new ATOM 0 HB3 GLU A 67 19.965 2.553 -9.909 1.00 0.68 H new ATOM 0 HG2 GLU A 67 19.836 1.299 -7.777 1.00 0.97 H new ATOM 0 HG3 GLU A 67 19.503 -0.177 -8.661 1.00 0.97 H new ATOM 1094 N GLN A 68 16.351 3.217 -8.510 1.00 0.61 N ATOM 1095 CA GLN A 68 15.930 4.135 -7.461 1.00 0.65 C ATOM 1096 C GLN A 68 14.502 3.851 -6.997 1.00 0.66 C ATOM 1097 O GLN A 68 13.558 3.881 -7.787 1.00 0.78 O ATOM 1098 CB GLN A 68 16.043 5.586 -7.946 1.00 0.85 C ATOM 1099 CG GLN A 68 15.252 5.878 -9.216 1.00 1.38 C ATOM 1100 CD GLN A 68 15.309 7.336 -9.624 1.00 1.63 C ATOM 1101 OE1 GLN A 68 15.234 7.663 -10.808 1.00 2.16 O ATOM 1102 NE2 GLN A 68 15.436 8.225 -8.653 1.00 2.07 N ATOM 0 H GLN A 68 15.613 2.949 -9.161 1.00 0.61 H new ATOM 0 HA GLN A 68 16.594 3.985 -6.610 1.00 0.65 H new ATOM 0 HB2 GLN A 68 15.698 6.251 -7.154 1.00 0.85 H new ATOM 0 HB3 GLN A 68 17.093 5.819 -8.123 1.00 0.85 H new ATOM 0 HG2 GLN A 68 15.639 5.263 -10.029 1.00 1.38 H new ATOM 0 HG3 GLN A 68 14.212 5.589 -9.065 1.00 1.38 H new ATOM 0 HE21 GLN A 68 15.495 7.916 -7.683 1.00 2.07 H new ATOM 0 HE22 GLN A 68 15.475 9.220 -8.874 1.00 2.07 H new ATOM 1111 N VAL A 69 14.357 3.539 -5.718 1.00 0.59 N ATOM 1112 CA VAL A 69 13.041 3.450 -5.104 1.00 0.64 C ATOM 1113 C VAL A 69 12.607 4.811 -4.561 1.00 0.64 C ATOM 1114 O VAL A 69 13.136 5.291 -3.561 1.00 0.68 O ATOM 1115 CB VAL A 69 13.013 2.425 -3.951 1.00 0.72 C ATOM 1116 CG1 VAL A 69 11.632 2.359 -3.316 1.00 1.81 C ATOM 1117 CG2 VAL A 69 13.432 1.055 -4.444 1.00 1.22 C ATOM 0 H VAL A 69 15.133 3.343 -5.086 1.00 0.59 H new ATOM 0 HA VAL A 69 12.352 3.121 -5.882 1.00 0.64 H new ATOM 0 HB VAL A 69 13.723 2.753 -3.192 1.00 0.72 H new ATOM 0 HG11 VAL A 69 11.638 1.629 -2.506 1.00 1.81 H new ATOM 0 HG12 VAL A 69 11.367 3.339 -2.920 1.00 1.81 H new ATOM 0 HG13 VAL A 69 10.900 2.061 -4.067 1.00 1.81 H new ATOM 0 HG21 VAL A 69 13.406 0.347 -3.616 1.00 1.22 H new ATOM 0 HG22 VAL A 69 12.748 0.725 -5.226 1.00 1.22 H new ATOM 0 HG23 VAL A 69 14.444 1.107 -4.845 1.00 1.22 H new ATOM 1127 N ASP A 70 11.653 5.432 -5.238 1.00 0.67 N ATOM 1128 CA ASP A 70 11.031 6.656 -4.743 1.00 0.73 C ATOM 1129 C ASP A 70 9.758 6.272 -3.990 1.00 0.64 C ATOM 1130 O ASP A 70 9.489 5.083 -3.816 1.00 0.56 O ATOM 1131 CB ASP A 70 10.709 7.605 -5.909 1.00 0.84 C ATOM 1132 CG ASP A 70 10.562 9.060 -5.482 1.00 1.38 C ATOM 1133 OD1 ASP A 70 9.514 9.418 -4.903 1.00 1.99 O ATOM 1134 OD2 ASP A 70 11.484 9.855 -5.746 1.00 2.02 O ATOM 0 H ASP A 70 11.290 5.109 -6.135 1.00 0.67 H new ATOM 0 HA ASP A 70 11.713 7.179 -4.073 1.00 0.73 H new ATOM 0 HB2 ASP A 70 11.499 7.531 -6.656 1.00 0.84 H new ATOM 0 HB3 ASP A 70 9.786 7.280 -6.388 1.00 0.84 H new ATOM 1139 N PHE A 71 8.965 7.244 -3.565 1.00 0.70 N ATOM 1140 CA PHE A 71 7.770 6.955 -2.774 1.00 0.66 C ATOM 1141 C PHE A 71 6.779 6.100 -3.549 1.00 0.55 C ATOM 1142 O PHE A 71 6.197 5.170 -3.001 1.00 0.48 O ATOM 1143 CB PHE A 71 7.073 8.236 -2.330 1.00 0.82 C ATOM 1144 CG PHE A 71 7.862 9.056 -1.352 1.00 1.12 C ATOM 1145 CD1 PHE A 71 8.778 9.996 -1.793 1.00 1.50 C ATOM 1146 CD2 PHE A 71 7.684 8.886 0.011 1.00 1.92 C ATOM 1147 CE1 PHE A 71 9.502 10.750 -0.893 1.00 1.76 C ATOM 1148 CE2 PHE A 71 8.406 9.638 0.917 1.00 2.17 C ATOM 1149 CZ PHE A 71 9.316 10.572 0.464 1.00 1.76 C ATOM 0 H PHE A 71 9.122 8.234 -3.751 1.00 0.70 H new ATOM 0 HA PHE A 71 8.107 6.404 -1.896 1.00 0.66 H new ATOM 0 HB2 PHE A 71 6.860 8.844 -3.209 1.00 0.82 H new ATOM 0 HB3 PHE A 71 6.114 7.978 -1.881 1.00 0.82 H new ATOM 0 HD1 PHE A 71 8.927 10.140 -2.853 1.00 1.50 H new ATOM 0 HD2 PHE A 71 6.972 8.157 0.370 1.00 1.92 H new ATOM 0 HE1 PHE A 71 10.214 11.479 -1.249 1.00 1.76 H new ATOM 0 HE2 PHE A 71 8.259 9.496 1.977 1.00 2.17 H new ATOM 0 HZ PHE A 71 9.882 11.163 1.170 1.00 1.76 H new ATOM 1159 N GLN A 72 6.584 6.417 -4.822 1.00 0.59 N ATOM 1160 CA GLN A 72 5.626 5.687 -5.640 1.00 0.56 C ATOM 1161 C GLN A 72 6.138 4.290 -5.933 1.00 0.49 C ATOM 1162 O GLN A 72 5.387 3.316 -5.914 1.00 0.47 O ATOM 1163 CB GLN A 72 5.349 6.431 -6.941 1.00 0.69 C ATOM 1164 CG GLN A 72 4.114 5.923 -7.663 1.00 0.74 C ATOM 1165 CD GLN A 72 4.324 4.643 -8.466 1.00 1.08 C ATOM 1166 OE1 GLN A 72 3.404 3.834 -8.609 1.00 1.66 O ATOM 1167 NE2 GLN A 72 5.518 4.445 -9.001 1.00 1.66 N ATOM 0 H GLN A 72 7.073 7.169 -5.308 1.00 0.59 H new ATOM 0 HA GLN A 72 4.692 5.609 -5.083 1.00 0.56 H new ATOM 0 HB2 GLN A 72 5.227 7.493 -6.727 1.00 0.69 H new ATOM 0 HB3 GLN A 72 6.213 6.335 -7.599 1.00 0.69 H new ATOM 0 HG2 GLN A 72 3.327 5.750 -6.929 1.00 0.74 H new ATOM 0 HG3 GLN A 72 3.757 6.703 -8.336 1.00 0.74 H new ATOM 0 HE21 GLN A 72 6.258 5.133 -8.865 1.00 1.66 H new ATOM 0 HE22 GLN A 72 5.698 3.604 -9.550 1.00 1.66 H new ATOM 1176 N GLU A 73 7.419 4.203 -6.212 1.00 0.49 N ATOM 1177 CA GLU A 73 8.060 2.923 -6.436 1.00 0.46 C ATOM 1178 C GLU A 73 7.925 2.087 -5.169 1.00 0.36 C ATOM 1179 O GLU A 73 7.654 0.890 -5.216 1.00 0.32 O ATOM 1180 CB GLU A 73 9.538 3.106 -6.799 1.00 0.56 C ATOM 1181 CG GLU A 73 9.842 4.372 -7.601 1.00 0.78 C ATOM 1182 CD GLU A 73 8.976 4.550 -8.833 1.00 1.15 C ATOM 1183 OE1 GLU A 73 9.238 3.894 -9.856 1.00 1.82 O ATOM 1184 OE2 GLU A 73 8.038 5.375 -8.788 1.00 1.99 O ATOM 0 H GLU A 73 8.042 5.007 -6.290 1.00 0.49 H new ATOM 0 HA GLU A 73 7.577 2.416 -7.272 1.00 0.46 H new ATOM 0 HB2 GLU A 73 10.125 3.123 -5.881 1.00 0.56 H new ATOM 0 HB3 GLU A 73 9.868 2.240 -7.372 1.00 0.56 H new ATOM 0 HG2 GLU A 73 9.714 5.239 -6.953 1.00 0.78 H new ATOM 0 HG3 GLU A 73 10.888 4.353 -7.906 1.00 0.78 H new ATOM 1191 N PHE A 74 8.076 2.750 -4.031 1.00 0.37 N ATOM 1192 CA PHE A 74 7.890 2.112 -2.741 1.00 0.34 C ATOM 1193 C PHE A 74 6.426 1.738 -2.534 1.00 0.32 C ATOM 1194 O PHE A 74 6.108 0.773 -1.846 1.00 0.33 O ATOM 1195 CB PHE A 74 8.375 3.028 -1.618 1.00 0.43 C ATOM 1196 CG PHE A 74 8.368 2.377 -0.264 1.00 0.78 C ATOM 1197 CD1 PHE A 74 9.267 1.367 0.035 1.00 1.31 C ATOM 1198 CD2 PHE A 74 7.467 2.777 0.708 1.00 1.44 C ATOM 1199 CE1 PHE A 74 9.266 0.767 1.278 1.00 1.77 C ATOM 1200 CE2 PHE A 74 7.463 2.180 1.953 1.00 1.92 C ATOM 1201 CZ PHE A 74 8.363 1.175 2.239 1.00 1.89 C ATOM 0 H PHE A 74 8.329 3.737 -3.978 1.00 0.37 H new ATOM 0 HA PHE A 74 8.483 1.197 -2.720 1.00 0.34 H new ATOM 0 HB2 PHE A 74 9.387 3.363 -1.845 1.00 0.43 H new ATOM 0 HB3 PHE A 74 7.744 3.917 -1.588 1.00 0.43 H new ATOM 0 HD1 PHE A 74 9.977 1.045 -0.713 1.00 1.31 H new ATOM 0 HD2 PHE A 74 6.760 3.564 0.490 1.00 1.44 H new ATOM 0 HE1 PHE A 74 9.971 -0.021 1.498 1.00 1.77 H new ATOM 0 HE2 PHE A 74 6.755 2.500 2.703 1.00 1.92 H new ATOM 0 HZ PHE A 74 8.361 0.708 3.213 1.00 1.89 H new ATOM 1211 N ILE A 75 5.547 2.502 -3.159 1.00 0.33 N ATOM 1212 CA ILE A 75 4.122 2.229 -3.131 1.00 0.35 C ATOM 1213 C ILE A 75 3.848 0.924 -3.859 1.00 0.34 C ATOM 1214 O ILE A 75 3.004 0.126 -3.446 1.00 0.36 O ATOM 1215 CB ILE A 75 3.333 3.398 -3.772 1.00 0.41 C ATOM 1216 CG1 ILE A 75 2.800 4.336 -2.697 1.00 0.49 C ATOM 1217 CG2 ILE A 75 2.202 2.897 -4.654 1.00 0.45 C ATOM 1218 CD1 ILE A 75 2.433 5.697 -3.230 1.00 0.67 C ATOM 0 H ILE A 75 5.802 3.329 -3.700 1.00 0.33 H new ATOM 0 HA ILE A 75 3.791 2.134 -2.097 1.00 0.35 H new ATOM 0 HB ILE A 75 4.024 3.951 -4.408 1.00 0.41 H new ATOM 0 HG12 ILE A 75 1.923 3.886 -2.232 1.00 0.49 H new ATOM 0 HG13 ILE A 75 3.552 4.449 -1.916 1.00 0.49 H new ATOM 0 HG21 ILE A 75 1.673 3.747 -5.085 1.00 0.45 H new ATOM 0 HG22 ILE A 75 2.611 2.280 -5.454 1.00 0.45 H new ATOM 0 HG23 ILE A 75 1.510 2.304 -4.056 1.00 0.45 H new ATOM 0 HD11 ILE A 75 2.060 6.318 -2.416 1.00 0.67 H new ATOM 0 HD12 ILE A 75 3.314 6.165 -3.670 1.00 0.67 H new ATOM 0 HD13 ILE A 75 1.659 5.593 -3.991 1.00 0.67 H new ATOM 1230 N SER A 76 4.596 0.704 -4.931 1.00 0.34 N ATOM 1231 CA SER A 76 4.534 -0.549 -5.644 1.00 0.36 C ATOM 1232 C SER A 76 4.994 -1.674 -4.726 1.00 0.31 C ATOM 1233 O SER A 76 4.406 -2.743 -4.703 1.00 0.33 O ATOM 1234 CB SER A 76 5.399 -0.485 -6.902 1.00 0.45 C ATOM 1235 OG SER A 76 5.014 0.606 -7.724 1.00 0.74 O ATOM 0 H SER A 76 5.251 1.382 -5.321 1.00 0.34 H new ATOM 0 HA SER A 76 3.507 -0.743 -5.952 1.00 0.36 H new ATOM 0 HB2 SER A 76 6.448 -0.383 -6.623 1.00 0.45 H new ATOM 0 HB3 SER A 76 5.307 -1.417 -7.460 1.00 0.45 H new ATOM 0 HG SER A 76 5.581 0.630 -8.523 1.00 0.74 H new ATOM 1241 N LEU A 77 6.028 -1.404 -3.939 1.00 0.28 N ATOM 1242 CA LEU A 77 6.524 -2.370 -2.966 1.00 0.26 C ATOM 1243 C LEU A 77 5.421 -2.739 -1.984 1.00 0.23 C ATOM 1244 O LEU A 77 5.236 -3.909 -1.665 1.00 0.23 O ATOM 1245 CB LEU A 77 7.758 -1.799 -2.236 1.00 0.30 C ATOM 1246 CG LEU A 77 8.353 -2.640 -1.090 1.00 0.38 C ATOM 1247 CD1 LEU A 77 7.627 -2.380 0.224 1.00 1.11 C ATOM 1248 CD2 LEU A 77 8.314 -4.121 -1.433 1.00 1.15 C ATOM 0 H LEU A 77 6.541 -0.522 -3.955 1.00 0.28 H new ATOM 0 HA LEU A 77 6.829 -3.279 -3.485 1.00 0.26 H new ATOM 0 HB2 LEU A 77 8.541 -1.635 -2.976 1.00 0.30 H new ATOM 0 HB3 LEU A 77 7.490 -0.822 -1.833 1.00 0.30 H new ATOM 0 HG LEU A 77 9.393 -2.339 -0.965 1.00 0.38 H new ATOM 0 HD11 LEU A 77 8.071 -2.989 1.012 1.00 1.11 H new ATOM 0 HD12 LEU A 77 7.716 -1.326 0.486 1.00 1.11 H new ATOM 0 HD13 LEU A 77 6.574 -2.639 0.115 1.00 1.11 H new ATOM 0 HD21 LEU A 77 8.739 -4.696 -0.610 1.00 1.15 H new ATOM 0 HD22 LEU A 77 7.281 -4.430 -1.596 1.00 1.15 H new ATOM 0 HD23 LEU A 77 8.894 -4.300 -2.338 1.00 1.15 H new ATOM 1260 N VAL A 78 4.677 -1.747 -1.519 1.00 0.24 N ATOM 1261 CA VAL A 78 3.594 -2.000 -0.583 1.00 0.25 C ATOM 1262 C VAL A 78 2.502 -2.806 -1.261 1.00 0.27 C ATOM 1263 O VAL A 78 1.821 -3.595 -0.625 1.00 0.28 O ATOM 1264 CB VAL A 78 2.988 -0.704 -0.024 1.00 0.29 C ATOM 1265 CG1 VAL A 78 2.044 -1.019 1.120 1.00 0.33 C ATOM 1266 CG2 VAL A 78 4.086 0.247 0.424 1.00 0.31 C ATOM 0 H VAL A 78 4.802 -0.767 -1.772 1.00 0.24 H new ATOM 0 HA VAL A 78 4.018 -2.559 0.251 1.00 0.25 H new ATOM 0 HB VAL A 78 2.419 -0.213 -0.813 1.00 0.29 H new ATOM 0 HG11 VAL A 78 1.621 -0.093 1.508 1.00 0.33 H new ATOM 0 HG12 VAL A 78 1.241 -1.663 0.762 1.00 0.33 H new ATOM 0 HG13 VAL A 78 2.591 -1.528 1.913 1.00 0.33 H new ATOM 0 HG21 VAL A 78 3.639 1.160 0.817 1.00 0.31 H new ATOM 0 HG22 VAL A 78 4.684 -0.228 1.202 1.00 0.31 H new ATOM 0 HG23 VAL A 78 4.724 0.492 -0.425 1.00 0.31 H new ATOM 1276 N ALA A 79 2.348 -2.607 -2.559 1.00 0.31 N ATOM 1277 CA ALA A 79 1.429 -3.408 -3.346 1.00 0.35 C ATOM 1278 C ALA A 79 1.844 -4.876 -3.289 1.00 0.33 C ATOM 1279 O ALA A 79 1.038 -5.756 -2.992 1.00 0.33 O ATOM 1280 CB ALA A 79 1.403 -2.912 -4.783 1.00 0.43 C ATOM 0 H ALA A 79 2.850 -1.895 -3.090 1.00 0.31 H new ATOM 0 HA ALA A 79 0.425 -3.314 -2.933 1.00 0.35 H new ATOM 0 HB1 ALA A 79 0.710 -3.520 -5.365 1.00 0.43 H new ATOM 0 HB2 ALA A 79 1.078 -1.872 -4.803 1.00 0.43 H new ATOM 0 HB3 ALA A 79 2.402 -2.988 -5.212 1.00 0.43 H new ATOM 1286 N ILE A 80 3.119 -5.112 -3.563 1.00 0.32 N ATOM 1287 CA ILE A 80 3.716 -6.442 -3.463 1.00 0.32 C ATOM 1288 C ILE A 80 3.547 -6.999 -2.050 1.00 0.28 C ATOM 1289 O ILE A 80 3.229 -8.173 -1.860 1.00 0.31 O ATOM 1290 CB ILE A 80 5.229 -6.391 -3.825 1.00 0.34 C ATOM 1291 CG1 ILE A 80 5.449 -6.378 -5.346 1.00 0.38 C ATOM 1292 CG2 ILE A 80 5.990 -7.553 -3.198 1.00 0.36 C ATOM 1293 CD1 ILE A 80 4.824 -5.202 -6.067 1.00 0.40 C ATOM 0 H ILE A 80 3.772 -4.388 -3.862 1.00 0.32 H new ATOM 0 HA ILE A 80 3.204 -7.096 -4.168 1.00 0.32 H new ATOM 0 HB ILE A 80 5.619 -5.459 -3.416 1.00 0.34 H new ATOM 0 HG12 ILE A 80 6.521 -6.380 -5.544 1.00 0.38 H new ATOM 0 HG13 ILE A 80 5.046 -7.300 -5.765 1.00 0.38 H new ATOM 0 HG21 ILE A 80 7.043 -7.487 -3.471 1.00 0.36 H new ATOM 0 HG22 ILE A 80 5.892 -7.509 -2.113 1.00 0.36 H new ATOM 0 HG23 ILE A 80 5.579 -8.495 -3.561 1.00 0.36 H new ATOM 0 HD11 ILE A 80 5.031 -5.278 -7.134 1.00 0.40 H new ATOM 0 HD12 ILE A 80 3.746 -5.207 -5.905 1.00 0.40 H new ATOM 0 HD13 ILE A 80 5.244 -4.273 -5.681 1.00 0.40 H new ATOM 1305 N ALA A 81 3.738 -6.131 -1.073 1.00 0.23 N ATOM 1306 CA ALA A 81 3.729 -6.511 0.326 1.00 0.23 C ATOM 1307 C ALA A 81 2.324 -6.841 0.830 1.00 0.23 C ATOM 1308 O ALA A 81 2.138 -7.812 1.555 1.00 0.28 O ATOM 1309 CB ALA A 81 4.359 -5.405 1.147 1.00 0.24 C ATOM 0 H ALA A 81 3.905 -5.137 -1.230 1.00 0.23 H new ATOM 0 HA ALA A 81 4.314 -7.424 0.436 1.00 0.23 H new ATOM 0 HB1 ALA A 81 4.355 -5.686 2.200 1.00 0.24 H new ATOM 0 HB2 ALA A 81 5.386 -5.247 0.818 1.00 0.24 H new ATOM 0 HB3 ALA A 81 3.790 -4.485 1.015 1.00 0.24 H new ATOM 1315 N LEU A 82 1.342 -6.035 0.443 1.00 0.22 N ATOM 1316 CA LEU A 82 -0.047 -6.282 0.820 1.00 0.23 C ATOM 1317 C LEU A 82 -0.557 -7.532 0.121 1.00 0.24 C ATOM 1318 O LEU A 82 -1.303 -8.327 0.700 1.00 0.29 O ATOM 1319 CB LEU A 82 -0.931 -5.091 0.456 1.00 0.25 C ATOM 1320 CG LEU A 82 -0.589 -3.770 1.146 1.00 0.26 C ATOM 1321 CD1 LEU A 82 -1.567 -2.699 0.725 1.00 0.33 C ATOM 1322 CD2 LEU A 82 -0.596 -3.930 2.656 1.00 0.31 C ATOM 0 H LEU A 82 1.481 -5.204 -0.132 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.089 -6.425 1.900 1.00 0.23 H new ATOM 0 HB2 LEU A 82 -0.878 -4.940 -0.622 1.00 0.25 H new ATOM 0 HB3 LEU A 82 -1.964 -5.345 0.692 1.00 0.25 H new ATOM 0 HG LEU A 82 0.415 -3.472 0.843 1.00 0.26 H new ATOM 0 HD11 LEU A 82 -1.316 -1.762 1.221 1.00 0.33 H new ATOM 0 HD12 LEU A 82 -1.515 -2.563 -0.355 1.00 0.33 H new ATOM 0 HD13 LEU A 82 -2.577 -2.998 1.005 1.00 0.33 H new ATOM 0 HD21 LEU A 82 -0.350 -2.977 3.124 1.00 0.31 H new ATOM 0 HD22 LEU A 82 -1.585 -4.250 2.983 1.00 0.31 H new ATOM 0 HD23 LEU A 82 0.142 -4.678 2.946 1.00 0.31 H new ATOM 1334 N LYS A 83 -0.152 -7.687 -1.133 1.00 0.26 N ATOM 1335 CA LYS A 83 -0.413 -8.903 -1.882 1.00 0.33 C ATOM 1336 C LYS A 83 0.146 -10.098 -1.127 1.00 0.31 C ATOM 1337 O LYS A 83 -0.580 -11.019 -0.791 1.00 0.44 O ATOM 1338 CB LYS A 83 0.227 -8.811 -3.270 1.00 0.42 C ATOM 1339 CG LYS A 83 -0.695 -8.317 -4.375 1.00 0.66 C ATOM 1340 CD LYS A 83 -1.330 -9.451 -5.167 1.00 1.04 C ATOM 1341 CE LYS A 83 -2.442 -10.151 -4.399 1.00 0.80 C ATOM 1342 NZ LYS A 83 -3.196 -11.087 -5.271 1.00 1.67 N ATOM 0 H LYS A 83 0.363 -6.977 -1.654 1.00 0.26 H new ATOM 0 HA LYS A 83 -1.489 -9.027 -2.000 1.00 0.33 H new ATOM 0 HB2 LYS A 83 1.088 -8.146 -3.212 1.00 0.42 H new ATOM 0 HB3 LYS A 83 0.603 -9.796 -3.545 1.00 0.42 H new ATOM 0 HG2 LYS A 83 -1.481 -7.701 -3.937 1.00 0.66 H new ATOM 0 HG3 LYS A 83 -0.130 -7.678 -5.054 1.00 0.66 H new ATOM 0 HD2 LYS A 83 -1.731 -9.057 -6.101 1.00 1.04 H new ATOM 0 HD3 LYS A 83 -0.563 -10.179 -5.432 1.00 1.04 H new ATOM 0 HE2 LYS A 83 -2.017 -10.698 -3.557 1.00 0.80 H new ATOM 0 HE3 LYS A 83 -3.124 -9.408 -3.985 1.00 0.80 H new ATOM 0 HZ1 LYS A 83 -4.198 -11.090 -4.992 1.00 1.67 H new ATOM 0 HZ2 LYS A 83 -3.113 -10.781 -6.262 1.00 1.67 H new ATOM 0 HZ3 LYS A 83 -2.806 -12.046 -5.171 1.00 1.67 H new ATOM 1356 N ALA A 84 1.435 -10.052 -0.828 1.00 0.31 N ATOM 1357 CA ALA A 84 2.105 -11.128 -0.109 1.00 0.35 C ATOM 1358 C ALA A 84 1.549 -11.315 1.302 1.00 0.33 C ATOM 1359 O ALA A 84 1.741 -12.362 1.908 1.00 0.40 O ATOM 1360 CB ALA A 84 3.601 -10.878 -0.060 1.00 0.48 C ATOM 0 H ALA A 84 2.045 -9.273 -1.075 1.00 0.31 H new ATOM 0 HA ALA A 84 1.913 -12.051 -0.656 1.00 0.35 H new ATOM 0 HB1 ALA A 84 4.088 -11.690 0.480 1.00 0.48 H new ATOM 0 HB2 ALA A 84 3.995 -10.830 -1.075 1.00 0.48 H new ATOM 0 HB3 ALA A 84 3.796 -9.935 0.450 1.00 0.48 H new ATOM 1366 N ALA A 85 0.899 -10.292 1.839 1.00 0.30 N ATOM 1367 CA ALA A 85 0.326 -10.369 3.177 1.00 0.38 C ATOM 1368 C ALA A 85 -0.880 -11.313 3.224 1.00 0.44 C ATOM 1369 O ALA A 85 -0.867 -12.305 3.953 1.00 0.57 O ATOM 1370 CB ALA A 85 -0.064 -8.982 3.665 1.00 0.43 C ATOM 0 H ALA A 85 0.755 -9.398 1.369 1.00 0.30 H new ATOM 0 HA ALA A 85 1.088 -10.777 3.841 1.00 0.38 H new ATOM 0 HB1 ALA A 85 -0.491 -9.055 4.665 1.00 0.43 H new ATOM 0 HB2 ALA A 85 0.820 -8.344 3.693 1.00 0.43 H new ATOM 0 HB3 ALA A 85 -0.801 -8.552 2.987 1.00 0.43 H new ATOM 1376 N HIS A 86 -1.922 -11.014 2.450 1.00 0.44 N ATOM 1377 CA HIS A 86 -3.133 -11.841 2.465 1.00 0.59 C ATOM 1378 C HIS A 86 -3.007 -13.012 1.493 1.00 0.63 C ATOM 1379 O HIS A 86 -3.429 -14.131 1.779 1.00 0.72 O ATOM 1380 CB HIS A 86 -4.372 -11.018 2.125 1.00 0.69 C ATOM 1381 CG HIS A 86 -5.650 -11.725 2.466 1.00 1.28 C ATOM 1382 ND1 HIS A 86 -6.337 -12.524 1.574 1.00 2.06 N ATOM 1383 CD2 HIS A 86 -6.353 -11.768 3.622 1.00 2.11 C ATOM 1384 CE1 HIS A 86 -7.404 -13.027 2.171 1.00 2.66 C ATOM 1385 NE2 HIS A 86 -7.435 -12.583 3.413 1.00 2.68 N ATOM 0 H HIS A 86 -1.956 -10.218 1.813 1.00 0.44 H new ATOM 0 HA HIS A 86 -3.245 -12.232 3.476 1.00 0.59 H new ATOM 0 HB2 HIS A 86 -4.332 -10.070 2.662 1.00 0.69 H new ATOM 0 HB3 HIS A 86 -4.365 -10.782 1.061 1.00 0.69 H new ATOM 0 HD2 HIS A 86 -6.107 -11.255 4.540 1.00 2.11 H new ATOM 0 HE1 HIS A 86 -8.128 -13.689 1.719 1.00 2.66 H new ATOM 0 HE2 HIS A 86 -8.149 -12.810 4.106 1.00 2.68 H new ATOM 1394 N TYR A 87 -2.409 -12.735 0.348 1.00 0.58 N ATOM 1395 CA TYR A 87 -2.157 -13.723 -0.700 1.00 0.65 C ATOM 1396 C TYR A 87 -0.861 -14.469 -0.385 1.00 0.62 C ATOM 1397 O TYR A 87 -0.154 -14.922 -1.285 1.00 0.66 O ATOM 1398 CB TYR A 87 -2.101 -13.051 -2.078 1.00 0.69 C ATOM 1399 CG TYR A 87 -2.206 -13.998 -3.254 1.00 0.87 C ATOM 1400 CD1 TYR A 87 -3.277 -14.876 -3.376 1.00 1.44 C ATOM 1401 CD2 TYR A 87 -1.236 -14.006 -4.247 1.00 1.62 C ATOM 1402 CE1 TYR A 87 -3.374 -15.735 -4.453 1.00 1.55 C ATOM 1403 CE2 TYR A 87 -1.328 -14.861 -5.328 1.00 1.80 C ATOM 1404 CZ TYR A 87 -2.398 -15.723 -5.427 1.00 1.29 C ATOM 1405 OH TYR A 87 -2.493 -16.578 -6.503 1.00 1.52 O ATOM 0 H TYR A 87 -2.076 -11.800 0.111 1.00 0.58 H new ATOM 0 HA TYR A 87 -2.976 -14.442 -0.728 1.00 0.65 H new ATOM 0 HB2 TYR A 87 -2.909 -12.322 -2.144 1.00 0.69 H new ATOM 0 HB3 TYR A 87 -1.165 -12.498 -2.158 1.00 0.69 H new ATOM 0 HD1 TYR A 87 -4.045 -14.886 -2.617 1.00 1.44 H new ATOM 0 HD2 TYR A 87 -0.395 -13.332 -4.173 1.00 1.62 H new ATOM 0 HE1 TYR A 87 -4.211 -16.413 -4.532 1.00 1.55 H new ATOM 0 HE2 TYR A 87 -0.565 -14.854 -6.092 1.00 1.80 H new ATOM 0 HH TYR A 87 -1.726 -16.442 -7.097 1.00 1.52 H new ATOM 1415 N HIS A 88 -0.519 -14.453 0.910 1.00 0.59 N ATOM 1416 CA HIS A 88 0.716 -15.016 1.495 1.00 0.62 C ATOM 1417 C HIS A 88 1.041 -16.467 1.079 1.00 0.69 C ATOM 1418 O HIS A 88 1.812 -17.147 1.755 1.00 0.75 O ATOM 1419 CB HIS A 88 0.602 -14.933 3.026 1.00 0.65 C ATOM 1420 CG HIS A 88 1.902 -15.085 3.762 1.00 1.54 C ATOM 1421 ND1 HIS A 88 2.878 -14.117 3.772 1.00 2.37 N ATOM 1422 CD2 HIS A 88 2.375 -16.099 4.526 1.00 2.40 C ATOM 1423 CE1 HIS A 88 3.894 -14.528 4.507 1.00 3.25 C ATOM 1424 NE2 HIS A 88 3.615 -15.727 4.977 1.00 3.26 N ATOM 0 H HIS A 88 -1.121 -14.028 1.616 1.00 0.59 H new ATOM 0 HA HIS A 88 1.541 -14.420 1.105 1.00 0.62 H new ATOM 0 HB2 HIS A 88 0.160 -13.973 3.292 1.00 0.65 H new ATOM 0 HB3 HIS A 88 -0.086 -15.706 3.368 1.00 0.65 H new ATOM 0 HD1 HIS A 88 2.825 -13.221 3.287 1.00 2.37 H new ATOM 0 HD2 HIS A 88 1.869 -17.029 4.740 1.00 2.40 H new ATOM 0 HE1 HIS A 88 4.802 -13.974 4.692 1.00 3.25 H new ATOM 1433 N THR A 89 0.474 -16.950 -0.010 1.00 0.73 N ATOM 1434 CA THR A 89 0.861 -18.247 -0.530 1.00 0.81 C ATOM 1435 C THR A 89 2.304 -18.154 -1.010 1.00 0.72 C ATOM 1436 O THR A 89 3.084 -19.095 -0.872 1.00 1.05 O ATOM 1437 CB THR A 89 -0.065 -18.719 -1.680 1.00 0.97 C ATOM 1438 OG1 THR A 89 0.483 -19.882 -2.311 1.00 1.26 O ATOM 1439 CG2 THR A 89 -0.271 -17.628 -2.721 1.00 0.89 C ATOM 0 H THR A 89 -0.248 -16.470 -0.547 1.00 0.73 H new ATOM 0 HA THR A 89 0.767 -18.988 0.264 1.00 0.81 H new ATOM 0 HB THR A 89 -1.034 -18.959 -1.241 1.00 0.97 H new ATOM 0 HG1 THR A 89 1.227 -19.619 -2.892 1.00 1.26 H new ATOM 0 HG21 THR A 89 -0.926 -17.997 -3.510 1.00 0.89 H new ATOM 0 HG22 THR A 89 -0.726 -16.757 -2.250 1.00 0.89 H new ATOM 0 HG23 THR A 89 0.691 -17.347 -3.149 1.00 0.89 H new ATOM 1447 N HIS A 90 2.633 -16.977 -1.546 1.00 0.65 N ATOM 1448 CA HIS A 90 3.987 -16.613 -1.962 1.00 0.64 C ATOM 1449 C HIS A 90 3.933 -15.335 -2.790 1.00 0.93 C ATOM 1450 O HIS A 90 4.873 -14.546 -2.796 1.00 1.77 O ATOM 1451 CB HIS A 90 4.694 -17.733 -2.761 1.00 0.91 C ATOM 1452 CG HIS A 90 3.971 -18.202 -3.993 1.00 1.72 C ATOM 1453 ND1 HIS A 90 3.001 -19.182 -3.970 1.00 2.44 N ATOM 1454 CD2 HIS A 90 4.100 -17.838 -5.290 1.00 2.68 C ATOM 1455 CE1 HIS A 90 2.568 -19.399 -5.196 1.00 3.33 C ATOM 1456 NE2 HIS A 90 3.218 -18.596 -6.015 1.00 3.47 N ATOM 0 H HIS A 90 1.951 -16.236 -1.706 1.00 0.65 H new ATOM 0 HA HIS A 90 4.575 -16.456 -1.058 1.00 0.64 H new ATOM 0 HB2 HIS A 90 5.682 -17.379 -3.053 1.00 0.91 H new ATOM 0 HB3 HIS A 90 4.844 -18.587 -2.101 1.00 0.91 H new ATOM 0 HD2 HIS A 90 4.773 -17.089 -5.681 1.00 2.68 H new ATOM 0 HE1 HIS A 90 1.810 -20.113 -5.481 1.00 3.33 H new ATOM 0 HE2 HIS A 90 3.086 -18.547 -7.025 1.00 3.47 H new ATOM 1465 N LYS A 91 2.801 -15.150 -3.477 1.00 0.91 N ATOM 1466 CA LYS A 91 2.585 -14.045 -4.418 1.00 1.63 C ATOM 1467 C LYS A 91 3.421 -14.269 -5.664 1.00 2.59 C ATOM 1468 O LYS A 91 2.909 -14.258 -6.782 1.00 3.47 O ATOM 1469 CB LYS A 91 2.927 -12.671 -3.820 1.00 1.09 C ATOM 1470 CG LYS A 91 2.507 -11.511 -4.717 1.00 1.28 C ATOM 1471 CD LYS A 91 3.408 -10.290 -4.558 1.00 0.87 C ATOM 1472 CE LYS A 91 4.753 -10.495 -5.245 1.00 0.78 C ATOM 1473 NZ LYS A 91 4.630 -10.481 -6.730 1.00 1.28 N ATOM 0 H LYS A 91 1.997 -15.772 -3.394 1.00 0.91 H new ATOM 0 HA LYS A 91 1.522 -14.037 -4.659 1.00 1.63 H new ATOM 0 HB2 LYS A 91 2.437 -12.570 -2.851 1.00 1.09 H new ATOM 0 HB3 LYS A 91 4.001 -12.615 -3.642 1.00 1.09 H new ATOM 0 HG2 LYS A 91 2.523 -11.837 -5.757 1.00 1.28 H new ATOM 0 HG3 LYS A 91 1.479 -11.232 -4.486 1.00 1.28 H new ATOM 0 HD2 LYS A 91 2.913 -9.414 -4.978 1.00 0.87 H new ATOM 0 HD3 LYS A 91 3.566 -10.089 -3.498 1.00 0.87 H new ATOM 0 HE2 LYS A 91 5.443 -9.712 -4.931 1.00 0.78 H new ATOM 0 HE3 LYS A 91 5.182 -11.445 -4.926 1.00 0.78 H new ATOM 0 HZ1 LYS A 91 5.555 -10.691 -7.157 1.00 1.28 H new ATOM 0 HZ2 LYS A 91 3.940 -11.200 -7.028 1.00 1.28 H new ATOM 0 HZ3 LYS A 91 4.309 -9.542 -7.043 1.00 1.28 H new ATOM 1487 N GLU A 92 4.705 -14.489 -5.449 1.00 2.69 N ATOM 1488 CA GLU A 92 5.648 -14.674 -6.540 1.00 3.81 C ATOM 1489 C GLU A 92 6.951 -15.258 -6.012 1.00 4.36 C ATOM 1490 O GLU A 92 7.838 -14.476 -5.619 1.00 4.92 O ATOM 1491 CB GLU A 92 5.896 -13.332 -7.229 1.00 4.66 C ATOM 1492 CG GLU A 92 6.783 -13.400 -8.458 1.00 5.75 C ATOM 1493 CD GLU A 92 6.913 -12.050 -9.129 1.00 6.58 C ATOM 1494 OE1 GLU A 92 6.664 -11.024 -8.458 1.00 7.00 O ATOM 1495 OE2 GLU A 92 7.263 -12.002 -10.329 1.00 7.09 O ATOM 1496 OXT GLU A 92 7.074 -16.500 -5.977 1.00 4.64 O ATOM 0 H GLU A 92 5.123 -14.545 -4.520 1.00 2.69 H new ATOM 0 HA GLU A 92 5.233 -15.372 -7.267 1.00 3.81 H new ATOM 0 HB2 GLU A 92 4.935 -12.904 -7.515 1.00 4.66 H new ATOM 0 HB3 GLU A 92 6.348 -12.649 -6.510 1.00 4.66 H new ATOM 0 HG2 GLU A 92 7.771 -13.762 -8.174 1.00 5.75 H new ATOM 0 HG3 GLU A 92 6.371 -14.120 -9.165 1.00 5.75 H new TER 1503 GLU A 92 ATOM 1504 N MET B 1 12.909 -7.303 17.828 1.00 4.70 N ATOM 1505 CA MET B 1 12.650 -5.997 17.183 1.00 4.22 C ATOM 1506 C MET B 1 11.331 -6.045 16.432 1.00 3.60 C ATOM 1507 O MET B 1 11.016 -7.045 15.787 1.00 4.04 O ATOM 1508 CB MET B 1 13.782 -5.640 16.209 1.00 4.51 C ATOM 1509 CG MET B 1 15.130 -5.401 16.876 1.00 5.00 C ATOM 1510 SD MET B 1 15.812 -6.888 17.639 1.00 5.79 S ATOM 1511 CE MET B 1 17.350 -6.254 18.303 1.00 6.42 C ATOM 0 H1 MET B 1 13.920 -7.382 18.059 1.00 4.70 H new ATOM 0 H2 MET B 1 12.348 -7.377 18.701 1.00 4.70 H new ATOM 0 H3 MET B 1 12.641 -8.070 17.179 1.00 4.70 H new ATOM 0 HA MET B 1 12.601 -5.233 17.959 1.00 4.22 H new ATOM 0 HB2 MET B 1 13.887 -6.445 15.482 1.00 4.51 H new ATOM 0 HB3 MET B 1 13.500 -4.745 15.655 1.00 4.51 H new ATOM 0 HG2 MET B 1 15.834 -5.024 16.135 1.00 5.00 H new ATOM 0 HG3 MET B 1 15.021 -4.627 17.635 1.00 5.00 H new ATOM 0 HE1 MET B 1 17.887 -7.057 18.807 1.00 6.42 H new ATOM 0 HE2 MET B 1 17.962 -5.861 17.491 1.00 6.42 H new ATOM 0 HE3 MET B 1 17.138 -5.457 19.016 1.00 6.42 H new ATOM 1523 N THR B 2 10.551 -4.979 16.534 1.00 3.07 N ATOM 1524 CA THR B 2 9.303 -4.885 15.802 1.00 2.91 C ATOM 1525 C THR B 2 9.597 -4.759 14.308 1.00 2.45 C ATOM 1526 O THR B 2 10.425 -3.946 13.893 1.00 3.04 O ATOM 1527 CB THR B 2 8.440 -3.695 16.294 1.00 3.67 C ATOM 1528 OG1 THR B 2 7.194 -3.651 15.581 1.00 4.26 O ATOM 1529 CG2 THR B 2 9.167 -2.366 16.131 1.00 4.23 C ATOM 0 H THR B 2 10.763 -4.169 17.117 1.00 3.07 H new ATOM 0 HA THR B 2 8.729 -5.794 15.982 1.00 2.91 H new ATOM 0 HB THR B 2 8.248 -3.851 17.356 1.00 3.67 H new ATOM 0 HG1 THR B 2 6.659 -2.896 15.903 1.00 4.26 H new ATOM 0 HG21 THR B 2 8.530 -1.557 16.487 1.00 4.23 H new ATOM 0 HG22 THR B 2 10.090 -2.383 16.711 1.00 4.23 H new ATOM 0 HG23 THR B 2 9.402 -2.207 15.079 1.00 4.23 H new ATOM 1537 N LYS B 3 8.952 -5.592 13.511 1.00 2.16 N ATOM 1538 CA LYS B 3 9.199 -5.615 12.079 1.00 2.53 C ATOM 1539 C LYS B 3 8.340 -4.585 11.362 1.00 2.08 C ATOM 1540 O LYS B 3 8.601 -4.231 10.219 1.00 2.81 O ATOM 1541 CB LYS B 3 8.936 -7.013 11.519 1.00 3.53 C ATOM 1542 CG LYS B 3 9.928 -8.058 12.000 1.00 4.29 C ATOM 1543 CD LYS B 3 9.639 -9.417 11.388 1.00 5.37 C ATOM 1544 CE LYS B 3 10.686 -10.444 11.782 1.00 5.97 C ATOM 1545 NZ LYS B 3 10.732 -10.670 13.251 1.00 6.04 N ATOM 0 H LYS B 3 8.253 -6.262 13.831 1.00 2.16 H new ATOM 0 HA LYS B 3 10.245 -5.360 11.909 1.00 2.53 H new ATOM 0 HB2 LYS B 3 7.929 -7.324 11.799 1.00 3.53 H new ATOM 0 HB3 LYS B 3 8.965 -6.970 10.430 1.00 3.53 H new ATOM 0 HG2 LYS B 3 10.940 -7.748 11.741 1.00 4.29 H new ATOM 0 HG3 LYS B 3 9.885 -8.130 13.087 1.00 4.29 H new ATOM 0 HD2 LYS B 3 8.655 -9.759 11.709 1.00 5.37 H new ATOM 0 HD3 LYS B 3 9.607 -9.328 10.302 1.00 5.37 H new ATOM 0 HE2 LYS B 3 10.474 -11.387 11.278 1.00 5.97 H new ATOM 0 HE3 LYS B 3 11.665 -10.112 11.437 1.00 5.97 H new ATOM 0 HZ1 LYS B 3 11.361 -11.471 13.459 1.00 6.04 H new ATOM 0 HZ2 LYS B 3 11.091 -9.816 13.723 1.00 6.04 H new ATOM 0 HZ3 LYS B 3 9.775 -10.881 13.600 1.00 6.04 H new ATOM 1559 N LEU B 4 7.305 -4.116 12.053 1.00 1.61 N ATOM 1560 CA LEU B 4 6.405 -3.094 11.523 1.00 1.98 C ATOM 1561 C LEU B 4 5.582 -3.624 10.350 1.00 1.51 C ATOM 1562 O LEU B 4 4.916 -2.856 9.653 1.00 2.03 O ATOM 1563 CB LEU B 4 7.181 -1.836 11.101 1.00 3.02 C ATOM 1564 CG LEU B 4 7.932 -1.119 12.225 1.00 3.80 C ATOM 1565 CD1 LEU B 4 8.676 0.090 11.678 1.00 4.50 C ATOM 1566 CD2 LEU B 4 6.974 -0.697 13.329 1.00 4.44 C ATOM 0 H LEU B 4 7.066 -4.432 12.993 1.00 1.61 H new ATOM 0 HA LEU B 4 5.718 -2.825 12.325 1.00 1.98 H new ATOM 0 HB2 LEU B 4 7.898 -2.114 10.328 1.00 3.02 H new ATOM 0 HB3 LEU B 4 6.481 -1.133 10.649 1.00 3.02 H new ATOM 0 HG LEU B 4 8.658 -1.813 12.649 1.00 3.80 H new ATOM 0 HD11 LEU B 4 9.205 0.589 12.490 1.00 4.50 H new ATOM 0 HD12 LEU B 4 9.392 -0.234 10.923 1.00 4.50 H new ATOM 0 HD13 LEU B 4 7.964 0.783 11.229 1.00 4.50 H new ATOM 0 HD21 LEU B 4 7.529 -0.189 14.118 1.00 4.44 H new ATOM 0 HD22 LEU B 4 6.223 -0.021 12.920 1.00 4.44 H new ATOM 0 HD23 LEU B 4 6.483 -1.578 13.741 1.00 4.44 H new ATOM 1578 N GLU B 5 5.599 -4.940 10.152 1.00 1.20 N ATOM 1579 CA GLU B 5 4.800 -5.563 9.102 1.00 0.94 C ATOM 1580 C GLU B 5 3.321 -5.533 9.485 1.00 0.69 C ATOM 1581 O GLU B 5 2.441 -5.842 8.679 1.00 0.69 O ATOM 1582 CB GLU B 5 5.276 -6.995 8.828 1.00 1.39 C ATOM 1583 CG GLU B 5 5.139 -7.940 10.009 1.00 1.80 C ATOM 1584 CD GLU B 5 5.721 -9.314 9.727 1.00 2.48 C ATOM 1585 OE1 GLU B 5 5.429 -9.885 8.655 1.00 3.10 O ATOM 1586 OE2 GLU B 5 6.456 -9.839 10.592 1.00 3.00 O ATOM 0 H GLU B 5 6.156 -5.593 10.703 1.00 1.20 H new ATOM 0 HA GLU B 5 4.928 -4.996 8.180 1.00 0.94 H new ATOM 0 HB2 GLU B 5 4.710 -7.398 7.988 1.00 1.39 H new ATOM 0 HB3 GLU B 5 6.322 -6.965 8.522 1.00 1.39 H new ATOM 0 HG2 GLU B 5 5.640 -7.508 10.875 1.00 1.80 H new ATOM 0 HG3 GLU B 5 4.085 -8.042 10.268 1.00 1.80 H new ATOM 1593 N GLU B 6 3.070 -5.125 10.728 1.00 0.68 N ATOM 1594 CA GLU B 6 1.722 -4.859 11.219 1.00 0.67 C ATOM 1595 C GLU B 6 1.064 -3.758 10.384 1.00 0.54 C ATOM 1596 O GLU B 6 -0.155 -3.627 10.347 1.00 0.60 O ATOM 1597 CB GLU B 6 1.786 -4.439 12.693 1.00 0.78 C ATOM 1598 CG GLU B 6 0.436 -4.128 13.324 1.00 1.06 C ATOM 1599 CD GLU B 6 -0.481 -5.331 13.385 1.00 1.78 C ATOM 1600 OE1 GLU B 6 -0.286 -6.186 14.273 1.00 2.51 O ATOM 1601 OE2 GLU B 6 -1.418 -5.416 12.564 1.00 2.48 O ATOM 0 H GLU B 6 3.799 -4.970 11.424 1.00 0.68 H new ATOM 0 HA GLU B 6 1.123 -5.765 11.131 1.00 0.67 H new ATOM 0 HB2 GLU B 6 2.264 -5.236 13.263 1.00 0.78 H new ATOM 0 HB3 GLU B 6 2.423 -3.559 12.779 1.00 0.78 H new ATOM 0 HG2 GLU B 6 0.592 -3.746 14.333 1.00 1.06 H new ATOM 0 HG3 GLU B 6 -0.051 -3.336 12.755 1.00 1.06 H new ATOM 1608 N HIS B 7 1.880 -2.967 9.701 1.00 0.42 N ATOM 1609 CA HIS B 7 1.357 -1.934 8.828 1.00 0.38 C ATOM 1610 C HIS B 7 0.762 -2.567 7.578 1.00 0.35 C ATOM 1611 O HIS B 7 -0.329 -2.196 7.157 1.00 0.39 O ATOM 1612 CB HIS B 7 2.440 -0.911 8.465 1.00 0.43 C ATOM 1613 CG HIS B 7 2.873 -0.057 9.624 1.00 0.95 C ATOM 1614 ND1 HIS B 7 3.782 -0.286 10.602 1.00 1.73 N flip ATOM 1615 CD2 HIS B 7 2.343 1.188 9.888 1.00 1.60 C flip ATOM 1616 CE1 HIS B 7 3.783 0.809 11.429 1.00 2.16 C flip ATOM 1617 NE2 HIS B 7 2.906 1.682 10.977 1.00 2.03 N flip ATOM 0 H HIS B 7 2.898 -3.022 9.736 1.00 0.42 H new ATOM 0 HA HIS B 7 0.570 -1.398 9.358 1.00 0.38 H new ATOM 0 HB2 HIS B 7 3.308 -1.438 8.069 1.00 0.43 H new ATOM 0 HB3 HIS B 7 2.067 -0.267 7.669 1.00 0.43 H new ATOM 0 HD1 HIS B 7 4.360 -1.120 10.705 1.00 1.73 H new ATOM 0 HD2 HIS B 7 1.586 1.682 9.297 1.00 1.60 H new ATOM 0 HE1 HIS B 7 4.401 0.934 12.306 1.00 2.16 H new ATOM 1626 N LEU B 8 1.464 -3.552 7.019 1.00 0.34 N ATOM 1627 CA LEU B 8 0.983 -4.274 5.845 1.00 0.33 C ATOM 1628 C LEU B 8 -0.230 -5.121 6.190 1.00 0.34 C ATOM 1629 O LEU B 8 -1.322 -4.909 5.661 1.00 0.34 O ATOM 1630 CB LEU B 8 2.077 -5.186 5.303 1.00 0.33 C ATOM 1631 CG LEU B 8 3.376 -4.481 4.930 1.00 0.33 C ATOM 1632 CD1 LEU B 8 4.389 -5.487 4.438 1.00 0.33 C ATOM 1633 CD2 LEU B 8 3.132 -3.404 3.885 1.00 0.33 C ATOM 0 H LEU B 8 2.371 -3.868 7.363 1.00 0.34 H new ATOM 0 HA LEU B 8 0.706 -3.537 5.092 1.00 0.33 H new ATOM 0 HB2 LEU B 8 2.297 -5.949 6.050 1.00 0.33 H new ATOM 0 HB3 LEU B 8 1.695 -5.703 4.422 1.00 0.33 H new ATOM 0 HG LEU B 8 3.772 -3.994 5.821 1.00 0.33 H new ATOM 0 HD11 LEU B 8 5.313 -4.973 4.174 1.00 0.33 H new ATOM 0 HD12 LEU B 8 4.590 -6.215 5.224 1.00 0.33 H new ATOM 0 HD13 LEU B 8 3.996 -6.000 3.560 1.00 0.33 H new ATOM 0 HD21 LEU B 8 4.075 -2.917 3.637 1.00 0.33 H new ATOM 0 HD22 LEU B 8 2.711 -3.857 2.987 1.00 0.33 H new ATOM 0 HD23 LEU B 8 2.435 -2.665 4.280 1.00 0.33 H new ATOM 1645 N GLU B 9 -0.040 -6.061 7.110 1.00 0.37 N ATOM 1646 CA GLU B 9 -1.102 -6.982 7.484 1.00 0.40 C ATOM 1647 C GLU B 9 -2.237 -6.237 8.173 1.00 0.40 C ATOM 1648 O GLU B 9 -3.373 -6.705 8.206 1.00 0.42 O ATOM 1649 CB GLU B 9 -0.572 -8.087 8.396 1.00 0.48 C ATOM 1650 CG GLU B 9 0.535 -8.919 7.773 1.00 1.24 C ATOM 1651 CD GLU B 9 0.912 -10.108 8.630 1.00 1.72 C ATOM 1652 OE1 GLU B 9 1.621 -9.920 9.641 1.00 2.16 O ATOM 1653 OE2 GLU B 9 0.496 -11.240 8.303 1.00 2.41 O ATOM 0 H GLU B 9 0.839 -6.203 7.608 1.00 0.37 H new ATOM 0 HA GLU B 9 -1.484 -7.441 6.572 1.00 0.40 H new ATOM 0 HB2 GLU B 9 -0.201 -7.638 9.317 1.00 0.48 H new ATOM 0 HB3 GLU B 9 -1.397 -8.745 8.671 1.00 0.48 H new ATOM 0 HG2 GLU B 9 0.215 -9.268 6.791 1.00 1.24 H new ATOM 0 HG3 GLU B 9 1.414 -8.293 7.618 1.00 1.24 H new ATOM 1660 N GLY B 10 -1.913 -5.076 8.723 1.00 0.41 N ATOM 1661 CA GLY B 10 -2.912 -4.241 9.350 1.00 0.43 C ATOM 1662 C GLY B 10 -3.835 -3.597 8.340 1.00 0.39 C ATOM 1663 O GLY B 10 -5.030 -3.473 8.583 1.00 0.44 O ATOM 0 H GLY B 10 -0.967 -4.696 8.745 1.00 0.41 H new ATOM 0 HA2 GLY B 10 -3.499 -4.840 10.046 1.00 0.43 H new ATOM 0 HA3 GLY B 10 -2.419 -3.465 9.935 1.00 0.43 H new ATOM 1667 N ILE B 11 -3.286 -3.181 7.203 1.00 0.34 N ATOM 1668 CA ILE B 11 -4.106 -2.657 6.117 1.00 0.33 C ATOM 1669 C ILE B 11 -4.967 -3.782 5.557 1.00 0.33 C ATOM 1670 O ILE B 11 -6.144 -3.593 5.240 1.00 0.38 O ATOM 1671 CB ILE B 11 -3.244 -2.036 4.994 1.00 0.36 C ATOM 1672 CG1 ILE B 11 -2.504 -0.805 5.521 1.00 0.41 C ATOM 1673 CG2 ILE B 11 -4.099 -1.669 3.792 1.00 0.50 C ATOM 1674 CD1 ILE B 11 -1.596 -0.154 4.503 1.00 1.16 C ATOM 0 H ILE B 11 -2.284 -3.196 7.011 1.00 0.34 H new ATOM 0 HA ILE B 11 -4.738 -1.863 6.515 1.00 0.33 H new ATOM 0 HB ILE B 11 -2.512 -2.777 4.672 1.00 0.36 H new ATOM 0 HG12 ILE B 11 -3.235 -0.072 5.862 1.00 0.41 H new ATOM 0 HG13 ILE B 11 -1.912 -1.093 6.390 1.00 0.41 H new ATOM 0 HG21 ILE B 11 -3.469 -1.234 3.016 1.00 0.50 H new ATOM 0 HG22 ILE B 11 -4.586 -2.564 3.405 1.00 0.50 H new ATOM 0 HG23 ILE B 11 -4.857 -0.945 4.092 1.00 0.50 H new ATOM 0 HD11 ILE B 11 -1.107 0.711 4.952 1.00 1.16 H new ATOM 0 HD12 ILE B 11 -0.841 -0.870 4.179 1.00 1.16 H new ATOM 0 HD13 ILE B 11 -2.184 0.167 3.643 1.00 1.16 H new ATOM 1686 N VAL B 12 -4.367 -4.960 5.480 1.00 0.33 N ATOM 1687 CA VAL B 12 -5.081 -6.173 5.117 1.00 0.38 C ATOM 1688 C VAL B 12 -6.207 -6.445 6.122 1.00 0.40 C ATOM 1689 O VAL B 12 -7.275 -6.940 5.763 1.00 0.46 O ATOM 1690 CB VAL B 12 -4.105 -7.366 5.063 1.00 0.45 C ATOM 1691 CG1 VAL B 12 -4.829 -8.673 4.807 1.00 0.57 C ATOM 1692 CG2 VAL B 12 -3.059 -7.126 3.990 1.00 0.48 C ATOM 0 H VAL B 12 -3.374 -5.101 5.667 1.00 0.33 H new ATOM 0 HA VAL B 12 -5.523 -6.041 4.130 1.00 0.38 H new ATOM 0 HB VAL B 12 -3.618 -7.446 6.035 1.00 0.45 H new ATOM 0 HG11 VAL B 12 -4.107 -9.489 4.776 1.00 0.57 H new ATOM 0 HG12 VAL B 12 -5.547 -8.854 5.607 1.00 0.57 H new ATOM 0 HG13 VAL B 12 -5.354 -8.617 3.854 1.00 0.57 H new ATOM 0 HG21 VAL B 12 -2.372 -7.972 3.956 1.00 0.48 H new ATOM 0 HG22 VAL B 12 -3.549 -7.017 3.022 1.00 0.48 H new ATOM 0 HG23 VAL B 12 -2.504 -6.217 4.220 1.00 0.48 H new ATOM 1702 N ASN B 13 -5.963 -6.082 7.377 1.00 0.42 N ATOM 1703 CA ASN B 13 -6.953 -6.232 8.441 1.00 0.49 C ATOM 1704 C ASN B 13 -8.092 -5.229 8.273 1.00 0.48 C ATOM 1705 O ASN B 13 -9.243 -5.534 8.581 1.00 0.59 O ATOM 1706 CB ASN B 13 -6.295 -6.059 9.815 1.00 0.62 C ATOM 1707 CG ASN B 13 -7.298 -6.053 10.957 1.00 0.75 C ATOM 1708 OD1 ASN B 13 -7.780 -4.998 11.373 1.00 1.31 O ATOM 1709 ND2 ASN B 13 -7.611 -7.227 11.480 1.00 1.42 N ATOM 0 H ASN B 13 -5.079 -5.678 7.685 1.00 0.42 H new ATOM 0 HA ASN B 13 -7.369 -7.237 8.374 1.00 0.49 H new ATOM 0 HB2 ASN B 13 -5.578 -6.865 9.973 1.00 0.62 H new ATOM 0 HB3 ASN B 13 -5.733 -5.125 9.828 1.00 0.62 H new ATOM 0 HD21 ASN B 13 -8.272 -7.280 12.255 1.00 1.42 H new ATOM 0 HD22 ASN B 13 -7.191 -8.079 11.108 1.00 1.42 H new ATOM 1716 N ILE B 14 -7.772 -4.034 7.784 1.00 0.48 N ATOM 1717 CA ILE B 14 -8.794 -3.022 7.530 1.00 0.57 C ATOM 1718 C ILE B 14 -9.685 -3.473 6.371 1.00 0.53 C ATOM 1719 O ILE B 14 -10.909 -3.285 6.393 1.00 0.61 O ATOM 1720 CB ILE B 14 -8.180 -1.639 7.210 1.00 0.68 C ATOM 1721 CG1 ILE B 14 -7.086 -1.288 8.222 1.00 1.33 C ATOM 1722 CG2 ILE B 14 -9.262 -0.569 7.234 1.00 1.13 C ATOM 1723 CD1 ILE B 14 -6.369 0.012 7.921 1.00 2.06 C ATOM 0 H ILE B 14 -6.821 -3.744 7.557 1.00 0.48 H new ATOM 0 HA ILE B 14 -9.386 -2.914 8.439 1.00 0.57 H new ATOM 0 HB ILE B 14 -7.737 -1.682 6.215 1.00 0.68 H new ATOM 0 HG12 ILE B 14 -7.530 -1.226 9.216 1.00 1.33 H new ATOM 0 HG13 ILE B 14 -6.356 -2.097 8.249 1.00 1.33 H new ATOM 0 HG21 ILE B 14 -8.820 0.401 7.008 1.00 1.13 H new ATOM 0 HG22 ILE B 14 -10.022 -0.804 6.489 1.00 1.13 H new ATOM 0 HG23 ILE B 14 -9.720 -0.537 8.223 1.00 1.13 H new ATOM 0 HD11 ILE B 14 -5.609 0.193 8.681 1.00 2.06 H new ATOM 0 HD12 ILE B 14 -5.895 -0.052 6.942 1.00 2.06 H new ATOM 0 HD13 ILE B 14 -7.087 0.832 7.923 1.00 2.06 H new ATOM 1735 N PHE B 15 -9.063 -4.089 5.367 1.00 0.48 N ATOM 1736 CA PHE B 15 -9.805 -4.737 4.291 1.00 0.59 C ATOM 1737 C PHE B 15 -10.699 -5.810 4.894 1.00 0.61 C ATOM 1738 O PHE B 15 -11.893 -5.888 4.602 1.00 0.70 O ATOM 1739 CB PHE B 15 -8.837 -5.368 3.277 1.00 0.69 C ATOM 1740 CG PHE B 15 -9.504 -5.966 2.060 1.00 1.18 C ATOM 1741 CD1 PHE B 15 -10.290 -7.106 2.160 1.00 1.75 C ATOM 1742 CD2 PHE B 15 -9.340 -5.384 0.815 1.00 1.93 C ATOM 1743 CE1 PHE B 15 -10.896 -7.648 1.044 1.00 2.35 C ATOM 1744 CE2 PHE B 15 -9.944 -5.924 -0.304 1.00 2.54 C ATOM 1745 CZ PHE B 15 -10.723 -7.056 -0.190 1.00 2.58 C ATOM 0 H PHE B 15 -8.049 -4.152 5.278 1.00 0.48 H new ATOM 0 HA PHE B 15 -10.411 -3.997 3.768 1.00 0.59 H new ATOM 0 HB2 PHE B 15 -8.128 -4.608 2.950 1.00 0.69 H new ATOM 0 HB3 PHE B 15 -8.262 -6.146 3.779 1.00 0.69 H new ATOM 0 HD1 PHE B 15 -10.429 -7.575 3.123 1.00 1.75 H new ATOM 0 HD2 PHE B 15 -8.732 -4.497 0.717 1.00 1.93 H new ATOM 0 HE1 PHE B 15 -11.505 -8.535 1.137 1.00 2.35 H new ATOM 0 HE2 PHE B 15 -9.806 -5.459 -1.269 1.00 2.54 H new ATOM 0 HZ PHE B 15 -11.196 -7.478 -1.064 1.00 2.58 H new ATOM 1755 N HIS B 16 -10.098 -6.614 5.760 1.00 0.60 N ATOM 1756 CA HIS B 16 -10.790 -7.687 6.460 1.00 0.72 C ATOM 1757 C HIS B 16 -11.954 -7.137 7.287 1.00 0.75 C ATOM 1758 O HIS B 16 -12.913 -7.853 7.575 1.00 0.88 O ATOM 1759 CB HIS B 16 -9.783 -8.423 7.353 1.00 0.77 C ATOM 1760 CG HIS B 16 -10.309 -9.656 8.021 1.00 1.16 C ATOM 1761 ND1 HIS B 16 -10.433 -10.866 7.378 1.00 1.82 N ATOM 1762 CD2 HIS B 16 -10.706 -9.869 9.295 1.00 1.85 C ATOM 1763 CE1 HIS B 16 -10.882 -11.769 8.225 1.00 2.22 C ATOM 1764 NE2 HIS B 16 -11.057 -11.192 9.399 1.00 2.23 N ATOM 0 H HIS B 16 -9.109 -6.539 5.998 1.00 0.60 H new ATOM 0 HA HIS B 16 -11.209 -8.384 5.734 1.00 0.72 H new ATOM 0 HB2 HIS B 16 -8.918 -8.697 6.749 1.00 0.77 H new ATOM 0 HB3 HIS B 16 -9.431 -7.734 8.121 1.00 0.77 H new ATOM 0 HD2 HIS B 16 -10.741 -9.134 10.086 1.00 1.85 H new ATOM 0 HE1 HIS B 16 -11.075 -12.807 7.997 1.00 2.22 H new ATOM 0 HE2 HIS B 16 -11.397 -11.653 10.243 1.00 2.23 H new ATOM 1773 N GLN B 17 -11.874 -5.861 7.649 1.00 0.70 N ATOM 1774 CA GLN B 17 -12.915 -5.222 8.440 1.00 0.82 C ATOM 1775 C GLN B 17 -14.183 -5.037 7.610 1.00 0.93 C ATOM 1776 O GLN B 17 -15.230 -5.589 7.956 1.00 1.18 O ATOM 1777 CB GLN B 17 -12.418 -3.881 9.003 1.00 0.85 C ATOM 1778 CG GLN B 17 -13.357 -3.244 10.021 1.00 1.27 C ATOM 1779 CD GLN B 17 -14.527 -2.516 9.387 1.00 1.99 C ATOM 1780 OE1 GLN B 17 -14.412 -1.963 8.295 1.00 2.60 O ATOM 1781 NE2 GLN B 17 -15.666 -2.525 10.061 1.00 2.77 N ATOM 0 H GLN B 17 -11.096 -5.249 7.405 1.00 0.70 H new ATOM 0 HA GLN B 17 -13.158 -5.870 9.282 1.00 0.82 H new ATOM 0 HB2 GLN B 17 -11.445 -4.034 9.469 1.00 0.85 H new ATOM 0 HB3 GLN B 17 -12.270 -3.185 8.177 1.00 0.85 H new ATOM 0 HG2 GLN B 17 -13.738 -4.018 10.687 1.00 1.27 H new ATOM 0 HG3 GLN B 17 -12.793 -2.543 10.636 1.00 1.27 H new ATOM 0 HE21 GLN B 17 -15.720 -2.995 10.964 1.00 2.77 H new ATOM 0 HE22 GLN B 17 -16.490 -2.062 9.677 1.00 2.77 H new ATOM 1790 N TYR B 18 -14.105 -4.283 6.507 1.00 0.85 N ATOM 1791 CA TYR B 18 -15.290 -4.090 5.670 1.00 1.08 C ATOM 1792 C TYR B 18 -15.620 -5.357 4.876 1.00 1.34 C ATOM 1793 O TYR B 18 -16.636 -5.429 4.186 1.00 1.77 O ATOM 1794 CB TYR B 18 -15.146 -2.874 4.742 1.00 1.22 C ATOM 1795 CG TYR B 18 -14.222 -3.050 3.555 1.00 2.34 C ATOM 1796 CD1 TYR B 18 -14.702 -3.535 2.344 1.00 3.14 C ATOM 1797 CD2 TYR B 18 -12.885 -2.693 3.628 1.00 3.25 C ATOM 1798 CE1 TYR B 18 -13.875 -3.664 1.247 1.00 4.38 C ATOM 1799 CE2 TYR B 18 -12.053 -2.812 2.530 1.00 4.48 C ATOM 1800 CZ TYR B 18 -12.554 -3.299 1.345 1.00 4.93 C ATOM 1801 OH TYR B 18 -11.733 -3.410 0.250 1.00 6.25 O ATOM 0 H TYR B 18 -13.261 -3.811 6.182 1.00 0.85 H new ATOM 0 HA TYR B 18 -16.126 -3.886 6.339 1.00 1.08 H new ATOM 0 HB2 TYR B 18 -16.135 -2.606 4.371 1.00 1.22 H new ATOM 0 HB3 TYR B 18 -14.789 -2.031 5.333 1.00 1.22 H new ATOM 0 HD1 TYR B 18 -15.741 -3.816 2.260 1.00 3.14 H new ATOM 0 HD2 TYR B 18 -12.486 -2.316 4.558 1.00 3.25 H new ATOM 0 HE1 TYR B 18 -14.264 -4.050 0.316 1.00 4.38 H new ATOM 0 HE2 TYR B 18 -11.015 -2.524 2.602 1.00 4.48 H new ATOM 0 HH TYR B 18 -11.096 -4.141 0.392 1.00 6.25 H new ATOM 1811 N SER B 19 -14.758 -6.361 4.991 1.00 1.32 N ATOM 1812 CA SER B 19 -15.015 -7.677 4.419 1.00 1.78 C ATOM 1813 C SER B 19 -15.844 -8.512 5.401 1.00 1.86 C ATOM 1814 O SER B 19 -15.966 -9.733 5.265 1.00 2.32 O ATOM 1815 CB SER B 19 -13.683 -8.371 4.102 1.00 2.38 C ATOM 1816 OG SER B 19 -13.864 -9.599 3.418 1.00 3.02 O ATOM 0 H SER B 19 -13.866 -6.286 5.481 1.00 1.32 H new ATOM 0 HA SER B 19 -15.579 -7.571 3.492 1.00 1.78 H new ATOM 0 HB2 SER B 19 -13.066 -7.708 3.496 1.00 2.38 H new ATOM 0 HB3 SER B 19 -13.140 -8.551 5.030 1.00 2.38 H new ATOM 0 HG SER B 19 -14.807 -9.861 3.461 1.00 3.02 H new ATOM 1822 N VAL B 20 -16.400 -7.829 6.403 1.00 2.11 N ATOM 1823 CA VAL B 20 -17.257 -8.444 7.416 1.00 2.49 C ATOM 1824 C VAL B 20 -16.493 -9.528 8.187 1.00 2.64 C ATOM 1825 O VAL B 20 -17.046 -10.556 8.583 1.00 3.25 O ATOM 1826 CB VAL B 20 -18.559 -9.017 6.805 1.00 3.30 C ATOM 1827 CG1 VAL B 20 -19.591 -9.292 7.888 1.00 3.90 C ATOM 1828 CG2 VAL B 20 -19.133 -8.064 5.766 1.00 4.12 C ATOM 0 H VAL B 20 -16.267 -6.826 6.535 1.00 2.11 H new ATOM 0 HA VAL B 20 -17.548 -7.660 8.115 1.00 2.49 H new ATOM 0 HB VAL B 20 -18.311 -9.959 6.315 1.00 3.30 H new ATOM 0 HG11 VAL B 20 -20.497 -9.694 7.434 1.00 3.90 H new ATOM 0 HG12 VAL B 20 -19.189 -10.015 8.598 1.00 3.90 H new ATOM 0 HG13 VAL B 20 -19.827 -8.364 8.409 1.00 3.90 H new ATOM 0 HG21 VAL B 20 -20.047 -8.487 5.350 1.00 4.12 H new ATOM 0 HG22 VAL B 20 -19.357 -7.106 6.235 1.00 4.12 H new ATOM 0 HG23 VAL B 20 -18.406 -7.915 4.968 1.00 4.12 H new ATOM 1838 N ARG B 21 -15.199 -9.279 8.363 1.00 2.81 N ATOM 1839 CA ARG B 21 -14.329 -10.103 9.199 1.00 3.56 C ATOM 1840 C ARG B 21 -14.301 -11.572 8.776 1.00 3.97 C ATOM 1841 O ARG B 21 -14.169 -12.457 9.619 1.00 4.56 O ATOM 1842 CB ARG B 21 -14.738 -9.991 10.668 1.00 4.19 C ATOM 1843 CG ARG B 21 -14.619 -8.584 11.227 1.00 4.83 C ATOM 1844 CD ARG B 21 -14.935 -8.555 12.710 1.00 5.37 C ATOM 1845 NE ARG B 21 -14.016 -9.391 13.478 1.00 5.88 N ATOM 1846 CZ ARG B 21 -14.239 -9.793 14.724 1.00 6.57 C ATOM 1847 NH1 ARG B 21 -15.347 -9.429 15.353 1.00 6.84 N ATOM 1848 NH2 ARG B 21 -13.346 -10.551 15.346 1.00 7.28 N ATOM 0 H ARG B 21 -14.719 -8.492 7.926 1.00 2.81 H new ATOM 0 HA ARG B 21 -13.319 -9.716 9.065 1.00 3.56 H new ATOM 0 HB2 ARG B 21 -15.768 -10.330 10.776 1.00 4.19 H new ATOM 0 HB3 ARG B 21 -14.117 -10.662 11.261 1.00 4.19 H new ATOM 0 HG2 ARG B 21 -13.610 -8.208 11.060 1.00 4.83 H new ATOM 0 HG3 ARG B 21 -15.299 -7.919 10.694 1.00 4.83 H new ATOM 0 HD2 ARG B 21 -14.882 -7.529 13.073 1.00 5.37 H new ATOM 0 HD3 ARG B 21 -15.957 -8.897 12.870 1.00 5.37 H new ATOM 0 HE ARG B 21 -13.148 -9.685 13.029 1.00 5.88 H new ATOM 0 HH11 ARG B 21 -16.031 -8.839 14.880 1.00 6.84 H new ATOM 0 HH12 ARG B 21 -15.516 -9.739 16.310 1.00 6.84 H new ATOM 0 HH21 ARG B 21 -12.488 -10.825 14.867 1.00 7.28 H new ATOM 0 HH22 ARG B 21 -13.517 -10.860 16.303 1.00 7.28 H new ATOM 1862 N LYS B 22 -14.408 -11.836 7.480 1.00 4.14 N ATOM 1863 CA LYS B 22 -14.267 -13.200 6.983 1.00 4.91 C ATOM 1864 C LYS B 22 -13.862 -13.212 5.514 1.00 5.05 C ATOM 1865 O LYS B 22 -12.754 -13.627 5.174 1.00 5.59 O ATOM 1866 CB LYS B 22 -15.555 -14.005 7.192 1.00 5.69 C ATOM 1867 CG LYS B 22 -15.447 -15.449 6.718 1.00 6.45 C ATOM 1868 CD LYS B 22 -16.583 -16.311 7.249 1.00 7.33 C ATOM 1869 CE LYS B 22 -17.943 -15.804 6.802 1.00 8.20 C ATOM 1870 NZ LYS B 22 -19.047 -16.646 7.335 1.00 8.71 N ATOM 0 H LYS B 22 -14.589 -11.135 6.762 1.00 4.14 H new ATOM 0 HA LYS B 22 -13.473 -13.676 7.559 1.00 4.91 H new ATOM 0 HB2 LYS B 22 -15.813 -13.996 8.251 1.00 5.69 H new ATOM 0 HB3 LYS B 22 -16.371 -13.516 6.661 1.00 5.69 H new ATOM 0 HG2 LYS B 22 -15.452 -15.474 5.628 1.00 6.45 H new ATOM 0 HG3 LYS B 22 -14.494 -15.866 7.042 1.00 6.45 H new ATOM 0 HD2 LYS B 22 -16.449 -17.337 6.907 1.00 7.33 H new ATOM 0 HD3 LYS B 22 -16.544 -16.330 8.338 1.00 7.33 H new ATOM 0 HE2 LYS B 22 -18.076 -14.775 7.137 1.00 8.20 H new ATOM 0 HE3 LYS B 22 -17.987 -15.793 5.713 1.00 8.20 H new ATOM 0 HZ1 LYS B 22 -19.960 -16.269 7.009 1.00 8.71 H new ATOM 0 HZ2 LYS B 22 -18.934 -17.622 6.995 1.00 8.71 H new ATOM 0 HZ3 LYS B 22 -19.020 -16.636 8.375 1.00 8.71 H new ATOM 1884 N GLY B 23 -14.750 -12.759 4.645 1.00 4.89 N ATOM 1885 CA GLY B 23 -14.448 -12.756 3.233 1.00 5.27 C ATOM 1886 C GLY B 23 -15.591 -12.228 2.398 1.00 5.26 C ATOM 1887 O GLY B 23 -16.063 -11.112 2.623 1.00 5.68 O ATOM 0 H GLY B 23 -15.670 -12.395 4.892 1.00 4.89 H new ATOM 0 HA2 GLY B 23 -13.561 -12.147 3.056 1.00 5.27 H new ATOM 0 HA3 GLY B 23 -14.207 -13.770 2.914 1.00 5.27 H new ATOM 1891 N HIS B 24 -16.043 -13.043 1.449 1.00 5.16 N ATOM 1892 CA HIS B 24 -17.084 -12.647 0.502 1.00 5.45 C ATOM 1893 C HIS B 24 -16.627 -11.450 -0.314 1.00 5.00 C ATOM 1894 O HIS B 24 -17.409 -10.551 -0.619 1.00 5.43 O ATOM 1895 CB HIS B 24 -18.403 -12.329 1.217 1.00 6.30 C ATOM 1896 CG HIS B 24 -19.066 -13.524 1.823 1.00 6.93 C ATOM 1897 ND1 HIS B 24 -19.218 -13.691 3.181 1.00 7.56 N ATOM 1898 CD2 HIS B 24 -19.629 -14.610 1.246 1.00 7.35 C ATOM 1899 CE1 HIS B 24 -19.845 -14.828 3.415 1.00 8.27 C ATOM 1900 NE2 HIS B 24 -20.106 -15.405 2.258 1.00 8.17 N ATOM 0 H HIS B 24 -15.700 -13.994 1.314 1.00 5.16 H new ATOM 0 HA HIS B 24 -17.262 -13.488 -0.168 1.00 5.45 H new ATOM 0 HB2 HIS B 24 -18.213 -11.595 2.000 1.00 6.30 H new ATOM 0 HB3 HIS B 24 -19.088 -11.867 0.506 1.00 6.30 H new ATOM 0 HD2 HIS B 24 -19.692 -14.813 0.187 1.00 7.35 H new ATOM 0 HE1 HIS B 24 -20.101 -15.220 4.388 1.00 8.27 H new ATOM 0 HE2 HIS B 24 -20.585 -16.297 2.135 1.00 8.17 H new ATOM 1909 N PHE B 25 -15.353 -11.453 -0.676 1.00 4.49 N ATOM 1910 CA PHE B 25 -14.762 -10.352 -1.422 1.00 4.32 C ATOM 1911 C PHE B 25 -15.061 -10.484 -2.912 1.00 3.72 C ATOM 1912 O PHE B 25 -14.160 -10.530 -3.746 1.00 3.96 O ATOM 1913 CB PHE B 25 -13.248 -10.270 -1.164 1.00 4.90 C ATOM 1914 CG PHE B 25 -12.539 -11.599 -1.141 1.00 5.62 C ATOM 1915 CD1 PHE B 25 -12.010 -12.144 -2.300 1.00 6.16 C ATOM 1916 CD2 PHE B 25 -12.392 -12.296 0.049 1.00 6.16 C ATOM 1917 CE1 PHE B 25 -11.353 -13.359 -2.274 1.00 7.10 C ATOM 1918 CE2 PHE B 25 -11.734 -13.510 0.081 1.00 7.09 C ATOM 1919 CZ PHE B 25 -11.214 -14.043 -1.082 1.00 7.50 C ATOM 0 H PHE B 25 -14.705 -12.211 -0.463 1.00 4.49 H new ATOM 0 HA PHE B 25 -15.212 -9.423 -1.073 1.00 4.32 H new ATOM 0 HB2 PHE B 25 -12.795 -9.646 -1.935 1.00 4.90 H new ATOM 0 HB3 PHE B 25 -13.083 -9.769 -0.210 1.00 4.90 H new ATOM 0 HD1 PHE B 25 -12.113 -11.613 -3.235 1.00 6.16 H new ATOM 0 HD2 PHE B 25 -12.797 -11.885 0.962 1.00 6.16 H new ATOM 0 HE1 PHE B 25 -10.948 -13.774 -3.185 1.00 7.10 H new ATOM 0 HE2 PHE B 25 -11.626 -14.042 1.015 1.00 7.09 H new ATOM 0 HZ PHE B 25 -10.700 -14.992 -1.060 1.00 7.50 H new ATOM 1929 N ASP B 26 -16.343 -10.550 -3.236 1.00 3.50 N ATOM 1930 CA ASP B 26 -16.773 -10.674 -4.618 1.00 3.49 C ATOM 1931 C ASP B 26 -17.377 -9.367 -5.113 1.00 3.06 C ATOM 1932 O ASP B 26 -17.080 -8.913 -6.219 1.00 3.62 O ATOM 1933 CB ASP B 26 -17.787 -11.809 -4.765 1.00 4.40 C ATOM 1934 CG ASP B 26 -18.203 -12.020 -6.205 1.00 5.10 C ATOM 1935 OD1 ASP B 26 -17.427 -12.634 -6.967 1.00 5.62 O ATOM 1936 OD2 ASP B 26 -19.304 -11.564 -6.585 1.00 5.49 O ATOM 0 H ASP B 26 -17.105 -10.520 -2.558 1.00 3.50 H new ATOM 0 HA ASP B 26 -15.898 -10.905 -5.225 1.00 3.49 H new ATOM 0 HB2 ASP B 26 -17.357 -12.731 -4.374 1.00 4.40 H new ATOM 0 HB3 ASP B 26 -18.668 -11.587 -4.163 1.00 4.40 H new ATOM 1941 N THR B 27 -18.228 -8.762 -4.294 1.00 2.56 N ATOM 1942 CA THR B 27 -18.833 -7.490 -4.650 1.00 2.53 C ATOM 1943 C THR B 27 -17.932 -6.338 -4.212 1.00 1.72 C ATOM 1944 O THR B 27 -17.178 -5.806 -5.023 1.00 2.30 O ATOM 1945 CB THR B 27 -20.228 -7.329 -4.019 1.00 3.34 C ATOM 1946 OG1 THR B 27 -20.909 -8.591 -4.013 1.00 3.84 O ATOM 1947 CG2 THR B 27 -21.057 -6.312 -4.790 1.00 3.95 C ATOM 0 H THR B 27 -18.512 -9.130 -3.386 1.00 2.56 H new ATOM 0 HA THR B 27 -18.949 -7.471 -5.734 1.00 2.53 H new ATOM 0 HB THR B 27 -20.101 -6.974 -2.996 1.00 3.34 H new ATOM 0 HG1 THR B 27 -21.795 -8.483 -3.609 1.00 3.84 H new ATOM 0 HG21 THR B 27 -22.038 -6.215 -4.326 1.00 3.95 H new ATOM 0 HG22 THR B 27 -20.552 -5.346 -4.776 1.00 3.95 H new ATOM 0 HG23 THR B 27 -21.175 -6.645 -5.821 1.00 3.95 H new ATOM 1955 N LEU B 28 -18.001 -5.984 -2.921 1.00 1.15 N ATOM 1956 CA LEU B 28 -17.164 -4.926 -2.345 1.00 0.90 C ATOM 1957 C LEU B 28 -17.129 -3.694 -3.240 1.00 0.71 C ATOM 1958 O LEU B 28 -16.067 -3.251 -3.684 1.00 0.76 O ATOM 1959 CB LEU B 28 -15.744 -5.438 -2.077 1.00 1.66 C ATOM 1960 CG LEU B 28 -15.554 -6.202 -0.760 1.00 2.02 C ATOM 1961 CD1 LEU B 28 -16.513 -7.374 -0.658 1.00 2.91 C ATOM 1962 CD2 LEU B 28 -14.121 -6.684 -0.630 1.00 2.37 C ATOM 0 H LEU B 28 -18.635 -6.421 -2.252 1.00 1.15 H new ATOM 0 HA LEU B 28 -17.611 -4.635 -1.394 1.00 0.90 H new ATOM 0 HB2 LEU B 28 -15.450 -6.089 -2.900 1.00 1.66 H new ATOM 0 HB3 LEU B 28 -15.062 -4.587 -2.085 1.00 1.66 H new ATOM 0 HG LEU B 28 -15.773 -5.516 0.058 1.00 2.02 H new ATOM 0 HD11 LEU B 28 -16.353 -7.894 0.286 1.00 2.91 H new ATOM 0 HD12 LEU B 28 -17.539 -7.009 -0.702 1.00 2.91 H new ATOM 0 HD13 LEU B 28 -16.337 -8.061 -1.485 1.00 2.91 H new ATOM 0 HD21 LEU B 28 -14.003 -7.224 0.309 1.00 2.37 H new ATOM 0 HD22 LEU B 28 -13.883 -7.347 -1.462 1.00 2.37 H new ATOM 0 HD23 LEU B 28 -13.446 -5.828 -0.644 1.00 2.37 H new ATOM 1974 N SER B 29 -18.301 -3.151 -3.507 1.00 0.61 N ATOM 1975 CA SER B 29 -18.423 -2.020 -4.400 1.00 0.48 C ATOM 1976 C SER B 29 -18.095 -0.708 -3.689 1.00 0.44 C ATOM 1977 O SER B 29 -17.607 -0.719 -2.555 1.00 0.53 O ATOM 1978 CB SER B 29 -19.821 -1.972 -4.997 1.00 0.55 C ATOM 1979 OG SER B 29 -20.152 -3.208 -5.606 1.00 1.35 O ATOM 0 H SER B 29 -19.184 -3.478 -3.115 1.00 0.61 H new ATOM 0 HA SER B 29 -17.699 -2.146 -5.205 1.00 0.48 H new ATOM 0 HB2 SER B 29 -20.546 -1.740 -4.217 1.00 0.55 H new ATOM 0 HB3 SER B 29 -19.879 -1.171 -5.734 1.00 0.55 H new ATOM 0 HG SER B 29 -19.554 -3.369 -6.365 1.00 1.35 H new ATOM 1985 N LYS B 30 -18.357 0.414 -4.356 1.00 0.38 N ATOM 1986 CA LYS B 30 -17.947 1.724 -3.857 1.00 0.36 C ATOM 1987 C LYS B 30 -18.441 1.970 -2.434 1.00 0.36 C ATOM 1988 O LYS B 30 -17.780 2.647 -1.663 1.00 0.37 O ATOM 1989 CB LYS B 30 -18.471 2.831 -4.768 1.00 0.39 C ATOM 1990 CG LYS B 30 -17.620 4.095 -4.743 1.00 0.41 C ATOM 1991 CD LYS B 30 -18.298 5.253 -5.461 1.00 0.50 C ATOM 1992 CE LYS B 30 -19.009 4.800 -6.727 1.00 0.52 C ATOM 1993 NZ LYS B 30 -19.610 5.928 -7.480 1.00 1.32 N ATOM 0 H LYS B 30 -18.853 0.441 -5.247 1.00 0.38 H new ATOM 0 HA LYS B 30 -16.857 1.736 -3.850 1.00 0.36 H new ATOM 0 HB2 LYS B 30 -18.520 2.456 -5.790 1.00 0.39 H new ATOM 0 HB3 LYS B 30 -19.489 3.083 -4.472 1.00 0.39 H new ATOM 0 HG2 LYS B 30 -17.420 4.377 -3.709 1.00 0.41 H new ATOM 0 HG3 LYS B 30 -16.656 3.893 -5.211 1.00 0.41 H new ATOM 0 HD2 LYS B 30 -19.016 5.725 -4.791 1.00 0.50 H new ATOM 0 HD3 LYS B 30 -17.554 6.009 -5.713 1.00 0.50 H new ATOM 0 HE2 LYS B 30 -18.301 4.276 -7.369 1.00 0.52 H new ATOM 0 HE3 LYS B 30 -19.790 4.086 -6.465 1.00 0.52 H new ATOM 0 HZ1 LYS B 30 -20.022 5.573 -8.366 1.00 1.32 H new ATOM 0 HZ2 LYS B 30 -20.354 6.372 -6.905 1.00 1.32 H new ATOM 0 HZ3 LYS B 30 -18.875 6.631 -7.697 1.00 1.32 H new ATOM 2007 N GLY B 31 -19.598 1.411 -2.095 1.00 0.39 N ATOM 2008 CA GLY B 31 -20.168 1.607 -0.772 1.00 0.40 C ATOM 2009 C GLY B 31 -19.254 1.155 0.346 1.00 0.38 C ATOM 2010 O GLY B 31 -19.081 1.856 1.345 1.00 0.39 O ATOM 0 H GLY B 31 -20.154 0.823 -2.715 1.00 0.39 H new ATOM 0 HA2 GLY B 31 -20.401 2.663 -0.637 1.00 0.40 H new ATOM 0 HA3 GLY B 31 -21.110 1.062 -0.705 1.00 0.40 H new ATOM 2014 N GLU B 32 -18.660 -0.013 0.174 1.00 0.44 N ATOM 2015 CA GLU B 32 -17.783 -0.579 1.185 1.00 0.50 C ATOM 2016 C GLU B 32 -16.518 0.251 1.304 1.00 0.42 C ATOM 2017 O GLU B 32 -16.056 0.563 2.404 1.00 0.44 O ATOM 2018 CB GLU B 32 -17.417 -2.009 0.817 1.00 0.67 C ATOM 2019 CG GLU B 32 -18.614 -2.888 0.498 1.00 0.96 C ATOM 2020 CD GLU B 32 -19.624 -2.947 1.622 1.00 1.58 C ATOM 2021 OE1 GLU B 32 -19.330 -3.576 2.658 1.00 2.10 O ATOM 2022 OE2 GLU B 32 -20.724 -2.372 1.471 1.00 2.43 O ATOM 0 H GLU B 32 -18.770 -0.590 -0.660 1.00 0.44 H new ATOM 0 HA GLU B 32 -18.307 -0.575 2.141 1.00 0.50 H new ATOM 0 HB2 GLU B 32 -16.751 -1.993 -0.045 1.00 0.67 H new ATOM 0 HB3 GLU B 32 -16.861 -2.455 1.641 1.00 0.67 H new ATOM 0 HG2 GLU B 32 -19.102 -2.514 -0.402 1.00 0.96 H new ATOM 0 HG3 GLU B 32 -18.267 -3.897 0.276 1.00 0.96 H new ATOM 2029 N LEU B 33 -15.975 0.615 0.154 1.00 0.38 N ATOM 2030 CA LEU B 33 -14.765 1.405 0.086 1.00 0.34 C ATOM 2031 C LEU B 33 -15.006 2.781 0.687 1.00 0.30 C ATOM 2032 O LEU B 33 -14.197 3.277 1.462 1.00 0.32 O ATOM 2033 CB LEU B 33 -14.319 1.534 -1.370 1.00 0.34 C ATOM 2034 CG LEU B 33 -12.928 2.132 -1.577 1.00 0.39 C ATOM 2035 CD1 LEU B 33 -11.850 1.184 -1.068 1.00 0.52 C ATOM 2036 CD2 LEU B 33 -12.701 2.464 -3.043 1.00 0.46 C ATOM 0 H LEU B 33 -16.363 0.369 -0.757 1.00 0.38 H new ATOM 0 HA LEU B 33 -13.979 0.910 0.657 1.00 0.34 H new ATOM 0 HB2 LEU B 33 -14.343 0.546 -1.829 1.00 0.34 H new ATOM 0 HB3 LEU B 33 -15.044 2.150 -1.902 1.00 0.34 H new ATOM 0 HG LEU B 33 -12.866 3.056 -1.002 1.00 0.39 H new ATOM 0 HD11 LEU B 33 -10.868 1.631 -1.226 1.00 0.52 H new ATOM 0 HD12 LEU B 33 -11.999 1.002 -0.004 1.00 0.52 H new ATOM 0 HD13 LEU B 33 -11.910 0.240 -1.610 1.00 0.52 H new ATOM 0 HD21 LEU B 33 -11.705 2.889 -3.170 1.00 0.46 H new ATOM 0 HD22 LEU B 33 -12.787 1.556 -3.639 1.00 0.46 H new ATOM 0 HD23 LEU B 33 -13.448 3.186 -3.372 1.00 0.46 H new ATOM 2048 N LYS B 34 -16.149 3.371 0.355 1.00 0.29 N ATOM 2049 CA LYS B 34 -16.480 4.715 0.794 1.00 0.31 C ATOM 2050 C LYS B 34 -16.625 4.756 2.311 1.00 0.35 C ATOM 2051 O LYS B 34 -16.330 5.770 2.937 1.00 0.41 O ATOM 2052 CB LYS B 34 -17.750 5.224 0.080 1.00 0.34 C ATOM 2053 CG LYS B 34 -19.077 4.815 0.709 1.00 0.53 C ATOM 2054 CD LYS B 34 -19.584 5.861 1.693 1.00 0.85 C ATOM 2055 CE LYS B 34 -20.990 5.541 2.179 1.00 1.30 C ATOM 2056 NZ LYS B 34 -21.046 4.274 2.954 1.00 1.87 N ATOM 0 H LYS B 34 -16.866 2.932 -0.222 1.00 0.29 H new ATOM 0 HA LYS B 34 -15.665 5.386 0.522 1.00 0.31 H new ATOM 0 HB2 LYS B 34 -17.709 6.313 0.040 1.00 0.34 H new ATOM 0 HB3 LYS B 34 -17.733 4.866 -0.950 1.00 0.34 H new ATOM 0 HG2 LYS B 34 -19.819 4.664 -0.075 1.00 0.53 H new ATOM 0 HG3 LYS B 34 -18.957 3.861 1.223 1.00 0.53 H new ATOM 0 HD2 LYS B 34 -18.908 5.916 2.546 1.00 0.85 H new ATOM 0 HD3 LYS B 34 -19.578 6.842 1.217 1.00 0.85 H new ATOM 0 HE2 LYS B 34 -21.352 6.360 2.800 1.00 1.30 H new ATOM 0 HE3 LYS B 34 -21.660 5.470 1.322 1.00 1.30 H new ATOM 0 HZ1 LYS B 34 -22.029 4.082 3.234 1.00 1.87 H new ATOM 0 HZ2 LYS B 34 -20.694 3.492 2.366 1.00 1.87 H new ATOM 0 HZ3 LYS B 34 -20.454 4.361 3.805 1.00 1.87 H new ATOM 2070 N GLN B 35 -17.067 3.647 2.901 1.00 0.36 N ATOM 2071 CA GLN B 35 -17.087 3.529 4.350 1.00 0.43 C ATOM 2072 C GLN B 35 -15.676 3.635 4.887 1.00 0.43 C ATOM 2073 O GLN B 35 -15.348 4.602 5.566 1.00 0.50 O ATOM 2074 CB GLN B 35 -17.714 2.207 4.791 1.00 0.50 C ATOM 2075 CG GLN B 35 -19.226 2.252 4.862 1.00 1.07 C ATOM 2076 CD GLN B 35 -19.839 0.903 5.172 1.00 1.67 C ATOM 2077 OE1 GLN B 35 -20.142 0.123 4.270 1.00 2.45 O ATOM 2078 NE2 GLN B 35 -20.031 0.620 6.448 1.00 2.06 N ATOM 0 H GLN B 35 -17.412 2.828 2.401 1.00 0.36 H new ATOM 0 HA GLN B 35 -17.695 4.340 4.751 1.00 0.43 H new ATOM 0 HB2 GLN B 35 -17.414 1.422 4.097 1.00 0.50 H new ATOM 0 HB3 GLN B 35 -17.320 1.935 5.770 1.00 0.50 H new ATOM 0 HG2 GLN B 35 -19.528 2.968 5.627 1.00 1.07 H new ATOM 0 HG3 GLN B 35 -19.619 2.615 3.912 1.00 1.07 H new ATOM 0 HE21 GLN B 35 -19.766 1.295 7.166 1.00 2.06 H new ATOM 0 HE22 GLN B 35 -20.445 -0.273 6.716 1.00 2.06 H new ATOM 2087 N LEU B 36 -14.838 2.671 4.513 1.00 0.38 N ATOM 2088 CA LEU B 36 -13.451 2.622 4.956 1.00 0.39 C ATOM 2089 C LEU B 36 -12.774 3.975 4.762 1.00 0.38 C ATOM 2090 O LEU B 36 -12.138 4.502 5.657 1.00 0.45 O ATOM 2091 CB LEU B 36 -12.704 1.541 4.169 1.00 0.37 C ATOM 2092 CG LEU B 36 -11.230 1.347 4.532 1.00 0.40 C ATOM 2093 CD1 LEU B 36 -10.825 -0.088 4.282 1.00 0.45 C ATOM 2094 CD2 LEU B 36 -10.340 2.278 3.724 1.00 0.40 C ATOM 0 H LEU B 36 -15.103 1.904 3.895 1.00 0.38 H new ATOM 0 HA LEU B 36 -13.428 2.380 6.019 1.00 0.39 H new ATOM 0 HB2 LEU B 36 -13.221 0.592 4.312 1.00 0.37 H new ATOM 0 HB3 LEU B 36 -12.768 1.782 3.108 1.00 0.37 H new ATOM 0 HG LEU B 36 -11.106 1.585 5.588 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -9.775 -0.220 4.542 1.00 0.45 H new ATOM 0 HD12 LEU B 36 -11.437 -0.751 4.894 1.00 0.45 H new ATOM 0 HD13 LEU B 36 -10.971 -0.329 3.229 1.00 0.45 H new ATOM 0 HD21 LEU B 36 -9.298 2.118 4.003 1.00 0.40 H new ATOM 0 HD22 LEU B 36 -10.467 2.071 2.661 1.00 0.40 H new ATOM 0 HD23 LEU B 36 -10.616 3.313 3.928 1.00 0.40 H new ATOM 2106 N LEU B 37 -12.939 4.537 3.587 1.00 0.34 N ATOM 2107 CA LEU B 37 -12.265 5.770 3.222 1.00 0.35 C ATOM 2108 C LEU B 37 -12.684 6.959 4.082 1.00 0.41 C ATOM 2109 O LEU B 37 -11.834 7.631 4.665 1.00 0.45 O ATOM 2110 CB LEU B 37 -12.521 6.061 1.753 1.00 0.34 C ATOM 2111 CG LEU B 37 -11.949 5.015 0.802 1.00 0.30 C ATOM 2112 CD1 LEU B 37 -12.285 5.347 -0.640 1.00 0.38 C ATOM 2113 CD2 LEU B 37 -10.450 4.897 1.000 1.00 0.32 C ATOM 0 H LEU B 37 -13.541 4.157 2.857 1.00 0.34 H new ATOM 0 HA LEU B 37 -11.199 5.627 3.401 1.00 0.35 H new ATOM 0 HB2 LEU B 37 -13.596 6.135 1.590 1.00 0.34 H new ATOM 0 HB3 LEU B 37 -12.094 7.033 1.506 1.00 0.34 H new ATOM 0 HG LEU B 37 -12.405 4.052 1.030 1.00 0.30 H new ATOM 0 HD11 LEU B 37 -11.865 4.585 -1.296 1.00 0.38 H new ATOM 0 HD12 LEU B 37 -13.368 5.376 -0.764 1.00 0.38 H new ATOM 0 HD13 LEU B 37 -11.864 6.319 -0.897 1.00 0.38 H new ATOM 0 HD21 LEU B 37 -10.051 4.148 0.317 1.00 0.32 H new ATOM 0 HD22 LEU B 37 -9.980 5.859 0.799 1.00 0.32 H new ATOM 0 HD23 LEU B 37 -10.241 4.599 2.027 1.00 0.32 H new ATOM 2125 N THR B 38 -13.982 7.210 4.172 1.00 0.45 N ATOM 2126 CA THR B 38 -14.476 8.396 4.853 1.00 0.53 C ATOM 2127 C THR B 38 -14.182 8.358 6.348 1.00 0.59 C ATOM 2128 O THR B 38 -13.956 9.397 6.969 1.00 0.67 O ATOM 2129 CB THR B 38 -15.993 8.580 4.639 1.00 0.56 C ATOM 2130 OG1 THR B 38 -16.695 7.379 4.992 1.00 1.23 O ATOM 2131 CG2 THR B 38 -16.297 8.938 3.196 1.00 1.03 C ATOM 0 H THR B 38 -14.709 6.610 3.783 1.00 0.45 H new ATOM 0 HA THR B 38 -13.947 9.242 4.414 1.00 0.53 H new ATOM 0 HB THR B 38 -16.326 9.396 5.281 1.00 0.56 H new ATOM 0 HG1 THR B 38 -16.647 6.742 4.249 1.00 1.23 H new ATOM 0 HG21 THR B 38 -17.373 9.062 3.071 1.00 1.03 H new ATOM 0 HG22 THR B 38 -15.792 9.869 2.938 1.00 1.03 H new ATOM 0 HG23 THR B 38 -15.945 8.140 2.541 1.00 1.03 H new ATOM 2139 N LYS B 39 -14.189 7.166 6.925 1.00 0.58 N ATOM 2140 CA LYS B 39 -14.010 7.036 8.361 1.00 0.67 C ATOM 2141 C LYS B 39 -12.565 6.731 8.752 1.00 0.65 C ATOM 2142 O LYS B 39 -12.087 7.213 9.778 1.00 0.72 O ATOM 2143 CB LYS B 39 -14.954 5.976 8.929 1.00 0.72 C ATOM 2144 CG LYS B 39 -14.758 4.599 8.328 1.00 0.68 C ATOM 2145 CD LYS B 39 -15.956 3.692 8.572 1.00 0.74 C ATOM 2146 CE LYS B 39 -16.135 3.394 10.054 1.00 0.87 C ATOM 2147 NZ LYS B 39 -14.947 2.706 10.629 1.00 1.62 N ATOM 0 H LYS B 39 -14.315 6.285 6.427 1.00 0.58 H new ATOM 0 HA LYS B 39 -14.257 8.004 8.796 1.00 0.67 H new ATOM 0 HB2 LYS B 39 -14.810 5.915 10.008 1.00 0.72 H new ATOM 0 HB3 LYS B 39 -15.984 6.292 8.762 1.00 0.72 H new ATOM 0 HG2 LYS B 39 -14.587 4.693 7.256 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -13.865 4.142 8.754 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -16.858 4.165 8.183 1.00 0.74 H new ATOM 0 HD3 LYS B 39 -15.825 2.758 8.025 1.00 0.74 H new ATOM 0 HE2 LYS B 39 -16.312 4.325 10.593 1.00 0.87 H new ATOM 0 HE3 LYS B 39 -17.019 2.772 10.195 1.00 0.87 H new ATOM 0 HZ1 LYS B 39 -15.201 2.282 11.544 1.00 1.62 H new ATOM 0 HZ2 LYS B 39 -14.629 1.960 9.978 1.00 1.62 H new ATOM 0 HZ3 LYS B 39 -14.180 3.395 10.767 1.00 1.62 H new ATOM 2161 N GLU B 40 -11.858 5.957 7.936 1.00 0.57 N ATOM 2162 CA GLU B 40 -10.539 5.476 8.328 1.00 0.58 C ATOM 2163 C GLU B 40 -9.443 6.377 7.770 1.00 0.56 C ATOM 2164 O GLU B 40 -8.505 6.744 8.470 1.00 0.64 O ATOM 2165 CB GLU B 40 -10.320 4.030 7.853 1.00 0.58 C ATOM 2166 CG GLU B 40 -11.393 3.044 8.307 1.00 0.88 C ATOM 2167 CD GLU B 40 -11.582 2.987 9.812 1.00 1.14 C ATOM 2168 OE1 GLU B 40 -10.879 2.199 10.476 1.00 1.67 O ATOM 2169 OE2 GLU B 40 -12.469 3.698 10.335 1.00 1.63 O ATOM 0 H GLU B 40 -12.170 5.653 7.014 1.00 0.57 H new ATOM 0 HA GLU B 40 -10.489 5.498 9.417 1.00 0.58 H new ATOM 0 HB2 GLU B 40 -10.275 4.022 6.764 1.00 0.58 H new ATOM 0 HB3 GLU B 40 -9.351 3.685 8.215 1.00 0.58 H new ATOM 0 HG2 GLU B 40 -12.341 3.315 7.842 1.00 0.88 H new ATOM 0 HG3 GLU B 40 -11.134 2.049 7.946 1.00 0.88 H new ATOM 2176 N LEU B 41 -9.574 6.765 6.515 1.00 0.50 N ATOM 2177 CA LEU B 41 -8.526 7.536 5.860 1.00 0.49 C ATOM 2178 C LEU B 41 -8.959 8.988 5.737 1.00 0.53 C ATOM 2179 O LEU B 41 -8.510 9.718 4.846 1.00 0.53 O ATOM 2180 CB LEU B 41 -8.211 6.947 4.479 1.00 0.43 C ATOM 2181 CG LEU B 41 -8.080 5.418 4.430 1.00 0.51 C ATOM 2182 CD1 LEU B 41 -7.570 4.971 3.071 1.00 1.22 C ATOM 2183 CD2 LEU B 41 -7.170 4.906 5.538 1.00 1.42 C ATOM 0 H LEU B 41 -10.386 6.563 5.931 1.00 0.50 H new ATOM 0 HA LEU B 41 -7.619 7.488 6.463 1.00 0.49 H new ATOM 0 HB2 LEU B 41 -8.996 7.250 3.786 1.00 0.43 H new ATOM 0 HB3 LEU B 41 -7.281 7.386 4.119 1.00 0.43 H new ATOM 0 HG LEU B 41 -9.071 4.991 4.588 1.00 0.51 H new ATOM 0 HD11 LEU B 41 -7.483 3.885 3.054 1.00 1.22 H new ATOM 0 HD12 LEU B 41 -8.268 5.291 2.297 1.00 1.22 H new ATOM 0 HD13 LEU B 41 -6.593 5.416 2.885 1.00 1.22 H new ATOM 0 HD21 LEU B 41 -7.097 3.820 5.477 1.00 1.42 H new ATOM 0 HD22 LEU B 41 -6.178 5.343 5.425 1.00 1.42 H new ATOM 0 HD23 LEU B 41 -7.582 5.188 6.507 1.00 1.42 H new ATOM 2195 N ALA B 42 -9.830 9.388 6.663 1.00 0.58 N ATOM 2196 CA ALA B 42 -10.451 10.712 6.667 1.00 0.64 C ATOM 2197 C ALA B 42 -9.447 11.852 6.487 1.00 0.71 C ATOM 2198 O ALA B 42 -9.726 12.818 5.774 1.00 0.78 O ATOM 2199 CB ALA B 42 -11.240 10.910 7.951 1.00 0.71 C ATOM 0 H ALA B 42 -10.127 8.796 7.439 1.00 0.58 H new ATOM 0 HA ALA B 42 -11.119 10.747 5.806 1.00 0.64 H new ATOM 0 HB1 ALA B 42 -11.700 11.898 7.947 1.00 0.71 H new ATOM 0 HB2 ALA B 42 -12.017 10.149 8.022 1.00 0.71 H new ATOM 0 HB3 ALA B 42 -10.570 10.825 8.807 1.00 0.71 H new ATOM 2205 N ASN B 43 -8.282 11.744 7.108 1.00 0.74 N ATOM 2206 CA ASN B 43 -7.318 12.836 7.067 1.00 0.83 C ATOM 2207 C ASN B 43 -6.052 12.436 6.309 1.00 0.83 C ATOM 2208 O ASN B 43 -5.012 13.080 6.433 1.00 1.07 O ATOM 2209 CB ASN B 43 -6.968 13.293 8.489 1.00 1.00 C ATOM 2210 CG ASN B 43 -6.271 14.648 8.523 1.00 1.28 C ATOM 2211 OD1 ASN B 43 -6.658 15.545 7.625 1.00 1.56 O flip ATOM 2212 ND2 ASN B 43 -5.413 14.900 9.370 1.00 2.16 N flip ATOM 0 H ASN B 43 -7.983 10.926 7.639 1.00 0.74 H new ATOM 0 HA ASN B 43 -7.778 13.667 6.532 1.00 0.83 H new ATOM 0 HB2 ASN B 43 -7.880 13.345 9.083 1.00 1.00 H new ATOM 0 HB3 ASN B 43 -6.325 12.548 8.957 1.00 1.00 H new ATOM 0 HD21 ASN B 43 -5.139 14.187 10.046 1.00 2.16 H new ATOM 0 HD22 ASN B 43 -4.977 15.822 9.396 1.00 2.16 H new ATOM 2219 N THR B 44 -6.140 11.389 5.504 1.00 0.65 N ATOM 2220 CA THR B 44 -4.985 10.945 4.743 1.00 0.61 C ATOM 2221 C THR B 44 -5.116 11.378 3.293 1.00 0.59 C ATOM 2222 O THR B 44 -4.242 12.043 2.740 1.00 0.66 O ATOM 2223 CB THR B 44 -4.829 9.418 4.784 1.00 0.55 C ATOM 2224 OG1 THR B 44 -5.219 8.911 6.066 1.00 0.65 O ATOM 2225 CG2 THR B 44 -3.387 9.030 4.494 1.00 0.52 C ATOM 0 H THR B 44 -6.987 10.838 5.362 1.00 0.65 H new ATOM 0 HA THR B 44 -4.106 11.400 5.199 1.00 0.61 H new ATOM 0 HB THR B 44 -5.475 8.984 4.021 1.00 0.55 H new ATOM 0 HG1 THR B 44 -5.002 9.570 6.758 1.00 0.65 H new ATOM 0 HG21 THR B 44 -3.289 7.945 4.526 1.00 0.52 H new ATOM 0 HG22 THR B 44 -3.105 9.391 3.505 1.00 0.52 H new ATOM 0 HG23 THR B 44 -2.733 9.476 5.243 1.00 0.52 H new ATOM 2233 N ILE B 45 -6.232 11.006 2.697 1.00 0.52 N ATOM 2234 CA ILE B 45 -6.495 11.294 1.301 1.00 0.51 C ATOM 2235 C ILE B 45 -7.248 12.617 1.179 1.00 0.59 C ATOM 2236 O ILE B 45 -8.070 12.940 2.042 1.00 0.60 O ATOM 2237 CB ILE B 45 -7.319 10.150 0.682 1.00 0.43 C ATOM 2238 CG1 ILE B 45 -6.600 8.806 0.879 1.00 0.39 C ATOM 2239 CG2 ILE B 45 -7.575 10.411 -0.796 1.00 0.47 C ATOM 2240 CD1 ILE B 45 -7.356 7.624 0.308 1.00 0.35 C ATOM 0 H ILE B 45 -6.981 10.496 3.166 1.00 0.52 H new ATOM 0 HA ILE B 45 -5.550 11.378 0.764 1.00 0.51 H new ATOM 0 HB ILE B 45 -8.282 10.104 1.190 1.00 0.43 H new ATOM 0 HG12 ILE B 45 -5.617 8.858 0.412 1.00 0.39 H new ATOM 0 HG13 ILE B 45 -6.438 8.643 1.945 1.00 0.39 H new ATOM 0 HG21 ILE B 45 -8.159 9.591 -1.215 1.00 0.47 H new ATOM 0 HG22 ILE B 45 -8.126 11.344 -0.911 1.00 0.47 H new ATOM 0 HG23 ILE B 45 -6.623 10.485 -1.323 1.00 0.47 H new ATOM 0 HD11 ILE B 45 -6.789 6.710 0.484 1.00 0.35 H new ATOM 0 HD12 ILE B 45 -8.329 7.546 0.793 1.00 0.35 H new ATOM 0 HD13 ILE B 45 -7.495 7.764 -0.764 1.00 0.35 H new ATOM 2252 N LYS B 46 -6.958 13.394 0.128 1.00 0.67 N ATOM 2253 CA LYS B 46 -7.566 14.712 -0.027 1.00 0.74 C ATOM 2254 C LYS B 46 -9.077 14.584 -0.129 1.00 0.68 C ATOM 2255 O LYS B 46 -9.587 13.840 -0.966 1.00 0.63 O ATOM 2256 CB LYS B 46 -6.993 15.459 -1.253 1.00 0.82 C ATOM 2257 CG LYS B 46 -7.723 15.228 -2.573 1.00 0.79 C ATOM 2258 CD LYS B 46 -8.838 16.246 -2.789 1.00 0.75 C ATOM 2259 CE LYS B 46 -9.490 16.067 -4.147 1.00 0.88 C ATOM 2260 NZ LYS B 46 -10.530 17.094 -4.405 1.00 1.61 N ATOM 0 H LYS B 46 -6.313 13.133 -0.618 1.00 0.67 H new ATOM 0 HA LYS B 46 -7.323 15.302 0.857 1.00 0.74 H new ATOM 0 HB2 LYS B 46 -6.999 16.528 -1.039 1.00 0.82 H new ATOM 0 HB3 LYS B 46 -5.951 15.165 -1.380 1.00 0.82 H new ATOM 0 HG2 LYS B 46 -7.012 15.287 -3.397 1.00 0.79 H new ATOM 0 HG3 LYS B 46 -8.142 14.222 -2.585 1.00 0.79 H new ATOM 0 HD2 LYS B 46 -9.588 16.139 -2.006 1.00 0.75 H new ATOM 0 HD3 LYS B 46 -8.434 17.255 -2.707 1.00 0.75 H new ATOM 0 HE2 LYS B 46 -8.728 16.120 -4.925 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -9.938 15.075 -4.206 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -10.950 16.935 -5.343 1.00 1.61 H new ATOM 0 HZ2 LYS B 46 -11.271 17.028 -3.678 1.00 1.61 H new ATOM 0 HZ3 LYS B 46 -10.099 18.040 -4.375 1.00 1.61 H new ATOM 2274 N ASN B 47 -9.773 15.283 0.764 1.00 0.71 N ATOM 2275 CA ASN B 47 -11.235 15.322 0.775 1.00 0.67 C ATOM 2276 C ASN B 47 -11.840 13.951 0.541 1.00 0.59 C ATOM 2277 O ASN B 47 -12.780 13.800 -0.235 1.00 0.57 O ATOM 2278 CB ASN B 47 -11.763 16.289 -0.277 1.00 0.69 C ATOM 2279 CG ASN B 47 -11.564 17.744 0.100 1.00 0.92 C ATOM 2280 OD1 ASN B 47 -10.597 18.107 0.774 1.00 1.48 O ATOM 2281 ND2 ASN B 47 -12.490 18.588 -0.325 1.00 1.24 N ATOM 0 H ASN B 47 -9.340 15.839 1.501 1.00 0.71 H new ATOM 0 HA ASN B 47 -11.531 15.666 1.766 1.00 0.67 H new ATOM 0 HB2 ASN B 47 -11.262 16.094 -1.225 1.00 0.69 H new ATOM 0 HB3 ASN B 47 -12.825 16.102 -0.433 1.00 0.69 H new ATOM 0 HD21 ASN B 47 -12.419 19.580 -0.097 1.00 1.24 H new ATOM 0 HD22 ASN B 47 -13.275 18.247 -0.880 1.00 1.24 H new ATOM 2288 N ILE B 48 -11.295 12.957 1.226 1.00 0.56 N ATOM 2289 CA ILE B 48 -11.752 11.575 1.109 1.00 0.48 C ATOM 2290 C ILE B 48 -13.223 11.439 1.520 1.00 0.48 C ATOM 2291 O ILE B 48 -13.833 10.379 1.403 1.00 0.44 O ATOM 2292 CB ILE B 48 -10.877 10.657 1.984 1.00 0.46 C ATOM 2293 CG1 ILE B 48 -11.123 9.187 1.658 1.00 0.40 C ATOM 2294 CG2 ILE B 48 -11.145 10.920 3.454 1.00 0.52 C ATOM 2295 CD1 ILE B 48 -10.938 8.859 0.195 1.00 0.38 C ATOM 0 H ILE B 48 -10.523 13.083 1.880 1.00 0.56 H new ATOM 0 HA ILE B 48 -11.663 11.276 0.065 1.00 0.48 H new ATOM 0 HB ILE B 48 -9.832 10.881 1.768 1.00 0.46 H new ATOM 0 HG12 ILE B 48 -10.444 8.573 2.249 1.00 0.40 H new ATOM 0 HG13 ILE B 48 -12.137 8.921 1.957 1.00 0.40 H new ATOM 0 HG21 ILE B 48 -10.520 10.265 4.061 1.00 0.52 H new ATOM 0 HG22 ILE B 48 -10.913 11.959 3.686 1.00 0.52 H new ATOM 0 HG23 ILE B 48 -12.195 10.725 3.673 1.00 0.52 H new ATOM 0 HD11 ILE B 48 -11.128 7.798 0.033 1.00 0.38 H new ATOM 0 HD12 ILE B 48 -11.635 9.448 -0.401 1.00 0.38 H new ATOM 0 HD13 ILE B 48 -9.917 9.094 -0.104 1.00 0.38 H new ATOM 2307 N LYS B 49 -13.777 12.536 1.995 1.00 0.56 N ATOM 2308 CA LYS B 49 -15.151 12.587 2.442 1.00 0.57 C ATOM 2309 C LYS B 49 -16.076 12.797 1.255 1.00 0.55 C ATOM 2310 O LYS B 49 -17.282 12.562 1.336 1.00 0.56 O ATOM 2311 CB LYS B 49 -15.304 13.728 3.438 1.00 0.66 C ATOM 2312 CG LYS B 49 -14.173 13.767 4.450 1.00 0.73 C ATOM 2313 CD LYS B 49 -14.088 12.475 5.255 1.00 0.72 C ATOM 2314 CE LYS B 49 -14.847 12.558 6.574 1.00 0.83 C ATOM 2315 NZ LYS B 49 -16.278 12.922 6.397 1.00 1.11 N ATOM 0 H LYS B 49 -13.281 13.423 2.082 1.00 0.56 H new ATOM 0 HA LYS B 49 -15.417 11.646 2.923 1.00 0.57 H new ATOM 0 HB2 LYS B 49 -15.339 14.675 2.899 1.00 0.66 H new ATOM 0 HB3 LYS B 49 -16.254 13.624 3.962 1.00 0.66 H new ATOM 0 HG2 LYS B 49 -13.228 13.936 3.933 1.00 0.73 H new ATOM 0 HG3 LYS B 49 -14.320 14.608 5.127 1.00 0.73 H new ATOM 0 HD2 LYS B 49 -14.488 11.653 4.661 1.00 0.72 H new ATOM 0 HD3 LYS B 49 -13.042 12.244 5.455 1.00 0.72 H new ATOM 0 HE2 LYS B 49 -14.782 11.598 7.085 1.00 0.83 H new ATOM 0 HE3 LYS B 49 -14.367 13.295 7.218 1.00 0.83 H new ATOM 0 HZ1 LYS B 49 -16.795 12.735 7.280 1.00 1.11 H new ATOM 0 HZ2 LYS B 49 -16.353 13.932 6.159 1.00 1.11 H new ATOM 0 HZ3 LYS B 49 -16.688 12.354 5.628 1.00 1.11 H new ATOM 2329 N ASP B 50 -15.490 13.232 0.151 1.00 0.55 N ATOM 2330 CA ASP B 50 -16.245 13.521 -1.055 1.00 0.56 C ATOM 2331 C ASP B 50 -16.463 12.275 -1.880 1.00 0.50 C ATOM 2332 O ASP B 50 -15.525 11.554 -2.204 1.00 0.47 O ATOM 2333 CB ASP B 50 -15.538 14.579 -1.900 1.00 0.62 C ATOM 2334 CG ASP B 50 -15.881 15.989 -1.473 1.00 0.97 C ATOM 2335 OD1 ASP B 50 -17.081 16.337 -1.485 1.00 1.59 O ATOM 2336 OD2 ASP B 50 -14.956 16.764 -1.142 1.00 1.56 O ATOM 0 H ASP B 50 -14.486 13.393 0.067 1.00 0.55 H new ATOM 0 HA ASP B 50 -17.216 13.905 -0.744 1.00 0.56 H new ATOM 0 HB2 ASP B 50 -14.460 14.434 -1.830 1.00 0.62 H new ATOM 0 HB3 ASP B 50 -15.810 14.444 -2.947 1.00 0.62 H new ATOM 2341 N LYS B 51 -17.718 12.046 -2.230 1.00 0.50 N ATOM 2342 CA LYS B 51 -18.103 10.927 -3.072 1.00 0.48 C ATOM 2343 C LYS B 51 -17.475 11.068 -4.450 1.00 0.49 C ATOM 2344 O LYS B 51 -17.260 10.082 -5.144 1.00 0.48 O ATOM 2345 CB LYS B 51 -19.620 10.886 -3.195 1.00 0.53 C ATOM 2346 CG LYS B 51 -20.170 9.671 -3.933 1.00 0.83 C ATOM 2347 CD LYS B 51 -19.813 8.369 -3.231 1.00 0.60 C ATOM 2348 CE LYS B 51 -20.554 7.182 -3.836 1.00 0.83 C ATOM 2349 NZ LYS B 51 -22.030 7.313 -3.702 1.00 0.92 N ATOM 0 H LYS B 51 -18.500 12.632 -1.937 1.00 0.50 H new ATOM 0 HA LYS B 51 -17.750 10.000 -2.621 1.00 0.48 H new ATOM 0 HB2 LYS B 51 -20.052 10.912 -2.195 1.00 0.53 H new ATOM 0 HB3 LYS B 51 -19.953 11.787 -3.710 1.00 0.53 H new ATOM 0 HG2 LYS B 51 -21.254 9.755 -4.012 1.00 0.83 H new ATOM 0 HG3 LYS B 51 -19.776 9.655 -4.949 1.00 0.83 H new ATOM 0 HD2 LYS B 51 -18.738 8.201 -3.300 1.00 0.60 H new ATOM 0 HD3 LYS B 51 -20.056 8.448 -2.171 1.00 0.60 H new ATOM 0 HE2 LYS B 51 -20.293 7.092 -4.891 1.00 0.83 H new ATOM 0 HE3 LYS B 51 -20.227 6.264 -3.348 1.00 0.83 H new ATOM 0 HZ1 LYS B 51 -22.422 6.436 -3.303 1.00 0.92 H new ATOM 0 HZ2 LYS B 51 -22.252 8.110 -3.072 1.00 0.92 H new ATOM 0 HZ3 LYS B 51 -22.450 7.485 -4.638 1.00 0.92 H new ATOM 2363 N ALA B 52 -17.183 12.306 -4.833 1.00 0.55 N ATOM 2364 CA ALA B 52 -16.496 12.576 -6.086 1.00 0.60 C ATOM 2365 C ALA B 52 -15.059 12.117 -5.977 1.00 0.57 C ATOM 2366 O ALA B 52 -14.490 11.565 -6.913 1.00 0.60 O ATOM 2367 CB ALA B 52 -16.544 14.058 -6.413 1.00 0.67 C ATOM 0 H ALA B 52 -17.413 13.139 -4.291 1.00 0.55 H new ATOM 0 HA ALA B 52 -16.994 12.032 -6.888 1.00 0.60 H new ATOM 0 HB1 ALA B 52 -16.025 14.240 -7.354 1.00 0.67 H new ATOM 0 HB2 ALA B 52 -17.582 14.377 -6.504 1.00 0.67 H new ATOM 0 HB3 ALA B 52 -16.059 14.622 -5.616 1.00 0.67 H new ATOM 2373 N VAL B 53 -14.498 12.321 -4.797 1.00 0.54 N ATOM 2374 CA VAL B 53 -13.127 11.925 -4.519 1.00 0.53 C ATOM 2375 C VAL B 53 -13.054 10.411 -4.429 1.00 0.47 C ATOM 2376 O VAL B 53 -12.158 9.775 -4.982 1.00 0.48 O ATOM 2377 CB VAL B 53 -12.615 12.559 -3.205 1.00 0.53 C ATOM 2378 CG1 VAL B 53 -11.351 11.872 -2.708 1.00 0.51 C ATOM 2379 CG2 VAL B 53 -12.353 14.040 -3.399 1.00 0.60 C ATOM 0 H VAL B 53 -14.975 12.762 -4.011 1.00 0.54 H new ATOM 0 HA VAL B 53 -12.491 12.280 -5.329 1.00 0.53 H new ATOM 0 HB VAL B 53 -13.392 12.426 -2.452 1.00 0.53 H new ATOM 0 HG11 VAL B 53 -11.020 12.344 -1.783 1.00 0.51 H new ATOM 0 HG12 VAL B 53 -11.558 10.818 -2.524 1.00 0.51 H new ATOM 0 HG13 VAL B 53 -10.568 11.961 -3.461 1.00 0.51 H new ATOM 0 HG21 VAL B 53 -11.993 14.471 -2.465 1.00 0.60 H new ATOM 0 HG22 VAL B 53 -11.601 14.178 -4.176 1.00 0.60 H new ATOM 0 HG23 VAL B 53 -13.276 14.537 -3.696 1.00 0.60 H new ATOM 2389 N ILE B 54 -14.036 9.853 -3.750 1.00 0.42 N ATOM 2390 CA ILE B 54 -14.158 8.417 -3.597 1.00 0.36 C ATOM 2391 C ILE B 54 -14.407 7.740 -4.931 1.00 0.38 C ATOM 2392 O ILE B 54 -13.927 6.640 -5.177 1.00 0.38 O ATOM 2393 CB ILE B 54 -15.301 8.100 -2.642 1.00 0.35 C ATOM 2394 CG1 ILE B 54 -14.937 8.652 -1.272 1.00 0.37 C ATOM 2395 CG2 ILE B 54 -15.585 6.600 -2.592 1.00 0.32 C ATOM 2396 CD1 ILE B 54 -15.956 8.367 -0.205 1.00 0.38 C ATOM 0 H ILE B 54 -14.774 10.384 -3.287 1.00 0.42 H new ATOM 0 HA ILE B 54 -13.220 8.037 -3.193 1.00 0.36 H new ATOM 0 HB ILE B 54 -16.220 8.570 -2.992 1.00 0.35 H new ATOM 0 HG12 ILE B 54 -13.979 8.232 -0.966 1.00 0.37 H new ATOM 0 HG13 ILE B 54 -14.801 9.731 -1.351 1.00 0.37 H new ATOM 0 HG21 ILE B 54 -16.406 6.408 -1.901 1.00 0.32 H new ATOM 0 HG22 ILE B 54 -15.858 6.248 -3.587 1.00 0.32 H new ATOM 0 HG23 ILE B 54 -14.694 6.072 -2.252 1.00 0.32 H new ATOM 0 HD11 ILE B 54 -15.622 8.794 0.741 1.00 0.38 H new ATOM 0 HD12 ILE B 54 -16.911 8.811 -0.486 1.00 0.38 H new ATOM 0 HD13 ILE B 54 -16.076 7.289 -0.095 1.00 0.38 H new ATOM 2408 N ASP B 55 -15.160 8.410 -5.784 1.00 0.43 N ATOM 2409 CA ASP B 55 -15.460 7.898 -7.109 1.00 0.47 C ATOM 2410 C ASP B 55 -14.176 7.799 -7.891 1.00 0.48 C ATOM 2411 O ASP B 55 -13.845 6.758 -8.435 1.00 0.49 O ATOM 2412 CB ASP B 55 -16.413 8.833 -7.832 1.00 0.54 C ATOM 2413 CG ASP B 55 -17.047 8.193 -9.046 1.00 0.85 C ATOM 2414 OD1 ASP B 55 -17.963 7.367 -8.874 1.00 1.43 O ATOM 2415 OD2 ASP B 55 -16.642 8.520 -10.179 1.00 1.53 O ATOM 0 H ASP B 55 -15.578 9.318 -5.580 1.00 0.43 H new ATOM 0 HA ASP B 55 -15.928 6.918 -7.019 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -17.196 9.151 -7.143 1.00 0.54 H new ATOM 0 HB3 ASP B 55 -15.874 9.729 -8.138 1.00 0.54 H new ATOM 2420 N GLU B 56 -13.453 8.903 -7.903 1.00 0.51 N ATOM 2421 CA GLU B 56 -12.148 8.987 -8.533 1.00 0.53 C ATOM 2422 C GLU B 56 -11.246 7.832 -8.102 1.00 0.47 C ATOM 2423 O GLU B 56 -10.571 7.209 -8.925 1.00 0.49 O ATOM 2424 CB GLU B 56 -11.518 10.321 -8.151 1.00 0.58 C ATOM 2425 CG GLU B 56 -12.154 11.512 -8.849 1.00 0.69 C ATOM 2426 CD GLU B 56 -12.029 11.440 -10.357 1.00 1.06 C ATOM 2427 OE1 GLU B 56 -10.999 11.897 -10.892 1.00 1.66 O ATOM 2428 OE2 GLU B 56 -12.962 10.934 -11.020 1.00 1.77 O ATOM 0 H GLU B 56 -13.758 9.776 -7.472 1.00 0.51 H new ATOM 0 HA GLU B 56 -12.265 8.918 -9.614 1.00 0.53 H new ATOM 0 HB2 GLU B 56 -11.598 10.456 -7.072 1.00 0.58 H new ATOM 0 HB3 GLU B 56 -10.455 10.294 -8.391 1.00 0.58 H new ATOM 0 HG2 GLU B 56 -13.208 11.566 -8.578 1.00 0.69 H new ATOM 0 HG3 GLU B 56 -11.686 12.430 -8.493 1.00 0.69 H new ATOM 2435 N ILE B 57 -11.257 7.539 -6.810 1.00 0.42 N ATOM 2436 CA ILE B 57 -10.449 6.472 -6.255 1.00 0.39 C ATOM 2437 C ILE B 57 -10.974 5.104 -6.667 1.00 0.36 C ATOM 2438 O ILE B 57 -10.258 4.320 -7.278 1.00 0.37 O ATOM 2439 CB ILE B 57 -10.441 6.582 -4.731 1.00 0.40 C ATOM 2440 CG1 ILE B 57 -9.728 7.866 -4.313 1.00 0.48 C ATOM 2441 CG2 ILE B 57 -9.791 5.368 -4.103 1.00 0.59 C ATOM 2442 CD1 ILE B 57 -9.716 8.095 -2.824 1.00 1.00 C ATOM 0 H ILE B 57 -11.825 8.034 -6.122 1.00 0.42 H new ATOM 0 HA ILE B 57 -9.436 6.574 -6.643 1.00 0.39 H new ATOM 0 HB ILE B 57 -11.470 6.620 -4.374 1.00 0.40 H new ATOM 0 HG12 ILE B 57 -8.700 7.835 -4.675 1.00 0.48 H new ATOM 0 HG13 ILE B 57 -10.211 8.714 -4.798 1.00 0.48 H new ATOM 0 HG21 ILE B 57 -9.798 5.472 -3.018 1.00 0.59 H new ATOM 0 HG22 ILE B 57 -10.344 4.472 -4.386 1.00 0.59 H new ATOM 0 HG23 ILE B 57 -8.762 5.285 -4.453 1.00 0.59 H new ATOM 0 HD11 ILE B 57 -9.193 9.025 -2.603 1.00 1.00 H new ATOM 0 HD12 ILE B 57 -10.741 8.159 -2.457 1.00 1.00 H new ATOM 0 HD13 ILE B 57 -9.206 7.266 -2.333 1.00 1.00 H new ATOM 2454 N PHE B 58 -12.229 4.841 -6.335 1.00 0.35 N ATOM 2455 CA PHE B 58 -12.874 3.567 -6.634 1.00 0.36 C ATOM 2456 C PHE B 58 -12.739 3.224 -8.109 1.00 0.41 C ATOM 2457 O PHE B 58 -12.358 2.111 -8.469 1.00 0.44 O ATOM 2458 CB PHE B 58 -14.351 3.640 -6.245 1.00 0.38 C ATOM 2459 CG PHE B 58 -15.156 2.446 -6.661 1.00 0.52 C ATOM 2460 CD1 PHE B 58 -15.051 1.251 -5.974 1.00 1.11 C ATOM 2461 CD2 PHE B 58 -16.030 2.523 -7.733 1.00 1.52 C ATOM 2462 CE1 PHE B 58 -15.800 0.155 -6.347 1.00 1.16 C ATOM 2463 CE2 PHE B 58 -16.779 1.430 -8.111 1.00 1.67 C ATOM 2464 CZ PHE B 58 -16.664 0.245 -7.415 1.00 0.93 C ATOM 0 H PHE B 58 -12.832 5.505 -5.849 1.00 0.35 H new ATOM 0 HA PHE B 58 -12.383 2.783 -6.058 1.00 0.36 H new ATOM 0 HB2 PHE B 58 -14.425 3.755 -5.164 1.00 0.38 H new ATOM 0 HB3 PHE B 58 -14.789 4.533 -6.691 1.00 0.38 H new ATOM 0 HD1 PHE B 58 -14.375 1.175 -5.136 1.00 1.11 H new ATOM 0 HD2 PHE B 58 -16.125 3.450 -8.279 1.00 1.52 H new ATOM 0 HE1 PHE B 58 -15.709 -0.773 -5.802 1.00 1.16 H new ATOM 0 HE2 PHE B 58 -17.455 1.501 -8.951 1.00 1.67 H new ATOM 0 HZ PHE B 58 -17.252 -0.612 -7.708 1.00 0.93 H new ATOM 2474 N GLN B 59 -13.027 4.202 -8.948 1.00 0.45 N ATOM 2475 CA GLN B 59 -12.944 4.035 -10.384 1.00 0.52 C ATOM 2476 C GLN B 59 -11.495 3.835 -10.815 1.00 0.52 C ATOM 2477 O GLN B 59 -11.221 3.213 -11.842 1.00 0.57 O ATOM 2478 CB GLN B 59 -13.536 5.257 -11.090 1.00 0.58 C ATOM 2479 CG GLN B 59 -15.026 5.471 -10.832 1.00 0.61 C ATOM 2480 CD GLN B 59 -15.869 4.254 -11.175 1.00 1.10 C ATOM 2481 OE1 GLN B 59 -15.457 3.505 -12.187 1.00 1.91 O flip ATOM 2482 NE2 GLN B 59 -16.897 4.001 -10.546 1.00 1.63 N flip ATOM 0 H GLN B 59 -13.324 5.132 -8.652 1.00 0.45 H new ATOM 0 HA GLN B 59 -13.516 3.150 -10.664 1.00 0.52 H new ATOM 0 HB2 GLN B 59 -12.992 6.146 -10.770 1.00 0.58 H new ATOM 0 HB3 GLN B 59 -13.376 5.155 -12.163 1.00 0.58 H new ATOM 0 HG2 GLN B 59 -15.175 5.725 -9.782 1.00 0.61 H new ATOM 0 HG3 GLN B 59 -15.372 6.323 -11.418 1.00 0.61 H new ATOM 0 HE21 GLN B 59 -17.182 4.601 -9.772 1.00 1.63 H new ATOM 0 HE22 GLN B 59 -17.463 3.191 -10.799 1.00 1.63 H new ATOM 2491 N GLY B 60 -10.573 4.370 -10.022 1.00 0.48 N ATOM 2492 CA GLY B 60 -9.162 4.206 -10.299 1.00 0.49 C ATOM 2493 C GLY B 60 -8.656 2.817 -9.953 1.00 0.47 C ATOM 2494 O GLY B 60 -7.760 2.297 -10.621 1.00 0.53 O ATOM 0 H GLY B 60 -10.782 4.918 -9.187 1.00 0.48 H new ATOM 0 HA2 GLY B 60 -8.978 4.403 -11.355 1.00 0.49 H new ATOM 0 HA3 GLY B 60 -8.596 4.946 -9.733 1.00 0.49 H new ATOM 2498 N LEU B 61 -9.230 2.206 -8.920 1.00 0.42 N ATOM 2499 CA LEU B 61 -8.806 0.876 -8.502 1.00 0.44 C ATOM 2500 C LEU B 61 -9.482 -0.158 -9.371 1.00 0.51 C ATOM 2501 O LEU B 61 -8.867 -1.140 -9.783 1.00 0.59 O ATOM 2502 CB LEU B 61 -9.160 0.588 -7.038 1.00 0.39 C ATOM 2503 CG LEU B 61 -9.307 1.802 -6.129 1.00 0.34 C ATOM 2504 CD1 LEU B 61 -9.824 1.367 -4.771 1.00 0.31 C ATOM 2505 CD2 LEU B 61 -7.981 2.539 -5.986 1.00 0.35 C ATOM 0 H LEU B 61 -9.984 2.608 -8.362 1.00 0.42 H new ATOM 0 HA LEU B 61 -7.722 0.831 -8.605 1.00 0.44 H new ATOM 0 HB2 LEU B 61 -10.095 0.028 -7.016 1.00 0.39 H new ATOM 0 HB3 LEU B 61 -8.390 -0.061 -6.621 1.00 0.39 H new ATOM 0 HG LEU B 61 -10.024 2.489 -6.579 1.00 0.34 H new ATOM 0 HD11 LEU B 61 -9.927 2.239 -4.125 1.00 0.31 H new ATOM 0 HD12 LEU B 61 -10.795 0.885 -4.888 1.00 0.31 H new ATOM 0 HD13 LEU B 61 -9.122 0.664 -4.323 1.00 0.31 H new ATOM 0 HD21 LEU B 61 -8.113 3.401 -5.332 1.00 0.35 H new ATOM 0 HD22 LEU B 61 -7.237 1.869 -5.557 1.00 0.35 H new ATOM 0 HD23 LEU B 61 -7.644 2.875 -6.967 1.00 0.35 H new ATOM 2517 N ASP B 62 -10.754 0.088 -9.652 1.00 0.51 N ATOM 2518 CA ASP B 62 -11.561 -0.830 -10.434 1.00 0.59 C ATOM 2519 C ASP B 62 -11.209 -0.732 -11.911 1.00 0.70 C ATOM 2520 O ASP B 62 -11.955 -0.177 -12.720 1.00 0.75 O ATOM 2521 CB ASP B 62 -13.049 -0.550 -10.227 1.00 0.57 C ATOM 2522 CG ASP B 62 -13.929 -1.546 -10.961 1.00 0.64 C ATOM 2523 OD1 ASP B 62 -13.558 -2.740 -11.040 1.00 1.40 O ATOM 2524 OD2 ASP B 62 -14.996 -1.139 -11.462 1.00 1.11 O ATOM 0 H ASP B 62 -11.250 0.925 -9.345 1.00 0.51 H new ATOM 0 HA ASP B 62 -11.347 -1.843 -10.093 1.00 0.59 H new ATOM 0 HB2 ASP B 62 -13.278 -0.582 -9.162 1.00 0.57 H new ATOM 0 HB3 ASP B 62 -13.278 0.458 -10.572 1.00 0.57 H new ATOM 2529 N ALA B 63 -10.050 -1.264 -12.246 1.00 0.78 N ATOM 2530 CA ALA B 63 -9.610 -1.346 -13.629 1.00 0.94 C ATOM 2531 C ALA B 63 -10.437 -2.380 -14.375 1.00 1.12 C ATOM 2532 O ALA B 63 -10.471 -2.409 -15.603 1.00 1.31 O ATOM 2533 CB ALA B 63 -8.133 -1.699 -13.689 1.00 1.00 C ATOM 0 H ALA B 63 -9.388 -1.650 -11.573 1.00 0.78 H new ATOM 0 HA ALA B 63 -9.752 -0.376 -14.106 1.00 0.94 H new ATOM 0 HB1 ALA B 63 -7.815 -1.758 -14.730 1.00 1.00 H new ATOM 0 HB2 ALA B 63 -7.554 -0.931 -13.175 1.00 1.00 H new ATOM 0 HB3 ALA B 63 -7.969 -2.662 -13.205 1.00 1.00 H new ATOM 2539 N ASN B 64 -11.119 -3.217 -13.606 1.00 1.10 N ATOM 2540 CA ASN B 64 -11.937 -4.286 -14.157 1.00 1.28 C ATOM 2541 C ASN B 64 -13.240 -3.722 -14.698 1.00 1.22 C ATOM 2542 O ASN B 64 -13.905 -4.338 -15.533 1.00 1.37 O ATOM 2543 CB ASN B 64 -12.244 -5.327 -13.075 1.00 1.34 C ATOM 2544 CG ASN B 64 -11.175 -5.376 -12.000 1.00 2.04 C ATOM 2545 OD1 ASN B 64 -10.194 -6.115 -12.113 1.00 2.56 O ATOM 2546 ND2 ASN B 64 -11.356 -4.588 -10.948 1.00 2.80 N ATOM 0 H ASN B 64 -11.121 -3.174 -12.587 1.00 1.10 H new ATOM 0 HA ASN B 64 -11.385 -4.761 -14.968 1.00 1.28 H new ATOM 0 HB2 ASN B 64 -13.206 -5.098 -12.617 1.00 1.34 H new ATOM 0 HB3 ASN B 64 -12.337 -6.310 -13.536 1.00 1.34 H new ATOM 0 HD21 ASN B 64 -10.669 -4.579 -10.194 1.00 2.80 H new ATOM 0 HD22 ASN B 64 -12.182 -3.992 -10.894 1.00 2.80 H new ATOM 2553 N GLN B 65 -13.583 -2.527 -14.210 1.00 1.04 N ATOM 2554 CA GLN B 65 -14.795 -1.820 -14.611 1.00 1.06 C ATOM 2555 C GLN B 65 -16.034 -2.634 -14.267 1.00 1.04 C ATOM 2556 O GLN B 65 -17.031 -2.609 -14.990 1.00 1.17 O ATOM 2557 CB GLN B 65 -14.764 -1.493 -16.107 1.00 1.32 C ATOM 2558 CG GLN B 65 -13.654 -0.531 -16.494 1.00 1.38 C ATOM 2559 CD GLN B 65 -13.608 -0.263 -17.984 1.00 2.03 C ATOM 2560 OE1 GLN B 65 -13.960 -1.118 -18.796 1.00 2.72 O ATOM 2561 NE2 GLN B 65 -13.170 0.929 -18.355 1.00 2.58 N ATOM 0 H GLN B 65 -13.023 -2.023 -13.522 1.00 1.04 H new ATOM 0 HA GLN B 65 -14.838 -0.882 -14.057 1.00 1.06 H new ATOM 0 HB2 GLN B 65 -14.645 -2.418 -16.671 1.00 1.32 H new ATOM 0 HB3 GLN B 65 -15.723 -1.064 -16.397 1.00 1.32 H new ATOM 0 HG2 GLN B 65 -13.793 0.411 -15.963 1.00 1.38 H new ATOM 0 HG3 GLN B 65 -12.696 -0.939 -16.172 1.00 1.38 H new ATOM 0 HE21 GLN B 65 -12.887 1.610 -17.651 1.00 2.58 H new ATOM 0 HE22 GLN B 65 -13.115 1.167 -19.345 1.00 2.58 H new ATOM 2570 N ASP B 66 -15.975 -3.342 -13.147 1.00 0.93 N ATOM 2571 CA ASP B 66 -17.084 -4.189 -12.726 1.00 0.95 C ATOM 2572 C ASP B 66 -17.631 -3.757 -11.377 1.00 0.81 C ATOM 2573 O ASP B 66 -18.463 -4.450 -10.787 1.00 0.82 O ATOM 2574 CB ASP B 66 -16.673 -5.661 -12.668 1.00 1.06 C ATOM 2575 CG ASP B 66 -16.609 -6.300 -14.038 1.00 1.43 C ATOM 2576 OD1 ASP B 66 -17.671 -6.436 -14.684 1.00 1.88 O ATOM 2577 OD2 ASP B 66 -15.506 -6.689 -14.468 1.00 2.14 O ATOM 0 H ASP B 66 -15.174 -3.347 -12.515 1.00 0.93 H new ATOM 0 HA ASP B 66 -17.869 -4.075 -13.474 1.00 0.95 H new ATOM 0 HB2 ASP B 66 -15.699 -5.744 -12.186 1.00 1.06 H new ATOM 0 HB3 ASP B 66 -17.383 -6.209 -12.048 1.00 1.06 H new ATOM 2582 N GLU B 67 -17.153 -2.612 -10.898 1.00 0.73 N ATOM 2583 CA GLU B 67 -17.640 -2.015 -9.660 1.00 0.63 C ATOM 2584 C GLU B 67 -17.308 -2.915 -8.466 1.00 0.58 C ATOM 2585 O GLU B 67 -18.165 -3.218 -7.633 1.00 0.61 O ATOM 2586 CB GLU B 67 -19.151 -1.754 -9.765 1.00 0.68 C ATOM 2587 CG GLU B 67 -19.731 -0.921 -8.633 1.00 0.97 C ATOM 2588 CD GLU B 67 -21.217 -0.690 -8.796 1.00 1.42 C ATOM 2589 OE1 GLU B 67 -21.999 -1.635 -8.572 1.00 2.00 O ATOM 2590 OE2 GLU B 67 -21.609 0.437 -9.159 1.00 2.01 O ATOM 0 H GLU B 67 -16.418 -2.073 -11.357 1.00 0.73 H new ATOM 0 HA GLU B 67 -17.141 -1.059 -9.501 1.00 0.63 H new ATOM 0 HB2 GLU B 67 -19.354 -1.250 -10.710 1.00 0.68 H new ATOM 0 HB3 GLU B 67 -19.670 -2.712 -9.796 1.00 0.68 H new ATOM 0 HG2 GLU B 67 -19.545 -1.422 -7.683 1.00 0.97 H new ATOM 0 HG3 GLU B 67 -19.218 0.040 -8.592 1.00 0.97 H new ATOM 2597 N GLN B 68 -16.052 -3.340 -8.388 1.00 0.62 N ATOM 2598 CA GLN B 68 -15.624 -4.238 -7.324 1.00 0.66 C ATOM 2599 C GLN B 68 -14.195 -3.942 -6.869 1.00 0.66 C ATOM 2600 O GLN B 68 -13.251 -3.990 -7.661 1.00 0.78 O ATOM 2601 CB GLN B 68 -15.734 -5.698 -7.784 1.00 0.86 C ATOM 2602 CG GLN B 68 -14.947 -6.014 -9.049 1.00 1.38 C ATOM 2603 CD GLN B 68 -15.000 -7.484 -9.424 1.00 1.64 C ATOM 2604 OE1 GLN B 68 -14.924 -7.839 -10.599 1.00 2.16 O ATOM 2605 NE2 GLN B 68 -15.125 -8.350 -8.432 1.00 2.07 N ATOM 0 H GLN B 68 -15.317 -3.079 -9.045 1.00 0.62 H new ATOM 0 HA GLN B 68 -16.285 -4.074 -6.473 1.00 0.66 H new ATOM 0 HB2 GLN B 68 -15.386 -6.348 -6.981 1.00 0.86 H new ATOM 0 HB3 GLN B 68 -16.784 -5.936 -7.954 1.00 0.86 H new ATOM 0 HG2 GLN B 68 -15.340 -5.419 -9.874 1.00 1.38 H new ATOM 0 HG3 GLN B 68 -13.908 -5.717 -8.908 1.00 1.38 H new ATOM 0 HE21 GLN B 68 -15.185 -8.018 -7.469 1.00 2.07 H new ATOM 0 HE22 GLN B 68 -15.161 -9.350 -8.630 1.00 2.07 H new ATOM 2614 N VAL B 69 -14.047 -3.605 -5.597 1.00 0.59 N ATOM 2615 CA VAL B 69 -12.729 -3.500 -4.990 1.00 0.64 C ATOM 2616 C VAL B 69 -12.287 -4.849 -4.423 1.00 0.64 C ATOM 2617 O VAL B 69 -12.811 -5.312 -3.413 1.00 0.68 O ATOM 2618 CB VAL B 69 -12.701 -2.453 -3.856 1.00 0.72 C ATOM 2619 CG1 VAL B 69 -11.319 -2.370 -3.226 1.00 1.81 C ATOM 2620 CG2 VAL B 69 -13.125 -1.094 -4.374 1.00 1.22 C ATOM 0 H VAL B 69 -14.822 -3.400 -4.966 1.00 0.59 H new ATOM 0 HA VAL B 69 -12.044 -3.184 -5.777 1.00 0.64 H new ATOM 0 HB VAL B 69 -13.408 -2.770 -3.089 1.00 0.72 H new ATOM 0 HG11 VAL B 69 -11.326 -1.625 -2.430 1.00 1.81 H new ATOM 0 HG12 VAL B 69 -11.049 -3.341 -2.812 1.00 1.81 H new ATOM 0 HG13 VAL B 69 -10.590 -2.084 -3.984 1.00 1.81 H new ATOM 0 HG21 VAL B 69 -13.099 -0.370 -3.560 1.00 1.22 H new ATOM 0 HG22 VAL B 69 -12.444 -0.777 -5.164 1.00 1.22 H new ATOM 0 HG23 VAL B 69 -14.138 -1.156 -4.772 1.00 1.22 H new ATOM 2630 N ASP B 70 -11.333 -5.478 -5.091 1.00 0.67 N ATOM 2631 CA ASP B 70 -10.706 -6.691 -4.574 1.00 0.73 C ATOM 2632 C ASP B 70 -9.432 -6.290 -3.833 1.00 0.64 C ATOM 2633 O ASP B 70 -9.167 -5.098 -3.681 1.00 0.56 O ATOM 2634 CB ASP B 70 -10.387 -7.660 -5.723 1.00 0.84 C ATOM 2635 CG ASP B 70 -10.241 -9.108 -5.274 1.00 1.38 C ATOM 2636 OD1 ASP B 70 -9.194 -9.459 -4.690 1.00 1.98 O ATOM 2637 OD2 ASP B 70 -11.161 -9.909 -5.534 1.00 2.02 O ATOM 0 H ASP B 70 -10.973 -5.170 -5.994 1.00 0.67 H new ATOM 0 HA ASP B 70 -11.384 -7.203 -3.891 1.00 0.73 H new ATOM 0 HB2 ASP B 70 -11.178 -7.598 -6.470 1.00 0.84 H new ATOM 0 HB3 ASP B 70 -9.464 -7.344 -6.209 1.00 0.84 H new ATOM 2642 N PHE B 71 -8.635 -7.251 -3.394 1.00 0.70 N ATOM 2643 CA PHE B 71 -7.438 -6.942 -2.614 1.00 0.67 C ATOM 2644 C PHE B 71 -6.453 -6.098 -3.408 1.00 0.56 C ATOM 2645 O PHE B 71 -5.876 -5.155 -2.880 1.00 0.48 O ATOM 2646 CB PHE B 71 -6.736 -8.211 -2.147 1.00 0.83 C ATOM 2647 CG PHE B 71 -7.520 -9.013 -1.151 1.00 1.12 C ATOM 2648 CD1 PHE B 71 -8.432 -9.966 -1.573 1.00 1.50 C ATOM 2649 CD2 PHE B 71 -7.340 -8.815 0.207 1.00 1.93 C ATOM 2650 CE1 PHE B 71 -9.151 -10.707 -0.656 1.00 1.76 C ATOM 2651 CE2 PHE B 71 -8.056 -9.552 1.128 1.00 2.18 C ATOM 2652 CZ PHE B 71 -8.963 -10.500 0.695 1.00 1.77 C ATOM 0 H PHE B 71 -8.790 -8.245 -3.560 1.00 0.70 H new ATOM 0 HA PHE B 71 -7.774 -6.375 -1.746 1.00 0.67 H new ATOM 0 HB2 PHE B 71 -6.524 -8.836 -3.014 1.00 0.83 H new ATOM 0 HB3 PHE B 71 -5.776 -7.941 -1.706 1.00 0.83 H new ATOM 0 HD1 PHE B 71 -8.582 -10.131 -2.630 1.00 1.50 H new ATOM 0 HD2 PHE B 71 -6.631 -8.076 0.550 1.00 1.93 H new ATOM 0 HE1 PHE B 71 -9.860 -11.448 -0.996 1.00 1.76 H new ATOM 0 HE2 PHE B 71 -7.908 -9.388 2.185 1.00 2.18 H new ATOM 0 HZ PHE B 71 -9.524 -11.079 1.414 1.00 1.77 H new ATOM 2662 N GLN B 72 -6.260 -6.437 -4.675 1.00 0.60 N ATOM 2663 CA GLN B 72 -5.307 -5.718 -5.508 1.00 0.57 C ATOM 2664 C GLN B 72 -5.826 -4.328 -5.823 1.00 0.50 C ATOM 2665 O GLN B 72 -5.079 -3.350 -5.826 1.00 0.47 O ATOM 2666 CB GLN B 72 -5.034 -6.481 -6.799 1.00 0.70 C ATOM 2667 CG GLN B 72 -3.800 -5.986 -7.532 1.00 0.75 C ATOM 2668 CD GLN B 72 -4.015 -4.725 -8.363 1.00 1.09 C ATOM 2669 OE1 GLN B 72 -3.098 -3.920 -8.528 1.00 1.67 O ATOM 2670 NE2 GLN B 72 -5.211 -4.541 -8.894 1.00 1.66 N ATOM 0 H GLN B 72 -6.747 -7.200 -5.146 1.00 0.60 H new ATOM 0 HA GLN B 72 -4.371 -5.629 -4.956 1.00 0.57 H new ATOM 0 HB2 GLN B 72 -4.913 -7.540 -6.570 1.00 0.70 H new ATOM 0 HB3 GLN B 72 -5.899 -6.394 -7.456 1.00 0.70 H new ATOM 0 HG2 GLN B 72 -3.013 -5.794 -6.802 1.00 0.75 H new ATOM 0 HG3 GLN B 72 -3.441 -6.780 -8.187 1.00 0.75 H new ATOM 0 HE21 GLN B 72 -5.949 -5.227 -8.738 1.00 1.66 H new ATOM 0 HE22 GLN B 72 -5.396 -3.713 -9.460 1.00 1.66 H new ATOM 2679 N GLU B 73 -7.109 -4.252 -6.099 1.00 0.50 N ATOM 2680 CA GLU B 73 -7.756 -2.978 -6.347 1.00 0.47 C ATOM 2681 C GLU B 73 -7.620 -2.118 -5.097 1.00 0.36 C ATOM 2682 O GLU B 73 -7.352 -0.921 -5.166 1.00 0.33 O ATOM 2683 CB GLU B 73 -9.234 -3.174 -6.704 1.00 0.56 C ATOM 2684 CG GLU B 73 -9.535 -4.457 -7.479 1.00 0.78 C ATOM 2685 CD GLU B 73 -8.670 -4.655 -8.708 1.00 1.16 C ATOM 2686 OE1 GLU B 73 -8.935 -4.014 -9.739 1.00 1.82 O ATOM 2687 OE2 GLU B 73 -7.729 -5.479 -8.649 1.00 1.99 O ATOM 0 H GLU B 73 -7.729 -5.060 -6.158 1.00 0.50 H new ATOM 0 HA GLU B 73 -7.278 -2.485 -7.193 1.00 0.47 H new ATOM 0 HB2 GLU B 73 -9.820 -3.174 -5.785 1.00 0.56 H new ATOM 0 HB3 GLU B 73 -9.568 -2.321 -7.295 1.00 0.56 H new ATOM 0 HG2 GLU B 73 -9.403 -5.310 -6.814 1.00 0.78 H new ATOM 0 HG3 GLU B 73 -10.582 -4.448 -7.782 1.00 0.78 H new ATOM 2694 N PHE B 74 -7.763 -2.761 -3.947 1.00 0.37 N ATOM 2695 CA PHE B 74 -7.577 -2.098 -2.669 1.00 0.34 C ATOM 2696 C PHE B 74 -6.114 -1.715 -2.474 1.00 0.32 C ATOM 2697 O PHE B 74 -5.798 -0.736 -1.806 1.00 0.34 O ATOM 2698 CB PHE B 74 -8.053 -2.996 -1.527 1.00 0.43 C ATOM 2699 CG PHE B 74 -8.045 -2.320 -0.187 1.00 0.78 C ATOM 2700 CD1 PHE B 74 -8.945 -1.308 0.096 1.00 1.32 C ATOM 2701 CD2 PHE B 74 -7.139 -2.699 0.790 1.00 1.44 C ATOM 2702 CE1 PHE B 74 -8.943 -0.685 1.328 1.00 1.77 C ATOM 2703 CE2 PHE B 74 -7.131 -2.080 2.024 1.00 1.92 C ATOM 2704 CZ PHE B 74 -8.035 -1.072 2.293 1.00 1.90 C ATOM 0 H PHE B 74 -8.009 -3.748 -3.876 1.00 0.37 H new ATOM 0 HA PHE B 74 -8.175 -1.187 -2.663 1.00 0.34 H new ATOM 0 HB2 PHE B 74 -9.064 -3.341 -1.744 1.00 0.43 H new ATOM 0 HB3 PHE B 74 -7.417 -3.880 -1.482 1.00 0.43 H new ATOM 0 HD1 PHE B 74 -9.657 -1.002 -0.656 1.00 1.32 H new ATOM 0 HD2 PHE B 74 -6.431 -3.488 0.584 1.00 1.44 H new ATOM 0 HE1 PHE B 74 -9.651 0.104 1.536 1.00 1.77 H new ATOM 0 HE2 PHE B 74 -6.419 -2.384 2.777 1.00 1.92 H new ATOM 0 HZ PHE B 74 -8.032 -0.587 3.258 1.00 1.90 H new ATOM 2714 N ILE B 75 -5.234 -2.488 -3.086 1.00 0.33 N ATOM 2715 CA ILE B 75 -3.809 -2.209 -3.069 1.00 0.36 C ATOM 2716 C ILE B 75 -3.545 -0.916 -3.820 1.00 0.34 C ATOM 2717 O ILE B 75 -2.706 -0.105 -3.422 1.00 0.36 O ATOM 2718 CB ILE B 75 -3.019 -3.386 -3.693 1.00 0.41 C ATOM 2719 CG1 ILE B 75 -2.481 -4.301 -2.600 1.00 0.49 C ATOM 2720 CG2 ILE B 75 -1.891 -2.899 -4.586 1.00 0.46 C ATOM 2721 CD1 ILE B 75 -2.112 -5.671 -3.108 1.00 0.67 C ATOM 0 H ILE B 75 -5.487 -3.327 -3.609 1.00 0.33 H new ATOM 0 HA ILE B 75 -3.472 -2.095 -2.039 1.00 0.36 H new ATOM 0 HB ILE B 75 -3.709 -3.951 -4.320 1.00 0.41 H new ATOM 0 HG12 ILE B 75 -1.604 -3.839 -2.146 1.00 0.49 H new ATOM 0 HG13 ILE B 75 -3.231 -4.400 -1.815 1.00 0.49 H new ATOM 0 HG21 ILE B 75 -1.362 -3.756 -5.004 1.00 0.46 H new ATOM 0 HG22 ILE B 75 -2.302 -2.296 -5.396 1.00 0.46 H new ATOM 0 HG23 ILE B 75 -1.198 -2.295 -4.000 1.00 0.46 H new ATOM 0 HD11 ILE B 75 -1.736 -6.276 -2.283 1.00 0.67 H new ATOM 0 HD12 ILE B 75 -2.993 -6.150 -3.536 1.00 0.67 H new ATOM 0 HD13 ILE B 75 -1.341 -5.580 -3.873 1.00 0.67 H new ATOM 2733 N SER B 76 -4.294 -0.722 -4.897 1.00 0.34 N ATOM 2734 CA SER B 76 -4.242 0.517 -5.637 1.00 0.36 C ATOM 2735 C SER B 76 -4.699 1.658 -4.736 1.00 0.31 C ATOM 2736 O SER B 76 -4.113 2.729 -4.733 1.00 0.33 O ATOM 2737 CB SER B 76 -5.123 0.429 -6.882 1.00 0.45 C ATOM 2738 OG SER B 76 -4.777 -0.697 -7.676 1.00 0.74 O ATOM 0 H SER B 76 -4.944 -1.412 -5.273 1.00 0.34 H new ATOM 0 HA SER B 76 -3.218 0.704 -5.961 1.00 0.36 H new ATOM 0 HB2 SER B 76 -6.170 0.361 -6.586 1.00 0.45 H new ATOM 0 HB3 SER B 76 -5.017 1.340 -7.471 1.00 0.45 H new ATOM 0 HG SER B 76 -5.357 -0.731 -8.465 1.00 0.74 H new ATOM 2744 N LEU B 77 -5.729 1.401 -3.939 1.00 0.28 N ATOM 2745 CA LEU B 77 -6.226 2.383 -2.983 1.00 0.26 C ATOM 2746 C LEU B 77 -5.121 2.774 -2.010 1.00 0.23 C ATOM 2747 O LEU B 77 -4.940 3.950 -1.713 1.00 0.23 O ATOM 2748 CB LEU B 77 -7.455 1.820 -2.239 1.00 0.30 C ATOM 2749 CG LEU B 77 -8.049 2.682 -1.106 1.00 0.38 C ATOM 2750 CD1 LEU B 77 -7.319 2.447 0.210 1.00 1.11 C ATOM 2751 CD2 LEU B 77 -8.015 4.155 -1.474 1.00 1.14 C ATOM 0 H LEU B 77 -6.238 0.517 -3.936 1.00 0.28 H new ATOM 0 HA LEU B 77 -6.536 3.281 -3.517 1.00 0.26 H new ATOM 0 HB2 LEU B 77 -8.240 1.639 -2.973 1.00 0.30 H new ATOM 0 HB3 LEU B 77 -7.182 0.852 -1.819 1.00 0.30 H new ATOM 0 HG LEU B 77 -9.088 2.381 -0.974 1.00 0.38 H new ATOM 0 HD11 LEU B 77 -7.762 3.069 0.988 1.00 1.11 H new ATOM 0 HD12 LEU B 77 -7.406 1.398 0.492 1.00 1.11 H new ATOM 0 HD13 LEU B 77 -6.267 2.706 0.094 1.00 1.11 H new ATOM 0 HD21 LEU B 77 -8.439 4.743 -0.660 1.00 1.14 H new ATOM 0 HD22 LEU B 77 -6.984 4.463 -1.646 1.00 1.14 H new ATOM 0 HD23 LEU B 77 -8.598 4.317 -2.381 1.00 1.14 H new ATOM 2763 N VAL B 78 -4.373 1.792 -1.531 1.00 0.24 N ATOM 2764 CA VAL B 78 -3.288 2.067 -0.604 1.00 0.25 C ATOM 2765 C VAL B 78 -2.200 2.864 -1.300 1.00 0.27 C ATOM 2766 O VAL B 78 -1.518 3.665 -0.681 1.00 0.28 O ATOM 2767 CB VAL B 78 -2.676 0.785 -0.020 1.00 0.29 C ATOM 2768 CG1 VAL B 78 -1.728 1.125 1.114 1.00 0.33 C ATOM 2769 CG2 VAL B 78 -3.769 -0.162 0.449 1.00 0.31 C ATOM 0 H VAL B 78 -4.496 0.807 -1.766 1.00 0.24 H new ATOM 0 HA VAL B 78 -3.712 2.641 0.220 1.00 0.25 H new ATOM 0 HB VAL B 78 -2.107 0.281 -0.801 1.00 0.29 H new ATOM 0 HG11 VAL B 78 -1.301 0.207 1.519 1.00 0.33 H new ATOM 0 HG12 VAL B 78 -0.928 1.763 0.740 1.00 0.33 H new ATOM 0 HG13 VAL B 78 -2.273 1.649 1.899 1.00 0.33 H new ATOM 0 HG21 VAL B 78 -3.317 -1.065 0.860 1.00 0.31 H new ATOM 0 HG22 VAL B 78 -4.368 0.326 1.218 1.00 0.31 H new ATOM 0 HG23 VAL B 78 -4.407 -0.427 -0.394 1.00 0.31 H new ATOM 2779 N ALA B 79 -2.048 2.642 -2.594 1.00 0.31 N ATOM 2780 CA ALA B 79 -1.133 3.433 -3.399 1.00 0.36 C ATOM 2781 C ALA B 79 -1.553 4.899 -3.368 1.00 0.33 C ATOM 2782 O ALA B 79 -0.750 5.788 -3.087 1.00 0.34 O ATOM 2783 CB ALA B 79 -1.110 2.910 -4.827 1.00 0.43 C ATOM 0 H ALA B 79 -2.548 1.919 -3.111 1.00 0.31 H new ATOM 0 HA ALA B 79 -0.127 3.351 -2.987 1.00 0.36 H new ATOM 0 HB1 ALA B 79 -0.421 3.509 -5.423 1.00 0.43 H new ATOM 0 HB2 ALA B 79 -0.782 1.871 -4.829 1.00 0.43 H new ATOM 0 HB3 ALA B 79 -2.111 2.975 -5.254 1.00 0.43 H new ATOM 2789 N ILE B 80 -2.831 5.127 -3.640 1.00 0.32 N ATOM 2790 CA ILE B 80 -3.433 6.455 -3.564 1.00 0.32 C ATOM 2791 C ILE B 80 -3.261 7.039 -2.162 1.00 0.28 C ATOM 2792 O ILE B 80 -2.947 8.218 -1.993 1.00 0.31 O ATOM 2793 CB ILE B 80 -4.947 6.393 -3.920 1.00 0.34 C ATOM 2794 CG1 ILE B 80 -5.171 6.350 -5.440 1.00 0.38 C ATOM 2795 CG2 ILE B 80 -5.710 7.563 -3.312 1.00 0.36 C ATOM 2796 CD1 ILE B 80 -4.545 5.164 -6.142 1.00 0.40 C ATOM 0 H ILE B 80 -3.483 4.395 -3.921 1.00 0.32 H new ATOM 0 HA ILE B 80 -2.926 7.097 -4.284 1.00 0.32 H new ATOM 0 HB ILE B 80 -5.334 5.468 -3.492 1.00 0.34 H new ATOM 0 HG12 ILE B 80 -6.243 6.345 -5.635 1.00 0.38 H new ATOM 0 HG13 ILE B 80 -4.772 7.265 -5.878 1.00 0.38 H new ATOM 0 HG21 ILE B 80 -6.764 7.489 -3.580 1.00 0.36 H new ATOM 0 HG22 ILE B 80 -5.609 7.539 -2.227 1.00 0.36 H new ATOM 0 HG23 ILE B 80 -5.304 8.500 -3.693 1.00 0.36 H new ATOM 0 HD11 ILE B 80 -4.756 5.220 -7.210 1.00 0.40 H new ATOM 0 HD12 ILE B 80 -3.467 5.176 -5.984 1.00 0.40 H new ATOM 0 HD13 ILE B 80 -4.961 4.241 -5.738 1.00 0.40 H new ATOM 2808 N ALA B 81 -3.448 6.188 -1.170 1.00 0.23 N ATOM 2809 CA ALA B 81 -3.434 6.595 0.222 1.00 0.23 C ATOM 2810 C ALA B 81 -2.029 6.937 0.715 1.00 0.23 C ATOM 2811 O ALA B 81 -1.845 7.921 1.425 1.00 0.28 O ATOM 2812 CB ALA B 81 -4.059 5.503 1.065 1.00 0.24 C ATOM 0 H ALA B 81 -3.614 5.191 -1.308 1.00 0.23 H new ATOM 0 HA ALA B 81 -4.019 7.510 0.317 1.00 0.23 H new ATOM 0 HB1 ALA B 81 -4.051 5.803 2.113 1.00 0.24 H new ATOM 0 HB2 ALA B 81 -5.087 5.338 0.742 1.00 0.24 H new ATOM 0 HB3 ALA B 81 -3.489 4.581 0.947 1.00 0.24 H new ATOM 2818 N LEU B 82 -1.045 6.129 0.342 1.00 0.22 N ATOM 2819 CA LEU B 82 0.344 6.387 0.710 1.00 0.23 C ATOM 2820 C LEU B 82 0.848 7.625 -0.013 1.00 0.24 C ATOM 2821 O LEU B 82 1.595 8.433 0.546 1.00 0.30 O ATOM 2822 CB LEU B 82 1.232 5.194 0.365 1.00 0.25 C ATOM 2823 CG LEU B 82 0.895 3.885 1.080 1.00 0.27 C ATOM 2824 CD1 LEU B 82 1.876 2.807 0.676 1.00 0.33 C ATOM 2825 CD2 LEU B 82 0.907 4.072 2.586 1.00 0.32 C ATOM 0 H LEU B 82 -1.182 5.287 -0.217 1.00 0.22 H new ATOM 0 HA LEU B 82 0.387 6.549 1.787 1.00 0.23 H new ATOM 0 HB2 LEU B 82 1.177 5.023 -0.710 1.00 0.25 H new ATOM 0 HB3 LEU B 82 2.265 5.456 0.594 1.00 0.25 H new ATOM 0 HG LEU B 82 -0.109 3.580 0.785 1.00 0.27 H new ATOM 0 HD11 LEU B 82 1.628 1.878 1.190 1.00 0.33 H new ATOM 0 HD12 LEU B 82 1.822 2.651 -0.401 1.00 0.33 H new ATOM 0 HD13 LEU B 82 2.886 3.114 0.948 1.00 0.33 H new ATOM 0 HD21 LEU B 82 0.664 3.127 3.072 1.00 0.32 H new ATOM 0 HD22 LEU B 82 1.897 4.400 2.904 1.00 0.32 H new ATOM 0 HD23 LEU B 82 0.169 4.824 2.865 1.00 0.32 H new ATOM 2837 N LYS B 83 0.439 7.754 -1.269 1.00 0.26 N ATOM 2838 CA LYS B 83 0.693 8.957 -2.042 1.00 0.33 C ATOM 2839 C LYS B 83 0.131 10.165 -1.307 1.00 0.31 C ATOM 2840 O LYS B 83 0.857 11.094 -0.990 1.00 0.44 O ATOM 2841 CB LYS B 83 0.049 8.836 -3.425 1.00 0.42 C ATOM 2842 CG LYS B 83 0.971 8.326 -4.522 1.00 0.66 C ATOM 2843 CD LYS B 83 1.596 9.448 -5.337 1.00 1.04 C ATOM 2844 CE LYS B 83 2.711 10.164 -4.593 1.00 0.80 C ATOM 2845 NZ LYS B 83 3.448 11.097 -5.488 1.00 1.67 N ATOM 0 H LYS B 83 -0.074 7.032 -1.775 1.00 0.26 H new ATOM 0 HA LYS B 83 1.768 9.083 -2.166 1.00 0.33 H new ATOM 0 HB2 LYS B 83 -0.809 8.167 -3.352 1.00 0.42 H new ATOM 0 HB3 LYS B 83 -0.333 9.814 -3.718 1.00 0.42 H new ATOM 0 HG2 LYS B 83 1.762 7.724 -4.075 1.00 0.66 H new ATOM 0 HG3 LYS B 83 0.409 7.670 -5.187 1.00 0.66 H new ATOM 0 HD2 LYS B 83 1.990 9.039 -6.267 1.00 1.04 H new ATOM 0 HD3 LYS B 83 0.824 10.169 -5.607 1.00 1.04 H new ATOM 0 HE2 LYS B 83 2.293 10.718 -3.752 1.00 0.80 H new ATOM 0 HE3 LYS B 83 3.404 9.431 -4.179 1.00 0.80 H new ATOM 0 HZ1 LYS B 83 4.453 11.111 -5.223 1.00 1.67 H new ATOM 0 HZ2 LYS B 83 3.355 10.779 -6.474 1.00 1.67 H new ATOM 0 HZ3 LYS B 83 3.052 12.054 -5.394 1.00 1.67 H new ATOM 2859 N ALA B 84 -1.158 10.121 -1.003 1.00 0.31 N ATOM 2860 CA ALA B 84 -1.828 11.207 -0.302 1.00 0.35 C ATOM 2861 C ALA B 84 -1.268 11.423 1.105 1.00 0.33 C ATOM 2862 O ALA B 84 -1.463 12.480 1.691 1.00 0.40 O ATOM 2863 CB ALA B 84 -3.324 10.953 -0.244 1.00 0.48 C ATOM 0 H ALA B 84 -1.767 9.336 -1.234 1.00 0.31 H new ATOM 0 HA ALA B 84 -1.640 12.121 -0.866 1.00 0.35 H new ATOM 0 HB1 ALA B 84 -3.812 11.773 0.283 1.00 0.48 H new ATOM 0 HB2 ALA B 84 -3.721 10.885 -1.257 1.00 0.48 H new ATOM 0 HB3 ALA B 84 -3.514 10.018 0.284 1.00 0.48 H new ATOM 2869 N ALA B 85 -0.614 10.411 1.660 1.00 0.30 N ATOM 2870 CA ALA B 85 -0.035 10.514 2.995 1.00 0.38 C ATOM 2871 C ALA B 85 1.166 11.462 3.020 1.00 0.44 C ATOM 2872 O ALA B 85 1.156 12.461 3.738 1.00 0.57 O ATOM 2873 CB ALA B 85 0.362 9.139 3.506 1.00 0.42 C ATOM 0 H ALA B 85 -0.471 9.508 1.207 1.00 0.30 H new ATOM 0 HA ALA B 85 -0.796 10.931 3.654 1.00 0.38 H new ATOM 0 HB1 ALA B 85 0.793 9.232 4.503 1.00 0.42 H new ATOM 0 HB2 ALA B 85 -0.519 8.499 3.549 1.00 0.42 H new ATOM 0 HB3 ALA B 85 1.098 8.699 2.833 1.00 0.42 H new ATOM 2879 N HIS B 86 2.206 11.154 2.247 1.00 0.44 N ATOM 2880 CA HIS B 86 3.413 11.986 2.244 1.00 0.59 C ATOM 2881 C HIS B 86 3.280 13.138 1.249 1.00 0.63 C ATOM 2882 O HIS B 86 3.707 14.259 1.512 1.00 0.72 O ATOM 2883 CB HIS B 86 4.654 11.160 1.914 1.00 0.69 C ATOM 2884 CG HIS B 86 5.931 11.878 2.238 1.00 1.28 C ATOM 2885 ND1 HIS B 86 6.616 12.655 1.330 1.00 2.06 N ATOM 2886 CD2 HIS B 86 6.635 11.947 3.392 1.00 2.11 C ATOM 2887 CE1 HIS B 86 7.684 13.168 1.911 1.00 2.66 C ATOM 2888 NE2 HIS B 86 7.719 12.756 3.160 1.00 2.68 N ATOM 0 H HIS B 86 2.241 10.348 1.623 1.00 0.44 H new ATOM 0 HA HIS B 86 3.526 12.397 3.247 1.00 0.59 H new ATOM 0 HB2 HIS B 86 4.619 10.222 2.468 1.00 0.69 H new ATOM 0 HB3 HIS B 86 4.644 10.905 0.854 1.00 0.69 H new ATOM 0 HD2 HIS B 86 6.389 11.457 4.322 1.00 2.11 H new ATOM 0 HE1 HIS B 86 8.408 13.817 1.440 1.00 2.66 H new ATOM 0 HE2 HIS B 86 8.435 12.998 3.845 1.00 2.68 H new ATOM 2897 N TYR B 87 2.675 12.838 0.113 1.00 0.58 N ATOM 2898 CA TYR B 87 2.419 13.806 -0.953 1.00 0.65 C ATOM 2899 C TYR B 87 1.120 14.552 -0.649 1.00 0.62 C ATOM 2900 O TYR B 87 0.407 14.980 -1.554 1.00 0.66 O ATOM 2901 CB TYR B 87 2.364 13.109 -2.319 1.00 0.69 C ATOM 2902 CG TYR B 87 2.464 14.034 -3.513 1.00 0.87 C ATOM 2903 CD1 TYR B 87 3.528 14.916 -3.653 1.00 1.43 C ATOM 2904 CD2 TYR B 87 1.494 14.014 -4.507 1.00 1.63 C ATOM 2905 CE1 TYR B 87 3.620 15.754 -4.748 1.00 1.54 C ATOM 2906 CE2 TYR B 87 1.582 14.846 -5.606 1.00 1.80 C ATOM 2907 CZ TYR B 87 2.644 15.714 -5.723 1.00 1.29 C ATOM 2908 OH TYR B 87 2.732 16.543 -6.820 1.00 1.51 O ATOM 0 H TYR B 87 2.340 11.899 -0.104 1.00 0.58 H new ATOM 0 HA TYR B 87 3.235 14.527 -0.996 1.00 0.65 H new ATOM 0 HB2 TYR B 87 3.175 12.382 -2.372 1.00 0.69 H new ATOM 0 HB3 TYR B 87 1.430 12.551 -2.388 1.00 0.69 H new ATOM 0 HD1 TYR B 87 4.296 14.947 -2.894 1.00 1.43 H new ATOM 0 HD2 TYR B 87 0.657 13.337 -4.419 1.00 1.63 H new ATOM 0 HE1 TYR B 87 4.452 16.437 -4.840 1.00 1.54 H new ATOM 0 HE2 TYR B 87 0.820 14.816 -6.371 1.00 1.80 H new ATOM 0 HH TYR B 87 1.965 16.387 -7.410 1.00 1.51 H new ATOM 2918 N HIS B 88 0.785 14.563 0.647 1.00 0.59 N ATOM 2919 CA HIS B 88 -0.451 15.127 1.225 1.00 0.62 C ATOM 2920 C HIS B 88 -0.788 16.567 0.782 1.00 0.70 C ATOM 2921 O HIS B 88 -1.583 17.244 1.434 1.00 0.76 O ATOM 2922 CB HIS B 88 -0.326 15.077 2.757 1.00 0.65 C ATOM 2923 CG HIS B 88 -1.619 15.239 3.502 1.00 1.54 C ATOM 2924 ND1 HIS B 88 -2.596 14.272 3.530 1.00 2.37 N ATOM 2925 CD2 HIS B 88 -2.088 16.263 4.255 1.00 2.40 C ATOM 2926 CE1 HIS B 88 -3.608 14.690 4.264 1.00 3.26 C ATOM 2927 NE2 HIS B 88 -3.326 15.895 4.719 1.00 3.27 N ATOM 0 H HIS B 88 1.395 14.161 1.359 1.00 0.59 H new ATOM 0 HA HIS B 88 -1.274 14.518 0.851 1.00 0.62 H new ATOM 0 HB2 HIS B 88 0.122 14.125 3.040 1.00 0.65 H new ATOM 0 HB3 HIS B 88 0.361 15.860 3.077 1.00 0.65 H new ATOM 0 HD1 HIS B 88 -2.546 13.370 3.056 1.00 2.37 H new ATOM 0 HD2 HIS B 88 -1.581 17.196 4.453 1.00 2.40 H new ATOM 0 HE1 HIS B 88 -4.516 14.138 4.460 1.00 3.26 H new ATOM 2936 N THR B 89 -0.220 17.037 -0.315 1.00 0.73 N ATOM 2937 CA THR B 89 -0.611 18.324 -0.857 1.00 0.81 C ATOM 2938 C THR B 89 -2.054 18.217 -1.336 1.00 0.72 C ATOM 2939 O THR B 89 -2.838 19.158 -1.218 1.00 1.05 O ATOM 2940 CB THR B 89 0.312 18.781 -2.013 1.00 0.97 C ATOM 2941 OG1 THR B 89 -0.242 19.932 -2.665 1.00 1.27 O ATOM 2942 CG2 THR B 89 0.523 17.672 -3.033 1.00 0.90 C ATOM 0 H THR B 89 0.506 16.552 -0.842 1.00 0.73 H new ATOM 0 HA THR B 89 -0.519 19.078 -0.075 1.00 0.81 H new ATOM 0 HB THR B 89 1.279 19.035 -1.579 1.00 0.97 H new ATOM 0 HG1 THR B 89 -0.986 19.656 -3.240 1.00 1.27 H new ATOM 0 HG21 THR B 89 1.176 18.029 -3.829 1.00 0.90 H new ATOM 0 HG22 THR B 89 0.982 16.812 -2.546 1.00 0.90 H new ATOM 0 HG23 THR B 89 -0.438 17.379 -3.456 1.00 0.90 H new ATOM 2950 N HIS B 90 -2.380 17.027 -1.849 1.00 0.66 N ATOM 2951 CA HIS B 90 -3.732 16.650 -2.256 1.00 0.65 C ATOM 2952 C HIS B 90 -3.677 15.356 -3.056 1.00 0.94 C ATOM 2953 O HIS B 90 -4.614 14.562 -3.034 1.00 1.78 O ATOM 2954 CB HIS B 90 -4.449 17.753 -3.072 1.00 0.91 C ATOM 2955 CG HIS B 90 -3.738 18.206 -4.318 1.00 1.72 C ATOM 2956 ND1 HIS B 90 -2.772 19.192 -4.316 1.00 2.44 N ATOM 2957 CD2 HIS B 90 -3.878 17.828 -5.611 1.00 2.68 C ATOM 2958 CE1 HIS B 90 -2.353 19.397 -5.550 1.00 3.32 C ATOM 2959 NE2 HIS B 90 -3.007 18.583 -6.354 1.00 3.47 N ATOM 0 H HIS B 90 -1.695 16.285 -1.995 1.00 0.66 H new ATOM 0 HA HIS B 90 -4.317 16.509 -1.347 1.00 0.65 H new ATOM 0 HB2 HIS B 90 -5.437 17.388 -3.352 1.00 0.91 H new ATOM 0 HB3 HIS B 90 -4.599 18.618 -2.426 1.00 0.91 H new ATOM 0 HD2 HIS B 90 -4.551 17.072 -5.987 1.00 2.68 H new ATOM 0 HE1 HIS B 90 -1.601 20.111 -5.851 1.00 3.32 H new ATOM 0 HE2 HIS B 90 -2.885 18.524 -7.365 1.00 3.47 H new ATOM 2968 N LYS B 91 -2.551 15.161 -3.747 1.00 0.91 N ATOM 2969 CA LYS B 91 -2.336 14.037 -4.663 1.00 1.63 C ATOM 2970 C LYS B 91 -3.175 14.232 -5.912 1.00 2.59 C ATOM 2971 O LYS B 91 -2.671 14.195 -7.033 1.00 3.47 O ATOM 2972 CB LYS B 91 -2.670 12.676 -4.036 1.00 1.10 C ATOM 2973 CG LYS B 91 -2.248 11.501 -4.912 1.00 1.28 C ATOM 2974 CD LYS B 91 -3.144 10.280 -4.725 1.00 0.87 C ATOM 2975 CE LYS B 91 -4.492 10.469 -5.408 1.00 0.78 C ATOM 2976 NZ LYS B 91 -4.374 10.429 -6.891 1.00 1.29 N ATOM 0 H LYS B 91 -1.750 15.790 -3.685 1.00 0.91 H new ATOM 0 HA LYS B 91 -1.274 14.027 -4.906 1.00 1.63 H new ATOM 0 HB2 LYS B 91 -2.176 12.597 -3.067 1.00 1.10 H new ATOM 0 HB3 LYS B 91 -3.743 12.619 -3.853 1.00 1.10 H new ATOM 0 HG2 LYS B 91 -2.269 11.806 -5.958 1.00 1.28 H new ATOM 0 HG3 LYS B 91 -1.218 11.231 -4.680 1.00 1.28 H new ATOM 0 HD2 LYS B 91 -2.649 9.398 -5.132 1.00 0.87 H new ATOM 0 HD3 LYS B 91 -3.296 10.098 -3.661 1.00 0.87 H new ATOM 0 HE2 LYS B 91 -5.179 9.690 -5.077 1.00 0.78 H new ATOM 0 HE3 LYS B 91 -4.922 11.423 -5.104 1.00 0.78 H new ATOM 0 HZ1 LYS B 91 -5.301 10.629 -7.319 1.00 1.29 H new ATOM 0 HZ2 LYS B 91 -3.687 11.144 -7.204 1.00 1.29 H new ATOM 0 HZ3 LYS B 91 -4.052 9.486 -7.188 1.00 1.29 H new ATOM 2990 N GLU B 92 -4.457 14.455 -5.695 1.00 2.69 N ATOM 2991 CA GLU B 92 -5.405 14.618 -6.784 1.00 3.81 C ATOM 2992 C GLU B 92 -6.705 15.211 -6.258 1.00 4.36 C ATOM 2993 O GLU B 92 -7.587 14.433 -5.852 1.00 4.92 O ATOM 2994 CB GLU B 92 -5.656 13.266 -7.448 1.00 4.66 C ATOM 2995 CG GLU B 92 -6.549 13.313 -8.673 1.00 5.74 C ATOM 2996 CD GLU B 92 -6.667 11.956 -9.329 1.00 6.58 C ATOM 2997 OE1 GLU B 92 -6.410 10.940 -8.648 1.00 7.00 O ATOM 2998 OE2 GLU B 92 -7.003 11.896 -10.529 1.00 7.08 O ATOM 2999 OXT GLU B 92 -6.825 16.454 -6.238 1.00 4.64 O ATOM 0 H GLU B 92 -4.870 14.528 -4.765 1.00 2.69 H new ATOM 0 HA GLU B 92 -4.994 15.302 -7.526 1.00 3.81 H new ATOM 0 HB2 GLU B 92 -4.697 12.833 -7.732 1.00 4.66 H new ATOM 0 HB3 GLU B 92 -6.104 12.595 -6.715 1.00 4.66 H new ATOM 0 HG2 GLU B 92 -7.540 13.667 -8.388 1.00 5.74 H new ATOM 0 HG3 GLU B 92 -6.148 14.030 -9.389 1.00 5.74 H new TER 3006 GLU B 92