USER MOD reduce.3.24.130724 H: found=0, std=0, add=1352, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1325 hydrogens (76 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 NoAdj-H: B 201 DAL H2 : B 201 DAL N : B 211 ALA C :(H bumps) USER MOD NoAdj-H: B 202 MLE H : B 202 MLE N : B 201 DAL C :(H bumps) USER MOD NoAdj-H: B 203 MLE H : B 203 MLE N : B 202 MLE C :(H bumps) USER MOD NoAdj-H: B 204 MVA H : B 204 MVA N : B 203 MLE C :(H bumps) USER MOD NoAdj-H: B 205 BMT H : B 205 BMT N : B 204 MVA C :(H bumps) USER MOD NoAdj-H: B 206 ABA HN2 : B 206 ABA N : B 205 BMT C :(H bumps) USER MOD NoAdj-H: B 207 SAR H : B 207 SAR N : B 206 ABA C :(H bumps) USER MOD NoAdj-H: B 208 MLE H : B 208 MLE N : B 207 SAR C :(H bumps) USER MOD NoAdj-H: B 210 MLE H : B 210 MLE N : B 209 VAL C :(H bumps) USER MOD Set 1.1: A 102 ASN :FLIP amide:sc= 1.03 F(o=-1.1,f=0.27) USER MOD Set 1.2: A 108 ASN :FLIP amide:sc= -0.273 F(o=-1.1,f=0.27) USER MOD Set 1.3: A 126 HIS :FLIP no HE2:sc= -0.484 F(o=-1.1!,f=0.27) USER MOD Set 2.1: A 92 HIS : no HE2:sc= -5.13! C(o=-2.7!,f=-8.6!) USER MOD Set 2.2: A 99 SER OG : rot 170:sc= -0.0922 USER MOD Set 2.3: A 115 CYS SG : rot -99:sc= 1.42 USER MOD Set 2.4: A 119 THR OG1 : rot -124:sc= 1.06 USER MOD Set 3.1: A 110 SER OG : rot -93:sc= 1.72! USER MOD Set 3.2: A 111 GLN : amide:sc= 0.783 K(o=2.5,f=-4.5!) USER MOD Set 4.1: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 63 GLN : amide:sc= -3.25! C(o=-3.2!,f=-6.5!) USER MOD Set 5.1: A 35 ASN : amide:sc= -0.146 K(o=0.13,f=-1.9) USER MOD Set 5.2: A 77 SER OG : rot 180:sc= 0.274 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= -0.0443 (180deg=-0.541) USER MOD Single : A 3 ASN : amide:sc= 0.239 K(o=0.24,f=-5.6!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 7:sc= -0.116 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -174:sc= 0.723 (180deg=0.186) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : A 40 SER OG : rot 75:sc= 0.988 USER MOD Single : A 41 THR OG1 : rot -22:sc= 0.0503 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= -1.4 (180deg=-1.4) USER MOD Single : A 49 LYS NZ :NH3+ 137:sc= 1.63 (180deg=-0.245) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 87:sc= 0.768 USER MOD Single : A 54 HIS : no HD1:sc= -1.11 X(o=-1.1,f=-0.61) USER MOD Single : A 61 MET CE :methyl -175:sc= 0 (180deg=-0.0498) USER MOD Single : A 62 CYS SG : rot -3:sc= -1.61 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS :FLIP no HE2:sc= -0.887 F(o=-2,f=-0.89) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc=-0.00599 USER MOD Single : A 76 LYS NZ :NH3+ -143:sc= 1.12 (180deg=-1) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 163:sc= -0.0366 (180deg=-0.324) USER MOD Single : A 87 ASN : amide:sc= -0.992 X(o=-0.99,f=-0.63) USER MOD Single : A 91 LYS NZ :NH3+ 158:sc= 0.415 (180deg=-0.517) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 100 MET CE :methyl 171:sc= -0.215 (180deg=-0.474) USER MOD Single : A 106 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.17) USER MOD Single : A 107 THR OG1 : rot -130:sc= 0.0853 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -150:sc= 1.23 (180deg=1.02) USER MOD Single : A 125 LYS NZ :NH3+ 175:sc= 1.99 (180deg=1.86) USER MOD Single : A 131 LYS NZ :NH3+ 162:sc= 1.06 (180deg=0.414) USER MOD Single : A 133 LYS NZ :NH3+ 177:sc= 1.27 (180deg=1.23) USER MOD Single : A 136 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 142 MET CE :methyl -144:sc= 0 (180deg=-0.181) USER MOD Single : A 147 SER OG : rot 180:sc= -0.397 USER MOD Single : A 149 ASN : amide:sc= -0.689 K(o=-0.69,f=-12!) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 92:sc= 0.926 USER MOD Single : A 153 SER OG : rot 7:sc= 0.256! USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 THR OG1 : rot 55:sc= 0.984 USER MOD Single : A 161 CYS SG : rot 91:sc=-0.00037 USER MOD Single : A 163 GLN : amide:sc= -0.805 K(o=-0.8,f=-7.1!) USER MOD Single : B 205 BMT OG1 : rot -115:sc= -5.08! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.942 -21.783 -11.410 1.00 5.50 N ATOM 2 CA MET A 1 2.843 -20.468 -10.800 1.00 4.93 C ATOM 3 C MET A 1 1.725 -20.432 -9.756 1.00 3.86 C ATOM 4 O MET A 1 0.685 -21.064 -9.932 1.00 4.35 O ATOM 5 CB MET A 1 2.566 -19.422 -11.882 1.00 5.88 C ATOM 6 CG MET A 1 3.773 -19.259 -12.808 1.00 7.05 C ATOM 7 SD MET A 1 5.081 -18.391 -11.959 1.00 8.31 S ATOM 8 CE MET A 1 6.323 -18.371 -13.241 1.00 9.95 C ATOM 0 H1 MET A 1 3.904 -22.155 -11.279 1.00 5.50 H new ATOM 0 H2 MET A 1 2.258 -22.426 -10.962 1.00 5.50 H new ATOM 0 H3 MET A 1 2.734 -21.711 -12.426 1.00 5.50 H new ATOM 0 HA MET A 1 3.787 -20.246 -10.302 1.00 4.93 H new ATOM 0 HB2 MET A 1 1.694 -19.718 -12.464 1.00 5.88 H new ATOM 0 HB3 MET A 1 2.329 -18.466 -11.416 1.00 5.88 H new ATOM 0 HG2 MET A 1 4.126 -20.237 -13.134 1.00 7.05 H new ATOM 0 HG3 MET A 1 3.483 -18.710 -13.704 1.00 7.05 H new ATOM 0 HE1 MET A 1 7.215 -17.862 -12.876 1.00 9.95 H new ATOM 0 HE2 MET A 1 6.577 -19.394 -13.517 1.00 9.95 H new ATOM 0 HE3 MET A 1 5.936 -17.845 -14.114 1.00 9.95 H new ATOM 18 N VAL A 2 1.977 -19.685 -8.691 1.00 3.26 N ATOM 19 CA VAL A 2 1.009 -19.564 -7.615 1.00 2.68 C ATOM 20 C VAL A 2 0.976 -18.115 -7.124 1.00 2.36 C ATOM 21 O VAL A 2 1.835 -17.314 -7.486 1.00 3.41 O ATOM 22 CB VAL A 2 1.333 -20.565 -6.504 1.00 3.29 C ATOM 23 CG1 VAL A 2 1.107 -22.002 -6.978 1.00 3.90 C ATOM 24 CG2 VAL A 2 2.764 -20.373 -5.994 1.00 4.44 C ATOM 0 H VAL A 2 2.838 -19.157 -8.551 1.00 3.26 H new ATOM 0 HA VAL A 2 0.009 -19.808 -7.972 1.00 2.68 H new ATOM 0 HB VAL A 2 0.653 -20.376 -5.673 1.00 3.29 H new ATOM 0 HG11 VAL A 2 1.345 -22.693 -6.170 1.00 3.90 H new ATOM 0 HG12 VAL A 2 0.064 -22.129 -7.270 1.00 3.90 H new ATOM 0 HG13 VAL A 2 1.751 -22.209 -7.833 1.00 3.90 H new ATOM 0 HG21 VAL A 2 2.969 -21.096 -5.205 1.00 4.44 H new ATOM 0 HG22 VAL A 2 3.466 -20.522 -6.815 1.00 4.44 H new ATOM 0 HG23 VAL A 2 2.877 -19.363 -5.599 1.00 4.44 H new ATOM 34 N ASN A 3 -0.024 -17.824 -6.305 1.00 1.40 N ATOM 35 CA ASN A 3 -0.159 -16.495 -5.732 1.00 1.10 C ATOM 36 C ASN A 3 -0.226 -16.607 -4.208 1.00 0.90 C ATOM 37 O ASN A 3 -1.306 -16.754 -3.639 1.00 0.94 O ATOM 38 CB ASN A 3 -1.443 -15.817 -6.213 1.00 1.06 C ATOM 39 CG ASN A 3 -1.348 -15.450 -7.695 1.00 1.60 C ATOM 40 OD1 ASN A 3 -0.389 -14.849 -8.152 1.00 2.88 O ATOM 41 ND2 ASN A 3 -2.392 -15.843 -8.418 1.00 1.38 N ATOM 0 H ASN A 3 -0.748 -18.485 -6.025 1.00 1.40 H new ATOM 0 HA ASN A 3 0.701 -15.903 -6.045 1.00 1.10 H new ATOM 0 HB2 ASN A 3 -2.291 -16.482 -6.053 1.00 1.06 H new ATOM 0 HB3 ASN A 3 -1.627 -14.919 -5.623 1.00 1.06 H new ATOM 0 HD21 ASN A 3 -2.423 -15.645 -9.418 1.00 1.38 H new ATOM 0 HD22 ASN A 3 -3.162 -16.342 -7.973 1.00 1.38 H new ATOM 48 N PRO A 4 0.974 -16.529 -3.573 1.00 1.14 N ATOM 49 CA PRO A 4 1.065 -16.644 -2.128 1.00 1.21 C ATOM 50 C PRO A 4 0.581 -15.364 -1.443 1.00 0.96 C ATOM 51 O PRO A 4 0.752 -14.269 -1.977 1.00 1.34 O ATOM 52 CB PRO A 4 2.527 -16.951 -1.849 1.00 1.84 C ATOM 53 CG PRO A 4 3.286 -16.539 -3.100 1.00 2.09 C ATOM 54 CD PRO A 4 2.272 -16.331 -4.212 1.00 1.67 C ATOM 0 HA PRO A 4 0.423 -17.429 -1.728 1.00 1.21 H new ATOM 0 HB2 PRO A 4 2.882 -16.401 -0.978 1.00 1.84 H new ATOM 0 HB3 PRO A 4 2.670 -18.011 -1.637 1.00 1.84 H new ATOM 0 HG2 PRO A 4 3.849 -15.623 -2.921 1.00 2.09 H new ATOM 0 HG3 PRO A 4 4.007 -17.307 -3.380 1.00 2.09 H new ATOM 0 HD2 PRO A 4 2.354 -15.332 -4.641 1.00 1.67 H new ATOM 0 HD3 PRO A 4 2.425 -17.040 -5.025 1.00 1.67 H new ATOM 62 N THR A 5 -0.011 -15.544 -0.273 1.00 0.92 N ATOM 63 CA THR A 5 -0.635 -14.435 0.429 1.00 0.66 C ATOM 64 C THR A 5 0.291 -13.912 1.530 1.00 0.66 C ATOM 65 O THR A 5 1.136 -14.649 2.035 1.00 0.79 O ATOM 66 CB THR A 5 -1.993 -14.908 0.951 1.00 0.73 C ATOM 67 OG1 THR A 5 -2.665 -15.383 -0.213 1.00 1.00 O ATOM 68 CG2 THR A 5 -2.867 -13.752 1.442 1.00 1.00 C ATOM 0 H THR A 5 -0.072 -16.442 0.208 1.00 0.92 H new ATOM 0 HA THR A 5 -0.805 -13.590 -0.239 1.00 0.66 H new ATOM 0 HB THR A 5 -1.843 -15.618 1.764 1.00 0.73 H new ATOM 0 HG1 THR A 5 -3.555 -15.711 0.034 1.00 1.00 H new ATOM 0 HG21 THR A 5 -3.819 -14.143 1.802 1.00 1.00 H new ATOM 0 HG22 THR A 5 -2.359 -13.231 2.253 1.00 1.00 H new ATOM 0 HG23 THR A 5 -3.047 -13.058 0.621 1.00 1.00 H new ATOM 76 N VAL A 6 0.099 -12.646 1.868 1.00 0.59 N ATOM 77 CA VAL A 6 0.870 -12.032 2.936 1.00 0.64 C ATOM 78 C VAL A 6 -0.077 -11.588 4.053 1.00 0.73 C ATOM 79 O VAL A 6 -1.287 -11.504 3.849 1.00 0.88 O ATOM 80 CB VAL A 6 1.714 -10.884 2.378 1.00 0.73 C ATOM 81 CG1 VAL A 6 2.603 -11.367 1.229 1.00 1.09 C ATOM 82 CG2 VAL A 6 0.830 -9.718 1.933 1.00 1.33 C ATOM 0 H VAL A 6 -0.579 -12.028 1.422 1.00 0.59 H new ATOM 0 HA VAL A 6 1.566 -12.752 3.366 1.00 0.64 H new ATOM 0 HB VAL A 6 2.362 -10.526 3.178 1.00 0.73 H new ATOM 0 HG11 VAL A 6 3.193 -10.532 0.850 1.00 1.09 H new ATOM 0 HG12 VAL A 6 3.271 -12.149 1.590 1.00 1.09 H new ATOM 0 HG13 VAL A 6 1.979 -11.764 0.428 1.00 1.09 H new ATOM 0 HG21 VAL A 6 1.456 -8.916 1.541 1.00 1.33 H new ATOM 0 HG22 VAL A 6 0.145 -10.057 1.156 1.00 1.33 H new ATOM 0 HG23 VAL A 6 0.259 -9.349 2.785 1.00 1.33 H new ATOM 92 N PHE A 7 0.510 -11.316 5.209 1.00 0.76 N ATOM 93 CA PHE A 7 -0.260 -10.835 6.344 1.00 0.87 C ATOM 94 C PHE A 7 0.407 -9.615 6.982 1.00 0.73 C ATOM 95 O PHE A 7 1.624 -9.454 6.898 1.00 0.70 O ATOM 96 CB PHE A 7 -0.305 -11.971 7.367 1.00 1.12 C ATOM 97 CG PHE A 7 1.023 -12.212 8.088 1.00 0.93 C ATOM 98 CD1 PHE A 7 1.930 -13.084 7.571 1.00 2.00 C ATOM 99 CD2 PHE A 7 1.297 -11.554 9.246 1.00 1.78 C ATOM 100 CE1 PHE A 7 3.162 -13.307 8.239 1.00 2.29 C ATOM 101 CE2 PHE A 7 2.530 -11.778 9.916 1.00 2.09 C ATOM 102 CZ PHE A 7 3.436 -12.649 9.398 1.00 1.82 C ATOM 0 H PHE A 7 1.509 -11.419 5.384 1.00 0.76 H new ATOM 0 HA PHE A 7 -1.258 -10.541 6.019 1.00 0.87 H new ATOM 0 HB2 PHE A 7 -1.074 -11.749 8.107 1.00 1.12 H new ATOM 0 HB3 PHE A 7 -0.604 -12.889 6.862 1.00 1.12 H new ATOM 0 HD1 PHE A 7 1.712 -13.607 6.651 1.00 2.00 H new ATOM 0 HD2 PHE A 7 0.577 -10.861 9.657 1.00 1.78 H new ATOM 0 HE1 PHE A 7 3.882 -13.999 7.828 1.00 2.29 H new ATOM 0 HE2 PHE A 7 2.747 -11.256 10.836 1.00 2.09 H new ATOM 0 HZ PHE A 7 4.374 -12.819 9.907 1.00 1.82 H new ATOM 112 N PHE A 8 -0.418 -8.788 7.607 1.00 0.84 N ATOM 113 CA PHE A 8 0.058 -7.532 8.159 1.00 0.78 C ATOM 114 C PHE A 8 -0.784 -7.108 9.363 1.00 0.71 C ATOM 115 O PHE A 8 -1.969 -6.810 9.223 1.00 0.74 O ATOM 116 CB PHE A 8 -0.080 -6.478 7.059 1.00 1.11 C ATOM 117 CG PHE A 8 -0.195 -5.044 7.581 1.00 2.22 C ATOM 118 CD1 PHE A 8 0.484 -4.672 8.699 1.00 3.62 C ATOM 119 CD2 PHE A 8 -0.973 -4.143 6.926 1.00 3.44 C ATOM 120 CE1 PHE A 8 0.378 -3.341 9.184 1.00 5.38 C ATOM 121 CE2 PHE A 8 -1.080 -2.812 7.411 1.00 5.15 C ATOM 122 CZ PHE A 8 -0.402 -2.439 8.530 1.00 5.90 C ATOM 0 H PHE A 8 -1.413 -8.964 7.743 1.00 0.84 H new ATOM 0 HA PHE A 8 1.090 -7.640 8.491 1.00 0.78 H new ATOM 0 HB2 PHE A 8 0.783 -6.544 6.396 1.00 1.11 H new ATOM 0 HB3 PHE A 8 -0.961 -6.707 6.459 1.00 1.11 H new ATOM 0 HD1 PHE A 8 1.104 -5.388 9.218 1.00 3.62 H new ATOM 0 HD2 PHE A 8 -1.510 -4.439 6.037 1.00 3.44 H new ATOM 0 HE1 PHE A 8 0.917 -3.045 10.072 1.00 5.38 H new ATOM 0 HE2 PHE A 8 -1.700 -2.096 6.891 1.00 5.15 H new ATOM 0 HZ PHE A 8 -0.483 -1.427 8.899 1.00 5.90 H new ATOM 132 N ASP A 9 -0.140 -7.095 10.521 1.00 0.79 N ATOM 133 CA ASP A 9 -0.841 -6.822 11.765 1.00 0.84 C ATOM 134 C ASP A 9 -0.784 -5.322 12.059 1.00 0.88 C ATOM 135 O ASP A 9 0.276 -4.706 11.959 1.00 0.91 O ATOM 136 CB ASP A 9 -0.189 -7.559 12.936 1.00 0.89 C ATOM 137 CG ASP A 9 -1.154 -8.004 14.038 1.00 1.59 C ATOM 138 OD1 ASP A 9 -2.154 -7.283 14.240 1.00 2.33 O ATOM 139 OD2 ASP A 9 -0.868 -9.055 14.651 1.00 2.55 O ATOM 0 H ASP A 9 0.860 -7.269 10.624 1.00 0.79 H new ATOM 0 HA ASP A 9 -1.871 -7.161 11.654 1.00 0.84 H new ATOM 0 HB2 ASP A 9 0.328 -8.437 12.550 1.00 0.89 H new ATOM 0 HB3 ASP A 9 0.569 -6.911 13.377 1.00 0.89 H new ATOM 144 N ILE A 10 -1.937 -4.778 12.417 1.00 0.93 N ATOM 145 CA ILE A 10 -2.041 -3.354 12.687 1.00 0.99 C ATOM 146 C ILE A 10 -1.965 -3.120 14.198 1.00 0.97 C ATOM 147 O ILE A 10 -2.490 -3.910 14.979 1.00 1.13 O ATOM 148 CB ILE A 10 -3.300 -2.775 12.039 1.00 1.19 C ATOM 149 CG1 ILE A 10 -3.103 -2.583 10.534 1.00 1.11 C ATOM 150 CG2 ILE A 10 -3.727 -1.479 12.730 1.00 1.65 C ATOM 151 CD1 ILE A 10 -2.835 -3.921 9.841 1.00 1.72 C ATOM 0 H ILE A 10 -2.808 -5.298 12.527 1.00 0.93 H new ATOM 0 HA ILE A 10 -1.205 -2.819 12.237 1.00 0.99 H new ATOM 0 HB ILE A 10 -4.111 -3.492 12.170 1.00 1.19 H new ATOM 0 HG12 ILE A 10 -3.990 -2.118 10.104 1.00 1.11 H new ATOM 0 HG13 ILE A 10 -2.269 -1.904 10.356 1.00 1.11 H new ATOM 0 HG21 ILE A 10 -4.624 -1.089 12.249 1.00 1.65 H new ATOM 0 HG22 ILE A 10 -3.936 -1.679 13.781 1.00 1.65 H new ATOM 0 HG23 ILE A 10 -2.926 -0.744 12.653 1.00 1.65 H new ATOM 0 HD11 ILE A 10 -2.699 -3.756 8.772 1.00 1.72 H new ATOM 0 HD12 ILE A 10 -1.934 -4.372 10.257 1.00 1.72 H new ATOM 0 HD13 ILE A 10 -3.681 -4.589 10.000 1.00 1.72 H new ATOM 163 N ALA A 11 -1.305 -2.030 14.562 1.00 0.90 N ATOM 164 CA ALA A 11 -1.255 -1.616 15.954 1.00 0.91 C ATOM 165 C ALA A 11 -1.356 -0.092 16.033 1.00 0.84 C ATOM 166 O ALA A 11 -0.414 0.615 15.674 1.00 0.99 O ATOM 167 CB ALA A 11 0.024 -2.150 16.601 1.00 1.04 C ATOM 0 H ALA A 11 -0.801 -1.421 13.917 1.00 0.90 H new ATOM 0 HA ALA A 11 -2.097 -2.031 16.507 1.00 0.91 H new ATOM 0 HB1 ALA A 11 0.061 -1.839 17.645 1.00 1.04 H new ATOM 0 HB2 ALA A 11 0.032 -3.239 16.546 1.00 1.04 H new ATOM 0 HB3 ALA A 11 0.892 -1.753 16.074 1.00 1.04 H new ATOM 173 N VAL A 12 -2.504 0.371 16.505 1.00 0.75 N ATOM 174 CA VAL A 12 -2.751 1.800 16.604 1.00 0.76 C ATOM 175 C VAL A 12 -2.500 2.257 18.042 1.00 0.84 C ATOM 176 O VAL A 12 -3.343 2.061 18.916 1.00 0.93 O ATOM 177 CB VAL A 12 -4.163 2.122 16.112 1.00 0.82 C ATOM 178 CG1 VAL A 12 -4.443 3.624 16.195 1.00 0.99 C ATOM 179 CG2 VAL A 12 -4.380 1.601 14.689 1.00 0.80 C ATOM 0 H VAL A 12 -3.274 -0.218 16.823 1.00 0.75 H new ATOM 0 HA VAL A 12 -2.064 2.352 15.963 1.00 0.76 H new ATOM 0 HB VAL A 12 -4.870 1.613 16.766 1.00 0.82 H new ATOM 0 HG11 VAL A 12 -5.453 3.826 15.839 1.00 0.99 H new ATOM 0 HG12 VAL A 12 -4.349 3.955 17.229 1.00 0.99 H new ATOM 0 HG13 VAL A 12 -3.726 4.163 15.575 1.00 0.99 H new ATOM 0 HG21 VAL A 12 -5.392 1.843 14.363 1.00 0.80 H new ATOM 0 HG22 VAL A 12 -3.661 2.069 14.017 1.00 0.80 H new ATOM 0 HG23 VAL A 12 -4.242 0.520 14.672 1.00 0.80 H new ATOM 189 N ASP A 13 -1.337 2.857 18.243 1.00 0.87 N ATOM 190 CA ASP A 13 -0.934 3.282 19.574 1.00 0.98 C ATOM 191 C ASP A 13 -1.259 2.175 20.578 1.00 1.13 C ATOM 192 O ASP A 13 -2.303 2.206 21.228 1.00 1.22 O ATOM 193 CB ASP A 13 -1.688 4.543 20.002 1.00 0.99 C ATOM 194 CG ASP A 13 -2.930 4.868 19.169 1.00 1.67 C ATOM 195 OD1 ASP A 13 -2.743 5.239 17.990 1.00 2.20 O ATOM 196 OD2 ASP A 13 -4.039 4.736 19.731 1.00 3.13 O ATOM 0 H ASP A 13 -0.660 3.059 17.507 1.00 0.87 H new ATOM 0 HA ASP A 13 0.136 3.491 19.551 1.00 0.98 H new ATOM 0 HB2 ASP A 13 -1.987 4.433 21.045 1.00 0.99 H new ATOM 0 HB3 ASP A 13 -1.005 5.391 19.954 1.00 0.99 H new ATOM 201 N GLY A 14 -0.344 1.219 20.673 1.00 1.28 N ATOM 202 CA GLY A 14 -0.456 0.175 21.677 1.00 1.54 C ATOM 203 C GLY A 14 -1.874 -0.399 21.716 1.00 1.57 C ATOM 204 O GLY A 14 -2.390 -0.712 22.788 1.00 1.76 O ATOM 0 H GLY A 14 0.477 1.147 20.071 1.00 1.28 H new ATOM 0 HA2 GLY A 14 0.256 -0.621 21.460 1.00 1.54 H new ATOM 0 HA3 GLY A 14 -0.196 0.578 22.656 1.00 1.54 H new ATOM 208 N GLU A 15 -2.462 -0.518 20.536 1.00 1.42 N ATOM 209 CA GLU A 15 -3.778 -1.122 20.413 1.00 1.51 C ATOM 210 C GLU A 15 -3.901 -1.860 19.079 1.00 1.36 C ATOM 211 O GLU A 15 -4.118 -1.240 18.039 1.00 1.36 O ATOM 212 CB GLU A 15 -4.880 -0.071 20.562 1.00 1.53 C ATOM 213 CG GLU A 15 -6.238 -0.732 20.806 1.00 1.83 C ATOM 214 CD GLU A 15 -6.326 -1.296 22.226 1.00 1.91 C ATOM 215 OE1 GLU A 15 -6.683 -0.507 23.128 1.00 3.04 O ATOM 216 OE2 GLU A 15 -6.036 -2.502 22.376 1.00 2.54 O ATOM 0 H GLU A 15 -2.052 -0.206 19.656 1.00 1.42 H new ATOM 0 HA GLU A 15 -3.901 -1.846 21.219 1.00 1.51 H new ATOM 0 HB2 GLU A 15 -4.642 0.596 21.391 1.00 1.53 H new ATOM 0 HB3 GLU A 15 -4.926 0.543 19.662 1.00 1.53 H new ATOM 0 HG2 GLU A 15 -7.034 -0.004 20.650 1.00 1.83 H new ATOM 0 HG3 GLU A 15 -6.392 -1.533 20.083 1.00 1.83 H new ATOM 223 N PRO A 16 -3.752 -3.210 19.153 1.00 1.25 N ATOM 224 CA PRO A 16 -3.848 -4.040 17.963 1.00 1.13 C ATOM 225 C PRO A 16 -5.303 -4.190 17.515 1.00 1.09 C ATOM 226 O PRO A 16 -6.117 -4.776 18.226 1.00 1.10 O ATOM 227 CB PRO A 16 -3.207 -5.362 18.353 1.00 1.08 C ATOM 228 CG PRO A 16 -3.196 -5.387 19.873 1.00 1.16 C ATOM 229 CD PRO A 16 -3.490 -3.980 20.365 1.00 1.27 C ATOM 0 HA PRO A 16 -3.339 -3.604 17.104 1.00 1.13 H new ATOM 0 HB2 PRO A 16 -3.772 -6.203 17.953 1.00 1.08 H new ATOM 0 HB3 PRO A 16 -2.196 -5.439 17.954 1.00 1.08 H new ATOM 0 HG2 PRO A 16 -3.943 -6.086 20.249 1.00 1.16 H new ATOM 0 HG3 PRO A 16 -2.228 -5.726 20.242 1.00 1.16 H new ATOM 0 HD2 PRO A 16 -4.349 -3.967 21.036 1.00 1.27 H new ATOM 0 HD3 PRO A 16 -2.646 -3.570 20.920 1.00 1.27 H new ATOM 237 N LEU A 17 -5.584 -3.652 16.338 1.00 1.10 N ATOM 238 CA LEU A 17 -6.919 -3.747 15.771 1.00 1.14 C ATOM 239 C LEU A 17 -7.150 -5.170 15.258 1.00 1.00 C ATOM 240 O LEU A 17 -8.239 -5.720 15.412 1.00 1.06 O ATOM 241 CB LEU A 17 -7.128 -2.669 14.706 1.00 1.27 C ATOM 242 CG LEU A 17 -7.634 -1.317 15.211 1.00 0.98 C ATOM 243 CD1 LEU A 17 -9.056 -1.436 15.765 1.00 1.16 C ATOM 244 CD2 LEU A 17 -6.669 -0.717 16.235 1.00 2.19 C ATOM 0 H LEU A 17 -4.910 -3.149 15.761 1.00 1.10 H new ATOM 0 HA LEU A 17 -7.672 -3.556 16.536 1.00 1.14 H new ATOM 0 HB2 LEU A 17 -6.182 -2.510 14.188 1.00 1.27 H new ATOM 0 HB3 LEU A 17 -7.836 -3.047 13.969 1.00 1.27 H new ATOM 0 HG LEU A 17 -7.674 -0.630 14.365 1.00 0.98 H new ATOM 0 HD11 LEU A 17 -9.392 -0.461 16.117 1.00 1.16 H new ATOM 0 HD12 LEU A 17 -9.724 -1.788 14.979 1.00 1.16 H new ATOM 0 HD13 LEU A 17 -9.066 -2.144 16.593 1.00 1.16 H new ATOM 0 HD21 LEU A 17 -7.053 0.244 16.577 1.00 2.19 H new ATOM 0 HD22 LEU A 17 -6.573 -1.393 17.085 1.00 2.19 H new ATOM 0 HD23 LEU A 17 -5.692 -0.574 15.774 1.00 2.19 H new ATOM 256 N GLY A 18 -6.106 -5.725 14.659 1.00 0.89 N ATOM 257 CA GLY A 18 -6.174 -7.083 14.143 1.00 0.88 C ATOM 258 C GLY A 18 -5.283 -7.245 12.910 1.00 0.78 C ATOM 259 O GLY A 18 -4.406 -6.420 12.660 1.00 0.78 O ATOM 0 H GLY A 18 -5.209 -5.260 14.519 1.00 0.89 H new ATOM 0 HA2 GLY A 18 -5.863 -7.786 14.916 1.00 0.88 H new ATOM 0 HA3 GLY A 18 -7.205 -7.327 13.886 1.00 0.88 H new ATOM 263 N ARG A 19 -5.539 -8.316 12.172 1.00 0.83 N ATOM 264 CA ARG A 19 -4.659 -8.700 11.082 1.00 0.82 C ATOM 265 C ARG A 19 -5.345 -8.454 9.735 1.00 0.70 C ATOM 266 O ARG A 19 -6.553 -8.645 9.606 1.00 0.77 O ATOM 267 CB ARG A 19 -4.266 -10.175 11.184 1.00 0.96 C ATOM 268 CG ARG A 19 -2.869 -10.411 10.609 1.00 1.17 C ATOM 269 CD ARG A 19 -2.407 -11.848 10.862 1.00 2.05 C ATOM 270 NE ARG A 19 -2.443 -12.144 12.311 1.00 2.65 N ATOM 271 CZ ARG A 19 -1.731 -11.477 13.232 1.00 3.25 C ATOM 272 NH1 ARG A 19 -0.532 -10.971 12.913 1.00 3.79 N ATOM 273 NH2 ARG A 19 -2.219 -11.318 14.469 1.00 4.39 N ATOM 0 H ARG A 19 -6.343 -8.929 12.308 1.00 0.83 H new ATOM 0 HA ARG A 19 -3.758 -8.090 11.153 1.00 0.82 H new ATOM 0 HB2 ARG A 19 -4.292 -10.491 12.227 1.00 0.96 H new ATOM 0 HB3 ARG A 19 -4.992 -10.786 10.648 1.00 0.96 H new ATOM 0 HG2 ARG A 19 -2.874 -10.210 9.538 1.00 1.17 H new ATOM 0 HG3 ARG A 19 -2.163 -9.714 11.061 1.00 1.17 H new ATOM 0 HD2 ARG A 19 -3.049 -12.545 10.324 1.00 2.05 H new ATOM 0 HD3 ARG A 19 -1.396 -11.986 10.479 1.00 2.05 H new ATOM 0 HE ARG A 19 -3.046 -12.902 12.630 1.00 2.65 H new ATOM 0 HH11 ARG A 19 -0.161 -11.093 11.971 1.00 3.79 H new ATOM 0 HH12 ARG A 19 0.010 -10.464 13.613 1.00 3.79 H new ATOM 0 HH21 ARG A 19 -3.132 -11.704 14.711 1.00 4.39 H new ATOM 0 HH22 ARG A 19 -1.678 -10.811 15.169 1.00 4.39 H new ATOM 287 N VAL A 20 -4.543 -8.034 8.767 1.00 0.74 N ATOM 288 CA VAL A 20 -5.029 -7.879 7.407 1.00 0.75 C ATOM 289 C VAL A 20 -4.125 -8.664 6.454 1.00 0.89 C ATOM 290 O VAL A 20 -2.912 -8.720 6.650 1.00 2.01 O ATOM 291 CB VAL A 20 -5.128 -6.395 7.052 1.00 0.80 C ATOM 292 CG1 VAL A 20 -5.787 -6.200 5.686 1.00 0.84 C ATOM 293 CG2 VAL A 20 -5.876 -5.620 8.138 1.00 1.01 C ATOM 0 H VAL A 20 -3.560 -7.796 8.898 1.00 0.74 H new ATOM 0 HA VAL A 20 -6.035 -8.289 7.312 1.00 0.75 H new ATOM 0 HB VAL A 20 -4.115 -5.997 6.994 1.00 0.80 H new ATOM 0 HG11 VAL A 20 -5.845 -5.136 5.459 1.00 0.84 H new ATOM 0 HG12 VAL A 20 -5.195 -6.703 4.921 1.00 0.84 H new ATOM 0 HG13 VAL A 20 -6.792 -6.622 5.703 1.00 0.84 H new ATOM 0 HG21 VAL A 20 -5.932 -4.567 7.861 1.00 1.01 H new ATOM 0 HG22 VAL A 20 -6.884 -6.022 8.243 1.00 1.01 H new ATOM 0 HG23 VAL A 20 -5.346 -5.718 9.085 1.00 1.01 H new ATOM 303 N SER A 21 -4.750 -9.249 5.444 1.00 0.71 N ATOM 304 CA SER A 21 -4.021 -10.052 4.477 1.00 0.59 C ATOM 305 C SER A 21 -4.306 -9.552 3.059 1.00 0.52 C ATOM 306 O SER A 21 -5.362 -8.978 2.800 1.00 0.57 O ATOM 307 CB SER A 21 -4.389 -11.532 4.601 1.00 0.75 C ATOM 308 OG SER A 21 -5.793 -11.745 4.484 1.00 1.88 O ATOM 0 H SER A 21 -5.754 -9.183 5.274 1.00 0.71 H new ATOM 0 HA SER A 21 -2.956 -9.951 4.684 1.00 0.59 H new ATOM 0 HB2 SER A 21 -3.871 -12.100 3.829 1.00 0.75 H new ATOM 0 HB3 SER A 21 -4.044 -11.912 5.562 1.00 0.75 H new ATOM 0 HG SER A 21 -6.231 -10.905 4.233 1.00 1.88 H new ATOM 314 N PHE A 22 -3.345 -9.788 2.178 1.00 0.48 N ATOM 315 CA PHE A 22 -3.457 -9.324 0.806 1.00 0.47 C ATOM 316 C PHE A 22 -2.976 -10.395 -0.176 1.00 0.50 C ATOM 317 O PHE A 22 -1.917 -10.989 0.019 1.00 0.74 O ATOM 318 CB PHE A 22 -2.562 -8.090 0.676 1.00 0.53 C ATOM 319 CG PHE A 22 -2.891 -6.975 1.671 1.00 0.56 C ATOM 320 CD1 PHE A 22 -2.464 -7.067 2.960 1.00 1.64 C ATOM 321 CD2 PHE A 22 -3.609 -5.893 1.267 1.00 1.55 C ATOM 322 CE1 PHE A 22 -2.769 -6.032 3.883 1.00 1.69 C ATOM 323 CE2 PHE A 22 -3.914 -4.858 2.191 1.00 1.61 C ATOM 324 CZ PHE A 22 -3.488 -4.950 3.479 1.00 0.81 C ATOM 0 H PHE A 22 -2.485 -10.295 2.388 1.00 0.48 H new ATOM 0 HA PHE A 22 -4.498 -9.097 0.574 1.00 0.47 H new ATOM 0 HB2 PHE A 22 -1.523 -8.391 0.814 1.00 0.53 H new ATOM 0 HB3 PHE A 22 -2.648 -7.696 -0.337 1.00 0.53 H new ATOM 0 HD1 PHE A 22 -1.894 -7.926 3.281 1.00 1.64 H new ATOM 0 HD2 PHE A 22 -3.947 -5.821 0.244 1.00 1.55 H new ATOM 0 HE1 PHE A 22 -2.430 -6.104 4.906 1.00 1.69 H new ATOM 0 HE2 PHE A 22 -4.484 -3.998 1.871 1.00 1.61 H new ATOM 0 HZ PHE A 22 -3.721 -4.164 4.182 1.00 0.81 H new ATOM 334 N GLU A 23 -3.777 -10.607 -1.209 1.00 0.43 N ATOM 335 CA GLU A 23 -3.382 -11.492 -2.292 1.00 0.53 C ATOM 336 C GLU A 23 -2.403 -10.782 -3.228 1.00 0.76 C ATOM 337 O GLU A 23 -2.553 -9.592 -3.503 1.00 1.72 O ATOM 338 CB GLU A 23 -4.606 -11.997 -3.060 1.00 0.83 C ATOM 339 CG GLU A 23 -5.697 -12.476 -2.101 1.00 1.20 C ATOM 340 CD GLU A 23 -6.544 -13.578 -2.741 1.00 1.53 C ATOM 341 OE1 GLU A 23 -7.421 -13.218 -3.555 1.00 1.95 O ATOM 342 OE2 GLU A 23 -6.295 -14.755 -2.401 1.00 2.88 O ATOM 0 H GLU A 23 -4.697 -10.182 -1.320 1.00 0.43 H new ATOM 0 HA GLU A 23 -2.879 -12.358 -1.862 1.00 0.53 H new ATOM 0 HB2 GLU A 23 -4.997 -11.200 -3.692 1.00 0.83 H new ATOM 0 HB3 GLU A 23 -4.314 -12.813 -3.721 1.00 0.83 H new ATOM 0 HG2 GLU A 23 -5.242 -12.849 -1.183 1.00 1.20 H new ATOM 0 HG3 GLU A 23 -6.335 -11.637 -1.822 1.00 1.20 H new ATOM 349 N LEU A 24 -1.421 -11.541 -3.691 1.00 0.75 N ATOM 350 CA LEU A 24 -0.404 -10.995 -4.574 1.00 0.90 C ATOM 351 C LEU A 24 -0.492 -11.686 -5.936 1.00 0.96 C ATOM 352 O LEU A 24 -0.201 -12.876 -6.052 1.00 1.29 O ATOM 353 CB LEU A 24 0.978 -11.088 -3.925 1.00 1.07 C ATOM 354 CG LEU A 24 1.512 -9.801 -3.296 1.00 1.05 C ATOM 355 CD1 LEU A 24 1.555 -8.666 -4.322 1.00 2.04 C ATOM 356 CD2 LEU A 24 0.705 -9.420 -2.054 1.00 1.88 C ATOM 0 H LEU A 24 -1.308 -12.531 -3.471 1.00 0.75 H new ATOM 0 HA LEU A 24 -0.579 -9.933 -4.743 1.00 0.90 H new ATOM 0 HB2 LEU A 24 0.944 -11.858 -3.155 1.00 1.07 H new ATOM 0 HB3 LEU A 24 1.690 -11.422 -4.680 1.00 1.07 H new ATOM 0 HG LEU A 24 2.537 -9.981 -2.970 1.00 1.05 H new ATOM 0 HD11 LEU A 24 1.939 -7.762 -3.849 1.00 2.04 H new ATOM 0 HD12 LEU A 24 2.207 -8.947 -5.149 1.00 2.04 H new ATOM 0 HD13 LEU A 24 0.550 -8.479 -4.700 1.00 2.04 H new ATOM 0 HD21 LEU A 24 1.107 -8.501 -1.627 1.00 1.88 H new ATOM 0 HD22 LEU A 24 -0.338 -9.266 -2.331 1.00 1.88 H new ATOM 0 HD23 LEU A 24 0.770 -10.221 -1.318 1.00 1.88 H new ATOM 368 N PHE A 25 -0.897 -10.912 -6.932 1.00 0.82 N ATOM 369 CA PHE A 25 -1.043 -11.440 -8.279 1.00 0.84 C ATOM 370 C PHE A 25 0.316 -11.562 -8.971 1.00 0.89 C ATOM 371 O PHE A 25 0.618 -10.804 -9.891 1.00 1.06 O ATOM 372 CB PHE A 25 -1.911 -10.448 -9.056 1.00 0.96 C ATOM 373 CG PHE A 25 -3.346 -10.338 -8.537 1.00 0.94 C ATOM 374 CD1 PHE A 25 -4.070 -11.463 -8.296 1.00 1.80 C ATOM 375 CD2 PHE A 25 -3.898 -9.114 -8.318 1.00 2.30 C ATOM 376 CE1 PHE A 25 -5.402 -11.361 -7.815 1.00 1.80 C ATOM 377 CE2 PHE A 25 -5.230 -9.011 -7.837 1.00 2.39 C ATOM 378 CZ PHE A 25 -5.954 -10.137 -7.596 1.00 1.14 C ATOM 0 H PHE A 25 -1.129 -9.924 -6.834 1.00 0.82 H new ATOM 0 HA PHE A 25 -1.492 -12.433 -8.243 1.00 0.84 H new ATOM 0 HB2 PHE A 25 -1.445 -9.464 -9.016 1.00 0.96 H new ATOM 0 HB3 PHE A 25 -1.936 -10.746 -10.104 1.00 0.96 H new ATOM 0 HD1 PHE A 25 -3.632 -12.435 -8.470 1.00 1.80 H new ATOM 0 HD2 PHE A 25 -3.323 -8.220 -8.510 1.00 2.30 H new ATOM 0 HE1 PHE A 25 -5.977 -12.255 -7.623 1.00 1.80 H new ATOM 0 HE2 PHE A 25 -5.668 -8.039 -7.663 1.00 2.39 H new ATOM 0 HZ PHE A 25 -6.967 -10.059 -7.231 1.00 1.14 H new ATOM 388 N ALA A 26 1.099 -12.523 -8.501 1.00 0.79 N ATOM 389 CA ALA A 26 2.446 -12.707 -9.014 1.00 0.88 C ATOM 390 C ALA A 26 2.377 -13.378 -10.387 1.00 0.98 C ATOM 391 O ALA A 26 3.327 -13.307 -11.165 1.00 1.16 O ATOM 392 CB ALA A 26 3.268 -13.517 -8.009 1.00 0.91 C ATOM 0 H ALA A 26 0.826 -13.182 -7.771 1.00 0.79 H new ATOM 0 HA ALA A 26 2.943 -11.745 -9.142 1.00 0.88 H new ATOM 0 HB1 ALA A 26 4.279 -13.655 -8.393 1.00 0.91 H new ATOM 0 HB2 ALA A 26 3.311 -12.983 -7.060 1.00 0.91 H new ATOM 0 HB3 ALA A 26 2.801 -14.490 -7.857 1.00 0.91 H new ATOM 398 N ASP A 27 1.244 -14.015 -10.643 1.00 1.00 N ATOM 399 CA ASP A 27 1.084 -14.800 -11.855 1.00 1.16 C ATOM 400 C ASP A 27 0.450 -13.929 -12.942 1.00 0.96 C ATOM 401 O ASP A 27 -0.450 -14.375 -13.653 1.00 1.72 O ATOM 402 CB ASP A 27 0.166 -16.000 -11.616 1.00 1.72 C ATOM 403 CG ASP A 27 0.081 -16.991 -12.778 1.00 2.22 C ATOM 404 OD1 ASP A 27 1.103 -17.124 -13.487 1.00 3.55 O ATOM 405 OD2 ASP A 27 -1.003 -17.594 -12.932 1.00 2.25 O ATOM 0 H ASP A 27 0.428 -14.003 -10.032 1.00 1.00 H new ATOM 0 HA ASP A 27 2.069 -15.154 -12.160 1.00 1.16 H new ATOM 0 HB2 ASP A 27 0.512 -16.532 -10.729 1.00 1.72 H new ATOM 0 HB3 ASP A 27 -0.837 -15.633 -11.397 1.00 1.72 H new ATOM 410 N LYS A 28 0.944 -12.704 -13.036 1.00 1.38 N ATOM 411 CA LYS A 28 0.495 -11.795 -14.077 1.00 1.28 C ATOM 412 C LYS A 28 1.273 -10.481 -13.970 1.00 0.98 C ATOM 413 O LYS A 28 1.622 -9.878 -14.984 1.00 1.06 O ATOM 414 CB LYS A 28 -1.023 -11.616 -14.016 1.00 1.47 C ATOM 415 CG LYS A 28 -1.497 -11.452 -12.570 1.00 2.26 C ATOM 416 CD LYS A 28 -2.668 -12.391 -12.268 1.00 2.77 C ATOM 417 CE LYS A 28 -3.936 -11.936 -12.993 1.00 2.39 C ATOM 418 NZ LYS A 28 -5.066 -12.838 -12.674 1.00 3.24 N ATOM 0 H LYS A 28 1.651 -12.319 -12.409 1.00 1.38 H new ATOM 0 HA LYS A 28 0.704 -12.212 -15.062 1.00 1.28 H new ATOM 0 HB2 LYS A 28 -1.314 -10.742 -14.599 1.00 1.47 H new ATOM 0 HB3 LYS A 28 -1.513 -12.478 -14.468 1.00 1.47 H new ATOM 0 HG2 LYS A 28 -0.673 -11.661 -11.887 1.00 2.26 H new ATOM 0 HG3 LYS A 28 -1.800 -10.419 -12.398 1.00 2.26 H new ATOM 0 HD2 LYS A 28 -2.414 -13.406 -12.575 1.00 2.77 H new ATOM 0 HD3 LYS A 28 -2.849 -12.419 -11.193 1.00 2.77 H new ATOM 0 HE2 LYS A 28 -4.183 -10.916 -12.700 1.00 2.39 H new ATOM 0 HE3 LYS A 28 -3.763 -11.926 -14.069 1.00 2.39 H new ATOM 0 HZ1 LYS A 28 -5.919 -12.516 -13.174 1.00 3.24 H new ATOM 0 HZ2 LYS A 28 -4.833 -13.806 -12.975 1.00 3.24 H new ATOM 0 HZ3 LYS A 28 -5.240 -12.827 -11.649 1.00 3.24 H new ATOM 432 N VAL A 29 1.523 -10.077 -12.734 1.00 0.80 N ATOM 433 CA VAL A 29 2.386 -8.935 -12.480 1.00 0.79 C ATOM 434 C VAL A 29 3.420 -9.311 -11.416 1.00 0.86 C ATOM 435 O VAL A 29 3.244 -9.004 -10.239 1.00 0.82 O ATOM 436 CB VAL A 29 1.544 -7.718 -12.092 1.00 0.73 C ATOM 437 CG1 VAL A 29 0.983 -7.022 -13.332 1.00 0.83 C ATOM 438 CG2 VAL A 29 0.422 -8.113 -11.129 1.00 0.80 C ATOM 0 H VAL A 29 1.143 -10.519 -11.897 1.00 0.80 H new ATOM 0 HA VAL A 29 2.932 -8.660 -13.382 1.00 0.79 H new ATOM 0 HB VAL A 29 2.194 -7.011 -11.577 1.00 0.73 H new ATOM 0 HG11 VAL A 29 0.388 -6.160 -13.028 1.00 0.83 H new ATOM 0 HG12 VAL A 29 1.805 -6.690 -13.966 1.00 0.83 H new ATOM 0 HG13 VAL A 29 0.355 -7.719 -13.887 1.00 0.83 H new ATOM 0 HG21 VAL A 29 -0.162 -7.230 -10.869 1.00 0.80 H new ATOM 0 HG22 VAL A 29 -0.226 -8.848 -11.607 1.00 0.80 H new ATOM 0 HG23 VAL A 29 0.853 -8.543 -10.225 1.00 0.80 H new ATOM 448 N PRO A 30 4.504 -9.987 -11.882 1.00 1.10 N ATOM 449 CA PRO A 30 5.714 -10.102 -11.086 1.00 1.51 C ATOM 450 C PRO A 30 6.494 -8.785 -11.081 1.00 1.76 C ATOM 451 O PRO A 30 6.096 -7.822 -11.733 1.00 3.29 O ATOM 452 CB PRO A 30 6.489 -11.250 -11.711 1.00 1.76 C ATOM 453 CG PRO A 30 5.914 -11.430 -13.107 1.00 1.51 C ATOM 454 CD PRO A 30 4.607 -10.658 -13.175 1.00 1.13 C ATOM 0 HA PRO A 30 5.509 -10.304 -10.035 1.00 1.51 H new ATOM 0 HB2 PRO A 30 7.555 -11.024 -11.754 1.00 1.76 H new ATOM 0 HB3 PRO A 30 6.379 -12.161 -11.123 1.00 1.76 H new ATOM 0 HG2 PRO A 30 6.614 -11.063 -13.858 1.00 1.51 H new ATOM 0 HG3 PRO A 30 5.745 -12.486 -13.317 1.00 1.51 H new ATOM 0 HD2 PRO A 30 4.614 -9.939 -13.994 1.00 1.13 H new ATOM 0 HD3 PRO A 30 3.762 -11.325 -13.343 1.00 1.13 H new ATOM 462 N LYS A 31 7.592 -8.788 -10.339 1.00 1.64 N ATOM 463 CA LYS A 31 8.422 -7.600 -10.227 1.00 1.61 C ATOM 464 C LYS A 31 7.747 -6.600 -9.285 1.00 1.43 C ATOM 465 O LYS A 31 8.298 -6.254 -8.242 1.00 1.54 O ATOM 466 CB LYS A 31 8.730 -7.029 -11.612 1.00 1.56 C ATOM 467 CG LYS A 31 10.041 -6.239 -11.600 1.00 2.65 C ATOM 468 CD LYS A 31 10.536 -5.978 -13.024 1.00 2.54 C ATOM 469 CE LYS A 31 9.605 -5.012 -13.759 1.00 3.50 C ATOM 470 NZ LYS A 31 8.879 -5.714 -14.841 1.00 3.97 N ATOM 0 H LYS A 31 7.926 -9.593 -9.810 1.00 1.64 H new ATOM 0 HA LYS A 31 9.388 -7.850 -9.789 1.00 1.61 H new ATOM 0 HB2 LYS A 31 8.797 -7.840 -12.337 1.00 1.56 H new ATOM 0 HB3 LYS A 31 7.914 -6.381 -11.932 1.00 1.56 H new ATOM 0 HG2 LYS A 31 9.894 -5.291 -11.083 1.00 2.65 H new ATOM 0 HG3 LYS A 31 10.798 -6.792 -11.043 1.00 2.65 H new ATOM 0 HD2 LYS A 31 11.544 -5.564 -12.992 1.00 2.54 H new ATOM 0 HD3 LYS A 31 10.595 -6.919 -13.571 1.00 2.54 H new ATOM 0 HE2 LYS A 31 8.893 -4.579 -13.057 1.00 3.50 H new ATOM 0 HE3 LYS A 31 10.183 -4.187 -14.176 1.00 3.50 H new ATOM 0 HZ1 LYS A 31 8.330 -5.026 -15.394 1.00 3.97 H new ATOM 0 HZ2 LYS A 31 9.561 -6.192 -15.463 1.00 3.97 H new ATOM 0 HZ3 LYS A 31 8.235 -6.418 -14.427 1.00 3.97 H new ATOM 484 N THR A 32 6.563 -6.161 -9.690 1.00 1.24 N ATOM 485 CA THR A 32 5.761 -5.290 -8.848 1.00 1.08 C ATOM 486 C THR A 32 5.345 -6.019 -7.569 1.00 0.96 C ATOM 487 O THR A 32 5.488 -5.484 -6.471 1.00 0.99 O ATOM 488 CB THR A 32 4.576 -4.792 -9.677 1.00 0.98 C ATOM 489 OG1 THR A 32 5.159 -4.399 -10.916 1.00 1.27 O ATOM 490 CG2 THR A 32 3.975 -3.499 -9.121 1.00 0.92 C ATOM 0 H THR A 32 6.141 -6.392 -10.589 1.00 1.24 H new ATOM 0 HA THR A 32 6.333 -4.423 -8.518 1.00 1.08 H new ATOM 0 HB THR A 32 3.808 -5.564 -9.712 1.00 0.98 H new ATOM 0 HG1 THR A 32 4.459 -4.064 -11.515 1.00 1.27 H new ATOM 0 HG21 THR A 32 3.138 -3.189 -9.746 1.00 0.92 H new ATOM 0 HG22 THR A 32 3.625 -3.669 -8.103 1.00 0.92 H new ATOM 0 HG23 THR A 32 4.734 -2.717 -9.117 1.00 0.92 H new ATOM 498 N ALA A 33 4.837 -7.229 -7.754 1.00 0.91 N ATOM 499 CA ALA A 33 4.483 -8.072 -6.626 1.00 0.84 C ATOM 500 C ALA A 33 5.732 -8.341 -5.784 1.00 0.87 C ATOM 501 O ALA A 33 5.671 -8.330 -4.556 1.00 0.89 O ATOM 502 CB ALA A 33 3.834 -9.361 -7.136 1.00 0.85 C ATOM 0 H ALA A 33 4.662 -7.645 -8.669 1.00 0.91 H new ATOM 0 HA ALA A 33 3.756 -7.572 -5.986 1.00 0.84 H new ATOM 0 HB1 ALA A 33 3.568 -9.994 -6.289 1.00 0.85 H new ATOM 0 HB2 ALA A 33 2.936 -9.116 -7.703 1.00 0.85 H new ATOM 0 HB3 ALA A 33 4.536 -9.892 -7.780 1.00 0.85 H new ATOM 508 N GLU A 34 6.835 -8.579 -6.479 1.00 0.92 N ATOM 509 CA GLU A 34 8.077 -8.932 -5.814 1.00 0.99 C ATOM 510 C GLU A 34 8.513 -7.809 -4.871 1.00 0.99 C ATOM 511 O GLU A 34 8.849 -8.059 -3.715 1.00 1.02 O ATOM 512 CB GLU A 34 9.173 -9.251 -6.832 1.00 1.12 C ATOM 513 CG GLU A 34 10.557 -9.198 -6.183 1.00 1.71 C ATOM 514 CD GLU A 34 10.662 -10.199 -5.030 1.00 2.60 C ATOM 515 OE1 GLU A 34 9.884 -11.178 -5.057 1.00 3.03 O ATOM 516 OE2 GLU A 34 11.515 -9.962 -4.148 1.00 3.86 O ATOM 0 H GLU A 34 6.894 -8.534 -7.496 1.00 0.92 H new ATOM 0 HA GLU A 34 7.906 -9.831 -5.221 1.00 0.99 H new ATOM 0 HB2 GLU A 34 9.004 -10.241 -7.255 1.00 1.12 H new ATOM 0 HB3 GLU A 34 9.127 -8.539 -7.656 1.00 1.12 H new ATOM 0 HG2 GLU A 34 11.321 -9.416 -6.929 1.00 1.71 H new ATOM 0 HG3 GLU A 34 10.751 -8.191 -5.814 1.00 1.71 H new ATOM 523 N ASN A 35 8.496 -6.595 -5.402 1.00 1.04 N ATOM 524 CA ASN A 35 8.930 -5.438 -4.638 1.00 1.13 C ATOM 525 C ASN A 35 8.207 -5.421 -3.290 1.00 1.17 C ATOM 526 O ASN A 35 8.844 -5.438 -2.239 1.00 1.69 O ATOM 527 CB ASN A 35 8.598 -4.137 -5.371 1.00 1.29 C ATOM 528 CG ASN A 35 9.189 -2.929 -4.642 1.00 2.23 C ATOM 529 OD1 ASN A 35 10.007 -3.053 -3.744 1.00 2.87 O ATOM 530 ND2 ASN A 35 8.732 -1.758 -5.075 1.00 3.11 N ATOM 0 H ASN A 35 8.188 -6.388 -6.352 1.00 1.04 H new ATOM 0 HA ASN A 35 10.009 -5.509 -4.503 1.00 1.13 H new ATOM 0 HB2 ASN A 35 8.988 -4.179 -6.388 1.00 1.29 H new ATOM 0 HB3 ASN A 35 7.517 -4.025 -5.449 1.00 1.29 H new ATOM 0 HD21 ASN A 35 9.066 -0.892 -4.652 1.00 3.11 H new ATOM 0 HD22 ASN A 35 8.048 -1.725 -5.831 1.00 3.11 H new ATOM 537 N PHE A 36 6.884 -5.385 -3.365 1.00 1.17 N ATOM 538 CA PHE A 36 6.068 -5.297 -2.166 1.00 1.20 C ATOM 539 C PHE A 36 6.276 -6.521 -1.272 1.00 1.12 C ATOM 540 O PHE A 36 6.409 -6.390 -0.055 1.00 1.15 O ATOM 541 CB PHE A 36 4.608 -5.254 -2.621 1.00 1.31 C ATOM 542 CG PHE A 36 3.599 -5.254 -1.472 1.00 1.58 C ATOM 543 CD1 PHE A 36 3.871 -4.569 -0.328 1.00 2.62 C ATOM 544 CD2 PHE A 36 2.428 -5.936 -1.593 1.00 2.35 C ATOM 545 CE1 PHE A 36 2.933 -4.568 0.739 1.00 3.29 C ATOM 546 CE2 PHE A 36 1.492 -5.935 -0.526 1.00 3.17 C ATOM 547 CZ PHE A 36 1.764 -5.251 0.617 1.00 3.29 C ATOM 0 H PHE A 36 6.357 -5.415 -4.238 1.00 1.17 H new ATOM 0 HA PHE A 36 6.341 -4.411 -1.593 1.00 1.20 H new ATOM 0 HB2 PHE A 36 4.453 -4.361 -3.227 1.00 1.31 H new ATOM 0 HB3 PHE A 36 4.413 -6.113 -3.263 1.00 1.31 H new ATOM 0 HD1 PHE A 36 4.800 -4.026 -0.231 1.00 2.62 H new ATOM 0 HD2 PHE A 36 2.211 -6.478 -2.501 1.00 2.35 H new ATOM 0 HE1 PHE A 36 3.149 -4.025 1.647 1.00 3.29 H new ATOM 0 HE2 PHE A 36 0.563 -6.478 -0.622 1.00 3.17 H new ATOM 0 HZ PHE A 36 1.051 -5.250 1.428 1.00 3.29 H new ATOM 557 N ARG A 37 6.296 -7.683 -1.907 1.00 1.07 N ATOM 558 CA ARG A 37 6.563 -8.921 -1.196 1.00 1.09 C ATOM 559 C ARG A 37 7.837 -8.788 -0.358 1.00 1.18 C ATOM 560 O ARG A 37 7.861 -9.183 0.806 1.00 1.34 O ATOM 561 CB ARG A 37 6.721 -10.092 -2.168 1.00 1.18 C ATOM 562 CG ARG A 37 7.044 -11.387 -1.419 1.00 1.42 C ATOM 563 CD ARG A 37 5.764 -12.096 -0.972 1.00 2.32 C ATOM 564 NE ARG A 37 5.020 -12.590 -2.153 1.00 3.02 N ATOM 565 CZ ARG A 37 3.786 -13.109 -2.100 1.00 4.13 C ATOM 566 NH1 ARG A 37 3.270 -13.492 -0.924 1.00 4.78 N ATOM 567 NH2 ARG A 37 3.070 -13.249 -3.224 1.00 5.20 N ATOM 0 H ARG A 37 6.131 -7.793 -2.908 1.00 1.07 H new ATOM 0 HA ARG A 37 5.713 -9.118 -0.543 1.00 1.09 H new ATOM 0 HB2 ARG A 37 5.803 -10.219 -2.742 1.00 1.18 H new ATOM 0 HB3 ARG A 37 7.515 -9.872 -2.881 1.00 1.18 H new ATOM 0 HG2 ARG A 37 7.624 -12.048 -2.062 1.00 1.42 H new ATOM 0 HG3 ARG A 37 7.663 -11.164 -0.550 1.00 1.42 H new ATOM 0 HD2 ARG A 37 6.011 -12.928 -0.313 1.00 2.32 H new ATOM 0 HD3 ARG A 37 5.140 -11.410 -0.399 1.00 2.32 H new ATOM 0 HE ARG A 37 5.475 -12.532 -3.064 1.00 3.02 H new ATOM 0 HH11 ARG A 37 3.817 -13.388 -0.069 1.00 4.78 H new ATOM 0 HH12 ARG A 37 2.330 -13.887 -0.884 1.00 4.78 H new ATOM 0 HH21 ARG A 37 3.465 -12.961 -4.119 1.00 5.20 H new ATOM 0 HH22 ARG A 37 2.130 -13.644 -3.184 1.00 5.20 H new ATOM 581 N ALA A 38 8.863 -8.231 -0.984 1.00 1.14 N ATOM 582 CA ALA A 38 10.174 -8.165 -0.359 1.00 1.20 C ATOM 583 C ALA A 38 10.135 -7.160 0.793 1.00 1.26 C ATOM 584 O ALA A 38 10.636 -7.440 1.881 1.00 1.38 O ATOM 585 CB ALA A 38 11.223 -7.805 -1.413 1.00 1.14 C ATOM 0 H ALA A 38 8.814 -7.821 -1.917 1.00 1.14 H new ATOM 0 HA ALA A 38 10.450 -9.133 0.059 1.00 1.20 H new ATOM 0 HB1 ALA A 38 12.206 -7.755 -0.945 1.00 1.14 H new ATOM 0 HB2 ALA A 38 11.230 -8.566 -2.194 1.00 1.14 H new ATOM 0 HB3 ALA A 38 10.981 -6.837 -1.852 1.00 1.14 H new ATOM 591 N LEU A 39 9.535 -6.012 0.515 1.00 1.28 N ATOM 592 CA LEU A 39 9.463 -4.948 1.502 1.00 1.39 C ATOM 593 C LEU A 39 8.618 -5.414 2.689 1.00 1.55 C ATOM 594 O LEU A 39 8.870 -5.023 3.827 1.00 1.71 O ATOM 595 CB LEU A 39 8.959 -3.654 0.859 1.00 1.42 C ATOM 596 CG LEU A 39 9.876 -3.026 -0.192 1.00 1.30 C ATOM 597 CD1 LEU A 39 9.317 -1.686 -0.677 1.00 1.54 C ATOM 598 CD2 LEU A 39 11.305 -2.892 0.337 1.00 1.30 C ATOM 0 H LEU A 39 9.094 -5.795 -0.379 1.00 1.28 H new ATOM 0 HA LEU A 39 10.456 -4.720 1.888 1.00 1.39 H new ATOM 0 HB2 LEU A 39 7.993 -3.854 0.396 1.00 1.42 H new ATOM 0 HB3 LEU A 39 8.789 -2.922 1.648 1.00 1.42 H new ATOM 0 HG LEU A 39 9.913 -3.691 -1.055 1.00 1.30 H new ATOM 0 HD11 LEU A 39 9.988 -1.261 -1.424 1.00 1.54 H new ATOM 0 HD12 LEU A 39 8.333 -1.841 -1.120 1.00 1.54 H new ATOM 0 HD13 LEU A 39 9.232 -1.001 0.166 1.00 1.54 H new ATOM 0 HD21 LEU A 39 11.936 -2.443 -0.430 1.00 1.30 H new ATOM 0 HD22 LEU A 39 11.307 -2.259 1.225 1.00 1.30 H new ATOM 0 HD23 LEU A 39 11.692 -3.878 0.594 1.00 1.30 H new ATOM 610 N SER A 40 7.633 -6.245 2.382 1.00 1.63 N ATOM 611 CA SER A 40 6.742 -6.762 3.408 1.00 1.84 C ATOM 612 C SER A 40 7.524 -7.648 4.381 1.00 1.93 C ATOM 613 O SER A 40 7.667 -7.310 5.554 1.00 2.34 O ATOM 614 CB SER A 40 5.584 -7.547 2.788 1.00 1.91 C ATOM 615 OG SER A 40 4.690 -6.701 2.070 1.00 3.13 O ATOM 0 H SER A 40 7.432 -6.573 1.438 1.00 1.63 H new ATOM 0 HA SER A 40 6.321 -5.917 3.953 1.00 1.84 H new ATOM 0 HB2 SER A 40 5.981 -8.309 2.117 1.00 1.91 H new ATOM 0 HB3 SER A 40 5.037 -8.068 3.574 1.00 1.91 H new ATOM 0 HG SER A 40 5.101 -6.436 1.221 1.00 3.13 H new ATOM 621 N THR A 41 8.007 -8.764 3.856 1.00 1.77 N ATOM 622 CA THR A 41 8.682 -9.748 4.685 1.00 2.03 C ATOM 623 C THR A 41 10.027 -9.205 5.171 1.00 2.31 C ATOM 624 O THR A 41 10.597 -9.717 6.133 1.00 3.11 O ATOM 625 CB THR A 41 8.805 -11.043 3.877 1.00 1.96 C ATOM 626 OG1 THR A 41 9.332 -11.983 4.807 1.00 2.38 O ATOM 627 CG2 THR A 41 9.877 -10.954 2.789 1.00 2.09 C ATOM 0 H THR A 41 7.945 -9.009 2.868 1.00 1.77 H new ATOM 0 HA THR A 41 8.110 -9.964 5.587 1.00 2.03 H new ATOM 0 HB THR A 41 7.844 -11.279 3.421 1.00 1.96 H new ATOM 0 HG1 THR A 41 9.781 -11.506 5.536 1.00 2.38 H new ATOM 0 HG21 THR A 41 9.923 -11.898 2.246 1.00 2.09 H new ATOM 0 HG22 THR A 41 9.628 -10.149 2.097 1.00 2.09 H new ATOM 0 HG23 THR A 41 10.845 -10.751 3.248 1.00 2.09 H new ATOM 635 N GLY A 42 10.497 -8.175 4.482 1.00 1.94 N ATOM 636 CA GLY A 42 11.649 -7.424 4.950 1.00 2.45 C ATOM 637 C GLY A 42 12.926 -8.263 4.853 1.00 2.24 C ATOM 638 O GLY A 42 13.887 -8.022 5.582 1.00 2.93 O ATOM 0 H GLY A 42 10.100 -7.843 3.603 1.00 1.94 H new ATOM 0 HA2 GLY A 42 11.760 -6.516 4.358 1.00 2.45 H new ATOM 0 HA3 GLY A 42 11.491 -7.114 5.983 1.00 2.45 H new ATOM 642 N GLU A 43 12.894 -9.229 3.947 1.00 2.22 N ATOM 643 CA GLU A 43 14.057 -10.063 3.702 1.00 2.67 C ATOM 644 C GLU A 43 15.100 -9.294 2.888 1.00 2.60 C ATOM 645 O GLU A 43 16.264 -9.688 2.832 1.00 3.14 O ATOM 646 CB GLU A 43 13.662 -11.363 2.997 1.00 3.48 C ATOM 647 CG GLU A 43 13.161 -12.401 4.003 1.00 4.32 C ATOM 648 CD GLU A 43 14.331 -13.116 4.682 1.00 4.97 C ATOM 649 OE1 GLU A 43 14.870 -14.049 4.050 1.00 5.55 O ATOM 650 OE2 GLU A 43 14.660 -12.712 5.818 1.00 5.64 O ATOM 0 H GLU A 43 12.080 -9.452 3.374 1.00 2.22 H new ATOM 0 HA GLU A 43 14.497 -10.329 4.663 1.00 2.67 H new ATOM 0 HB2 GLU A 43 12.884 -11.160 2.261 1.00 3.48 H new ATOM 0 HB3 GLU A 43 14.519 -11.761 2.454 1.00 3.48 H new ATOM 0 HG2 GLU A 43 12.542 -11.914 4.756 1.00 4.32 H new ATOM 0 HG3 GLU A 43 12.530 -13.130 3.495 1.00 4.32 H new ATOM 657 N LYS A 44 14.645 -8.211 2.276 1.00 2.70 N ATOM 658 CA LYS A 44 15.521 -7.389 1.458 1.00 2.80 C ATOM 659 C LYS A 44 16.324 -6.451 2.362 1.00 2.55 C ATOM 660 O LYS A 44 17.314 -5.864 1.930 1.00 2.83 O ATOM 661 CB LYS A 44 14.719 -6.663 0.377 1.00 3.50 C ATOM 662 CG LYS A 44 15.279 -6.963 -1.015 1.00 3.43 C ATOM 663 CD LYS A 44 15.080 -8.436 -1.380 1.00 3.18 C ATOM 664 CE LYS A 44 15.015 -8.621 -2.897 1.00 2.85 C ATOM 665 NZ LYS A 44 13.608 -8.631 -3.358 1.00 4.12 N ATOM 0 H LYS A 44 13.681 -7.883 2.330 1.00 2.70 H new ATOM 0 HA LYS A 44 16.240 -8.012 0.925 1.00 2.80 H new ATOM 0 HB2 LYS A 44 13.674 -6.970 0.427 1.00 3.50 H new ATOM 0 HB3 LYS A 44 14.745 -5.589 0.560 1.00 3.50 H new ATOM 0 HG2 LYS A 44 14.785 -6.332 -1.754 1.00 3.43 H new ATOM 0 HG3 LYS A 44 16.341 -6.717 -1.045 1.00 3.43 H new ATOM 0 HD2 LYS A 44 15.899 -9.029 -0.973 1.00 3.18 H new ATOM 0 HD3 LYS A 44 14.161 -8.806 -0.925 1.00 3.18 H new ATOM 0 HE2 LYS A 44 15.560 -7.817 -3.391 1.00 2.85 H new ATOM 0 HE3 LYS A 44 15.502 -9.555 -3.177 1.00 2.85 H new ATOM 0 HZ1 LYS A 44 13.582 -8.757 -4.390 1.00 4.12 H new ATOM 0 HZ2 LYS A 44 13.098 -9.413 -2.900 1.00 4.12 H new ATOM 0 HZ3 LYS A 44 13.154 -7.729 -3.108 1.00 4.12 H new ATOM 679 N GLY A 45 15.867 -6.340 3.601 1.00 2.55 N ATOM 680 CA GLY A 45 16.614 -5.613 4.612 1.00 3.17 C ATOM 681 C GLY A 45 15.736 -4.558 5.289 1.00 2.95 C ATOM 682 O GLY A 45 16.008 -4.150 6.417 1.00 3.91 O ATOM 0 H GLY A 45 14.988 -6.742 3.927 1.00 2.55 H new ATOM 0 HA2 GLY A 45 16.994 -6.309 5.360 1.00 3.17 H new ATOM 0 HA3 GLY A 45 17.479 -5.133 4.155 1.00 3.17 H new ATOM 686 N PHE A 46 14.701 -4.146 4.571 1.00 2.12 N ATOM 687 CA PHE A 46 13.855 -3.058 5.033 1.00 2.13 C ATOM 688 C PHE A 46 12.438 -3.189 4.471 1.00 1.97 C ATOM 689 O PHE A 46 12.164 -4.083 3.672 1.00 1.86 O ATOM 690 CB PHE A 46 14.478 -1.758 4.519 1.00 2.09 C ATOM 691 CG PHE A 46 15.046 -1.858 3.102 1.00 1.76 C ATOM 692 CD1 PHE A 46 16.339 -2.234 2.914 1.00 2.40 C ATOM 693 CD2 PHE A 46 14.258 -1.571 2.032 1.00 2.23 C ATOM 694 CE1 PHE A 46 16.867 -2.327 1.599 1.00 2.82 C ATOM 695 CE2 PHE A 46 14.786 -1.664 0.717 1.00 2.34 C ATOM 696 CZ PHE A 46 16.079 -2.039 0.528 1.00 2.40 C ATOM 0 H PHE A 46 14.429 -4.546 3.673 1.00 2.12 H new ATOM 0 HA PHE A 46 13.788 -3.074 6.121 1.00 2.13 H new ATOM 0 HB2 PHE A 46 13.724 -0.972 4.542 1.00 2.09 H new ATOM 0 HB3 PHE A 46 15.275 -1.456 5.198 1.00 2.09 H new ATOM 0 HD1 PHE A 46 16.964 -2.462 3.765 1.00 2.40 H new ATOM 0 HD2 PHE A 46 13.231 -1.272 2.182 1.00 2.23 H new ATOM 0 HE1 PHE A 46 17.894 -2.626 1.449 1.00 2.82 H new ATOM 0 HE2 PHE A 46 14.160 -1.437 -0.133 1.00 2.34 H new ATOM 0 HZ PHE A 46 16.481 -2.108 -0.472 1.00 2.40 H new ATOM 706 N GLY A 47 11.576 -2.284 4.910 1.00 2.16 N ATOM 707 CA GLY A 47 10.199 -2.275 4.445 1.00 2.26 C ATOM 708 C GLY A 47 9.245 -2.742 5.546 1.00 1.68 C ATOM 709 O GLY A 47 9.481 -3.767 6.182 1.00 2.48 O ATOM 0 H GLY A 47 11.804 -1.552 5.583 1.00 2.16 H new ATOM 0 HA2 GLY A 47 9.926 -1.269 4.125 1.00 2.26 H new ATOM 0 HA3 GLY A 47 10.101 -2.924 3.575 1.00 2.26 H new ATOM 713 N TYR A 48 8.187 -1.967 5.736 1.00 1.80 N ATOM 714 CA TYR A 48 7.080 -2.402 6.569 1.00 1.58 C ATOM 715 C TYR A 48 7.573 -2.835 7.952 1.00 1.21 C ATOM 716 O TYR A 48 7.035 -3.771 8.541 1.00 2.15 O ATOM 717 CB TYR A 48 6.467 -3.611 5.859 1.00 1.75 C ATOM 718 CG TYR A 48 5.032 -3.386 5.377 1.00 3.04 C ATOM 719 CD1 TYR A 48 4.795 -2.642 4.239 1.00 3.86 C ATOM 720 CD2 TYR A 48 3.975 -3.928 6.079 1.00 4.45 C ATOM 721 CE1 TYR A 48 3.445 -2.431 3.785 1.00 5.32 C ATOM 722 CE2 TYR A 48 2.625 -3.717 5.626 1.00 6.01 C ATOM 723 CZ TYR A 48 2.426 -2.979 4.501 1.00 6.15 C ATOM 724 OH TYR A 48 1.151 -2.779 4.072 1.00 7.75 O ATOM 0 H TYR A 48 8.074 -1.040 5.327 1.00 1.80 H new ATOM 0 HA TYR A 48 6.364 -1.592 6.709 1.00 1.58 H new ATOM 0 HB2 TYR A 48 7.090 -3.872 5.004 1.00 1.75 H new ATOM 0 HB3 TYR A 48 6.482 -4.464 6.537 1.00 1.75 H new ATOM 0 HD1 TYR A 48 5.622 -2.218 3.689 1.00 3.86 H new ATOM 0 HD2 TYR A 48 4.161 -4.511 6.969 1.00 4.45 H new ATOM 0 HE1 TYR A 48 3.246 -1.851 2.896 1.00 5.32 H new ATOM 0 HE2 TYR A 48 1.789 -4.135 6.167 1.00 6.01 H new ATOM 0 HH TYR A 48 0.527 -3.229 4.679 1.00 7.75 H new ATOM 734 N LYS A 49 8.590 -2.133 8.429 1.00 1.06 N ATOM 735 CA LYS A 49 9.136 -2.407 9.748 1.00 1.03 C ATOM 736 C LYS A 49 9.831 -1.151 10.278 1.00 1.31 C ATOM 737 O LYS A 49 10.967 -1.218 10.745 1.00 1.49 O ATOM 738 CB LYS A 49 10.039 -3.641 9.709 1.00 1.20 C ATOM 739 CG LYS A 49 10.444 -4.068 11.121 1.00 1.48 C ATOM 740 CD LYS A 49 10.157 -5.554 11.348 1.00 1.99 C ATOM 741 CE LYS A 49 8.673 -5.788 11.638 1.00 2.05 C ATOM 742 NZ LYS A 49 8.330 -5.320 12.999 1.00 2.47 N ATOM 0 H LYS A 49 9.051 -1.375 7.926 1.00 1.06 H new ATOM 0 HA LYS A 49 8.337 -2.649 10.449 1.00 1.03 H new ATOM 0 HB2 LYS A 49 9.520 -4.461 9.212 1.00 1.20 H new ATOM 0 HB3 LYS A 49 10.931 -3.425 9.121 1.00 1.20 H new ATOM 0 HG2 LYS A 49 11.505 -3.871 11.274 1.00 1.48 H new ATOM 0 HG3 LYS A 49 9.901 -3.473 11.855 1.00 1.48 H new ATOM 0 HD2 LYS A 49 10.453 -6.124 10.467 1.00 1.99 H new ATOM 0 HD3 LYS A 49 10.756 -5.921 12.181 1.00 1.99 H new ATOM 0 HE2 LYS A 49 8.065 -5.261 10.902 1.00 2.05 H new ATOM 0 HE3 LYS A 49 8.441 -6.849 11.543 1.00 2.05 H new ATOM 0 HZ1 LYS A 49 7.426 -4.807 12.972 1.00 2.47 H new ATOM 0 HZ2 LYS A 49 8.245 -6.138 13.636 1.00 2.47 H new ATOM 0 HZ3 LYS A 49 9.078 -4.686 13.347 1.00 2.47 H new ATOM 756 N GLY A 50 9.121 -0.037 10.187 1.00 1.70 N ATOM 757 CA GLY A 50 9.655 1.231 10.654 1.00 2.12 C ATOM 758 C GLY A 50 8.532 2.239 10.909 1.00 1.87 C ATOM 759 O GLY A 50 8.487 3.295 10.280 1.00 2.49 O ATOM 0 H GLY A 50 8.180 0.014 9.797 1.00 1.70 H new ATOM 0 HA2 GLY A 50 10.223 1.075 11.571 1.00 2.12 H new ATOM 0 HA3 GLY A 50 10.348 1.632 9.914 1.00 2.12 H new ATOM 763 N SER A 51 7.654 1.877 11.832 1.00 2.28 N ATOM 764 CA SER A 51 6.518 2.722 12.157 1.00 3.06 C ATOM 765 C SER A 51 5.564 2.797 10.963 1.00 1.89 C ATOM 766 O SER A 51 5.769 2.122 9.957 1.00 2.21 O ATOM 767 CB SER A 51 6.973 4.126 12.561 1.00 4.74 C ATOM 768 OG SER A 51 8.130 4.093 13.393 1.00 6.05 O ATOM 0 H SER A 51 7.706 1.009 12.366 1.00 2.28 H new ATOM 0 HA SER A 51 5.995 2.281 13.006 1.00 3.06 H new ATOM 0 HB2 SER A 51 7.187 4.710 11.666 1.00 4.74 H new ATOM 0 HB3 SER A 51 6.163 4.633 13.086 1.00 4.74 H new ATOM 0 HG SER A 51 8.390 5.008 13.628 1.00 6.05 H new ATOM 774 N CYS A 52 4.541 3.625 11.115 1.00 2.06 N ATOM 775 CA CYS A 52 3.569 3.818 10.052 1.00 1.74 C ATOM 776 C CYS A 52 3.252 5.312 9.956 1.00 1.83 C ATOM 777 O CYS A 52 2.826 5.924 10.934 1.00 3.64 O ATOM 778 CB CYS A 52 2.309 2.980 10.279 1.00 3.77 C ATOM 779 SG CYS A 52 1.216 3.084 8.814 1.00 5.48 S ATOM 0 H CYS A 52 4.364 4.170 11.959 1.00 2.06 H new ATOM 0 HA CYS A 52 3.988 3.475 9.106 1.00 1.74 H new ATOM 0 HB2 CYS A 52 2.582 1.941 10.467 1.00 3.77 H new ATOM 0 HB3 CYS A 52 1.780 3.335 11.163 1.00 3.77 H new ATOM 0 HG CYS A 52 1.559 2.174 7.951 1.00 5.48 H new ATOM 785 N PHE A 53 3.472 5.855 8.768 1.00 1.61 N ATOM 786 CA PHE A 53 3.170 7.254 8.518 1.00 2.53 C ATOM 787 C PHE A 53 3.370 7.603 7.041 1.00 1.92 C ATOM 788 O PHE A 53 4.451 7.395 6.492 1.00 2.77 O ATOM 789 CB PHE A 53 4.144 8.080 9.361 1.00 4.64 C ATOM 790 CG PHE A 53 4.084 9.583 9.087 1.00 6.03 C ATOM 791 CD1 PHE A 53 3.073 10.329 9.608 1.00 6.76 C ATOM 792 CD2 PHE A 53 5.041 10.175 8.324 1.00 7.37 C ATOM 793 CE1 PHE A 53 3.018 11.726 9.355 1.00 8.67 C ATOM 794 CE2 PHE A 53 4.985 11.570 8.070 1.00 9.13 C ATOM 795 CZ PHE A 53 3.975 12.317 8.591 1.00 9.68 C ATOM 0 H PHE A 53 3.856 5.352 7.968 1.00 1.61 H new ATOM 0 HA PHE A 53 2.131 7.462 8.776 1.00 2.53 H new ATOM 0 HB2 PHE A 53 3.934 7.905 10.416 1.00 4.64 H new ATOM 0 HB3 PHE A 53 5.159 7.727 9.175 1.00 4.64 H new ATOM 0 HD1 PHE A 53 2.312 9.859 10.214 1.00 6.76 H new ATOM 0 HD2 PHE A 53 5.844 9.583 7.911 1.00 7.37 H new ATOM 0 HE1 PHE A 53 2.216 12.319 9.770 1.00 8.67 H new ATOM 0 HE2 PHE A 53 5.745 12.039 7.463 1.00 9.13 H new ATOM 0 HZ PHE A 53 3.933 13.379 8.398 1.00 9.68 H new ATOM 805 N HIS A 54 2.311 8.127 6.441 1.00 1.59 N ATOM 806 CA HIS A 54 2.378 8.571 5.059 1.00 1.52 C ATOM 807 C HIS A 54 1.182 9.475 4.752 1.00 1.51 C ATOM 808 O HIS A 54 1.342 10.679 4.566 1.00 2.23 O ATOM 809 CB HIS A 54 2.479 7.377 4.108 1.00 2.02 C ATOM 810 CG HIS A 54 2.891 7.744 2.703 1.00 1.87 C ATOM 811 ND1 HIS A 54 3.017 6.809 1.690 1.00 1.93 N ATOM 812 CD2 HIS A 54 3.203 8.952 2.152 1.00 2.85 C ATOM 813 CE1 HIS A 54 3.389 7.437 0.585 1.00 2.38 C ATOM 814 NE2 HIS A 54 3.504 8.765 0.873 1.00 3.26 N ATOM 0 H HIS A 54 1.402 8.254 6.886 1.00 1.59 H new ATOM 0 HA HIS A 54 3.283 9.159 4.906 1.00 1.52 H new ATOM 0 HB2 HIS A 54 3.198 6.664 4.512 1.00 2.02 H new ATOM 0 HB3 HIS A 54 1.514 6.871 4.072 1.00 2.02 H new ATOM 0 HD2 HIS A 54 3.205 9.900 2.669 1.00 2.85 H new ATOM 0 HE1 HIS A 54 3.570 6.978 -0.376 1.00 2.38 H new ATOM 0 HE2 HIS A 54 3.776 9.494 0.214 1.00 3.26 H new ATOM 822 N ARG A 55 0.011 8.857 4.710 1.00 1.06 N ATOM 823 CA ARG A 55 -1.206 9.584 4.392 1.00 1.18 C ATOM 824 C ARG A 55 -2.423 8.667 4.532 1.00 1.02 C ATOM 825 O ARG A 55 -2.432 7.555 4.006 1.00 1.16 O ATOM 826 CB ARG A 55 -1.159 10.142 2.968 1.00 1.59 C ATOM 827 CG ARG A 55 -2.200 11.248 2.778 1.00 1.22 C ATOM 828 CD ARG A 55 -1.929 12.040 1.498 1.00 1.37 C ATOM 829 NE ARG A 55 -2.862 13.186 1.405 1.00 1.92 N ATOM 830 CZ ARG A 55 -2.863 14.223 2.253 1.00 2.97 C ATOM 831 NH1 ARG A 55 -1.827 14.412 3.082 1.00 3.38 N ATOM 832 NH2 ARG A 55 -3.900 15.072 2.273 1.00 4.50 N ATOM 0 H ARG A 55 -0.121 7.862 4.891 1.00 1.06 H new ATOM 0 HA ARG A 55 -1.289 10.415 5.093 1.00 1.18 H new ATOM 0 HB2 ARG A 55 -0.164 10.535 2.760 1.00 1.59 H new ATOM 0 HB3 ARG A 55 -1.341 9.340 2.253 1.00 1.59 H new ATOM 0 HG2 ARG A 55 -3.197 10.810 2.735 1.00 1.22 H new ATOM 0 HG3 ARG A 55 -2.183 11.920 3.636 1.00 1.22 H new ATOM 0 HD2 ARG A 55 -0.899 12.397 1.493 1.00 1.37 H new ATOM 0 HD3 ARG A 55 -2.046 11.393 0.629 1.00 1.37 H new ATOM 0 HE ARG A 55 -3.546 13.186 0.649 1.00 1.92 H new ATOM 0 HH11 ARG A 55 -1.038 13.766 3.067 1.00 3.38 H new ATOM 0 HH12 ARG A 55 -1.828 15.202 3.728 1.00 3.38 H new ATOM 0 HH21 ARG A 55 -4.689 14.929 1.642 1.00 4.50 H new ATOM 0 HH22 ARG A 55 -3.900 15.861 2.919 1.00 4.50 H new ATOM 846 N ILE A 56 -3.421 9.166 5.246 1.00 0.97 N ATOM 847 CA ILE A 56 -4.646 8.411 5.452 1.00 0.85 C ATOM 848 C ILE A 56 -5.850 9.318 5.190 1.00 0.86 C ATOM 849 O ILE A 56 -5.944 10.408 5.752 1.00 1.05 O ATOM 850 CB ILE A 56 -4.651 7.768 6.841 1.00 0.86 C ATOM 851 CG1 ILE A 56 -3.861 6.458 6.841 1.00 0.80 C ATOM 852 CG2 ILE A 56 -6.081 7.576 7.351 1.00 1.01 C ATOM 853 CD1 ILE A 56 -3.752 5.883 8.255 1.00 0.83 C ATOM 0 H ILE A 56 -3.407 10.084 5.690 1.00 0.97 H new ATOM 0 HA ILE A 56 -4.709 7.586 4.743 1.00 0.85 H new ATOM 0 HB ILE A 56 -4.151 8.445 7.533 1.00 0.86 H new ATOM 0 HG12 ILE A 56 -4.349 5.735 6.187 1.00 0.80 H new ATOM 0 HG13 ILE A 56 -2.863 6.631 6.437 1.00 0.80 H new ATOM 0 HG21 ILE A 56 -6.056 7.117 8.340 1.00 1.01 H new ATOM 0 HG22 ILE A 56 -6.578 8.544 7.412 1.00 1.01 H new ATOM 0 HG23 ILE A 56 -6.628 6.930 6.665 1.00 1.01 H new ATOM 0 HD11 ILE A 56 -3.186 4.952 8.227 1.00 0.83 H new ATOM 0 HD12 ILE A 56 -3.242 6.598 8.900 1.00 0.83 H new ATOM 0 HD13 ILE A 56 -4.750 5.689 8.647 1.00 0.83 H new ATOM 865 N ILE A 57 -6.740 8.834 4.337 1.00 0.76 N ATOM 866 CA ILE A 57 -7.973 9.549 4.056 1.00 0.78 C ATOM 867 C ILE A 57 -9.160 8.600 4.236 1.00 0.74 C ATOM 868 O ILE A 57 -9.173 7.502 3.680 1.00 0.72 O ATOM 869 CB ILE A 57 -7.912 10.200 2.673 1.00 0.84 C ATOM 870 CG1 ILE A 57 -6.719 11.152 2.567 1.00 1.12 C ATOM 871 CG2 ILE A 57 -9.231 10.897 2.336 1.00 0.79 C ATOM 872 CD1 ILE A 57 -6.525 11.632 1.128 1.00 1.24 C ATOM 0 H ILE A 57 -6.632 7.955 3.831 1.00 0.76 H new ATOM 0 HA ILE A 57 -8.108 10.368 4.763 1.00 0.78 H new ATOM 0 HB ILE A 57 -7.764 9.414 1.933 1.00 0.84 H new ATOM 0 HG12 ILE A 57 -6.874 12.009 3.222 1.00 1.12 H new ATOM 0 HG13 ILE A 57 -5.816 10.648 2.911 1.00 1.12 H new ATOM 0 HG21 ILE A 57 -9.160 11.351 1.348 1.00 0.79 H new ATOM 0 HG22 ILE A 57 -10.040 10.167 2.343 1.00 0.79 H new ATOM 0 HG23 ILE A 57 -9.434 11.670 3.077 1.00 0.79 H new ATOM 0 HD11 ILE A 57 -5.671 12.307 1.082 1.00 1.24 H new ATOM 0 HD12 ILE A 57 -6.346 10.774 0.479 1.00 1.24 H new ATOM 0 HD13 ILE A 57 -7.421 12.157 0.796 1.00 1.24 H new ATOM 884 N PRO A 58 -10.155 9.070 5.036 1.00 0.78 N ATOM 885 CA PRO A 58 -11.329 8.263 5.322 1.00 0.79 C ATOM 886 C PRO A 58 -12.271 8.220 4.118 1.00 0.78 C ATOM 887 O PRO A 58 -12.662 9.261 3.594 1.00 0.92 O ATOM 888 CB PRO A 58 -11.959 8.906 6.548 1.00 0.89 C ATOM 889 CG PRO A 58 -11.384 10.312 6.623 1.00 0.95 C ATOM 890 CD PRO A 58 -10.187 10.376 5.688 1.00 0.88 C ATOM 0 HA PRO A 58 -11.085 7.219 5.518 1.00 0.79 H new ATOM 0 HB2 PRO A 58 -13.045 8.932 6.461 1.00 0.89 H new ATOM 0 HB3 PRO A 58 -11.725 8.340 7.450 1.00 0.89 H new ATOM 0 HG2 PRO A 58 -12.135 11.047 6.333 1.00 0.95 H new ATOM 0 HG3 PRO A 58 -11.084 10.548 7.644 1.00 0.95 H new ATOM 0 HD2 PRO A 58 -10.296 11.180 4.960 1.00 0.88 H new ATOM 0 HD3 PRO A 58 -9.265 10.567 6.237 1.00 0.88 H new ATOM 898 N GLY A 59 -12.608 7.003 3.715 1.00 0.74 N ATOM 899 CA GLY A 59 -13.540 6.811 2.616 1.00 0.79 C ATOM 900 C GLY A 59 -12.883 7.147 1.276 1.00 0.71 C ATOM 901 O GLY A 59 -13.494 7.792 0.425 1.00 0.78 O ATOM 0 H GLY A 59 -12.253 6.141 4.129 1.00 0.74 H new ATOM 0 HA2 GLY A 59 -13.888 5.778 2.606 1.00 0.79 H new ATOM 0 HA3 GLY A 59 -14.417 7.441 2.764 1.00 0.79 H new ATOM 905 N PHE A 60 -11.646 6.696 1.129 1.00 0.65 N ATOM 906 CA PHE A 60 -10.940 6.842 -0.132 1.00 0.61 C ATOM 907 C PHE A 60 -9.761 5.870 -0.217 1.00 0.60 C ATOM 908 O PHE A 60 -9.744 4.984 -1.070 1.00 0.71 O ATOM 909 CB PHE A 60 -10.408 8.276 -0.184 1.00 0.59 C ATOM 910 CG PHE A 60 -9.635 8.607 -1.462 1.00 0.64 C ATOM 911 CD1 PHE A 60 -9.858 7.891 -2.596 1.00 2.11 C ATOM 912 CD2 PHE A 60 -8.726 9.618 -1.464 1.00 1.67 C ATOM 913 CE1 PHE A 60 -9.140 8.199 -3.783 1.00 2.19 C ATOM 914 CE2 PHE A 60 -8.008 9.926 -2.650 1.00 1.68 C ATOM 915 CZ PHE A 60 -8.231 9.209 -3.785 1.00 0.89 C ATOM 0 H PHE A 60 -11.114 6.229 1.863 1.00 0.65 H new ATOM 0 HA PHE A 60 -11.613 6.627 -0.962 1.00 0.61 H new ATOM 0 HB2 PHE A 60 -11.246 8.967 -0.089 1.00 0.59 H new ATOM 0 HB3 PHE A 60 -9.758 8.443 0.675 1.00 0.59 H new ATOM 0 HD1 PHE A 60 -10.581 7.088 -2.595 1.00 2.11 H new ATOM 0 HD2 PHE A 60 -8.550 10.187 -0.563 1.00 1.67 H new ATOM 0 HE1 PHE A 60 -9.317 7.630 -4.684 1.00 2.19 H new ATOM 0 HE2 PHE A 60 -7.285 10.729 -2.651 1.00 1.68 H new ATOM 0 HZ PHE A 60 -7.685 9.443 -4.687 1.00 0.89 H new ATOM 925 N MET A 61 -8.806 6.069 0.678 1.00 0.56 N ATOM 926 CA MET A 61 -7.586 5.280 0.660 1.00 0.67 C ATOM 927 C MET A 61 -6.837 5.395 1.989 1.00 0.65 C ATOM 928 O MET A 61 -6.875 6.440 2.638 1.00 0.78 O ATOM 929 CB MET A 61 -6.684 5.762 -0.479 1.00 0.78 C ATOM 930 CG MET A 61 -6.517 7.283 -0.439 1.00 1.26 C ATOM 931 SD MET A 61 -4.792 7.712 -0.613 1.00 1.95 S ATOM 932 CE MET A 61 -4.331 7.846 1.107 1.00 1.29 C ATOM 0 H MET A 61 -8.852 6.766 1.421 1.00 0.56 H new ATOM 0 HA MET A 61 -7.854 4.235 0.506 1.00 0.67 H new ATOM 0 HB2 MET A 61 -5.708 5.283 -0.402 1.00 0.78 H new ATOM 0 HB3 MET A 61 -7.111 5.464 -1.437 1.00 0.78 H new ATOM 0 HG2 MET A 61 -7.097 7.742 -1.240 1.00 1.26 H new ATOM 0 HG3 MET A 61 -6.905 7.675 0.501 1.00 1.26 H new ATOM 0 HE1 MET A 61 -3.302 8.196 1.182 1.00 1.29 H new ATOM 0 HE2 MET A 61 -4.992 8.554 1.607 1.00 1.29 H new ATOM 0 HE3 MET A 61 -4.417 6.870 1.584 1.00 1.29 H new ATOM 942 N CYS A 62 -6.176 4.308 2.355 1.00 0.67 N ATOM 943 CA CYS A 62 -5.375 4.291 3.568 1.00 0.79 C ATOM 944 C CYS A 62 -4.129 3.442 3.310 1.00 1.11 C ATOM 945 O CYS A 62 -4.174 2.488 2.534 1.00 1.23 O ATOM 946 CB CYS A 62 -6.178 3.780 4.766 1.00 1.15 C ATOM 947 SG CYS A 62 -7.583 4.902 5.104 1.00 2.67 S ATOM 0 H CYS A 62 -6.178 3.432 1.833 1.00 0.67 H new ATOM 0 HA CYS A 62 -5.073 5.307 3.823 1.00 0.79 H new ATOM 0 HB2 CYS A 62 -6.546 2.774 4.565 1.00 1.15 H new ATOM 0 HB3 CYS A 62 -5.535 3.715 5.644 1.00 1.15 H new ATOM 0 HG CYS A 62 -7.543 5.908 4.281 1.00 2.67 H new ATOM 953 N GLN A 63 -3.048 3.818 3.976 1.00 1.64 N ATOM 954 CA GLN A 63 -1.772 3.154 3.766 1.00 2.16 C ATOM 955 C GLN A 63 -0.765 3.592 4.832 1.00 2.06 C ATOM 956 O GLN A 63 -1.146 3.913 5.957 1.00 2.54 O ATOM 957 CB GLN A 63 -1.236 3.428 2.361 1.00 2.62 C ATOM 958 CG GLN A 63 -0.689 2.149 1.724 1.00 3.99 C ATOM 959 CD GLN A 63 0.133 1.343 2.732 1.00 5.51 C ATOM 960 OE1 GLN A 63 1.277 1.648 3.025 1.00 6.34 O ATOM 961 NE2 GLN A 63 -0.514 0.299 3.244 1.00 6.55 N ATOM 0 H GLN A 63 -3.029 4.573 4.661 1.00 1.64 H new ATOM 0 HA GLN A 63 -1.925 2.079 3.857 1.00 2.16 H new ATOM 0 HB2 GLN A 63 -2.031 3.838 1.738 1.00 2.62 H new ATOM 0 HB3 GLN A 63 -0.449 4.180 2.408 1.00 2.62 H new ATOM 0 HG2 GLN A 63 -1.514 1.541 1.354 1.00 3.99 H new ATOM 0 HG3 GLN A 63 -0.069 2.403 0.864 1.00 3.99 H new ATOM 0 HE21 GLN A 63 -1.472 0.101 2.955 1.00 6.55 H new ATOM 0 HE22 GLN A 63 -0.052 -0.303 3.926 1.00 6.55 H new ATOM 970 N GLY A 64 0.500 3.592 4.440 1.00 1.78 N ATOM 971 CA GLY A 64 1.573 3.899 5.372 1.00 2.04 C ATOM 972 C GLY A 64 2.445 2.667 5.629 1.00 2.71 C ATOM 973 O GLY A 64 2.015 1.725 6.292 1.00 4.15 O ATOM 0 H GLY A 64 0.807 3.384 3.490 1.00 1.78 H new ATOM 0 HA2 GLY A 64 2.187 4.706 4.973 1.00 2.04 H new ATOM 0 HA3 GLY A 64 1.152 4.254 6.313 1.00 2.04 H new ATOM 977 N GLY A 65 3.653 2.715 5.088 1.00 2.34 N ATOM 978 CA GLY A 65 4.598 1.626 5.270 1.00 3.28 C ATOM 979 C GLY A 65 5.610 1.580 4.122 1.00 3.01 C ATOM 980 O GLY A 65 5.759 2.551 3.383 1.00 2.71 O ATOM 0 H GLY A 65 3.999 3.491 4.524 1.00 2.34 H new ATOM 0 HA2 GLY A 65 5.123 1.750 6.217 1.00 3.28 H new ATOM 0 HA3 GLY A 65 4.061 0.679 5.324 1.00 3.28 H new ATOM 984 N ASP A 66 6.280 0.443 4.011 1.00 4.07 N ATOM 985 CA ASP A 66 7.260 0.252 2.956 1.00 4.77 C ATOM 986 C ASP A 66 8.054 1.545 2.764 1.00 3.56 C ATOM 987 O ASP A 66 7.839 2.272 1.795 1.00 4.20 O ATOM 988 CB ASP A 66 6.580 -0.088 1.629 1.00 6.54 C ATOM 989 CG ASP A 66 5.305 0.704 1.334 1.00 6.88 C ATOM 990 OD1 ASP A 66 4.291 0.417 2.006 1.00 7.49 O ATOM 991 OD2 ASP A 66 5.373 1.579 0.444 1.00 7.14 O ATOM 0 H ASP A 66 6.163 -0.356 4.635 1.00 4.07 H new ATOM 0 HA ASP A 66 7.914 -0.570 3.247 1.00 4.77 H new ATOM 0 HB2 ASP A 66 7.291 0.082 0.820 1.00 6.54 H new ATOM 0 HB3 ASP A 66 6.339 -1.151 1.624 1.00 6.54 H new ATOM 996 N PHE A 67 8.958 1.792 3.701 1.00 3.03 N ATOM 997 CA PHE A 67 9.753 3.008 3.671 1.00 2.31 C ATOM 998 C PHE A 67 11.097 2.802 4.373 1.00 2.65 C ATOM 999 O PHE A 67 12.135 2.716 3.720 1.00 3.08 O ATOM 1000 CB PHE A 67 8.959 4.079 4.422 1.00 3.00 C ATOM 1001 CG PHE A 67 8.107 4.970 3.516 1.00 4.79 C ATOM 1002 CD1 PHE A 67 8.674 5.601 2.452 1.00 5.68 C ATOM 1003 CD2 PHE A 67 6.781 5.132 3.774 1.00 6.30 C ATOM 1004 CE1 PHE A 67 7.884 6.428 1.612 1.00 7.92 C ATOM 1005 CE2 PHE A 67 5.990 5.960 2.933 1.00 8.43 C ATOM 1006 CZ PHE A 67 6.558 6.590 1.870 1.00 9.14 C ATOM 0 H PHE A 67 9.157 1.171 4.485 1.00 3.03 H new ATOM 0 HA PHE A 67 9.953 3.297 2.639 1.00 2.31 H new ATOM 0 HB2 PHE A 67 8.310 3.592 5.150 1.00 3.00 H new ATOM 0 HB3 PHE A 67 9.653 4.706 4.982 1.00 3.00 H new ATOM 0 HD1 PHE A 67 9.726 5.472 2.247 1.00 5.68 H new ATOM 0 HD2 PHE A 67 6.330 4.631 4.618 1.00 6.30 H new ATOM 0 HE1 PHE A 67 8.335 6.929 0.768 1.00 7.92 H new ATOM 0 HE2 PHE A 67 4.938 6.089 3.138 1.00 8.43 H new ATOM 0 HZ PHE A 67 5.956 7.219 1.231 1.00 9.14 H new ATOM 1016 N THR A 68 11.033 2.726 5.695 1.00 3.62 N ATOM 1017 CA THR A 68 12.241 2.649 6.499 1.00 4.70 C ATOM 1018 C THR A 68 12.930 4.013 6.559 1.00 4.49 C ATOM 1019 O THR A 68 13.269 4.494 7.640 1.00 5.12 O ATOM 1020 CB THR A 68 13.126 1.547 5.916 1.00 5.71 C ATOM 1021 OG1 THR A 68 13.453 0.733 7.040 1.00 6.97 O ATOM 1022 CG2 THR A 68 14.479 2.076 5.434 1.00 5.89 C ATOM 0 H THR A 68 10.164 2.716 6.229 1.00 3.62 H new ATOM 0 HA THR A 68 12.012 2.390 7.533 1.00 4.70 H new ATOM 0 HB THR A 68 12.607 1.066 5.087 1.00 5.71 H new ATOM 0 HG1 THR A 68 14.025 -0.009 6.751 1.00 6.97 H new ATOM 0 HG21 THR A 68 15.068 1.253 5.029 1.00 5.89 H new ATOM 0 HG22 THR A 68 14.321 2.825 4.658 1.00 5.89 H new ATOM 0 HG23 THR A 68 15.012 2.527 6.271 1.00 5.89 H new ATOM 1030 N ARG A 69 13.116 4.600 5.385 1.00 4.01 N ATOM 1031 CA ARG A 69 13.770 5.893 5.291 1.00 4.28 C ATOM 1032 C ARG A 69 12.741 7.019 5.412 1.00 3.83 C ATOM 1033 O ARG A 69 12.498 7.749 4.453 1.00 4.21 O ATOM 1034 CB ARG A 69 14.518 6.037 3.963 1.00 4.88 C ATOM 1035 CG ARG A 69 15.556 7.158 4.037 1.00 5.04 C ATOM 1036 CD ARG A 69 16.719 6.772 4.952 1.00 6.39 C ATOM 1037 NE ARG A 69 17.865 7.679 4.725 1.00 6.79 N ATOM 1038 CZ ARG A 69 19.044 7.570 5.352 1.00 7.92 C ATOM 1039 NH1 ARG A 69 19.233 6.605 6.262 1.00 8.77 N ATOM 1040 NH2 ARG A 69 20.035 8.427 5.069 1.00 8.49 N ATOM 0 H ARG A 69 12.825 4.203 4.492 1.00 4.01 H new ATOM 0 HA ARG A 69 14.487 5.961 6.109 1.00 4.28 H new ATOM 0 HB2 ARG A 69 15.010 5.097 3.715 1.00 4.88 H new ATOM 0 HB3 ARG A 69 13.808 6.246 3.163 1.00 4.88 H new ATOM 0 HG2 ARG A 69 15.932 7.376 3.038 1.00 5.04 H new ATOM 0 HG3 ARG A 69 15.086 8.069 4.406 1.00 5.04 H new ATOM 0 HD2 ARG A 69 16.405 6.824 5.994 1.00 6.39 H new ATOM 0 HD3 ARG A 69 17.017 5.741 4.760 1.00 6.39 H new ATOM 0 HE ARG A 69 17.751 8.434 4.049 1.00 6.79 H new ATOM 0 HH11 ARG A 69 18.479 5.953 6.478 1.00 8.77 H new ATOM 0 HH12 ARG A 69 20.131 6.523 6.739 1.00 8.77 H new ATOM 0 HH21 ARG A 69 19.891 9.162 4.376 1.00 8.49 H new ATOM 0 HH22 ARG A 69 20.933 8.344 5.546 1.00 8.49 H new ATOM 1054 N HIS A 70 12.163 7.123 6.600 1.00 3.70 N ATOM 1055 CA HIS A 70 11.200 8.177 6.873 1.00 3.65 C ATOM 1056 C HIS A 70 11.931 9.512 7.028 1.00 4.39 C ATOM 1057 O HIS A 70 12.098 10.008 8.141 1.00 5.12 O ATOM 1058 CB HIS A 70 10.343 7.826 8.091 1.00 3.84 C ATOM 1059 CG HIS A 70 9.342 6.723 7.840 1.00 3.67 C ATOM 1060 ND1 HIS A 70 7.980 6.753 7.782 1.00 3.89 N flip ATOM 1061 CD2 HIS A 70 9.714 5.410 7.617 1.00 4.40 C flip ATOM 1062 CE1 HIS A 70 7.543 5.525 7.534 1.00 4.35 C flip ATOM 1063 NE2 HIS A 70 8.617 4.690 7.433 1.00 4.96 N flip ATOM 0 H HIS A 70 12.343 6.495 7.384 1.00 3.70 H new ATOM 0 HA HIS A 70 10.513 8.274 6.033 1.00 3.65 H new ATOM 0 HB2 HIS A 70 10.998 7.529 8.910 1.00 3.84 H new ATOM 0 HB3 HIS A 70 9.810 8.719 8.417 1.00 3.84 H new ATOM 0 HD1 HIS A 70 7.396 7.580 7.908 1.00 3.89 H new ATOM 0 HD2 HIS A 70 10.727 5.035 7.596 1.00 4.40 H new ATOM 0 HE1 HIS A 70 6.508 5.235 7.429 1.00 4.35 H new ATOM 1071 N ASN A 71 12.346 10.057 5.894 1.00 4.56 N ATOM 1072 CA ASN A 71 13.089 11.306 5.891 1.00 5.65 C ATOM 1073 C ASN A 71 13.294 11.769 4.447 1.00 6.16 C ATOM 1074 O ASN A 71 13.010 12.918 4.114 1.00 6.62 O ATOM 1075 CB ASN A 71 14.466 11.129 6.532 1.00 6.52 C ATOM 1076 CG ASN A 71 15.329 12.376 6.329 1.00 7.35 C ATOM 1077 OD1 ASN A 71 16.206 12.425 5.482 1.00 8.23 O ATOM 1078 ND2 ASN A 71 15.034 13.378 7.152 1.00 7.63 N ATOM 0 H ASN A 71 12.182 9.656 4.970 1.00 4.56 H new ATOM 0 HA ASN A 71 12.518 12.039 6.461 1.00 5.65 H new ATOM 0 HB2 ASN A 71 14.352 10.930 7.598 1.00 6.52 H new ATOM 0 HB3 ASN A 71 14.965 10.262 6.098 1.00 6.52 H new ATOM 0 HD21 ASN A 71 15.554 14.254 7.097 1.00 7.63 H new ATOM 0 HD22 ASN A 71 14.287 13.271 7.839 1.00 7.63 H new ATOM 1085 N GLY A 72 13.789 10.851 3.631 1.00 6.33 N ATOM 1086 CA GLY A 72 14.135 11.179 2.257 1.00 7.14 C ATOM 1087 C GLY A 72 13.270 10.392 1.272 1.00 6.06 C ATOM 1088 O GLY A 72 13.691 10.125 0.146 1.00 7.09 O ATOM 0 H GLY A 72 13.959 9.880 3.894 1.00 6.33 H new ATOM 0 HA2 GLY A 72 14.002 12.248 2.090 1.00 7.14 H new ATOM 0 HA3 GLY A 72 15.187 10.957 2.080 1.00 7.14 H new ATOM 1092 N THR A 73 12.077 10.042 1.728 1.00 4.34 N ATOM 1093 CA THR A 73 11.119 9.360 0.874 1.00 3.47 C ATOM 1094 C THR A 73 11.661 7.992 0.452 1.00 3.02 C ATOM 1095 O THR A 73 12.056 7.806 -0.697 1.00 3.59 O ATOM 1096 CB THR A 73 10.799 10.278 -0.307 1.00 3.29 C ATOM 1097 OG1 THR A 73 10.674 11.569 0.282 1.00 3.91 O ATOM 1098 CG2 THR A 73 9.418 10.004 -0.904 1.00 3.07 C ATOM 0 H THR A 73 11.751 10.218 2.678 1.00 4.34 H new ATOM 0 HA THR A 73 10.190 9.157 1.406 1.00 3.47 H new ATOM 0 HB THR A 73 11.558 10.155 -1.079 1.00 3.29 H new ATOM 0 HG1 THR A 73 10.468 12.228 -0.414 1.00 3.91 H new ATOM 0 HG21 THR A 73 9.241 10.683 -1.739 1.00 3.07 H new ATOM 0 HG22 THR A 73 9.372 8.974 -1.258 1.00 3.07 H new ATOM 0 HG23 THR A 73 8.655 10.160 -0.142 1.00 3.07 H new ATOM 1106 N GLY A 74 11.662 7.072 1.405 1.00 2.96 N ATOM 1107 CA GLY A 74 12.186 5.739 1.158 1.00 3.04 C ATOM 1108 C GLY A 74 11.246 4.940 0.253 1.00 2.62 C ATOM 1109 O GLY A 74 10.579 5.507 -0.611 1.00 2.95 O ATOM 0 H GLY A 74 11.308 7.223 2.350 1.00 2.96 H new ATOM 0 HA2 GLY A 74 13.170 5.811 0.694 1.00 3.04 H new ATOM 0 HA3 GLY A 74 12.318 5.215 2.105 1.00 3.04 H new ATOM 1113 N GLY A 75 11.223 3.635 0.482 1.00 2.78 N ATOM 1114 CA GLY A 75 10.341 2.759 -0.271 1.00 2.75 C ATOM 1115 C GLY A 75 10.842 2.577 -1.705 1.00 2.27 C ATOM 1116 O GLY A 75 10.071 2.701 -2.655 1.00 3.00 O ATOM 0 H GLY A 75 11.801 3.163 1.178 1.00 2.78 H new ATOM 0 HA2 GLY A 75 10.279 1.789 0.222 1.00 2.75 H new ATOM 0 HA3 GLY A 75 9.334 3.175 -0.284 1.00 2.75 H new ATOM 1120 N LYS A 76 12.129 2.286 -1.816 1.00 1.84 N ATOM 1121 CA LYS A 76 12.736 2.056 -3.117 1.00 1.73 C ATOM 1122 C LYS A 76 12.287 0.694 -3.649 1.00 1.70 C ATOM 1123 O LYS A 76 11.823 -0.152 -2.887 1.00 1.95 O ATOM 1124 CB LYS A 76 14.256 2.215 -3.036 1.00 2.20 C ATOM 1125 CG LYS A 76 14.659 3.686 -3.156 1.00 3.11 C ATOM 1126 CD LYS A 76 14.462 4.420 -1.829 1.00 3.45 C ATOM 1127 CE LYS A 76 14.799 5.906 -1.969 1.00 4.20 C ATOM 1128 NZ LYS A 76 16.228 6.084 -2.312 1.00 4.61 N ATOM 0 H LYS A 76 12.769 2.204 -1.026 1.00 1.84 H new ATOM 0 HA LYS A 76 12.399 2.806 -3.833 1.00 1.73 H new ATOM 0 HB2 LYS A 76 14.618 1.811 -2.091 1.00 2.20 H new ATOM 0 HB3 LYS A 76 14.729 1.638 -3.831 1.00 2.20 H new ATOM 0 HG2 LYS A 76 15.702 3.757 -3.463 1.00 3.11 H new ATOM 0 HG3 LYS A 76 14.065 4.167 -3.933 1.00 3.11 H new ATOM 0 HD2 LYS A 76 13.430 4.307 -1.497 1.00 3.45 H new ATOM 0 HD3 LYS A 76 15.094 3.971 -1.063 1.00 3.45 H new ATOM 0 HE2 LYS A 76 14.175 6.355 -2.742 1.00 4.20 H new ATOM 0 HE3 LYS A 76 14.575 6.425 -1.037 1.00 4.20 H new ATOM 0 HZ1 LYS A 76 16.599 6.926 -1.827 1.00 4.61 H new ATOM 0 HZ2 LYS A 76 16.765 5.246 -2.010 1.00 4.61 H new ATOM 0 HZ3 LYS A 76 16.326 6.206 -3.340 1.00 4.61 H new ATOM 1142 N SER A 77 12.443 0.524 -4.954 1.00 1.80 N ATOM 1143 CA SER A 77 11.961 -0.676 -5.615 1.00 1.97 C ATOM 1144 C SER A 77 13.141 -1.564 -6.015 1.00 2.31 C ATOM 1145 O SER A 77 13.492 -1.643 -7.191 1.00 3.96 O ATOM 1146 CB SER A 77 11.118 -0.328 -6.844 1.00 2.04 C ATOM 1147 OG SER A 77 10.667 -1.493 -7.529 1.00 2.81 O ATOM 0 H SER A 77 12.897 1.198 -5.571 1.00 1.80 H new ATOM 0 HA SER A 77 11.327 -1.220 -4.915 1.00 1.97 H new ATOM 0 HB2 SER A 77 10.258 0.268 -6.537 1.00 2.04 H new ATOM 0 HB3 SER A 77 11.706 0.288 -7.524 1.00 2.04 H new ATOM 0 HG SER A 77 10.131 -1.229 -8.306 1.00 2.81 H new ATOM 1153 N ILE A 78 13.722 -2.209 -5.014 1.00 1.27 N ATOM 1154 CA ILE A 78 14.801 -3.151 -5.256 1.00 1.55 C ATOM 1155 C ILE A 78 15.698 -2.615 -6.373 1.00 1.75 C ATOM 1156 O ILE A 78 16.691 -1.940 -6.108 1.00 2.62 O ATOM 1157 CB ILE A 78 14.241 -4.547 -5.531 1.00 1.97 C ATOM 1158 CG1 ILE A 78 12.793 -4.472 -6.020 1.00 2.25 C ATOM 1159 CG2 ILE A 78 14.385 -5.449 -4.304 1.00 2.20 C ATOM 1160 CD1 ILE A 78 12.233 -5.868 -6.294 1.00 2.46 C ATOM 0 H ILE A 78 13.465 -2.097 -4.033 1.00 1.27 H new ATOM 0 HA ILE A 78 15.425 -3.254 -4.368 1.00 1.55 H new ATOM 0 HB ILE A 78 14.828 -4.997 -6.332 1.00 1.97 H new ATOM 0 HG12 ILE A 78 12.179 -3.970 -5.272 1.00 2.25 H new ATOM 0 HG13 ILE A 78 12.743 -3.872 -6.928 1.00 2.25 H new ATOM 0 HG21 ILE A 78 13.979 -6.435 -4.528 1.00 2.20 H new ATOM 0 HG22 ILE A 78 15.439 -5.542 -4.042 1.00 2.20 H new ATOM 0 HG23 ILE A 78 13.840 -5.014 -3.466 1.00 2.20 H new ATOM 0 HD11 ILE A 78 11.203 -5.785 -6.640 1.00 2.46 H new ATOM 0 HD12 ILE A 78 12.835 -6.358 -7.060 1.00 2.46 H new ATOM 0 HD13 ILE A 78 12.262 -6.458 -5.378 1.00 2.46 H new ATOM 1172 N TYR A 79 15.316 -2.938 -7.601 1.00 1.59 N ATOM 1173 CA TYR A 79 16.215 -2.780 -8.731 1.00 1.68 C ATOM 1174 C TYR A 79 16.532 -1.303 -8.978 1.00 1.67 C ATOM 1175 O TYR A 79 17.437 -0.978 -9.743 1.00 1.81 O ATOM 1176 CB TYR A 79 15.471 -3.339 -9.944 1.00 2.01 C ATOM 1177 CG TYR A 79 15.248 -4.852 -9.894 1.00 2.15 C ATOM 1178 CD1 TYR A 79 16.316 -5.713 -10.042 1.00 3.80 C ATOM 1179 CD2 TYR A 79 13.977 -5.356 -9.700 1.00 1.85 C ATOM 1180 CE1 TYR A 79 16.106 -7.136 -9.995 1.00 4.14 C ATOM 1181 CE2 TYR A 79 13.767 -6.780 -9.654 1.00 2.13 C ATOM 1182 CZ TYR A 79 14.842 -7.599 -9.804 1.00 2.87 C ATOM 1183 OH TYR A 79 14.644 -8.944 -9.759 1.00 3.35 O ATOM 0 H TYR A 79 14.395 -3.308 -7.837 1.00 1.59 H new ATOM 0 HA TYR A 79 17.158 -3.295 -8.545 1.00 1.68 H new ATOM 0 HB2 TYR A 79 14.504 -2.842 -10.025 1.00 2.01 H new ATOM 0 HB3 TYR A 79 16.032 -3.094 -10.846 1.00 2.01 H new ATOM 0 HD1 TYR A 79 17.310 -5.319 -10.193 1.00 3.80 H new ATOM 0 HD2 TYR A 79 13.141 -4.683 -9.583 1.00 1.85 H new ATOM 0 HE1 TYR A 79 16.934 -7.820 -10.109 1.00 4.14 H new ATOM 0 HE2 TYR A 79 12.778 -7.188 -9.504 1.00 2.13 H new ATOM 0 HH TYR A 79 13.693 -9.130 -9.616 1.00 3.35 H new ATOM 1193 N GLY A 80 15.766 -0.448 -8.314 1.00 1.83 N ATOM 1194 CA GLY A 80 15.981 0.985 -8.418 1.00 2.16 C ATOM 1195 C GLY A 80 14.908 1.757 -7.648 1.00 2.02 C ATOM 1196 O GLY A 80 14.044 1.158 -7.011 1.00 2.82 O ATOM 0 H GLY A 80 14.996 -0.721 -7.703 1.00 1.83 H new ATOM 0 HA2 GLY A 80 16.967 1.238 -8.028 1.00 2.16 H new ATOM 0 HA3 GLY A 80 15.967 1.283 -9.466 1.00 2.16 H new ATOM 1200 N GLU A 81 14.998 3.077 -7.734 1.00 2.00 N ATOM 1201 CA GLU A 81 14.028 3.937 -7.076 1.00 1.80 C ATOM 1202 C GLU A 81 12.677 3.855 -7.789 1.00 1.71 C ATOM 1203 O GLU A 81 11.629 3.931 -7.151 1.00 1.68 O ATOM 1204 CB GLU A 81 14.529 5.381 -7.016 1.00 1.90 C ATOM 1205 CG GLU A 81 15.861 5.470 -6.268 1.00 2.22 C ATOM 1206 CD GLU A 81 16.101 6.885 -5.740 1.00 2.35 C ATOM 1207 OE1 GLU A 81 15.678 7.831 -6.440 1.00 2.70 O ATOM 1208 OE2 GLU A 81 16.702 6.990 -4.649 1.00 3.21 O ATOM 0 H GLU A 81 15.727 3.571 -8.249 1.00 2.00 H new ATOM 0 HA GLU A 81 13.898 3.589 -6.051 1.00 1.80 H new ATOM 0 HB2 GLU A 81 14.649 5.770 -8.027 1.00 1.90 H new ATOM 0 HB3 GLU A 81 13.787 6.007 -6.520 1.00 1.90 H new ATOM 0 HG2 GLU A 81 15.864 4.763 -5.438 1.00 2.22 H new ATOM 0 HG3 GLU A 81 16.675 5.184 -6.933 1.00 2.22 H new ATOM 1215 N LYS A 82 12.746 3.700 -9.103 1.00 1.79 N ATOM 1216 CA LYS A 82 11.548 3.741 -9.925 1.00 1.83 C ATOM 1217 C LYS A 82 11.678 2.722 -11.059 1.00 1.99 C ATOM 1218 O LYS A 82 12.775 2.250 -11.351 1.00 2.21 O ATOM 1219 CB LYS A 82 11.277 5.167 -10.408 1.00 1.79 C ATOM 1220 CG LYS A 82 11.555 6.183 -9.298 1.00 2.06 C ATOM 1221 CD LYS A 82 11.365 7.614 -9.804 1.00 2.70 C ATOM 1222 CE LYS A 82 11.732 8.632 -8.722 1.00 3.59 C ATOM 1223 NZ LYS A 82 13.180 8.567 -8.420 1.00 3.88 N ATOM 0 H LYS A 82 13.612 3.546 -9.619 1.00 1.79 H new ATOM 0 HA LYS A 82 10.674 3.457 -9.339 1.00 1.83 H new ATOM 0 HB2 LYS A 82 11.903 5.387 -11.273 1.00 1.79 H new ATOM 0 HB3 LYS A 82 10.241 5.254 -10.734 1.00 1.79 H new ATOM 0 HG2 LYS A 82 10.887 5.999 -8.457 1.00 2.06 H new ATOM 0 HG3 LYS A 82 12.573 6.056 -8.930 1.00 2.06 H new ATOM 0 HD2 LYS A 82 11.984 7.777 -10.686 1.00 2.70 H new ATOM 0 HD3 LYS A 82 10.329 7.761 -10.110 1.00 2.70 H new ATOM 0 HE2 LYS A 82 11.468 9.636 -9.054 1.00 3.59 H new ATOM 0 HE3 LYS A 82 11.156 8.434 -7.818 1.00 3.59 H new ATOM 0 HZ1 LYS A 82 13.468 9.429 -7.915 1.00 3.88 H new ATOM 0 HZ2 LYS A 82 13.374 7.736 -7.825 1.00 3.88 H new ATOM 0 HZ3 LYS A 82 13.717 8.490 -9.308 1.00 3.88 H new ATOM 1237 N PHE A 83 10.542 2.414 -11.668 1.00 1.95 N ATOM 1238 CA PHE A 83 10.533 1.576 -12.854 1.00 2.23 C ATOM 1239 C PHE A 83 9.162 1.600 -13.532 1.00 2.00 C ATOM 1240 O PHE A 83 8.180 2.045 -12.939 1.00 1.68 O ATOM 1241 CB PHE A 83 10.837 0.147 -12.396 1.00 2.41 C ATOM 1242 CG PHE A 83 9.642 -0.572 -11.769 1.00 1.92 C ATOM 1243 CD1 PHE A 83 9.269 -0.286 -10.492 1.00 1.94 C ATOM 1244 CD2 PHE A 83 8.952 -1.498 -12.487 1.00 2.63 C ATOM 1245 CE1 PHE A 83 8.159 -0.955 -9.910 1.00 1.97 C ATOM 1246 CE2 PHE A 83 7.843 -2.167 -11.905 1.00 2.42 C ATOM 1247 CZ PHE A 83 7.470 -1.880 -10.629 1.00 1.67 C ATOM 0 H PHE A 83 9.622 2.730 -11.362 1.00 1.95 H new ATOM 0 HA PHE A 83 11.270 1.939 -13.571 1.00 2.23 H new ATOM 0 HB2 PHE A 83 11.188 -0.431 -13.251 1.00 2.41 H new ATOM 0 HB3 PHE A 83 11.652 0.174 -11.673 1.00 2.41 H new ATOM 0 HD1 PHE A 83 9.817 0.449 -9.921 1.00 1.94 H new ATOM 0 HD2 PHE A 83 9.248 -1.725 -13.501 1.00 2.63 H new ATOM 0 HE1 PHE A 83 7.863 -0.729 -8.896 1.00 1.97 H new ATOM 0 HE2 PHE A 83 7.296 -2.903 -12.475 1.00 2.42 H new ATOM 0 HZ PHE A 83 6.626 -2.388 -10.187 1.00 1.67 H new ATOM 1257 N GLU A 84 9.137 1.115 -14.766 1.00 2.26 N ATOM 1258 CA GLU A 84 7.946 1.226 -15.590 1.00 2.19 C ATOM 1259 C GLU A 84 6.862 0.269 -15.089 1.00 1.75 C ATOM 1260 O GLU A 84 7.164 -0.724 -14.428 1.00 1.74 O ATOM 1261 CB GLU A 84 8.272 0.963 -17.062 1.00 2.68 C ATOM 1262 CG GLU A 84 9.585 1.640 -17.462 1.00 3.55 C ATOM 1263 CD GLU A 84 9.547 2.088 -18.925 1.00 5.07 C ATOM 1264 OE1 GLU A 84 9.732 1.207 -19.793 1.00 5.17 O ATOM 1265 OE2 GLU A 84 9.334 3.299 -19.142 1.00 6.56 O ATOM 0 H GLU A 84 9.923 0.644 -15.214 1.00 2.26 H new ATOM 0 HA GLU A 84 7.567 2.245 -15.512 1.00 2.19 H new ATOM 0 HB2 GLU A 84 8.344 -0.111 -17.236 1.00 2.68 H new ATOM 0 HB3 GLU A 84 7.462 1.334 -17.690 1.00 2.68 H new ATOM 0 HG2 GLU A 84 9.765 2.501 -16.819 1.00 3.55 H new ATOM 0 HG3 GLU A 84 10.415 0.950 -17.311 1.00 3.55 H new ATOM 1272 N ASP A 85 5.624 0.603 -15.421 1.00 1.71 N ATOM 1273 CA ASP A 85 4.499 -0.243 -15.060 1.00 1.40 C ATOM 1274 C ASP A 85 4.503 -1.494 -15.942 1.00 1.30 C ATOM 1275 O ASP A 85 5.130 -1.510 -17.000 1.00 2.05 O ATOM 1276 CB ASP A 85 3.171 0.484 -15.278 1.00 1.60 C ATOM 1277 CG ASP A 85 2.974 1.065 -16.680 1.00 2.79 C ATOM 1278 OD1 ASP A 85 3.790 1.934 -17.054 1.00 3.39 O ATOM 1279 OD2 ASP A 85 2.011 0.626 -17.345 1.00 4.33 O ATOM 0 H ASP A 85 5.375 1.448 -15.936 1.00 1.71 H new ATOM 0 HA ASP A 85 4.599 -0.505 -14.007 1.00 1.40 H new ATOM 0 HB2 ASP A 85 2.356 -0.210 -15.071 1.00 1.60 H new ATOM 0 HB3 ASP A 85 3.093 1.293 -14.552 1.00 1.60 H new ATOM 1284 N GLU A 86 3.797 -2.512 -15.473 1.00 0.90 N ATOM 1285 CA GLU A 86 3.721 -3.768 -16.199 1.00 0.81 C ATOM 1286 C GLU A 86 2.591 -3.718 -17.230 1.00 0.86 C ATOM 1287 O GLU A 86 2.838 -3.800 -18.431 1.00 1.04 O ATOM 1288 CB GLU A 86 3.536 -4.945 -15.240 1.00 0.86 C ATOM 1289 CG GLU A 86 4.648 -4.976 -14.188 1.00 1.86 C ATOM 1290 CD GLU A 86 5.983 -5.383 -14.813 1.00 2.84 C ATOM 1291 OE1 GLU A 86 6.612 -4.498 -15.433 1.00 4.04 O ATOM 1292 OE2 GLU A 86 6.345 -6.569 -14.658 1.00 3.45 O ATOM 0 H GLU A 86 3.272 -2.493 -14.599 1.00 0.90 H new ATOM 0 HA GLU A 86 4.662 -3.917 -16.728 1.00 0.81 H new ATOM 0 HB2 GLU A 86 2.567 -4.868 -14.747 1.00 0.86 H new ATOM 0 HB3 GLU A 86 3.535 -5.879 -15.801 1.00 0.86 H new ATOM 0 HG2 GLU A 86 4.743 -3.994 -13.726 1.00 1.86 H new ATOM 0 HG3 GLU A 86 4.385 -5.677 -13.396 1.00 1.86 H new ATOM 1299 N ASN A 87 1.375 -3.583 -16.721 1.00 0.82 N ATOM 1300 CA ASN A 87 0.207 -3.512 -17.583 1.00 0.89 C ATOM 1301 C ASN A 87 -1.039 -3.278 -16.726 1.00 0.96 C ATOM 1302 O ASN A 87 -1.040 -3.566 -15.531 1.00 1.22 O ATOM 1303 CB ASN A 87 0.012 -4.819 -18.355 1.00 0.93 C ATOM 1304 CG ASN A 87 0.619 -6.000 -17.596 1.00 1.16 C ATOM 1305 OD1 ASN A 87 1.625 -6.570 -17.986 1.00 2.73 O ATOM 1306 ND2 ASN A 87 -0.044 -6.333 -16.493 1.00 1.25 N ATOM 0 H ASN A 87 1.173 -3.521 -15.723 1.00 0.82 H new ATOM 0 HA ASN A 87 0.357 -2.695 -18.289 1.00 0.89 H new ATOM 0 HB2 ASN A 87 -1.051 -4.994 -18.517 1.00 0.93 H new ATOM 0 HB3 ASN A 87 0.475 -4.737 -19.338 1.00 0.93 H new ATOM 0 HD21 ASN A 87 0.283 -7.108 -15.916 1.00 1.25 H new ATOM 0 HD22 ASN A 87 -0.880 -5.814 -16.224 1.00 1.25 H new ATOM 1313 N PHE A 88 -2.073 -2.757 -17.372 1.00 0.83 N ATOM 1314 CA PHE A 88 -3.327 -2.495 -16.689 1.00 0.88 C ATOM 1315 C PHE A 88 -4.362 -3.577 -17.008 1.00 0.93 C ATOM 1316 O PHE A 88 -5.510 -3.269 -17.325 1.00 1.06 O ATOM 1317 CB PHE A 88 -3.842 -1.148 -17.199 1.00 1.01 C ATOM 1318 CG PHE A 88 -2.838 -0.003 -17.053 1.00 1.03 C ATOM 1319 CD1 PHE A 88 -2.460 0.418 -15.817 1.00 1.67 C ATOM 1320 CD2 PHE A 88 -2.324 0.595 -18.161 1.00 2.07 C ATOM 1321 CE1 PHE A 88 -1.528 1.480 -15.682 1.00 1.67 C ATOM 1322 CE2 PHE A 88 -1.391 1.658 -18.026 1.00 2.16 C ATOM 1323 CZ PHE A 88 -1.014 2.078 -16.789 1.00 1.20 C ATOM 0 H PHE A 88 -2.067 -2.510 -18.362 1.00 0.83 H new ATOM 0 HA PHE A 88 -3.168 -2.488 -15.611 1.00 0.88 H new ATOM 0 HB2 PHE A 88 -4.113 -1.248 -18.250 1.00 1.01 H new ATOM 0 HB3 PHE A 88 -4.753 -0.890 -16.658 1.00 1.01 H new ATOM 0 HD1 PHE A 88 -2.869 -0.056 -14.937 1.00 1.67 H new ATOM 0 HD2 PHE A 88 -2.625 0.262 -19.143 1.00 2.07 H new ATOM 0 HE1 PHE A 88 -1.227 1.813 -14.700 1.00 1.67 H new ATOM 0 HE2 PHE A 88 -0.981 2.132 -18.906 1.00 2.16 H new ATOM 0 HZ PHE A 88 -0.306 2.887 -16.686 1.00 1.20 H new ATOM 1333 N ILE A 89 -3.917 -4.822 -16.914 1.00 0.89 N ATOM 1334 CA ILE A 89 -4.817 -5.951 -17.075 1.00 1.00 C ATOM 1335 C ILE A 89 -5.864 -5.926 -15.960 1.00 0.96 C ATOM 1336 O ILE A 89 -6.991 -6.383 -16.151 1.00 1.22 O ATOM 1337 CB ILE A 89 -4.027 -7.259 -17.147 1.00 1.03 C ATOM 1338 CG1 ILE A 89 -3.238 -7.353 -18.454 1.00 1.11 C ATOM 1339 CG2 ILE A 89 -4.944 -8.466 -16.943 1.00 1.16 C ATOM 1340 CD1 ILE A 89 -2.137 -8.412 -18.356 1.00 1.11 C ATOM 0 H ILE A 89 -2.946 -5.073 -16.729 1.00 0.89 H new ATOM 0 HA ILE A 89 -5.355 -5.878 -18.020 1.00 1.00 H new ATOM 0 HB ILE A 89 -3.302 -7.264 -16.333 1.00 1.03 H new ATOM 0 HG12 ILE A 89 -3.913 -7.600 -19.273 1.00 1.11 H new ATOM 0 HG13 ILE A 89 -2.796 -6.384 -18.686 1.00 1.11 H new ATOM 0 HG21 ILE A 89 -4.357 -9.383 -16.999 1.00 1.16 H new ATOM 0 HG22 ILE A 89 -5.421 -8.400 -15.965 1.00 1.16 H new ATOM 0 HG23 ILE A 89 -5.709 -8.477 -17.719 1.00 1.16 H new ATOM 0 HD11 ILE A 89 -1.592 -8.458 -19.299 1.00 1.11 H new ATOM 0 HD12 ILE A 89 -1.450 -8.149 -17.552 1.00 1.11 H new ATOM 0 HD13 ILE A 89 -2.584 -9.384 -18.148 1.00 1.11 H new ATOM 1352 N LEU A 90 -5.457 -5.386 -14.821 1.00 0.70 N ATOM 1353 CA LEU A 90 -6.343 -5.304 -13.672 1.00 0.64 C ATOM 1354 C LEU A 90 -7.237 -4.070 -13.810 1.00 0.73 C ATOM 1355 O LEU A 90 -7.024 -3.240 -14.692 1.00 1.03 O ATOM 1356 CB LEU A 90 -5.539 -5.339 -12.372 1.00 0.55 C ATOM 1357 CG LEU A 90 -4.665 -6.577 -12.156 1.00 0.94 C ATOM 1358 CD1 LEU A 90 -5.442 -7.857 -12.472 1.00 1.33 C ATOM 1359 CD2 LEU A 90 -3.368 -6.480 -12.960 1.00 2.49 C ATOM 0 H LEU A 90 -4.525 -5.001 -14.669 1.00 0.70 H new ATOM 0 HA LEU A 90 -7.001 -6.172 -13.636 1.00 0.64 H new ATOM 0 HB2 LEU A 90 -4.899 -4.457 -12.340 1.00 0.55 H new ATOM 0 HB3 LEU A 90 -6.234 -5.259 -11.536 1.00 0.55 H new ATOM 0 HG LEU A 90 -4.387 -6.620 -11.103 1.00 0.94 H new ATOM 0 HD11 LEU A 90 -4.799 -8.722 -12.311 1.00 1.33 H new ATOM 0 HD12 LEU A 90 -6.312 -7.925 -11.819 1.00 1.33 H new ATOM 0 HD13 LEU A 90 -5.769 -7.837 -13.512 1.00 1.33 H new ATOM 0 HD21 LEU A 90 -2.766 -7.372 -12.788 1.00 2.49 H new ATOM 0 HD22 LEU A 90 -3.603 -6.400 -14.021 1.00 2.49 H new ATOM 0 HD23 LEU A 90 -2.809 -5.599 -12.644 1.00 2.49 H new ATOM 1371 N LYS A 91 -8.219 -3.989 -12.924 1.00 0.69 N ATOM 1372 CA LYS A 91 -9.137 -2.863 -12.926 1.00 0.80 C ATOM 1373 C LYS A 91 -9.433 -2.450 -11.482 1.00 0.67 C ATOM 1374 O LYS A 91 -8.934 -3.065 -10.542 1.00 0.54 O ATOM 1375 CB LYS A 91 -10.390 -3.193 -13.740 1.00 1.06 C ATOM 1376 CG LYS A 91 -10.192 -2.839 -15.216 1.00 1.23 C ATOM 1377 CD LYS A 91 -11.465 -3.114 -16.020 1.00 1.55 C ATOM 1378 CE LYS A 91 -12.625 -2.247 -15.524 1.00 1.74 C ATOM 1379 NZ LYS A 91 -12.194 -0.838 -15.384 1.00 2.77 N ATOM 0 H LYS A 91 -8.399 -4.685 -12.200 1.00 0.69 H new ATOM 0 HA LYS A 91 -8.683 -2.003 -13.418 1.00 0.80 H new ATOM 0 HB2 LYS A 91 -10.622 -4.254 -13.644 1.00 1.06 H new ATOM 0 HB3 LYS A 91 -11.243 -2.643 -13.341 1.00 1.06 H new ATOM 0 HG2 LYS A 91 -9.919 -1.788 -15.308 1.00 1.23 H new ATOM 0 HG3 LYS A 91 -9.366 -3.420 -15.626 1.00 1.23 H new ATOM 0 HD2 LYS A 91 -11.283 -2.914 -17.076 1.00 1.55 H new ATOM 0 HD3 LYS A 91 -11.732 -4.167 -15.936 1.00 1.55 H new ATOM 0 HE2 LYS A 91 -13.459 -2.311 -16.222 1.00 1.74 H new ATOM 0 HE3 LYS A 91 -12.983 -2.621 -14.565 1.00 1.74 H new ATOM 0 HZ1 LYS A 91 -13.026 -0.215 -15.416 1.00 2.77 H new ATOM 0 HZ2 LYS A 91 -11.704 -0.714 -14.475 1.00 2.77 H new ATOM 0 HZ3 LYS A 91 -11.549 -0.593 -16.162 1.00 2.77 H new ATOM 1393 N HIS A 92 -10.244 -1.410 -11.353 1.00 0.77 N ATOM 1394 CA HIS A 92 -10.605 -0.902 -10.040 1.00 0.64 C ATOM 1395 C HIS A 92 -12.080 -1.196 -9.763 1.00 0.62 C ATOM 1396 O HIS A 92 -12.946 -0.371 -10.050 1.00 0.70 O ATOM 1397 CB HIS A 92 -10.265 0.585 -9.922 1.00 0.69 C ATOM 1398 CG HIS A 92 -8.789 0.888 -10.022 1.00 0.83 C ATOM 1399 ND1 HIS A 92 -8.160 1.827 -9.224 1.00 1.09 N ATOM 1400 CD2 HIS A 92 -7.825 0.365 -10.833 1.00 2.31 C ATOM 1401 CE1 HIS A 92 -6.877 1.861 -9.549 1.00 0.75 C ATOM 1402 NE2 HIS A 92 -6.670 0.954 -10.547 1.00 1.84 N ATOM 0 H HIS A 92 -10.661 -0.906 -12.135 1.00 0.77 H new ATOM 0 HA HIS A 92 -10.019 -1.412 -9.275 1.00 0.64 H new ATOM 0 HB2 HIS A 92 -10.791 1.131 -10.705 1.00 0.69 H new ATOM 0 HB3 HIS A 92 -10.638 0.958 -8.968 1.00 0.69 H new ATOM 0 HD1 HIS A 92 -8.609 2.397 -8.507 1.00 1.09 H new ATOM 0 HD2 HIS A 92 -7.976 -0.399 -11.581 1.00 2.31 H new ATOM 0 HE1 HIS A 92 -6.126 2.496 -9.102 1.00 0.75 H new ATOM 1410 N THR A 93 -12.322 -2.376 -9.208 1.00 0.59 N ATOM 1411 CA THR A 93 -13.680 -2.808 -8.931 1.00 0.67 C ATOM 1412 C THR A 93 -14.307 -1.934 -7.843 1.00 0.58 C ATOM 1413 O THR A 93 -15.459 -1.520 -7.960 1.00 0.63 O ATOM 1414 CB THR A 93 -13.638 -4.294 -8.568 1.00 0.77 C ATOM 1415 OG1 THR A 93 -12.493 -4.414 -7.728 1.00 0.61 O ATOM 1416 CG2 THR A 93 -13.314 -5.182 -9.770 1.00 0.96 C ATOM 0 H THR A 93 -11.599 -3.045 -8.943 1.00 0.59 H new ATOM 0 HA THR A 93 -14.319 -2.690 -9.806 1.00 0.67 H new ATOM 0 HB THR A 93 -14.598 -4.592 -8.146 1.00 0.77 H new ATOM 0 HG1 THR A 93 -12.391 -5.347 -7.445 1.00 0.61 H new ATOM 0 HG21 THR A 93 -13.297 -6.226 -9.457 1.00 0.96 H new ATOM 0 HG22 THR A 93 -14.075 -5.046 -10.538 1.00 0.96 H new ATOM 0 HG23 THR A 93 -12.339 -4.908 -10.173 1.00 0.96 H new ATOM 1424 N GLY A 94 -13.520 -1.677 -6.808 1.00 0.58 N ATOM 1425 CA GLY A 94 -13.989 -0.876 -5.692 1.00 0.55 C ATOM 1426 C GLY A 94 -13.004 -0.934 -4.522 1.00 0.50 C ATOM 1427 O GLY A 94 -11.792 -0.882 -4.725 1.00 0.46 O ATOM 0 H GLY A 94 -12.560 -2.010 -6.720 1.00 0.58 H new ATOM 0 HA2 GLY A 94 -14.119 0.158 -6.011 1.00 0.55 H new ATOM 0 HA3 GLY A 94 -14.966 -1.235 -5.368 1.00 0.55 H new ATOM 1431 N PRO A 95 -13.576 -1.044 -3.293 1.00 0.57 N ATOM 1432 CA PRO A 95 -12.762 -1.096 -2.090 1.00 0.60 C ATOM 1433 C PRO A 95 -12.094 -2.463 -1.940 1.00 0.63 C ATOM 1434 O PRO A 95 -12.561 -3.453 -2.503 1.00 0.67 O ATOM 1435 CB PRO A 95 -13.718 -0.773 -0.954 1.00 0.71 C ATOM 1436 CG PRO A 95 -15.115 -1.010 -1.505 1.00 0.75 C ATOM 1437 CD PRO A 95 -15.007 -1.121 -3.017 1.00 0.67 C ATOM 0 HA PRO A 95 -11.935 -0.386 -2.110 1.00 0.60 H new ATOM 0 HB2 PRO A 95 -13.526 -1.408 -0.089 1.00 0.71 H new ATOM 0 HB3 PRO A 95 -13.598 0.259 -0.624 1.00 0.71 H new ATOM 0 HG2 PRO A 95 -15.542 -1.921 -1.085 1.00 0.75 H new ATOM 0 HG3 PRO A 95 -15.778 -0.190 -1.229 1.00 0.75 H new ATOM 0 HD2 PRO A 95 -15.430 -2.059 -3.376 1.00 0.67 H new ATOM 0 HD3 PRO A 95 -15.550 -0.316 -3.513 1.00 0.67 H new ATOM 1445 N GLY A 96 -11.010 -2.477 -1.178 1.00 0.65 N ATOM 1446 CA GLY A 96 -10.291 -3.713 -0.919 1.00 0.68 C ATOM 1447 C GLY A 96 -9.436 -4.112 -2.124 1.00 0.61 C ATOM 1448 O GLY A 96 -9.227 -5.297 -2.376 1.00 0.80 O ATOM 0 H GLY A 96 -10.612 -1.651 -0.731 1.00 0.65 H new ATOM 0 HA2 GLY A 96 -9.656 -3.591 -0.042 1.00 0.68 H new ATOM 0 HA3 GLY A 96 -11.000 -4.509 -0.691 1.00 0.68 H new ATOM 1452 N ILE A 97 -8.964 -3.099 -2.835 1.00 0.51 N ATOM 1453 CA ILE A 97 -8.175 -3.328 -4.033 1.00 0.46 C ATOM 1454 C ILE A 97 -6.806 -2.665 -3.872 1.00 0.44 C ATOM 1455 O ILE A 97 -6.719 -1.473 -3.585 1.00 0.54 O ATOM 1456 CB ILE A 97 -8.939 -2.866 -5.276 1.00 0.55 C ATOM 1457 CG1 ILE A 97 -10.096 -3.817 -5.594 1.00 0.97 C ATOM 1458 CG2 ILE A 97 -7.995 -2.693 -6.468 1.00 0.77 C ATOM 1459 CD1 ILE A 97 -9.602 -5.042 -6.365 1.00 0.84 C ATOM 0 H ILE A 97 -9.113 -2.117 -2.604 1.00 0.51 H new ATOM 0 HA ILE A 97 -7.999 -4.394 -4.174 1.00 0.46 H new ATOM 0 HB ILE A 97 -9.374 -1.889 -5.066 1.00 0.55 H new ATOM 0 HG12 ILE A 97 -10.575 -4.135 -4.668 1.00 0.97 H new ATOM 0 HG13 ILE A 97 -10.851 -3.294 -6.181 1.00 0.97 H new ATOM 0 HG21 ILE A 97 -8.564 -2.364 -7.338 1.00 0.77 H new ATOM 0 HG22 ILE A 97 -7.237 -1.947 -6.227 1.00 0.77 H new ATOM 0 HG23 ILE A 97 -7.511 -3.644 -6.690 1.00 0.77 H new ATOM 0 HD11 ILE A 97 -10.443 -5.701 -6.578 1.00 0.84 H new ATOM 0 HD12 ILE A 97 -9.145 -4.722 -7.302 1.00 0.84 H new ATOM 0 HD13 ILE A 97 -8.865 -5.576 -5.765 1.00 0.84 H new ATOM 1471 N LEU A 98 -5.769 -3.467 -4.063 1.00 0.46 N ATOM 1472 CA LEU A 98 -4.410 -2.997 -3.854 1.00 0.52 C ATOM 1473 C LEU A 98 -3.938 -2.248 -5.102 1.00 0.49 C ATOM 1474 O LEU A 98 -3.408 -2.854 -6.032 1.00 0.55 O ATOM 1475 CB LEU A 98 -3.497 -4.158 -3.452 1.00 0.70 C ATOM 1476 CG LEU A 98 -2.143 -3.770 -2.856 1.00 0.93 C ATOM 1477 CD1 LEU A 98 -2.301 -3.253 -1.425 1.00 0.99 C ATOM 1478 CD2 LEU A 98 -1.152 -4.933 -2.939 1.00 1.88 C ATOM 0 H LEU A 98 -5.843 -4.440 -4.360 1.00 0.46 H new ATOM 0 HA LEU A 98 -4.374 -2.291 -3.024 1.00 0.52 H new ATOM 0 HB2 LEU A 98 -4.027 -4.777 -2.728 1.00 0.70 H new ATOM 0 HB3 LEU A 98 -3.321 -4.777 -4.332 1.00 0.70 H new ATOM 0 HG LEU A 98 -1.731 -2.954 -3.450 1.00 0.93 H new ATOM 0 HD11 LEU A 98 -1.323 -2.984 -1.025 1.00 0.99 H new ATOM 0 HD12 LEU A 98 -2.947 -2.375 -1.425 1.00 0.99 H new ATOM 0 HD13 LEU A 98 -2.746 -4.031 -0.804 1.00 0.99 H new ATOM 0 HD21 LEU A 98 -0.198 -4.629 -2.508 1.00 1.88 H new ATOM 0 HD22 LEU A 98 -1.545 -5.786 -2.386 1.00 1.88 H new ATOM 0 HD23 LEU A 98 -1.006 -5.213 -3.982 1.00 1.88 H new ATOM 1490 N SER A 99 -4.147 -0.939 -5.082 1.00 0.71 N ATOM 1491 CA SER A 99 -3.779 -0.105 -6.213 1.00 0.82 C ATOM 1492 C SER A 99 -2.490 0.658 -5.902 1.00 0.87 C ATOM 1493 O SER A 99 -2.103 0.784 -4.741 1.00 0.89 O ATOM 1494 CB SER A 99 -4.902 0.873 -6.564 1.00 0.90 C ATOM 1495 OG SER A 99 -6.105 0.197 -6.920 1.00 2.60 O ATOM 0 H SER A 99 -4.567 -0.436 -4.300 1.00 0.71 H new ATOM 0 HA SER A 99 -3.613 -0.751 -7.075 1.00 0.82 H new ATOM 0 HB2 SER A 99 -5.092 1.528 -5.714 1.00 0.90 H new ATOM 0 HB3 SER A 99 -4.585 1.508 -7.391 1.00 0.90 H new ATOM 0 HG SER A 99 -6.838 0.844 -6.980 1.00 2.60 H new ATOM 1501 N MET A 100 -1.859 1.144 -6.960 1.00 0.98 N ATOM 1502 CA MET A 100 -0.563 1.788 -6.829 1.00 1.02 C ATOM 1503 C MET A 100 -0.667 3.292 -7.093 1.00 1.05 C ATOM 1504 O MET A 100 -1.757 3.809 -7.329 1.00 1.53 O ATOM 1505 CB MET A 100 0.421 1.163 -7.819 1.00 1.19 C ATOM 1506 CG MET A 100 1.686 0.680 -7.106 1.00 1.41 C ATOM 1507 SD MET A 100 2.898 0.147 -8.303 1.00 1.94 S ATOM 1508 CE MET A 100 4.393 0.384 -7.358 1.00 1.32 C ATOM 0 H MET A 100 -2.221 1.105 -7.913 1.00 0.98 H new ATOM 0 HA MET A 100 -0.208 1.641 -5.809 1.00 1.02 H new ATOM 0 HB2 MET A 100 -0.055 0.326 -8.330 1.00 1.19 H new ATOM 0 HB3 MET A 100 0.687 1.894 -8.583 1.00 1.19 H new ATOM 0 HG2 MET A 100 2.097 1.483 -6.494 1.00 1.41 H new ATOM 0 HG3 MET A 100 1.442 -0.142 -6.433 1.00 1.41 H new ATOM 0 HE1 MET A 100 5.236 -0.050 -7.896 1.00 1.32 H new ATOM 0 HE2 MET A 100 4.566 1.450 -7.212 1.00 1.32 H new ATOM 0 HE3 MET A 100 4.292 -0.104 -6.388 1.00 1.32 H new ATOM 1518 N ALA A 101 0.482 3.950 -7.043 1.00 1.16 N ATOM 1519 CA ALA A 101 0.529 5.388 -7.242 1.00 1.16 C ATOM 1520 C ALA A 101 1.818 5.756 -7.979 1.00 1.17 C ATOM 1521 O ALA A 101 2.734 4.940 -8.078 1.00 1.59 O ATOM 1522 CB ALA A 101 0.407 6.095 -5.891 1.00 1.19 C ATOM 0 H ALA A 101 1.387 3.514 -6.868 1.00 1.16 H new ATOM 0 HA ALA A 101 -0.308 5.717 -7.859 1.00 1.16 H new ATOM 0 HB1 ALA A 101 0.442 7.174 -6.041 1.00 1.19 H new ATOM 0 HB2 ALA A 101 -0.539 5.824 -5.423 1.00 1.19 H new ATOM 0 HB3 ALA A 101 1.231 5.791 -5.246 1.00 1.19 H new ATOM 1528 N ASN A 102 1.850 6.983 -8.476 1.00 1.37 N ATOM 1529 CA ASN A 102 3.005 7.462 -9.216 1.00 1.45 C ATOM 1530 C ASN A 102 2.938 8.987 -9.326 1.00 1.36 C ATOM 1531 O ASN A 102 1.853 9.562 -9.383 1.00 1.41 O ATOM 1532 CB ASN A 102 3.026 6.887 -10.633 1.00 1.75 C ATOM 1533 CG ASN A 102 1.606 6.644 -11.149 1.00 2.50 C ATOM 1534 OD1 ASN A 102 0.973 7.749 -11.533 1.00 2.87 O flip ATOM 1535 ND2 ASN A 102 1.117 5.527 -11.195 1.00 3.97 N flip ATOM 0 H ASN A 102 1.094 7.661 -8.381 1.00 1.37 H new ATOM 0 HA ASN A 102 3.902 7.146 -8.684 1.00 1.45 H new ATOM 0 HB2 ASN A 102 3.546 7.574 -11.300 1.00 1.75 H new ATOM 0 HB3 ASN A 102 3.584 5.951 -10.641 1.00 1.75 H new ATOM 0 HD21 ASN A 102 1.658 4.720 -10.884 1.00 3.97 H new ATOM 0 HD22 ASN A 102 0.167 5.400 -11.544 1.00 3.97 H new ATOM 1542 N ALA A 103 4.114 9.598 -9.352 1.00 1.34 N ATOM 1543 CA ALA A 103 4.203 11.042 -9.469 1.00 1.36 C ATOM 1544 C ALA A 103 4.613 11.409 -10.898 1.00 1.55 C ATOM 1545 O ALA A 103 5.338 12.380 -11.109 1.00 1.71 O ATOM 1546 CB ALA A 103 5.185 11.581 -8.426 1.00 1.33 C ATOM 0 H ALA A 103 5.012 9.118 -9.294 1.00 1.34 H new ATOM 0 HA ALA A 103 3.234 11.502 -9.274 1.00 1.36 H new ATOM 0 HB1 ALA A 103 5.251 12.665 -8.515 1.00 1.33 H new ATOM 0 HB2 ALA A 103 4.835 11.319 -7.427 1.00 1.33 H new ATOM 0 HB3 ALA A 103 6.169 11.143 -8.592 1.00 1.33 H new ATOM 1552 N GLY A 104 4.130 10.613 -11.840 1.00 1.65 N ATOM 1553 CA GLY A 104 4.456 10.826 -13.240 1.00 1.87 C ATOM 1554 C GLY A 104 4.510 9.498 -13.998 1.00 2.02 C ATOM 1555 O GLY A 104 4.125 8.459 -13.466 1.00 2.07 O ATOM 0 H GLY A 104 3.515 9.819 -11.661 1.00 1.65 H new ATOM 0 HA2 GLY A 104 3.711 11.479 -13.695 1.00 1.87 H new ATOM 0 HA3 GLY A 104 5.417 11.334 -13.320 1.00 1.87 H new ATOM 1559 N PRO A 105 5.003 9.579 -15.263 1.00 2.19 N ATOM 1560 CA PRO A 105 5.147 8.391 -16.088 1.00 2.38 C ATOM 1561 C PRO A 105 6.345 7.552 -15.637 1.00 2.20 C ATOM 1562 O PRO A 105 7.468 8.050 -15.577 1.00 2.02 O ATOM 1563 CB PRO A 105 5.288 8.913 -17.508 1.00 2.65 C ATOM 1564 CG PRO A 105 5.684 10.374 -17.379 1.00 2.55 C ATOM 1565 CD PRO A 105 5.435 10.799 -15.940 1.00 2.27 C ATOM 0 HA PRO A 105 4.294 7.718 -16.009 1.00 2.38 H new ATOM 0 HB2 PRO A 105 6.043 8.351 -18.057 1.00 2.65 H new ATOM 0 HB3 PRO A 105 4.352 8.809 -18.057 1.00 2.65 H new ATOM 0 HG2 PRO A 105 6.733 10.510 -17.641 1.00 2.55 H new ATOM 0 HG3 PRO A 105 5.102 10.989 -18.065 1.00 2.55 H new ATOM 0 HD2 PRO A 105 6.338 11.206 -15.485 1.00 2.27 H new ATOM 0 HD3 PRO A 105 4.672 11.575 -15.883 1.00 2.27 H new ATOM 1573 N ASN A 106 6.064 6.294 -15.332 1.00 2.32 N ATOM 1574 CA ASN A 106 7.122 5.337 -15.056 1.00 2.27 C ATOM 1575 C ASN A 106 7.951 5.828 -13.868 1.00 1.99 C ATOM 1576 O ASN A 106 9.180 5.809 -13.913 1.00 2.03 O ATOM 1577 CB ASN A 106 8.058 5.191 -16.258 1.00 2.37 C ATOM 1578 CG ASN A 106 7.271 5.181 -17.570 1.00 3.69 C ATOM 1579 OD1 ASN A 106 7.366 6.081 -18.387 1.00 4.92 O ATOM 1580 ND2 ASN A 106 6.490 4.116 -17.723 1.00 4.31 N ATOM 0 H ASN A 106 5.119 5.915 -15.270 1.00 2.32 H new ATOM 0 HA ASN A 106 6.659 4.374 -14.840 1.00 2.27 H new ATOM 0 HB2 ASN A 106 8.775 6.012 -16.267 1.00 2.37 H new ATOM 0 HB3 ASN A 106 8.631 4.268 -16.167 1.00 2.37 H new ATOM 0 HD21 ASN A 106 5.923 4.016 -18.565 1.00 4.31 H new ATOM 0 HD22 ASN A 106 6.458 3.399 -16.999 1.00 4.31 H new ATOM 1587 N THR A 107 7.244 6.256 -12.832 1.00 1.78 N ATOM 1588 CA THR A 107 7.892 6.613 -11.581 1.00 1.53 C ATOM 1589 C THR A 107 7.573 5.576 -10.502 1.00 1.42 C ATOM 1590 O THR A 107 8.098 5.649 -9.391 1.00 1.67 O ATOM 1591 CB THR A 107 7.455 8.030 -11.209 1.00 1.44 C ATOM 1592 OG1 THR A 107 6.096 7.882 -10.810 1.00 2.95 O ATOM 1593 CG2 THR A 107 7.389 8.960 -12.423 1.00 2.46 C ATOM 0 H THR A 107 6.230 6.364 -12.833 1.00 1.78 H new ATOM 0 HA THR A 107 8.977 6.609 -11.682 1.00 1.53 H new ATOM 0 HB THR A 107 8.147 8.441 -10.474 1.00 1.44 H new ATOM 0 HG1 THR A 107 5.544 8.543 -11.277 1.00 2.95 H new ATOM 0 HG21 THR A 107 7.074 9.953 -12.104 1.00 2.46 H new ATOM 0 HG22 THR A 107 8.373 9.023 -12.887 1.00 2.46 H new ATOM 0 HG23 THR A 107 6.673 8.566 -13.144 1.00 2.46 H new ATOM 1601 N ASN A 108 6.715 4.634 -10.865 1.00 1.79 N ATOM 1602 CA ASN A 108 6.196 3.682 -9.899 1.00 1.83 C ATOM 1603 C ASN A 108 7.357 2.883 -9.303 1.00 1.90 C ATOM 1604 O ASN A 108 8.186 2.346 -10.035 1.00 2.26 O ATOM 1605 CB ASN A 108 5.234 2.694 -10.562 1.00 2.22 C ATOM 1606 CG ASN A 108 4.083 3.428 -11.254 1.00 3.52 C ATOM 1607 OD1 ASN A 108 2.964 3.476 -10.538 1.00 4.51 O flip ATOM 1608 ND2 ASN A 108 4.205 3.919 -12.364 1.00 4.46 N flip ATOM 0 H ASN A 108 6.366 4.510 -11.815 1.00 1.79 H new ATOM 0 HA ASN A 108 5.665 4.240 -9.127 1.00 1.83 H new ATOM 0 HB2 ASN A 108 5.774 2.089 -11.290 1.00 2.22 H new ATOM 0 HB3 ASN A 108 4.835 2.011 -9.812 1.00 2.22 H new ATOM 0 HD21 ASN A 108 5.094 3.846 -12.859 1.00 4.46 H new ATOM 0 HD22 ASN A 108 3.418 4.403 -12.797 1.00 4.46 H new ATOM 1615 N GLY A 109 7.378 2.830 -7.979 1.00 1.84 N ATOM 1616 CA GLY A 109 8.324 1.978 -7.279 1.00 2.15 C ATOM 1617 C GLY A 109 7.607 1.055 -6.293 1.00 2.14 C ATOM 1618 O GLY A 109 7.392 -0.121 -6.581 1.00 3.31 O ATOM 0 H GLY A 109 6.755 3.363 -7.373 1.00 1.84 H new ATOM 0 HA2 GLY A 109 8.883 1.381 -8.000 1.00 2.15 H new ATOM 0 HA3 GLY A 109 9.047 2.594 -6.745 1.00 2.15 H new ATOM 1622 N SER A 110 7.256 1.623 -5.149 1.00 1.45 N ATOM 1623 CA SER A 110 6.336 0.964 -4.236 1.00 1.73 C ATOM 1624 C SER A 110 5.114 1.852 -3.994 1.00 2.10 C ATOM 1625 O SER A 110 4.148 1.805 -4.753 1.00 3.57 O ATOM 1626 CB SER A 110 7.020 0.629 -2.910 1.00 1.90 C ATOM 1627 OG SER A 110 7.493 1.797 -2.243 1.00 2.79 O ATOM 0 H SER A 110 7.592 2.533 -4.833 1.00 1.45 H new ATOM 0 HA SER A 110 6.013 0.028 -4.692 1.00 1.73 H new ATOM 0 HB2 SER A 110 6.319 0.101 -2.264 1.00 1.90 H new ATOM 0 HB3 SER A 110 7.855 -0.047 -3.093 1.00 1.90 H new ATOM 0 HG SER A 110 8.427 1.960 -2.491 1.00 2.79 H new ATOM 1633 N GLN A 111 5.197 2.641 -2.932 1.00 1.26 N ATOM 1634 CA GLN A 111 4.230 3.702 -2.711 1.00 1.76 C ATOM 1635 C GLN A 111 2.869 3.310 -3.292 1.00 1.82 C ATOM 1636 O GLN A 111 2.495 3.769 -4.370 1.00 2.41 O ATOM 1637 CB GLN A 111 4.720 5.024 -3.307 1.00 2.15 C ATOM 1638 CG GLN A 111 6.002 5.493 -2.617 1.00 2.57 C ATOM 1639 CD GLN A 111 7.231 4.804 -3.216 1.00 3.49 C ATOM 1640 OE1 GLN A 111 7.204 4.276 -4.315 1.00 4.43 O ATOM 1641 NE2 GLN A 111 8.305 4.839 -2.434 1.00 4.22 N ATOM 0 H GLN A 111 5.919 2.566 -2.216 1.00 1.26 H new ATOM 0 HA GLN A 111 4.117 3.845 -1.636 1.00 1.76 H new ATOM 0 HB2 GLN A 111 4.901 4.901 -4.375 1.00 2.15 H new ATOM 0 HB3 GLN A 111 3.946 5.784 -3.201 1.00 2.15 H new ATOM 0 HG2 GLN A 111 6.100 6.574 -2.720 1.00 2.57 H new ATOM 0 HG3 GLN A 111 5.944 5.278 -1.550 1.00 2.57 H new ATOM 0 HE21 GLN A 111 8.259 5.298 -1.524 1.00 4.22 H new ATOM 0 HE22 GLN A 111 9.175 4.407 -2.743 1.00 4.22 H new ATOM 1650 N PHE A 112 2.167 2.465 -2.552 1.00 1.41 N ATOM 1651 CA PHE A 112 0.757 2.235 -2.814 1.00 1.44 C ATOM 1652 C PHE A 112 -0.115 2.905 -1.750 1.00 1.30 C ATOM 1653 O PHE A 112 0.396 3.592 -0.867 1.00 1.54 O ATOM 1654 CB PHE A 112 0.533 0.722 -2.760 1.00 1.63 C ATOM 1655 CG PHE A 112 1.449 -0.008 -1.776 1.00 1.76 C ATOM 1656 CD1 PHE A 112 1.080 -0.139 -0.474 1.00 2.09 C ATOM 1657 CD2 PHE A 112 2.632 -0.525 -2.203 1.00 3.15 C ATOM 1658 CE1 PHE A 112 1.930 -0.816 0.440 1.00 2.30 C ATOM 1659 CE2 PHE A 112 3.482 -1.203 -1.289 1.00 3.69 C ATOM 1660 CZ PHE A 112 3.113 -1.334 0.013 1.00 2.76 C ATOM 0 H PHE A 112 2.548 1.931 -1.771 1.00 1.41 H new ATOM 0 HA PHE A 112 0.486 2.653 -3.784 1.00 1.44 H new ATOM 0 HB2 PHE A 112 -0.504 0.528 -2.487 1.00 1.63 H new ATOM 0 HB3 PHE A 112 0.683 0.307 -3.757 1.00 1.63 H new ATOM 0 HD1 PHE A 112 0.140 0.272 -0.135 1.00 2.09 H new ATOM 0 HD2 PHE A 112 2.925 -0.420 -3.237 1.00 3.15 H new ATOM 0 HE1 PHE A 112 1.637 -0.920 1.474 1.00 2.30 H new ATOM 0 HE2 PHE A 112 4.421 -1.614 -1.628 1.00 3.69 H new ATOM 0 HZ PHE A 112 3.759 -1.849 0.708 1.00 2.76 H new ATOM 1670 N PHE A 113 -1.416 2.681 -1.870 1.00 1.16 N ATOM 1671 CA PHE A 113 -2.358 3.210 -0.900 1.00 1.24 C ATOM 1672 C PHE A 113 -3.653 2.395 -0.891 1.00 1.28 C ATOM 1673 O PHE A 113 -4.718 2.916 -0.565 1.00 2.87 O ATOM 1674 CB PHE A 113 -2.677 4.646 -1.321 1.00 1.69 C ATOM 1675 CG PHE A 113 -1.483 5.598 -1.239 1.00 2.62 C ATOM 1676 CD1 PHE A 113 -1.225 6.270 -0.085 1.00 3.83 C ATOM 1677 CD2 PHE A 113 -0.678 5.774 -2.321 1.00 3.69 C ATOM 1678 CE1 PHE A 113 -0.117 7.154 -0.009 1.00 5.17 C ATOM 1679 CE2 PHE A 113 0.431 6.658 -2.245 1.00 5.22 C ATOM 1680 CZ PHE A 113 0.688 7.330 -1.091 1.00 5.66 C ATOM 0 H PHE A 113 -1.839 2.140 -2.624 1.00 1.16 H new ATOM 0 HA PHE A 113 -1.925 3.166 0.099 1.00 1.24 H new ATOM 0 HB2 PHE A 113 -3.053 4.639 -2.344 1.00 1.69 H new ATOM 0 HB3 PHE A 113 -3.478 5.029 -0.689 1.00 1.69 H new ATOM 0 HD1 PHE A 113 -1.864 6.131 0.775 1.00 3.83 H new ATOM 0 HD2 PHE A 113 -0.882 5.241 -3.238 1.00 3.69 H new ATOM 0 HE1 PHE A 113 0.087 7.687 0.908 1.00 5.17 H new ATOM 0 HE2 PHE A 113 1.071 6.797 -3.104 1.00 5.22 H new ATOM 0 HZ PHE A 113 1.531 8.003 -1.034 1.00 5.66 H new ATOM 1690 N ILE A 114 -3.518 1.128 -1.253 1.00 1.26 N ATOM 1691 CA ILE A 114 -4.674 0.254 -1.367 1.00 1.33 C ATOM 1692 C ILE A 114 -5.818 1.014 -2.043 1.00 1.62 C ATOM 1693 O ILE A 114 -5.583 1.837 -2.926 1.00 3.26 O ATOM 1694 CB ILE A 114 -5.045 -0.324 0.001 1.00 1.15 C ATOM 1695 CG1 ILE A 114 -3.818 -0.405 0.912 1.00 1.26 C ATOM 1696 CG2 ILE A 114 -5.739 -1.679 -0.148 1.00 1.71 C ATOM 1697 CD1 ILE A 114 -4.212 -0.844 2.323 1.00 0.97 C ATOM 0 H ILE A 114 -2.626 0.685 -1.471 1.00 1.26 H new ATOM 0 HA ILE A 114 -4.442 -0.604 -1.999 1.00 1.33 H new ATOM 0 HB ILE A 114 -5.756 0.351 0.477 1.00 1.15 H new ATOM 0 HG12 ILE A 114 -3.097 -1.109 0.496 1.00 1.26 H new ATOM 0 HG13 ILE A 114 -3.326 0.567 0.953 1.00 1.26 H new ATOM 0 HG21 ILE A 114 -5.992 -2.068 0.838 1.00 1.71 H new ATOM 0 HG22 ILE A 114 -6.649 -1.559 -0.736 1.00 1.71 H new ATOM 0 HG23 ILE A 114 -5.071 -2.377 -0.653 1.00 1.71 H new ATOM 0 HD11 ILE A 114 -3.322 -0.894 2.950 1.00 0.97 H new ATOM 0 HD12 ILE A 114 -4.914 -0.125 2.745 1.00 0.97 H new ATOM 0 HD13 ILE A 114 -4.681 -1.827 2.281 1.00 0.97 H new ATOM 1709 N CYS A 115 -7.029 0.710 -1.602 1.00 0.74 N ATOM 1710 CA CYS A 115 -8.199 1.439 -2.065 1.00 0.71 C ATOM 1711 C CYS A 115 -9.378 1.082 -1.158 1.00 0.70 C ATOM 1712 O CYS A 115 -9.660 -0.094 -0.936 1.00 1.00 O ATOM 1713 CB CYS A 115 -8.501 1.147 -3.536 1.00 0.88 C ATOM 1714 SG CYS A 115 -9.146 2.652 -4.354 1.00 1.58 S ATOM 0 H CYS A 115 -7.226 -0.031 -0.929 1.00 0.74 H new ATOM 0 HA CYS A 115 -8.010 2.511 -2.007 1.00 0.71 H new ATOM 0 HB2 CYS A 115 -7.596 0.808 -4.041 1.00 0.88 H new ATOM 0 HB3 CYS A 115 -9.230 0.341 -3.613 1.00 0.88 H new ATOM 0 HG CYS A 115 -10.443 2.593 -4.411 1.00 1.58 H new ATOM 1720 N THR A 116 -10.034 2.119 -0.658 1.00 0.57 N ATOM 1721 CA THR A 116 -11.188 1.929 0.204 1.00 0.67 C ATOM 1722 C THR A 116 -12.452 2.461 -0.473 1.00 0.64 C ATOM 1723 O THR A 116 -13.434 2.776 0.198 1.00 0.73 O ATOM 1724 CB THR A 116 -10.890 2.599 1.547 1.00 0.88 C ATOM 1725 OG1 THR A 116 -9.627 2.061 1.931 1.00 1.32 O ATOM 1726 CG2 THR A 116 -11.841 2.141 2.654 1.00 1.36 C ATOM 0 H THR A 116 -9.788 3.093 -0.833 1.00 0.57 H new ATOM 0 HA THR A 116 -11.376 0.871 0.387 1.00 0.67 H new ATOM 0 HB THR A 116 -10.957 3.681 1.435 1.00 0.88 H new ATOM 0 HG1 THR A 116 -9.357 2.444 2.792 1.00 1.32 H new ATOM 0 HG21 THR A 116 -11.586 2.647 3.585 1.00 1.36 H new ATOM 0 HG22 THR A 116 -12.866 2.386 2.377 1.00 1.36 H new ATOM 0 HG23 THR A 116 -11.750 1.063 2.789 1.00 1.36 H new ATOM 1734 N ALA A 117 -12.387 2.545 -1.793 1.00 0.62 N ATOM 1735 CA ALA A 117 -13.526 3.000 -2.571 1.00 0.64 C ATOM 1736 C ALA A 117 -13.252 2.764 -4.058 1.00 0.70 C ATOM 1737 O ALA A 117 -12.175 2.298 -4.427 1.00 0.74 O ATOM 1738 CB ALA A 117 -13.805 4.472 -2.257 1.00 0.75 C ATOM 0 H ALA A 117 -11.563 2.305 -2.344 1.00 0.62 H new ATOM 0 HA ALA A 117 -14.420 2.435 -2.307 1.00 0.64 H new ATOM 0 HB1 ALA A 117 -14.660 4.813 -2.841 1.00 0.75 H new ATOM 0 HB2 ALA A 117 -14.024 4.582 -1.195 1.00 0.75 H new ATOM 0 HB3 ALA A 117 -12.930 5.070 -2.511 1.00 0.75 H new ATOM 1744 N LYS A 118 -14.243 3.097 -4.871 1.00 0.79 N ATOM 1745 CA LYS A 118 -14.108 2.960 -6.311 1.00 0.93 C ATOM 1746 C LYS A 118 -13.338 4.161 -6.863 1.00 0.86 C ATOM 1747 O LYS A 118 -13.595 5.300 -6.475 1.00 1.11 O ATOM 1748 CB LYS A 118 -15.478 2.757 -6.961 1.00 1.17 C ATOM 1749 CG LYS A 118 -15.338 2.147 -8.358 1.00 1.59 C ATOM 1750 CD LYS A 118 -16.700 2.030 -9.044 1.00 1.63 C ATOM 1751 CE LYS A 118 -16.594 1.220 -10.338 1.00 2.55 C ATOM 1752 NZ LYS A 118 -16.651 -0.230 -10.048 1.00 4.03 N ATOM 0 H LYS A 118 -15.143 3.462 -4.560 1.00 0.79 H new ATOM 0 HA LYS A 118 -13.529 2.069 -6.556 1.00 0.93 H new ATOM 0 HB2 LYS A 118 -16.088 2.106 -6.335 1.00 1.17 H new ATOM 0 HB3 LYS A 118 -15.998 3.713 -7.028 1.00 1.17 H new ATOM 0 HG2 LYS A 118 -14.674 2.764 -8.963 1.00 1.59 H new ATOM 0 HG3 LYS A 118 -14.878 1.161 -8.284 1.00 1.59 H new ATOM 0 HD2 LYS A 118 -17.411 1.553 -8.369 1.00 1.63 H new ATOM 0 HD3 LYS A 118 -17.087 3.025 -9.264 1.00 1.63 H new ATOM 0 HE2 LYS A 118 -17.405 1.494 -11.013 1.00 2.55 H new ATOM 0 HE3 LYS A 118 -15.661 1.458 -10.848 1.00 2.55 H new ATOM 0 HZ1 LYS A 118 -16.101 -0.749 -10.762 1.00 4.03 H new ATOM 0 HZ2 LYS A 118 -16.252 -0.411 -9.105 1.00 4.03 H new ATOM 0 HZ3 LYS A 118 -17.640 -0.550 -10.072 1.00 4.03 H new ATOM 1766 N THR A 119 -12.408 3.867 -7.760 1.00 0.95 N ATOM 1767 CA THR A 119 -11.596 4.908 -8.367 1.00 1.00 C ATOM 1768 C THR A 119 -11.492 4.692 -9.877 1.00 1.00 C ATOM 1769 O THR A 119 -10.573 4.024 -10.350 1.00 1.17 O ATOM 1770 CB THR A 119 -10.240 4.920 -7.660 1.00 1.21 C ATOM 1771 OG1 THR A 119 -9.834 3.554 -7.662 1.00 1.36 O ATOM 1772 CG2 THR A 119 -10.356 5.272 -6.174 1.00 1.23 C ATOM 0 H THR A 119 -12.199 2.922 -8.081 1.00 0.95 H new ATOM 0 HA THR A 119 -12.053 5.890 -8.243 1.00 1.00 H new ATOM 0 HB THR A 119 -9.582 5.636 -8.152 1.00 1.21 H new ATOM 0 HG1 THR A 119 -9.647 3.267 -6.744 1.00 1.36 H new ATOM 0 HG21 THR A 119 -9.365 5.266 -5.720 1.00 1.23 H new ATOM 0 HG22 THR A 119 -10.798 6.263 -6.068 1.00 1.23 H new ATOM 0 HG23 THR A 119 -10.988 4.538 -5.674 1.00 1.23 H new ATOM 1780 N GLU A 120 -12.445 5.269 -10.593 1.00 0.90 N ATOM 1781 CA GLU A 120 -12.552 5.038 -12.024 1.00 0.97 C ATOM 1782 C GLU A 120 -11.583 5.946 -12.782 1.00 0.97 C ATOM 1783 O GLU A 120 -11.284 5.705 -13.951 1.00 1.01 O ATOM 1784 CB GLU A 120 -13.989 5.243 -12.507 1.00 1.08 C ATOM 1785 CG GLU A 120 -14.916 4.163 -11.948 1.00 2.18 C ATOM 1786 CD GLU A 120 -16.355 4.375 -12.422 1.00 2.27 C ATOM 1787 OE1 GLU A 120 -16.517 5.053 -13.460 1.00 2.71 O ATOM 1788 OE2 GLU A 120 -17.261 3.856 -11.735 1.00 3.09 O ATOM 0 H GLU A 120 -13.151 5.897 -10.209 1.00 0.90 H new ATOM 0 HA GLU A 120 -12.281 4.002 -12.226 1.00 0.97 H new ATOM 0 HB2 GLU A 120 -14.343 6.226 -12.198 1.00 1.08 H new ATOM 0 HB3 GLU A 120 -14.016 5.222 -13.596 1.00 1.08 H new ATOM 0 HG2 GLU A 120 -14.567 3.180 -12.264 1.00 2.18 H new ATOM 0 HG3 GLU A 120 -14.882 4.178 -10.859 1.00 2.18 H new ATOM 1795 N TRP A 121 -11.118 6.973 -12.086 1.00 0.98 N ATOM 1796 CA TRP A 121 -10.255 7.967 -12.703 1.00 1.05 C ATOM 1797 C TRP A 121 -8.804 7.532 -12.487 1.00 1.05 C ATOM 1798 O TRP A 121 -7.889 8.096 -13.085 1.00 1.28 O ATOM 1799 CB TRP A 121 -10.548 9.365 -12.155 1.00 1.12 C ATOM 1800 CG TRP A 121 -10.104 9.570 -10.705 1.00 1.06 C ATOM 1801 CD1 TRP A 121 -8.941 10.064 -10.261 1.00 1.01 C ATOM 1802 CD2 TRP A 121 -10.870 9.267 -9.520 1.00 1.07 C ATOM 1803 NE1 TRP A 121 -8.900 10.099 -8.882 1.00 1.00 N ATOM 1804 CE2 TRP A 121 -10.110 9.600 -8.417 1.00 1.03 C ATOM 1805 CE3 TRP A 121 -12.162 8.729 -9.385 1.00 1.15 C ATOM 1806 CZ2 TRP A 121 -10.555 9.431 -7.101 1.00 1.07 C ATOM 1807 CZ3 TRP A 121 -12.593 8.567 -8.063 1.00 1.18 C ATOM 1808 CH2 TRP A 121 -11.840 8.897 -6.941 1.00 1.14 C ATOM 0 H TRP A 121 -11.322 7.139 -11.101 1.00 0.98 H new ATOM 0 HA TRP A 121 -10.444 8.030 -13.775 1.00 1.05 H new ATOM 0 HB2 TRP A 121 -10.050 10.103 -12.784 1.00 1.12 H new ATOM 0 HB3 TRP A 121 -11.619 9.555 -12.227 1.00 1.12 H new ATOM 0 HD1 TRP A 121 -8.136 10.394 -10.902 1.00 1.01 H new ATOM 0 HE1 TRP A 121 -8.124 10.430 -8.309 1.00 1.00 H new ATOM 0 HE3 TRP A 121 -12.774 8.462 -10.234 1.00 1.15 H new ATOM 0 HZ2 TRP A 121 -9.940 9.698 -6.254 1.00 1.07 H new ATOM 0 HZ3 TRP A 121 -13.579 8.157 -7.903 1.00 1.18 H new ATOM 0 HH2 TRP A 121 -12.244 8.742 -5.951 1.00 1.14 H new ATOM 1819 N LEU A 122 -8.640 6.534 -11.631 1.00 0.84 N ATOM 1820 CA LEU A 122 -7.335 5.928 -11.431 1.00 0.90 C ATOM 1821 C LEU A 122 -7.288 4.579 -12.153 1.00 0.92 C ATOM 1822 O LEU A 122 -6.213 4.014 -12.350 1.00 1.17 O ATOM 1823 CB LEU A 122 -7.009 5.838 -9.939 1.00 0.86 C ATOM 1824 CG LEU A 122 -7.139 7.139 -9.144 1.00 0.90 C ATOM 1825 CD1 LEU A 122 -6.898 6.898 -7.653 1.00 0.93 C ATOM 1826 CD2 LEU A 122 -6.214 8.220 -9.707 1.00 1.05 C ATOM 0 H LEU A 122 -9.389 6.130 -11.068 1.00 0.84 H new ATOM 0 HA LEU A 122 -6.555 6.551 -11.867 1.00 0.90 H new ATOM 0 HB2 LEU A 122 -7.665 5.093 -9.488 1.00 0.86 H new ATOM 0 HB3 LEU A 122 -5.988 5.471 -9.832 1.00 0.86 H new ATOM 0 HG LEU A 122 -8.161 7.503 -9.249 1.00 0.90 H new ATOM 0 HD11 LEU A 122 -6.996 7.839 -7.112 1.00 0.93 H new ATOM 0 HD12 LEU A 122 -7.631 6.184 -7.277 1.00 0.93 H new ATOM 0 HD13 LEU A 122 -5.894 6.499 -7.507 1.00 0.93 H new ATOM 0 HD21 LEU A 122 -6.326 9.134 -9.124 1.00 1.05 H new ATOM 0 HD22 LEU A 122 -5.180 7.879 -9.652 1.00 1.05 H new ATOM 0 HD23 LEU A 122 -6.476 8.418 -10.746 1.00 1.05 H new ATOM 1838 N ASP A 123 -8.467 4.104 -12.527 1.00 0.84 N ATOM 1839 CA ASP A 123 -8.585 2.786 -13.128 1.00 0.95 C ATOM 1840 C ASP A 123 -7.680 2.708 -14.359 1.00 1.22 C ATOM 1841 O ASP A 123 -6.895 1.771 -14.498 1.00 2.29 O ATOM 1842 CB ASP A 123 -10.021 2.514 -13.579 1.00 0.96 C ATOM 1843 CG ASP A 123 -10.234 1.171 -14.283 1.00 1.09 C ATOM 1844 OD1 ASP A 123 -10.501 0.188 -13.560 1.00 2.00 O ATOM 1845 OD2 ASP A 123 -10.125 1.161 -15.528 1.00 1.75 O ATOM 0 H ASP A 123 -9.348 4.608 -12.426 1.00 0.84 H new ATOM 0 HA ASP A 123 -8.295 2.047 -12.381 1.00 0.95 H new ATOM 0 HB2 ASP A 123 -10.674 2.558 -12.708 1.00 0.96 H new ATOM 0 HB3 ASP A 123 -10.332 3.313 -14.252 1.00 0.96 H new ATOM 1850 N GLY A 124 -7.819 3.704 -15.221 1.00 1.58 N ATOM 1851 CA GLY A 124 -7.013 3.769 -16.427 1.00 1.74 C ATOM 1852 C GLY A 124 -5.860 4.762 -16.265 1.00 1.87 C ATOM 1853 O GLY A 124 -5.835 5.802 -16.921 1.00 2.67 O ATOM 0 H GLY A 124 -8.479 4.473 -15.108 1.00 1.58 H new ATOM 0 HA2 GLY A 124 -6.616 2.780 -16.657 1.00 1.74 H new ATOM 0 HA3 GLY A 124 -7.637 4.066 -17.270 1.00 1.74 H new ATOM 1857 N LYS A 125 -4.934 4.406 -15.387 1.00 1.48 N ATOM 1858 CA LYS A 125 -3.822 5.287 -15.073 1.00 1.55 C ATOM 1859 C LYS A 125 -2.849 4.561 -14.141 1.00 1.48 C ATOM 1860 O LYS A 125 -1.649 4.510 -14.409 1.00 1.74 O ATOM 1861 CB LYS A 125 -4.333 6.616 -14.513 1.00 1.57 C ATOM 1862 CG LYS A 125 -3.971 7.777 -15.442 1.00 2.26 C ATOM 1863 CD LYS A 125 -4.716 9.052 -15.042 1.00 3.32 C ATOM 1864 CE LYS A 125 -5.932 9.281 -15.943 1.00 4.77 C ATOM 1865 NZ LYS A 125 -6.928 8.203 -15.753 1.00 6.11 N ATOM 0 H LYS A 125 -4.931 3.519 -14.883 1.00 1.48 H new ATOM 0 HA LYS A 125 -3.269 5.540 -15.978 1.00 1.55 H new ATOM 0 HB2 LYS A 125 -5.415 6.570 -14.387 1.00 1.57 H new ATOM 0 HB3 LYS A 125 -3.904 6.788 -13.526 1.00 1.57 H new ATOM 0 HG2 LYS A 125 -2.896 7.954 -15.407 1.00 2.26 H new ATOM 0 HG3 LYS A 125 -4.218 7.515 -16.471 1.00 2.26 H new ATOM 0 HD2 LYS A 125 -5.037 8.979 -14.003 1.00 3.32 H new ATOM 0 HD3 LYS A 125 -4.043 9.907 -15.109 1.00 3.32 H new ATOM 0 HE2 LYS A 125 -6.384 10.246 -15.715 1.00 4.77 H new ATOM 0 HE3 LYS A 125 -5.618 9.314 -16.986 1.00 4.77 H new ATOM 0 HZ1 LYS A 125 -7.782 8.417 -16.307 1.00 6.11 H new ATOM 0 HZ2 LYS A 125 -6.526 7.299 -16.073 1.00 6.11 H new ATOM 0 HZ3 LYS A 125 -7.177 8.134 -14.746 1.00 6.11 H new ATOM 1879 N HIS A 126 -3.402 4.018 -13.067 1.00 1.24 N ATOM 1880 CA HIS A 126 -2.583 3.453 -12.008 1.00 1.21 C ATOM 1881 C HIS A 126 -2.613 1.926 -12.097 1.00 1.17 C ATOM 1882 O HIS A 126 -3.429 1.357 -12.821 1.00 1.98 O ATOM 1883 CB HIS A 126 -3.026 3.976 -10.641 1.00 1.15 C ATOM 1884 CG HIS A 126 -2.635 5.410 -10.375 1.00 1.34 C ATOM 1885 ND1 HIS A 126 -2.151 6.371 -11.213 1.00 1.03 N flip ATOM 1886 CD2 HIS A 126 -2.728 5.993 -9.124 1.00 3.03 C flip ATOM 1887 CE1 HIS A 126 -1.958 7.481 -10.512 1.00 0.84 C flip ATOM 1888 NE2 HIS A 126 -2.314 7.248 -9.216 1.00 2.48 N flip ATOM 0 H HIS A 126 -4.408 3.957 -12.907 1.00 1.24 H new ATOM 0 HA HIS A 126 -1.548 3.770 -12.135 1.00 1.21 H new ATOM 0 HB2 HIS A 126 -4.109 3.885 -10.563 1.00 1.15 H new ATOM 0 HB3 HIS A 126 -2.596 3.343 -9.865 1.00 1.15 H new ATOM 0 HD1 HIS A 126 -1.968 6.256 -12.210 1.00 1.03 H new ATOM 0 HD2 HIS A 126 -3.079 5.508 -8.225 1.00 3.03 H new ATOM 0 HE1 HIS A 126 -1.581 8.415 -10.903 1.00 0.84 H new ATOM 1896 N VAL A 127 -1.712 1.304 -11.349 1.00 0.74 N ATOM 1897 CA VAL A 127 -1.524 -0.134 -11.444 1.00 0.63 C ATOM 1898 C VAL A 127 -2.221 -0.814 -10.265 1.00 0.62 C ATOM 1899 O VAL A 127 -2.270 -0.263 -9.166 1.00 0.92 O ATOM 1900 CB VAL A 127 -0.032 -0.462 -11.527 1.00 0.71 C ATOM 1901 CG1 VAL A 127 0.207 -1.967 -11.388 1.00 0.71 C ATOM 1902 CG2 VAL A 127 0.575 0.071 -12.826 1.00 0.81 C ATOM 0 H VAL A 127 -1.105 1.770 -10.675 1.00 0.74 H new ATOM 0 HA VAL A 127 -1.979 -0.519 -12.356 1.00 0.63 H new ATOM 0 HB VAL A 127 0.467 0.035 -10.695 1.00 0.71 H new ATOM 0 HG11 VAL A 127 1.276 -2.173 -11.450 1.00 0.71 H new ATOM 0 HG12 VAL A 127 -0.173 -2.308 -10.425 1.00 0.71 H new ATOM 0 HG13 VAL A 127 -0.311 -2.493 -12.189 1.00 0.71 H new ATOM 0 HG21 VAL A 127 1.636 -0.176 -12.860 1.00 0.81 H new ATOM 0 HG22 VAL A 127 0.069 -0.384 -13.678 1.00 0.81 H new ATOM 0 HG23 VAL A 127 0.453 1.153 -12.868 1.00 0.81 H new ATOM 1912 N VAL A 128 -2.745 -2.001 -10.533 1.00 0.43 N ATOM 1913 CA VAL A 128 -3.274 -2.843 -9.472 1.00 0.43 C ATOM 1914 C VAL A 128 -2.635 -4.229 -9.560 1.00 0.46 C ATOM 1915 O VAL A 128 -2.566 -4.819 -10.637 1.00 0.55 O ATOM 1916 CB VAL A 128 -4.801 -2.882 -9.550 1.00 0.44 C ATOM 1917 CG1 VAL A 128 -5.398 -3.532 -8.299 1.00 0.63 C ATOM 1918 CG2 VAL A 128 -5.377 -1.481 -9.768 1.00 0.46 C ATOM 0 H VAL A 128 -2.815 -2.400 -11.469 1.00 0.43 H new ATOM 0 HA VAL A 128 -3.021 -2.431 -8.495 1.00 0.43 H new ATOM 0 HB VAL A 128 -5.076 -3.494 -10.409 1.00 0.44 H new ATOM 0 HG11 VAL A 128 -6.485 -3.547 -8.380 1.00 0.63 H new ATOM 0 HG12 VAL A 128 -5.027 -4.553 -8.207 1.00 0.63 H new ATOM 0 HG13 VAL A 128 -5.108 -2.960 -7.418 1.00 0.63 H new ATOM 0 HG21 VAL A 128 -6.464 -1.539 -9.820 1.00 0.46 H new ATOM 0 HG22 VAL A 128 -5.087 -0.835 -8.939 1.00 0.46 H new ATOM 0 HG23 VAL A 128 -4.991 -1.070 -10.701 1.00 0.46 H new ATOM 1928 N PHE A 129 -2.182 -4.710 -8.411 1.00 0.55 N ATOM 1929 CA PHE A 129 -1.377 -5.920 -8.371 1.00 0.64 C ATOM 1930 C PHE A 129 -1.584 -6.672 -7.054 1.00 0.70 C ATOM 1931 O PHE A 129 -0.673 -7.343 -6.570 1.00 0.95 O ATOM 1932 CB PHE A 129 0.087 -5.487 -8.472 1.00 0.78 C ATOM 1933 CG PHE A 129 0.620 -4.796 -7.216 1.00 1.46 C ATOM 1934 CD1 PHE A 129 0.215 -3.535 -6.908 1.00 2.63 C ATOM 1935 CD2 PHE A 129 1.499 -5.445 -6.406 1.00 2.37 C ATOM 1936 CE1 PHE A 129 0.711 -2.894 -5.741 1.00 3.43 C ATOM 1937 CE2 PHE A 129 1.995 -4.805 -5.239 1.00 3.14 C ATOM 1938 CZ PHE A 129 1.591 -3.543 -4.932 1.00 3.33 C ATOM 0 H PHE A 129 -2.357 -4.284 -7.501 1.00 0.55 H new ATOM 0 HA PHE A 129 -1.662 -6.584 -9.187 1.00 0.64 H new ATOM 0 HB2 PHE A 129 0.701 -6.363 -8.680 1.00 0.78 H new ATOM 0 HB3 PHE A 129 0.198 -4.812 -9.320 1.00 0.78 H new ATOM 0 HD1 PHE A 129 -0.484 -3.020 -7.551 1.00 2.63 H new ATOM 0 HD2 PHE A 129 1.820 -6.447 -6.650 1.00 2.37 H new ATOM 0 HE1 PHE A 129 0.390 -1.892 -5.497 1.00 3.43 H new ATOM 0 HE2 PHE A 129 2.693 -5.320 -4.596 1.00 3.14 H new ATOM 0 HZ PHE A 129 1.969 -3.056 -4.045 1.00 3.33 H new ATOM 1948 N GLY A 130 -2.785 -6.535 -6.514 1.00 0.59 N ATOM 1949 CA GLY A 130 -3.153 -7.266 -5.313 1.00 0.65 C ATOM 1950 C GLY A 130 -4.607 -6.989 -4.926 1.00 0.57 C ATOM 1951 O GLY A 130 -5.278 -6.177 -5.561 1.00 0.60 O ATOM 0 H GLY A 130 -3.516 -5.929 -6.885 1.00 0.59 H new ATOM 0 HA2 GLY A 130 -3.014 -8.335 -5.477 1.00 0.65 H new ATOM 0 HA3 GLY A 130 -2.494 -6.981 -4.493 1.00 0.65 H new ATOM 1955 N LYS A 131 -5.051 -7.679 -3.886 1.00 0.60 N ATOM 1956 CA LYS A 131 -6.421 -7.538 -3.424 1.00 0.60 C ATOM 1957 C LYS A 131 -6.495 -7.902 -1.940 1.00 0.57 C ATOM 1958 O LYS A 131 -5.833 -8.837 -1.492 1.00 0.72 O ATOM 1959 CB LYS A 131 -7.369 -8.355 -4.305 1.00 0.80 C ATOM 1960 CG LYS A 131 -8.827 -8.132 -3.894 1.00 1.31 C ATOM 1961 CD LYS A 131 -9.736 -9.204 -4.500 1.00 1.48 C ATOM 1962 CE LYS A 131 -9.598 -10.529 -3.748 1.00 2.22 C ATOM 1963 NZ LYS A 131 -9.032 -11.571 -4.635 1.00 3.07 N ATOM 0 H LYS A 131 -4.486 -8.338 -3.350 1.00 0.60 H new ATOM 0 HA LYS A 131 -6.749 -6.503 -3.515 1.00 0.60 H new ATOM 0 HB2 LYS A 131 -7.234 -8.073 -5.349 1.00 0.80 H new ATOM 0 HB3 LYS A 131 -7.123 -9.414 -4.226 1.00 0.80 H new ATOM 0 HG2 LYS A 131 -8.910 -8.151 -2.807 1.00 1.31 H new ATOM 0 HG3 LYS A 131 -9.154 -7.145 -4.221 1.00 1.31 H new ATOM 0 HD2 LYS A 131 -10.773 -8.869 -4.466 1.00 1.48 H new ATOM 0 HD3 LYS A 131 -9.483 -9.350 -5.550 1.00 1.48 H new ATOM 0 HE2 LYS A 131 -8.955 -10.395 -2.878 1.00 2.22 H new ATOM 0 HE3 LYS A 131 -10.573 -10.848 -3.378 1.00 2.22 H new ATOM 0 HZ1 LYS A 131 -8.663 -12.354 -4.059 1.00 3.07 H new ATOM 0 HZ2 LYS A 131 -9.775 -11.928 -5.269 1.00 3.07 H new ATOM 0 HZ3 LYS A 131 -8.260 -11.164 -5.201 1.00 3.07 H new ATOM 1977 N VAL A 132 -7.305 -7.143 -1.217 1.00 0.51 N ATOM 1978 CA VAL A 132 -7.471 -7.370 0.208 1.00 0.51 C ATOM 1979 C VAL A 132 -8.259 -8.664 0.426 1.00 0.65 C ATOM 1980 O VAL A 132 -9.363 -8.818 -0.093 1.00 0.80 O ATOM 1981 CB VAL A 132 -8.129 -6.153 0.861 1.00 0.48 C ATOM 1982 CG1 VAL A 132 -8.400 -6.404 2.345 1.00 0.56 C ATOM 1983 CG2 VAL A 132 -7.278 -4.898 0.663 1.00 0.64 C ATOM 0 H VAL A 132 -7.854 -6.369 -1.592 1.00 0.51 H new ATOM 0 HA VAL A 132 -6.501 -7.494 0.689 1.00 0.51 H new ATOM 0 HB VAL A 132 -9.088 -5.988 0.370 1.00 0.48 H new ATOM 0 HG11 VAL A 132 -8.868 -5.523 2.784 1.00 0.56 H new ATOM 0 HG12 VAL A 132 -9.066 -7.260 2.454 1.00 0.56 H new ATOM 0 HG13 VAL A 132 -7.460 -6.608 2.857 1.00 0.56 H new ATOM 0 HG21 VAL A 132 -7.768 -4.047 1.137 1.00 0.64 H new ATOM 0 HG22 VAL A 132 -6.297 -5.049 1.114 1.00 0.64 H new ATOM 0 HG23 VAL A 132 -7.161 -4.702 -0.403 1.00 0.64 H new ATOM 1993 N LYS A 133 -7.660 -9.561 1.194 1.00 0.84 N ATOM 1994 CA LYS A 133 -8.291 -10.838 1.486 1.00 1.00 C ATOM 1995 C LYS A 133 -8.847 -10.814 2.911 1.00 1.17 C ATOM 1996 O LYS A 133 -8.308 -11.466 3.803 1.00 2.86 O ATOM 1997 CB LYS A 133 -7.317 -11.989 1.225 1.00 1.21 C ATOM 1998 CG LYS A 133 -8.069 -13.305 1.012 1.00 1.32 C ATOM 1999 CD LYS A 133 -7.093 -14.471 0.842 1.00 1.91 C ATOM 2000 CE LYS A 133 -7.783 -15.671 0.189 1.00 2.35 C ATOM 2001 NZ LYS A 133 -6.787 -16.547 -0.468 1.00 3.65 N ATOM 0 H LYS A 133 -6.744 -9.430 1.624 1.00 0.84 H new ATOM 0 HA LYS A 133 -9.135 -11.007 0.817 1.00 1.00 H new ATOM 0 HB2 LYS A 133 -6.711 -11.766 0.347 1.00 1.21 H new ATOM 0 HB3 LYS A 133 -6.632 -12.089 2.067 1.00 1.21 H new ATOM 0 HG2 LYS A 133 -8.725 -13.495 1.862 1.00 1.32 H new ATOM 0 HG3 LYS A 133 -8.705 -13.226 0.130 1.00 1.32 H new ATOM 0 HD2 LYS A 133 -6.247 -14.156 0.231 1.00 1.91 H new ATOM 0 HD3 LYS A 133 -6.694 -14.761 1.814 1.00 1.91 H new ATOM 0 HE2 LYS A 133 -8.333 -16.236 0.942 1.00 2.35 H new ATOM 0 HE3 LYS A 133 -8.511 -15.325 -0.544 1.00 2.35 H new ATOM 0 HZ1 LYS A 133 -7.265 -17.382 -0.862 1.00 3.65 H new ATOM 0 HZ2 LYS A 133 -6.316 -16.024 -1.234 1.00 3.65 H new ATOM 0 HZ3 LYS A 133 -6.078 -16.851 0.230 1.00 3.65 H new ATOM 2015 N GLU A 134 -9.918 -10.053 3.081 1.00 0.99 N ATOM 2016 CA GLU A 134 -10.504 -9.870 4.398 1.00 0.99 C ATOM 2017 C GLU A 134 -9.572 -9.039 5.282 1.00 0.90 C ATOM 2018 O GLU A 134 -8.374 -8.954 5.019 1.00 1.64 O ATOM 2019 CB GLU A 134 -10.823 -11.217 5.048 1.00 1.26 C ATOM 2020 CG GLU A 134 -12.229 -11.215 5.652 1.00 2.24 C ATOM 2021 CD GLU A 134 -12.475 -12.481 6.474 1.00 2.48 C ATOM 2022 OE1 GLU A 134 -12.487 -13.567 5.854 1.00 2.67 O ATOM 2023 OE2 GLU A 134 -12.645 -12.336 7.703 1.00 3.26 O ATOM 0 H GLU A 134 -10.395 -9.556 2.329 1.00 0.99 H new ATOM 0 HA GLU A 134 -11.443 -9.328 4.285 1.00 0.99 H new ATOM 0 HB2 GLU A 134 -10.743 -12.011 4.306 1.00 1.26 H new ATOM 0 HB3 GLU A 134 -10.090 -11.433 5.825 1.00 1.26 H new ATOM 0 HG2 GLU A 134 -12.356 -10.336 6.284 1.00 2.24 H new ATOM 0 HG3 GLU A 134 -12.970 -11.144 4.856 1.00 2.24 H new ATOM 2030 N GLY A 135 -10.158 -8.449 6.314 1.00 0.73 N ATOM 2031 CA GLY A 135 -9.409 -7.574 7.199 1.00 0.66 C ATOM 2032 C GLY A 135 -9.778 -6.108 6.963 1.00 0.69 C ATOM 2033 O GLY A 135 -9.237 -5.215 7.613 1.00 0.83 O ATOM 0 H GLY A 135 -11.142 -8.560 6.557 1.00 0.73 H new ATOM 0 HA2 GLY A 135 -9.611 -7.841 8.236 1.00 0.66 H new ATOM 0 HA3 GLY A 135 -8.340 -7.714 7.036 1.00 0.66 H new ATOM 2037 N MET A 136 -10.697 -5.906 6.031 1.00 0.71 N ATOM 2038 CA MET A 136 -11.141 -4.563 5.697 1.00 0.86 C ATOM 2039 C MET A 136 -11.671 -3.836 6.934 1.00 0.84 C ATOM 2040 O MET A 136 -11.610 -2.610 7.012 1.00 0.92 O ATOM 2041 CB MET A 136 -12.243 -4.638 4.637 1.00 1.05 C ATOM 2042 CG MET A 136 -11.648 -4.773 3.235 1.00 1.21 C ATOM 2043 SD MET A 136 -12.519 -3.710 2.097 1.00 1.45 S ATOM 2044 CE MET A 136 -11.718 -2.155 2.448 1.00 1.32 C ATOM 0 H MET A 136 -11.147 -6.649 5.496 1.00 0.71 H new ATOM 0 HA MET A 136 -10.289 -4.005 5.309 1.00 0.86 H new ATOM 0 HB2 MET A 136 -12.893 -5.488 4.843 1.00 1.05 H new ATOM 0 HB3 MET A 136 -12.863 -3.743 4.688 1.00 1.05 H new ATOM 0 HG2 MET A 136 -10.590 -4.511 3.253 1.00 1.21 H new ATOM 0 HG3 MET A 136 -11.714 -5.809 2.901 1.00 1.21 H new ATOM 0 HE1 MET A 136 -12.146 -1.375 1.818 1.00 1.32 H new ATOM 0 HE2 MET A 136 -11.867 -1.897 3.497 1.00 1.32 H new ATOM 0 HE3 MET A 136 -10.651 -2.241 2.244 1.00 1.32 H new ATOM 2054 N ASN A 137 -12.179 -4.623 7.871 1.00 0.77 N ATOM 2055 CA ASN A 137 -12.750 -4.069 9.086 1.00 0.81 C ATOM 2056 C ASN A 137 -11.652 -3.362 9.884 1.00 0.75 C ATOM 2057 O ASN A 137 -11.894 -2.318 10.489 1.00 0.77 O ATOM 2058 CB ASN A 137 -13.341 -5.169 9.970 1.00 0.84 C ATOM 2059 CG ASN A 137 -14.574 -5.795 9.314 1.00 1.95 C ATOM 2060 OD1 ASN A 137 -15.656 -5.235 9.306 1.00 3.33 O ATOM 2061 ND2 ASN A 137 -14.348 -6.986 8.766 1.00 3.13 N ATOM 0 H ASN A 137 -12.207 -5.641 7.813 1.00 0.77 H new ATOM 0 HA ASN A 137 -13.539 -3.373 8.800 1.00 0.81 H new ATOM 0 HB2 ASN A 137 -12.590 -5.938 10.150 1.00 0.84 H new ATOM 0 HB3 ASN A 137 -13.612 -4.754 10.941 1.00 0.84 H new ATOM 0 HD21 ASN A 137 -15.107 -7.487 8.303 1.00 3.13 H new ATOM 0 HD22 ASN A 137 -13.416 -7.398 8.809 1.00 3.13 H new ATOM 2068 N ILE A 138 -10.469 -3.957 9.858 1.00 0.73 N ATOM 2069 CA ILE A 138 -9.335 -3.401 10.578 1.00 0.74 C ATOM 2070 C ILE A 138 -8.851 -2.139 9.860 1.00 0.78 C ATOM 2071 O ILE A 138 -8.383 -1.199 10.500 1.00 0.85 O ATOM 2072 CB ILE A 138 -8.247 -4.459 10.762 1.00 0.73 C ATOM 2073 CG1 ILE A 138 -8.609 -5.428 11.890 1.00 1.05 C ATOM 2074 CG2 ILE A 138 -6.880 -3.808 10.982 1.00 0.63 C ATOM 2075 CD1 ILE A 138 -9.784 -6.321 11.490 1.00 1.11 C ATOM 0 H ILE A 138 -10.270 -4.819 9.350 1.00 0.73 H new ATOM 0 HA ILE A 138 -9.630 -3.103 11.584 1.00 0.74 H new ATOM 0 HB ILE A 138 -8.181 -5.044 9.844 1.00 0.73 H new ATOM 0 HG12 ILE A 138 -7.745 -6.046 12.135 1.00 1.05 H new ATOM 0 HG13 ILE A 138 -8.864 -4.866 12.789 1.00 1.05 H new ATOM 0 HG21 ILE A 138 -6.124 -4.583 11.110 1.00 0.63 H new ATOM 0 HG22 ILE A 138 -6.627 -3.193 10.118 1.00 0.63 H new ATOM 0 HG23 ILE A 138 -6.914 -3.183 11.875 1.00 0.63 H new ATOM 0 HD11 ILE A 138 -10.021 -7.000 12.309 1.00 1.11 H new ATOM 0 HD12 ILE A 138 -10.653 -5.701 11.270 1.00 1.11 H new ATOM 0 HD13 ILE A 138 -9.517 -6.899 10.605 1.00 1.11 H new ATOM 2087 N VAL A 139 -8.980 -2.160 8.542 1.00 0.77 N ATOM 2088 CA VAL A 139 -8.656 -0.993 7.740 1.00 0.83 C ATOM 2089 C VAL A 139 -9.697 0.099 7.991 1.00 0.87 C ATOM 2090 O VAL A 139 -9.366 1.284 8.021 1.00 0.88 O ATOM 2091 CB VAL A 139 -8.545 -1.386 6.266 1.00 0.85 C ATOM 2092 CG1 VAL A 139 -8.401 -0.147 5.378 1.00 0.95 C ATOM 2093 CG2 VAL A 139 -7.385 -2.358 6.043 1.00 0.85 C ATOM 0 H VAL A 139 -9.305 -2.967 8.009 1.00 0.77 H new ATOM 0 HA VAL A 139 -7.686 -0.589 8.029 1.00 0.83 H new ATOM 0 HB VAL A 139 -9.467 -1.895 5.985 1.00 0.85 H new ATOM 0 HG11 VAL A 139 -8.324 -0.454 4.335 1.00 0.95 H new ATOM 0 HG12 VAL A 139 -9.273 0.494 5.504 1.00 0.95 H new ATOM 0 HG13 VAL A 139 -7.503 0.402 5.662 1.00 0.95 H new ATOM 0 HG21 VAL A 139 -7.329 -2.621 4.987 1.00 0.85 H new ATOM 0 HG22 VAL A 139 -6.451 -1.887 6.350 1.00 0.85 H new ATOM 0 HG23 VAL A 139 -7.547 -3.260 6.633 1.00 0.85 H new ATOM 2103 N GLU A 140 -10.936 -0.338 8.166 1.00 0.93 N ATOM 2104 CA GLU A 140 -12.030 0.588 8.400 1.00 0.98 C ATOM 2105 C GLU A 140 -11.898 1.228 9.784 1.00 1.00 C ATOM 2106 O GLU A 140 -12.382 2.337 10.009 1.00 1.13 O ATOM 2107 CB GLU A 140 -13.383 -0.110 8.246 1.00 1.00 C ATOM 2108 CG GLU A 140 -14.202 0.521 7.120 1.00 0.93 C ATOM 2109 CD GLU A 140 -13.725 0.029 5.752 1.00 2.65 C ATOM 2110 OE1 GLU A 140 -12.637 0.482 5.333 1.00 3.98 O ATOM 2111 OE2 GLU A 140 -14.457 -0.791 5.156 1.00 3.55 O ATOM 0 H GLU A 140 -11.206 -1.322 8.150 1.00 0.93 H new ATOM 0 HA GLU A 140 -11.978 1.377 7.650 1.00 0.98 H new ATOM 0 HB2 GLU A 140 -13.228 -1.169 8.038 1.00 1.00 H new ATOM 0 HB3 GLU A 140 -13.937 -0.047 9.183 1.00 1.00 H new ATOM 0 HG2 GLU A 140 -15.256 0.276 7.251 1.00 0.93 H new ATOM 0 HG3 GLU A 140 -14.118 1.607 7.169 1.00 0.93 H new ATOM 2118 N ALA A 141 -11.240 0.502 10.675 1.00 0.97 N ATOM 2119 CA ALA A 141 -10.920 1.038 11.987 1.00 1.03 C ATOM 2120 C ALA A 141 -9.801 2.073 11.852 1.00 0.95 C ATOM 2121 O ALA A 141 -9.840 3.121 12.496 1.00 1.07 O ATOM 2122 CB ALA A 141 -10.543 -0.108 12.929 1.00 1.10 C ATOM 0 H ALA A 141 -10.920 -0.453 10.514 1.00 0.97 H new ATOM 0 HA ALA A 141 -11.786 1.542 12.417 1.00 1.03 H new ATOM 0 HB1 ALA A 141 -10.303 0.294 13.913 1.00 1.10 H new ATOM 0 HB2 ALA A 141 -11.381 -0.800 13.014 1.00 1.10 H new ATOM 0 HB3 ALA A 141 -9.676 -0.636 12.531 1.00 1.10 H new ATOM 2128 N MET A 142 -8.833 1.743 11.012 1.00 0.83 N ATOM 2129 CA MET A 142 -7.680 2.608 10.822 1.00 0.83 C ATOM 2130 C MET A 142 -8.094 3.948 10.213 1.00 0.81 C ATOM 2131 O MET A 142 -7.665 5.004 10.675 1.00 0.89 O ATOM 2132 CB MET A 142 -6.671 1.919 9.902 1.00 0.89 C ATOM 2133 CG MET A 142 -5.465 2.823 9.635 1.00 1.44 C ATOM 2134 SD MET A 142 -4.030 1.832 9.260 1.00 1.49 S ATOM 2135 CE MET A 142 -4.361 1.440 7.551 1.00 1.32 C ATOM 0 H MET A 142 -8.822 0.889 10.455 1.00 0.83 H new ATOM 0 HA MET A 142 -7.227 2.797 11.795 1.00 0.83 H new ATOM 0 HB2 MET A 142 -6.337 0.986 10.356 1.00 0.89 H new ATOM 0 HB3 MET A 142 -7.152 1.660 8.959 1.00 0.89 H new ATOM 0 HG2 MET A 142 -5.681 3.495 8.804 1.00 1.44 H new ATOM 0 HG3 MET A 142 -5.268 3.447 10.507 1.00 1.44 H new ATOM 0 HE1 MET A 142 -4.020 0.427 7.337 1.00 1.32 H new ATOM 0 HE2 MET A 142 -5.432 1.510 7.363 1.00 1.32 H new ATOM 0 HE3 MET A 142 -3.833 2.144 6.907 1.00 1.32 H new ATOM 2145 N GLU A 143 -8.926 3.863 9.185 1.00 0.82 N ATOM 2146 CA GLU A 143 -9.327 5.049 8.446 1.00 0.87 C ATOM 2147 C GLU A 143 -10.187 5.957 9.328 1.00 0.86 C ATOM 2148 O GLU A 143 -10.299 7.154 9.068 1.00 0.87 O ATOM 2149 CB GLU A 143 -10.069 4.670 7.162 1.00 0.96 C ATOM 2150 CG GLU A 143 -11.497 4.213 7.468 1.00 2.07 C ATOM 2151 CD GLU A 143 -12.502 5.332 7.187 1.00 3.02 C ATOM 2152 OE1 GLU A 143 -12.750 5.584 5.989 1.00 3.08 O ATOM 2153 OE2 GLU A 143 -13.000 5.910 8.177 1.00 4.53 O ATOM 0 H GLU A 143 -9.333 2.991 8.846 1.00 0.82 H new ATOM 0 HA GLU A 143 -8.429 5.597 8.160 1.00 0.87 H new ATOM 0 HB2 GLU A 143 -10.094 5.525 6.486 1.00 0.96 H new ATOM 0 HB3 GLU A 143 -9.531 3.873 6.648 1.00 0.96 H new ATOM 0 HG2 GLU A 143 -11.741 3.340 6.863 1.00 2.07 H new ATOM 0 HG3 GLU A 143 -11.569 3.908 8.512 1.00 2.07 H new ATOM 2160 N ARG A 144 -10.771 5.353 10.353 1.00 1.00 N ATOM 2161 CA ARG A 144 -11.674 6.077 11.232 1.00 1.09 C ATOM 2162 C ARG A 144 -10.906 7.136 12.025 1.00 1.04 C ATOM 2163 O ARG A 144 -11.476 8.150 12.426 1.00 1.12 O ATOM 2164 CB ARG A 144 -12.372 5.126 12.207 1.00 1.48 C ATOM 2165 CG ARG A 144 -13.683 5.729 12.716 1.00 1.85 C ATOM 2166 CD ARG A 144 -14.816 5.506 11.713 1.00 2.41 C ATOM 2167 NE ARG A 144 -15.029 4.056 11.504 1.00 2.91 N ATOM 2168 CZ ARG A 144 -15.082 3.469 10.301 1.00 4.18 C ATOM 2169 NH1 ARG A 144 -14.451 4.023 9.257 1.00 4.99 N ATOM 2170 NH2 ARG A 144 -15.768 2.329 10.141 1.00 5.34 N ATOM 0 H ARG A 144 -10.637 4.371 10.594 1.00 1.00 H new ATOM 0 HA ARG A 144 -12.428 6.560 10.610 1.00 1.09 H new ATOM 0 HB2 ARG A 144 -12.572 4.175 11.713 1.00 1.48 H new ATOM 0 HB3 ARG A 144 -11.713 4.915 13.049 1.00 1.48 H new ATOM 0 HG2 ARG A 144 -13.947 5.279 13.673 1.00 1.85 H new ATOM 0 HG3 ARG A 144 -13.552 6.797 12.891 1.00 1.85 H new ATOM 0 HD2 ARG A 144 -15.733 5.968 12.079 1.00 2.41 H new ATOM 0 HD3 ARG A 144 -14.574 5.987 10.765 1.00 2.41 H new ATOM 0 HE ARG A 144 -15.143 3.466 12.328 1.00 2.91 H new ATOM 0 HH11 ARG A 144 -13.930 4.892 9.378 1.00 4.99 H new ATOM 0 HH12 ARG A 144 -14.491 3.576 8.341 1.00 4.99 H new ATOM 0 HH21 ARG A 144 -16.250 1.908 10.935 1.00 5.34 H new ATOM 0 HH22 ARG A 144 -15.808 1.882 9.225 1.00 5.34 H new ATOM 2184 N PHE A 145 -9.625 6.866 12.228 1.00 1.06 N ATOM 2185 CA PHE A 145 -8.788 7.755 13.014 1.00 1.16 C ATOM 2186 C PHE A 145 -8.211 8.875 12.145 1.00 1.08 C ATOM 2187 O PHE A 145 -7.573 9.795 12.655 1.00 1.34 O ATOM 2188 CB PHE A 145 -7.637 6.912 13.569 1.00 1.41 C ATOM 2189 CG PHE A 145 -8.090 5.730 14.428 1.00 1.53 C ATOM 2190 CD1 PHE A 145 -8.970 5.927 15.446 1.00 2.19 C ATOM 2191 CD2 PHE A 145 -7.613 4.482 14.173 1.00 2.67 C ATOM 2192 CE1 PHE A 145 -9.390 4.830 16.244 1.00 2.37 C ATOM 2193 CE2 PHE A 145 -8.033 3.385 14.971 1.00 3.13 C ATOM 2194 CZ PHE A 145 -8.913 3.582 15.989 1.00 2.40 C ATOM 0 H PHE A 145 -9.146 6.043 11.861 1.00 1.06 H new ATOM 0 HA PHE A 145 -9.376 8.214 13.809 1.00 1.16 H new ATOM 0 HB2 PHE A 145 -7.041 6.536 12.737 1.00 1.41 H new ATOM 0 HB3 PHE A 145 -6.985 7.552 14.164 1.00 1.41 H new ATOM 0 HD1 PHE A 145 -9.349 6.918 15.648 1.00 2.19 H new ATOM 0 HD2 PHE A 145 -6.915 4.325 13.364 1.00 2.67 H new ATOM 0 HE1 PHE A 145 -10.088 4.987 17.053 1.00 2.37 H new ATOM 0 HE2 PHE A 145 -7.654 2.394 14.769 1.00 3.13 H new ATOM 0 HZ PHE A 145 -9.233 2.747 16.595 1.00 2.40 H new ATOM 2204 N GLY A 146 -8.456 8.760 10.849 1.00 0.92 N ATOM 2205 CA GLY A 146 -7.993 9.766 9.907 1.00 0.93 C ATOM 2206 C GLY A 146 -8.865 11.022 9.975 1.00 0.97 C ATOM 2207 O GLY A 146 -9.614 11.212 10.932 1.00 1.46 O ATOM 0 H GLY A 146 -8.969 7.986 10.428 1.00 0.92 H new ATOM 0 HA2 GLY A 146 -6.957 10.025 10.126 1.00 0.93 H new ATOM 0 HA3 GLY A 146 -8.013 9.359 8.896 1.00 0.93 H new ATOM 2211 N SER A 147 -8.737 11.848 8.946 1.00 0.95 N ATOM 2212 CA SER A 147 -9.516 13.072 8.869 1.00 1.12 C ATOM 2213 C SER A 147 -9.698 13.486 7.407 1.00 1.52 C ATOM 2214 O SER A 147 -10.755 13.262 6.822 1.00 2.83 O ATOM 2215 CB SER A 147 -8.848 14.199 9.660 1.00 1.79 C ATOM 2216 OG SER A 147 -9.433 15.468 9.379 1.00 3.53 O ATOM 0 H SER A 147 -8.106 11.693 8.160 1.00 0.95 H new ATOM 0 HA SER A 147 -10.494 12.883 9.311 1.00 1.12 H new ATOM 0 HB2 SER A 147 -8.929 13.991 10.727 1.00 1.79 H new ATOM 0 HB3 SER A 147 -7.785 14.229 9.421 1.00 1.79 H new ATOM 0 HG SER A 147 -8.980 16.160 9.904 1.00 3.53 H new ATOM 2222 N ARG A 148 -8.648 14.083 6.860 1.00 1.86 N ATOM 2223 CA ARG A 148 -8.685 14.544 5.483 1.00 2.50 C ATOM 2224 C ARG A 148 -7.351 15.192 5.105 1.00 2.51 C ATOM 2225 O ARG A 148 -6.874 15.028 3.983 1.00 2.88 O ATOM 2226 CB ARG A 148 -9.814 15.556 5.271 1.00 3.11 C ATOM 2227 CG ARG A 148 -9.662 16.752 6.214 1.00 3.07 C ATOM 2228 CD ARG A 148 -10.947 17.581 6.259 1.00 3.71 C ATOM 2229 NE ARG A 148 -11.252 18.116 4.913 1.00 5.05 N ATOM 2230 CZ ARG A 148 -10.725 19.244 4.417 1.00 6.24 C ATOM 2231 NH1 ARG A 148 -9.777 19.899 5.101 1.00 6.44 N ATOM 2232 NH2 ARG A 148 -11.144 19.715 3.234 1.00 7.84 N ATOM 0 H ARG A 148 -7.768 14.257 7.345 1.00 1.86 H new ATOM 0 HA ARG A 148 -8.865 13.677 4.847 1.00 2.50 H new ATOM 0 HB2 ARG A 148 -9.809 15.901 4.237 1.00 3.11 H new ATOM 0 HB3 ARG A 148 -10.776 15.074 5.442 1.00 3.11 H new ATOM 0 HG2 ARG A 148 -9.416 16.401 7.216 1.00 3.07 H new ATOM 0 HG3 ARG A 148 -8.833 17.377 5.883 1.00 3.07 H new ATOM 0 HD2 ARG A 148 -11.775 16.965 6.611 1.00 3.71 H new ATOM 0 HD3 ARG A 148 -10.836 18.401 6.969 1.00 3.71 H new ATOM 0 HE ARG A 148 -11.903 17.594 4.327 1.00 5.05 H new ATOM 0 HH11 ARG A 148 -9.456 19.539 6.000 1.00 6.44 H new ATOM 0 HH12 ARG A 148 -9.376 20.757 4.723 1.00 6.44 H new ATOM 0 HH21 ARG A 148 -11.864 19.215 2.712 1.00 7.84 H new ATOM 0 HH22 ARG A 148 -10.743 20.573 2.856 1.00 7.84 H new ATOM 2246 N ASN A 149 -6.788 15.914 6.063 1.00 2.32 N ATOM 2247 CA ASN A 149 -5.486 16.529 5.868 1.00 2.55 C ATOM 2248 C ASN A 149 -4.449 15.440 5.586 1.00 2.35 C ATOM 2249 O ASN A 149 -3.438 15.695 4.932 1.00 2.82 O ATOM 2250 CB ASN A 149 -5.045 17.291 7.118 1.00 2.75 C ATOM 2251 CG ASN A 149 -5.151 16.409 8.364 1.00 2.46 C ATOM 2252 OD1 ASN A 149 -5.628 15.287 8.322 1.00 2.86 O ATOM 2253 ND2 ASN A 149 -4.685 16.978 9.471 1.00 2.66 N ATOM 0 H ASN A 149 -7.209 16.087 6.976 1.00 2.32 H new ATOM 0 HA ASN A 149 -5.563 17.223 5.031 1.00 2.55 H new ATOM 0 HB2 ASN A 149 -4.017 17.633 6.996 1.00 2.75 H new ATOM 0 HB3 ASN A 149 -5.663 18.180 7.244 1.00 2.75 H new ATOM 0 HD21 ASN A 149 -4.714 16.471 10.356 1.00 2.66 H new ATOM 0 HD22 ASN A 149 -4.299 17.921 9.436 1.00 2.66 H new ATOM 2260 N GLY A 150 -4.734 14.250 6.093 1.00 1.87 N ATOM 2261 CA GLY A 150 -3.861 13.111 5.867 1.00 2.01 C ATOM 2262 C GLY A 150 -3.049 12.785 7.123 1.00 1.63 C ATOM 2263 O GLY A 150 -1.966 12.209 7.033 1.00 2.42 O ATOM 0 H GLY A 150 -5.558 14.050 6.660 1.00 1.87 H new ATOM 0 HA2 GLY A 150 -4.456 12.244 5.579 1.00 2.01 H new ATOM 0 HA3 GLY A 150 -3.186 13.324 5.038 1.00 2.01 H new ATOM 2267 N LYS A 151 -3.604 13.168 8.264 1.00 1.29 N ATOM 2268 CA LYS A 151 -2.976 12.868 9.538 1.00 1.69 C ATOM 2269 C LYS A 151 -4.021 12.290 10.494 1.00 1.34 C ATOM 2270 O LYS A 151 -5.163 12.746 10.521 1.00 1.80 O ATOM 2271 CB LYS A 151 -2.258 14.104 10.087 1.00 2.59 C ATOM 2272 CG LYS A 151 -1.374 13.741 11.281 1.00 2.72 C ATOM 2273 CD LYS A 151 -0.609 14.963 11.788 1.00 3.78 C ATOM 2274 CE LYS A 151 -1.506 15.853 12.652 1.00 5.13 C ATOM 2275 NZ LYS A 151 -0.724 16.965 13.237 1.00 6.44 N ATOM 0 H LYS A 151 -4.482 13.683 8.332 1.00 1.29 H new ATOM 0 HA LYS A 151 -2.204 12.109 9.412 1.00 1.69 H new ATOM 0 HB2 LYS A 151 -1.649 14.553 9.303 1.00 2.59 H new ATOM 0 HB3 LYS A 151 -2.992 14.851 10.388 1.00 2.59 H new ATOM 0 HG2 LYS A 151 -1.990 13.334 12.083 1.00 2.72 H new ATOM 0 HG3 LYS A 151 -0.670 12.961 10.993 1.00 2.72 H new ATOM 0 HD2 LYS A 151 0.256 14.640 12.368 1.00 3.78 H new ATOM 0 HD3 LYS A 151 -0.230 15.536 10.942 1.00 3.78 H new ATOM 0 HE2 LYS A 151 -2.322 16.252 12.049 1.00 5.13 H new ATOM 0 HE3 LYS A 151 -1.958 15.261 13.447 1.00 5.13 H new ATOM 0 HZ1 LYS A 151 -1.348 17.559 13.820 1.00 6.44 H new ATOM 0 HZ2 LYS A 151 0.039 16.579 13.829 1.00 6.44 H new ATOM 0 HZ3 LYS A 151 -0.313 17.540 12.474 1.00 6.44 H new ATOM 2289 N THR A 152 -3.593 11.294 11.256 1.00 1.41 N ATOM 2290 CA THR A 152 -4.491 10.614 12.174 1.00 1.28 C ATOM 2291 C THR A 152 -4.602 11.393 13.486 1.00 1.61 C ATOM 2292 O THR A 152 -3.732 12.201 13.807 1.00 2.17 O ATOM 2293 CB THR A 152 -3.986 9.182 12.358 1.00 1.51 C ATOM 2294 OG1 THR A 152 -2.602 9.339 12.660 1.00 2.40 O ATOM 2295 CG2 THR A 152 -3.994 8.386 11.051 1.00 1.62 C ATOM 0 H THR A 152 -2.636 10.942 11.256 1.00 1.41 H new ATOM 0 HA THR A 152 -5.504 10.567 11.774 1.00 1.28 H new ATOM 0 HB THR A 152 -4.603 8.671 13.098 1.00 1.51 H new ATOM 0 HG1 THR A 152 -2.482 9.386 13.632 1.00 2.40 H new ATOM 0 HG21 THR A 152 -3.626 7.377 11.237 1.00 1.62 H new ATOM 0 HG22 THR A 152 -5.011 8.336 10.662 1.00 1.62 H new ATOM 0 HG23 THR A 152 -3.350 8.878 10.322 1.00 1.62 H new ATOM 2303 N SER A 153 -5.678 11.123 14.209 1.00 1.78 N ATOM 2304 CA SER A 153 -5.852 11.692 15.534 1.00 2.35 C ATOM 2305 C SER A 153 -5.042 10.894 16.558 1.00 2.04 C ATOM 2306 O SER A 153 -4.873 11.328 17.695 1.00 2.43 O ATOM 2307 CB SER A 153 -7.330 11.718 15.933 1.00 3.11 C ATOM 2308 OG SER A 153 -7.501 11.780 17.346 1.00 3.78 O ATOM 0 H SER A 153 -6.439 10.517 13.902 1.00 1.78 H new ATOM 0 HA SER A 153 -5.489 12.720 15.514 1.00 2.35 H new ATOM 0 HB2 SER A 153 -7.815 12.578 15.471 1.00 3.11 H new ATOM 0 HB3 SER A 153 -7.825 10.827 15.547 1.00 3.11 H new ATOM 0 HG SER A 153 -6.630 11.910 17.776 1.00 3.78 H new ATOM 2314 N LYS A 154 -4.561 9.742 16.115 1.00 1.76 N ATOM 2315 CA LYS A 154 -3.707 8.916 16.952 1.00 1.74 C ATOM 2316 C LYS A 154 -2.399 8.629 16.211 1.00 1.64 C ATOM 2317 O LYS A 154 -1.923 9.460 15.439 1.00 2.01 O ATOM 2318 CB LYS A 154 -4.449 7.657 17.399 1.00 1.94 C ATOM 2319 CG LYS A 154 -5.889 7.983 17.803 1.00 2.75 C ATOM 2320 CD LYS A 154 -6.544 6.792 18.505 1.00 2.96 C ATOM 2321 CE LYS A 154 -7.959 7.142 18.972 1.00 3.90 C ATOM 2322 NZ LYS A 154 -8.556 6.008 19.713 1.00 5.39 N ATOM 0 H LYS A 154 -4.746 9.361 15.187 1.00 1.76 H new ATOM 0 HA LYS A 154 -3.446 9.445 17.869 1.00 1.74 H new ATOM 0 HB2 LYS A 154 -4.451 6.926 16.591 1.00 1.94 H new ATOM 0 HB3 LYS A 154 -3.926 7.202 18.240 1.00 1.94 H new ATOM 0 HG2 LYS A 154 -5.898 8.849 18.464 1.00 2.75 H new ATOM 0 HG3 LYS A 154 -6.467 8.251 16.919 1.00 2.75 H new ATOM 0 HD2 LYS A 154 -6.581 5.940 17.826 1.00 2.96 H new ATOM 0 HD3 LYS A 154 -5.939 6.491 19.360 1.00 2.96 H new ATOM 0 HE2 LYS A 154 -7.930 8.026 19.610 1.00 3.90 H new ATOM 0 HE3 LYS A 154 -8.581 7.390 18.112 1.00 3.90 H new ATOM 0 HZ1 LYS A 154 -9.516 6.262 20.023 1.00 5.39 H new ATOM 0 HZ2 LYS A 154 -8.602 5.174 19.093 1.00 5.39 H new ATOM 0 HZ3 LYS A 154 -7.971 5.790 20.544 1.00 5.39 H new ATOM 2336 N LYS A 155 -1.855 7.449 16.470 1.00 1.31 N ATOM 2337 CA LYS A 155 -0.574 7.074 15.899 1.00 1.26 C ATOM 2338 C LYS A 155 -0.663 5.649 15.346 1.00 1.08 C ATOM 2339 O LYS A 155 -0.905 4.704 16.095 1.00 1.26 O ATOM 2340 CB LYS A 155 0.546 7.265 16.924 1.00 1.37 C ATOM 2341 CG LYS A 155 1.745 7.982 16.300 1.00 1.95 C ATOM 2342 CD LYS A 155 2.362 7.145 15.179 1.00 3.34 C ATOM 2343 CE LYS A 155 3.742 7.679 14.792 1.00 4.27 C ATOM 2344 NZ LYS A 155 4.784 7.108 15.675 1.00 4.62 N ATOM 0 H LYS A 155 -2.279 6.740 17.068 1.00 1.31 H new ATOM 0 HA LYS A 155 -0.325 7.727 15.062 1.00 1.26 H new ATOM 0 HB2 LYS A 155 0.174 7.841 17.771 1.00 1.37 H new ATOM 0 HB3 LYS A 155 0.859 6.295 17.311 1.00 1.37 H new ATOM 0 HG2 LYS A 155 1.431 8.948 15.906 1.00 1.95 H new ATOM 0 HG3 LYS A 155 2.495 8.179 17.066 1.00 1.95 H new ATOM 0 HD2 LYS A 155 2.447 6.107 15.500 1.00 3.34 H new ATOM 0 HD3 LYS A 155 1.706 7.157 14.308 1.00 3.34 H new ATOM 0 HE2 LYS A 155 3.958 7.427 13.754 1.00 4.27 H new ATOM 0 HE3 LYS A 155 3.751 8.767 14.864 1.00 4.27 H new ATOM 0 HZ1 LYS A 155 5.715 7.480 15.399 1.00 4.62 H new ATOM 0 HZ2 LYS A 155 4.585 7.370 16.662 1.00 4.62 H new ATOM 0 HZ3 LYS A 155 4.785 6.072 15.585 1.00 4.62 H new ATOM 2358 N ILE A 156 -0.464 5.543 14.042 1.00 0.93 N ATOM 2359 CA ILE A 156 -0.443 4.243 13.392 1.00 0.81 C ATOM 2360 C ILE A 156 0.984 3.690 13.412 1.00 0.94 C ATOM 2361 O ILE A 156 1.949 4.449 13.335 1.00 1.56 O ATOM 2362 CB ILE A 156 -1.046 4.335 11.989 1.00 0.99 C ATOM 2363 CG1 ILE A 156 -2.333 5.164 11.998 1.00 1.45 C ATOM 2364 CG2 ILE A 156 -1.265 2.943 11.393 1.00 1.26 C ATOM 2365 CD1 ILE A 156 -3.419 4.478 12.830 1.00 1.14 C ATOM 0 H ILE A 156 -0.316 6.335 13.417 1.00 0.93 H new ATOM 0 HA ILE A 156 -1.068 3.535 13.937 1.00 0.81 H new ATOM 0 HB ILE A 156 -0.334 4.852 11.345 1.00 0.99 H new ATOM 0 HG12 ILE A 156 -2.129 6.155 12.405 1.00 1.45 H new ATOM 0 HG13 ILE A 156 -2.687 5.305 10.977 1.00 1.45 H new ATOM 0 HG21 ILE A 156 -1.694 3.038 10.396 1.00 1.26 H new ATOM 0 HG22 ILE A 156 -0.311 2.420 11.329 1.00 1.26 H new ATOM 0 HG23 ILE A 156 -1.946 2.378 12.029 1.00 1.26 H new ATOM 0 HD11 ILE A 156 -4.323 5.087 12.821 1.00 1.14 H new ATOM 0 HD12 ILE A 156 -3.637 3.498 12.406 1.00 1.14 H new ATOM 0 HD13 ILE A 156 -3.071 4.360 13.856 1.00 1.14 H new ATOM 2377 N THR A 157 1.071 2.372 13.517 1.00 0.81 N ATOM 2378 CA THR A 157 2.357 1.700 13.446 1.00 0.94 C ATOM 2379 C THR A 157 2.179 0.254 12.979 1.00 0.78 C ATOM 2380 O THR A 157 1.246 -0.428 13.401 1.00 0.73 O ATOM 2381 CB THR A 157 3.029 1.818 14.816 1.00 1.26 C ATOM 2382 OG1 THR A 157 1.947 2.045 15.714 1.00 1.54 O ATOM 2383 CG2 THR A 157 3.887 3.078 14.941 1.00 1.41 C ATOM 0 H THR A 157 0.272 1.752 13.651 1.00 0.81 H new ATOM 0 HA THR A 157 3.007 2.169 12.707 1.00 0.94 H new ATOM 0 HB THR A 157 3.648 0.939 14.994 1.00 1.26 H new ATOM 0 HG1 THR A 157 1.280 1.335 15.609 1.00 1.54 H new ATOM 0 HG21 THR A 157 4.340 3.113 15.932 1.00 1.41 H new ATOM 0 HG22 THR A 157 4.671 3.061 14.184 1.00 1.41 H new ATOM 0 HG23 THR A 157 3.262 3.959 14.797 1.00 1.41 H new ATOM 2391 N ILE A 158 3.088 -0.172 12.114 1.00 0.80 N ATOM 2392 CA ILE A 158 3.102 -1.552 11.662 1.00 0.70 C ATOM 2393 C ILE A 158 3.858 -2.410 12.678 1.00 0.69 C ATOM 2394 O ILE A 158 5.074 -2.289 12.816 1.00 0.83 O ATOM 2395 CB ILE A 158 3.663 -1.645 10.241 1.00 0.77 C ATOM 2396 CG1 ILE A 158 2.792 -0.864 9.255 1.00 1.02 C ATOM 2397 CG2 ILE A 158 3.843 -3.104 9.817 1.00 0.79 C ATOM 2398 CD1 ILE A 158 2.948 -1.410 7.835 1.00 1.35 C ATOM 0 H ILE A 158 3.820 0.415 11.714 1.00 0.80 H new ATOM 0 HA ILE A 158 2.087 -1.944 11.606 1.00 0.70 H new ATOM 0 HB ILE A 158 4.650 -1.184 10.233 1.00 0.77 H new ATOM 0 HG12 ILE A 158 1.747 -0.925 9.559 1.00 1.02 H new ATOM 0 HG13 ILE A 158 3.069 0.190 9.276 1.00 1.02 H new ATOM 0 HG21 ILE A 158 4.243 -3.142 8.804 1.00 0.79 H new ATOM 0 HG22 ILE A 158 4.535 -3.598 10.499 1.00 0.79 H new ATOM 0 HG23 ILE A 158 2.880 -3.613 9.846 1.00 0.79 H new ATOM 0 HD11 ILE A 158 2.318 -0.837 7.154 1.00 1.35 H new ATOM 0 HD12 ILE A 158 3.989 -1.325 7.525 1.00 1.35 H new ATOM 0 HD13 ILE A 158 2.647 -2.458 7.813 1.00 1.35 H new ATOM 2410 N ALA A 159 3.106 -3.259 13.364 1.00 0.72 N ATOM 2411 CA ALA A 159 3.691 -4.146 14.354 1.00 0.78 C ATOM 2412 C ALA A 159 4.655 -5.110 13.662 1.00 0.75 C ATOM 2413 O ALA A 159 5.857 -5.089 13.925 1.00 0.86 O ATOM 2414 CB ALA A 159 2.578 -4.876 15.108 1.00 0.83 C ATOM 0 H ALA A 159 2.096 -3.351 13.253 1.00 0.72 H new ATOM 0 HA ALA A 159 4.263 -3.578 15.088 1.00 0.78 H new ATOM 0 HB1 ALA A 159 3.018 -5.542 15.851 1.00 0.83 H new ATOM 0 HB2 ALA A 159 1.938 -4.148 15.607 1.00 0.83 H new ATOM 0 HB3 ALA A 159 1.984 -5.459 14.405 1.00 0.83 H new ATOM 2420 N ASP A 160 4.092 -5.934 12.790 1.00 0.69 N ATOM 2421 CA ASP A 160 4.881 -6.936 12.091 1.00 0.70 C ATOM 2422 C ASP A 160 4.098 -7.437 10.877 1.00 0.74 C ATOM 2423 O ASP A 160 2.917 -7.128 10.723 1.00 0.75 O ATOM 2424 CB ASP A 160 5.171 -8.136 12.994 1.00 0.75 C ATOM 2425 CG ASP A 160 6.145 -7.861 14.142 1.00 1.94 C ATOM 2426 OD1 ASP A 160 7.304 -7.513 13.832 1.00 3.36 O ATOM 2427 OD2 ASP A 160 5.707 -8.006 15.304 1.00 2.59 O ATOM 0 H ASP A 160 3.100 -5.929 12.551 1.00 0.69 H new ATOM 0 HA ASP A 160 5.822 -6.476 11.790 1.00 0.70 H new ATOM 0 HB2 ASP A 160 4.230 -8.492 13.413 1.00 0.75 H new ATOM 0 HB3 ASP A 160 5.573 -8.943 12.382 1.00 0.75 H new ATOM 2432 N CYS A 161 4.786 -8.204 10.043 1.00 0.87 N ATOM 2433 CA CYS A 161 4.181 -8.724 8.829 1.00 0.96 C ATOM 2434 C CYS A 161 5.046 -9.877 8.316 1.00 0.76 C ATOM 2435 O CYS A 161 6.090 -10.178 8.892 1.00 0.86 O ATOM 2436 CB CYS A 161 3.999 -7.632 7.774 1.00 1.34 C ATOM 2437 SG CYS A 161 5.578 -6.741 7.518 1.00 1.66 S ATOM 0 H CYS A 161 5.758 -8.478 10.185 1.00 0.87 H new ATOM 0 HA CYS A 161 3.179 -9.094 9.049 1.00 0.96 H new ATOM 0 HB2 CYS A 161 3.665 -8.074 6.835 1.00 1.34 H new ATOM 0 HB3 CYS A 161 3.225 -6.933 8.091 1.00 1.34 H new ATOM 0 HG CYS A 161 6.249 -7.312 6.562 1.00 1.66 H new ATOM 2443 N GLY A 162 4.579 -10.491 7.239 1.00 0.75 N ATOM 2444 CA GLY A 162 5.348 -11.533 6.580 1.00 0.97 C ATOM 2445 C GLY A 162 4.491 -12.281 5.556 1.00 0.79 C ATOM 2446 O GLY A 162 3.382 -11.855 5.240 1.00 1.40 O ATOM 0 H GLY A 162 3.678 -10.287 6.806 1.00 0.75 H new ATOM 0 HA2 GLY A 162 6.213 -11.093 6.084 1.00 0.97 H new ATOM 0 HA3 GLY A 162 5.729 -12.234 7.323 1.00 0.97 H new ATOM 2450 N GLN A 163 5.040 -13.383 5.066 1.00 0.88 N ATOM 2451 CA GLN A 163 4.356 -14.175 4.058 1.00 0.82 C ATOM 2452 C GLN A 163 3.735 -15.421 4.692 1.00 0.87 C ATOM 2453 O GLN A 163 4.362 -16.079 5.520 1.00 1.00 O ATOM 2454 CB GLN A 163 5.307 -14.554 2.921 1.00 1.15 C ATOM 2455 CG GLN A 163 4.670 -15.596 1.998 1.00 1.73 C ATOM 2456 CD GLN A 163 5.504 -15.786 0.729 1.00 2.08 C ATOM 2457 OE1 GLN A 163 5.189 -15.276 -0.333 1.00 2.88 O ATOM 2458 NE2 GLN A 163 6.582 -16.547 0.899 1.00 2.55 N ATOM 0 H GLN A 163 5.950 -13.746 5.348 1.00 0.88 H new ATOM 0 HA GLN A 163 3.555 -13.571 3.632 1.00 0.82 H new ATOM 0 HB2 GLN A 163 5.566 -13.664 2.347 1.00 1.15 H new ATOM 0 HB3 GLN A 163 6.235 -14.948 3.335 1.00 1.15 H new ATOM 0 HG2 GLN A 163 4.580 -16.546 2.524 1.00 1.73 H new ATOM 0 HG3 GLN A 163 3.661 -15.282 1.731 1.00 1.73 H new ATOM 0 HE21 GLN A 163 6.787 -16.943 1.816 1.00 2.55 H new ATOM 0 HE22 GLN A 163 7.203 -16.734 0.112 1.00 2.55 H new ATOM 2467 N LEU A 164 2.509 -15.709 4.279 1.00 0.97 N ATOM 2468 CA LEU A 164 1.813 -16.888 4.762 1.00 1.22 C ATOM 2469 C LEU A 164 2.314 -18.118 4.004 1.00 1.63 C ATOM 2470 O LEU A 164 1.604 -18.664 3.161 1.00 2.04 O ATOM 2471 CB LEU A 164 0.299 -16.689 4.679 1.00 1.02 C ATOM 2472 CG LEU A 164 -0.288 -15.610 5.592 1.00 0.97 C ATOM 2473 CD1 LEU A 164 -1.668 -15.167 5.101 1.00 1.03 C ATOM 2474 CD2 LEU A 164 -0.321 -16.081 7.047 1.00 1.33 C ATOM 0 H LEU A 164 1.980 -15.145 3.614 1.00 0.97 H new ATOM 0 HA LEU A 164 2.032 -17.053 5.817 1.00 1.22 H new ATOM 0 HB2 LEU A 164 0.041 -16.445 3.649 1.00 1.02 H new ATOM 0 HB3 LEU A 164 -0.185 -17.637 4.913 1.00 1.02 H new ATOM 0 HG LEU A 164 0.363 -14.737 5.551 1.00 0.97 H new ATOM 0 HD11 LEU A 164 -2.062 -14.400 5.768 1.00 1.03 H new ATOM 0 HD12 LEU A 164 -1.583 -14.762 4.092 1.00 1.03 H new ATOM 0 HD13 LEU A 164 -2.343 -16.023 5.093 1.00 1.03 H new ATOM 0 HD21 LEU A 164 -0.742 -15.295 7.674 1.00 1.33 H new ATOM 0 HD22 LEU A 164 -0.936 -16.977 7.125 1.00 1.33 H new ATOM 0 HD23 LEU A 164 0.692 -16.306 7.380 1.00 1.33 H new ATOM 2486 N GLU A 165 3.535 -18.517 4.330 1.00 1.99 N ATOM 2487 CA GLU A 165 4.139 -19.674 3.689 1.00 2.53 C ATOM 2488 C GLU A 165 3.568 -20.965 4.276 1.00 3.36 C ATOM 2489 O GLU A 165 3.749 -22.042 3.709 1.00 3.66 O ATOM 2490 CB GLU A 165 5.663 -19.639 3.821 1.00 3.16 C ATOM 2491 CG GLU A 165 6.092 -19.835 5.276 1.00 4.83 C ATOM 2492 CD GLU A 165 6.676 -21.232 5.492 1.00 5.82 C ATOM 2493 OE1 GLU A 165 7.771 -21.482 4.944 1.00 6.13 O ATOM 2494 OE2 GLU A 165 6.013 -22.021 6.201 1.00 6.92 O ATOM 0 H GLU A 165 4.122 -18.061 5.028 1.00 1.99 H new ATOM 0 HA GLU A 165 3.897 -19.644 2.627 1.00 2.53 H new ATOM 0 HB2 GLU A 165 6.103 -20.419 3.200 1.00 3.16 H new ATOM 0 HB3 GLU A 165 6.042 -18.686 3.452 1.00 3.16 H new ATOM 0 HG2 GLU A 165 6.833 -19.082 5.545 1.00 4.83 H new ATOM 0 HG3 GLU A 165 5.235 -19.689 5.934 1.00 4.83 H new TER 2501 GLU A 165 HETATM 2502 N DAL B 201 -7.766 18.202 -5.242 1.00 1.35 N HETATM 2503 CA DAL B 201 -8.523 17.058 -5.721 1.00 1.25 C HETATM 2504 CB DAL B 201 -10.020 17.349 -5.599 1.00 1.29 C HETATM 2505 C DAL B 201 -8.105 15.811 -4.939 1.00 1.14 C HETATM 2506 O DAL B 201 -7.492 15.916 -3.877 1.00 1.16 O HETATM 0 HB3 DAL B 201 -10.270 17.538 -4.555 1.00 1.29 H new HETATM 0 HB2 DAL B 201 -10.270 18.226 -6.197 1.00 1.29 H new HETATM 0 HB1 DAL B 201 -10.588 16.491 -5.958 1.00 1.29 H new HETATM 0 HA DAL B 201 -8.312 16.872 -6.774 1.00 1.25 H new HETATM 0 H DAL B 201 -8.254 19.028 -4.896 1.00 1.35 H new HETATM 2512 N MLE B 202 -8.453 14.660 -5.492 1.00 1.06 N HETATM 2513 CN MLE B 202 -9.233 14.514 -7.120 1.00 1.11 C HETATM 2514 CA MLE B 202 -8.224 13.400 -4.807 1.00 1.00 C HETATM 2515 CB MLE B 202 -9.554 12.753 -4.415 1.00 1.00 C HETATM 2516 CG MLE B 202 -10.616 13.696 -3.847 1.00 1.36 C HETATM 2517 CD1 MLE B 202 -11.950 12.969 -3.658 1.00 2.39 C HETATM 2518 CD2 MLE B 202 -10.132 14.350 -2.551 1.00 1.01 C HETATM 2519 C MLE B 202 -7.337 12.504 -5.675 1.00 0.94 C HETATM 2520 O MLE B 202 -7.782 11.463 -6.155 1.00 0.89 O HETATM 0 HD23 MLE B 202 -9.919 13.578 -1.811 1.00 1.01 H new HETATM 0 HD22 MLE B 202 -9.226 14.923 -2.749 1.00 1.01 H new HETATM 0 HD21 MLE B 202 -10.906 15.015 -2.168 1.00 1.01 H new HETATM 0 HD13 MLE B 202 -12.297 12.590 -4.619 1.00 2.39 H new HETATM 0 HD12 MLE B 202 -11.816 12.137 -2.967 1.00 2.39 H new HETATM 0 HD11 MLE B 202 -12.688 13.662 -3.253 1.00 2.39 H new HETATM 0 HN3 MLE B 202 -8.601 13.913 -7.774 1.00 1.11 H new HETATM 0 HN2 MLE B 202 -10.206 14.034 -7.016 1.00 1.11 H new HETATM 0 HN1 MLE B 202 -9.362 15.506 -7.552 1.00 1.11 H new HETATM 0 HG MLE B 202 -10.784 14.496 -4.568 1.00 1.36 H new HETATM 0 HB3 MLE B 202 -9.968 12.259 -5.294 1.00 1.00 H new HETATM 0 HB2 MLE B 202 -9.354 11.976 -3.677 1.00 1.00 H new HETATM 0 HA MLE B 202 -7.689 13.568 -3.872 1.00 1.00 H new HETATM 2531 N MLE B 203 -6.100 12.944 -5.852 1.00 0.98 N HETATM 2532 CN MLE B 203 -5.481 14.514 -5.199 1.00 1.10 C HETATM 2533 CA MLE B 203 -5.131 12.167 -6.605 1.00 0.95 C HETATM 2534 CB MLE B 203 -4.399 13.055 -7.614 1.00 0.95 C HETATM 2535 CG MLE B 203 -5.285 13.932 -8.500 1.00 0.99 C HETATM 2536 CD1 MLE B 203 -4.466 14.589 -9.614 1.00 1.02 C HETATM 2537 CD2 MLE B 203 -6.467 13.135 -9.054 1.00 0.96 C HETATM 2538 C MLE B 203 -4.197 11.443 -5.633 1.00 0.97 C HETATM 2539 O MLE B 203 -3.948 11.927 -4.529 1.00 1.03 O HETATM 0 HD23 MLE B 203 -6.096 12.300 -9.649 1.00 0.96 H new HETATM 0 HD22 MLE B 203 -7.068 12.754 -8.228 1.00 0.96 H new HETATM 0 HD21 MLE B 203 -7.081 13.782 -9.680 1.00 0.96 H new HETATM 0 HD13 MLE B 203 -3.687 15.211 -9.174 1.00 1.02 H new HETATM 0 HD12 MLE B 203 -4.008 13.817 -10.233 1.00 1.02 H new HETATM 0 HD11 MLE B 203 -5.119 15.207 -10.230 1.00 1.02 H new HETATM 0 HN3 MLE B 203 -4.644 14.324 -4.527 1.00 1.10 H new HETATM 0 HN2 MLE B 203 -5.148 15.145 -6.023 1.00 1.10 H new HETATM 0 HN1 MLE B 203 -6.277 15.020 -4.653 1.00 1.10 H new HETATM 0 HG MLE B 203 -5.696 14.733 -7.885 1.00 0.99 H new HETATM 0 HB3 MLE B 203 -3.712 13.701 -7.068 1.00 0.95 H new HETATM 0 HB2 MLE B 203 -3.793 12.417 -8.258 1.00 0.95 H new HETATM 0 HA MLE B 203 -5.634 11.401 -7.195 1.00 0.95 H new HETATM 2550 N MVA B 204 -3.705 10.297 -6.077 1.00 0.96 N HETATM 2551 CN MVA B 204 -3.959 9.670 -7.756 1.00 0.96 C HETATM 2552 CA MVA B 204 -2.906 9.441 -5.217 1.00 1.01 C HETATM 2553 CB MVA B 204 -3.583 8.077 -5.060 1.00 1.14 C HETATM 2554 CG1 MVA B 204 -2.906 7.252 -3.964 1.00 1.30 C HETATM 2555 CG2 MVA B 204 -5.078 8.236 -4.782 1.00 1.17 C HETATM 2556 C MVA B 204 -1.486 9.342 -5.778 1.00 0.91 C HETATM 2557 O MVA B 204 -1.162 8.395 -6.492 1.00 0.85 O HETATM 0 HG23 MVA B 204 -5.219 8.804 -3.862 1.00 1.17 H new HETATM 0 HG22 MVA B 204 -5.548 8.766 -5.611 1.00 1.17 H new HETATM 0 HG21 MVA B 204 -5.535 7.252 -4.675 1.00 1.17 H new HETATM 0 HG13 MVA B 204 -1.859 7.095 -4.222 1.00 1.30 H new HETATM 0 HG12 MVA B 204 -2.970 7.785 -3.015 1.00 1.30 H new HETATM 0 HG11 MVA B 204 -3.406 6.288 -3.873 1.00 1.30 H new HETATM 0 HN3 MVA B 204 -2.994 9.546 -8.248 1.00 0.96 H new HETATM 0 HN2 MVA B 204 -4.470 8.708 -7.712 1.00 0.96 H new HETATM 0 HN1 MVA B 204 -4.566 10.377 -8.321 1.00 0.96 H new HETATM 0 HB MVA B 204 -3.473 7.538 -6.001 1.00 1.14 H new HETATM 0 HA MVA B 204 -2.831 9.869 -4.217 1.00 1.01 H new HETATM 2566 N BMT B 205 -0.700 10.436 -5.590 1.00 0.95 N HETATM 2567 CN BMT B 205 -0.960 11.503 -4.151 1.00 1.06 C HETATM 2568 CA BMT B 205 0.621 10.525 -6.190 1.00 1.01 C HETATM 2569 C BMT B 205 1.702 10.260 -5.140 1.00 1.03 C HETATM 2570 O BMT B 205 1.414 9.733 -4.067 1.00 1.11 O HETATM 2571 CB BMT B 205 0.746 11.895 -6.859 1.00 1.13 C HETATM 2572 OG1 BMT B 205 0.765 12.813 -5.770 1.00 1.17 O HETATM 2573 CG2 BMT B 205 -0.509 12.278 -7.647 1.00 1.23 C HETATM 2574 CD1 BMT B 205 -0.847 11.192 -8.670 1.00 1.32 C HETATM 2575 CD2 BMT B 205 -0.503 13.636 -8.207 1.00 1.67 C HETATM 2576 CE BMT B 205 0.647 14.020 -9.007 1.00 1.40 C HETATM 2577 CZ BMT B 205 1.490 14.962 -8.870 1.00 1.78 C HETATM 2578 CH BMT B 205 2.641 15.387 -9.748 1.00 1.61 C HETATM 0 HD23 BMT B 205 -1.396 13.752 -8.822 1.00 1.67 H new HETATM 0 HD22 BMT B 205 -0.591 14.342 -7.381 1.00 1.67 H new HETATM 0 HD13 BMT B 205 -0.014 11.074 -9.364 1.00 1.32 H new HETATM 0 HD12 BMT B 205 -1.026 10.249 -8.154 1.00 1.32 H new HETATM 0 HD11 BMT B 205 -1.742 11.479 -9.223 1.00 1.32 H new HETATM 0 HZ BMT B 205 1.360 15.562 -7.969 1.00 1.78 H new HETATM 0 HN3 BMT B 205 -0.245 11.242 -3.371 1.00 1.06 H new HETATM 0 HN2 BMT B 205 -0.818 12.544 -4.440 1.00 1.06 H new HETATM 0 HN1 BMT B 205 -1.974 11.366 -3.775 1.00 1.06 H new HETATM 0 HH3 BMT B 205 3.348 14.563 -9.846 1.00 1.61 H new HETATM 0 HH2 BMT B 205 2.265 15.661 -10.734 1.00 1.61 H new HETATM 0 HH1 BMT B 205 3.143 16.244 -9.300 1.00 1.61 H new HETATM 0 HG2 BMT B 205 -1.324 12.326 -6.924 1.00 1.23 H new HETATM 0 HG1 BMT B 205 -0.033 13.381 -5.807 1.00 1.17 H new HETATM 0 HE BMT B 205 0.817 13.389 -9.879 1.00 1.40 H new HETATM 0 HB BMT B 205 1.608 11.896 -7.526 1.00 1.13 H new HETATM 0 HA BMT B 205 0.760 9.761 -6.955 1.00 1.01 H new HETATM 2593 N ABA B 206 2.923 10.639 -5.487 1.00 1.09 N HETATM 2594 CA ABA B 206 4.076 10.278 -4.679 1.00 1.17 C HETATM 2595 C ABA B 206 5.081 11.431 -4.638 1.00 1.20 C HETATM 2596 O ABA B 206 6.094 11.403 -5.335 1.00 1.32 O HETATM 2597 CB ABA B 206 4.662 8.983 -5.244 1.00 1.39 C HETATM 2598 CG ABA B 206 3.605 7.890 -5.421 1.00 1.41 C HETATM 0 HG3 ABA B 206 2.834 8.237 -6.109 1.00 1.41 H new HETATM 0 HG2 ABA B 206 3.153 7.661 -4.456 1.00 1.41 H new HETATM 0 HG1 ABA B 206 4.074 6.993 -5.825 1.00 1.41 H new HETATM 0 HB3 ABA B 206 5.446 8.622 -4.578 1.00 1.39 H new HETATM 0 HB2 ABA B 206 5.131 9.190 -6.206 1.00 1.39 H new HETATM 0 HA ABA B 206 3.791 10.099 -3.642 1.00 1.17 H new HETATM 0 H ABA B 206 2.877 11.558 -5.928 1.00 1.09 H new HETATM 2606 N SAR B 207 4.764 12.420 -3.813 1.00 1.21 N HETATM 2607 CA SAR B 207 5.693 13.566 -3.598 1.00 1.40 C HETATM 2608 C SAR B 207 5.129 14.978 -3.362 1.00 1.45 C HETATM 2609 O SAR B 207 5.552 15.812 -2.574 1.00 1.65 O HETATM 2610 CN SAR B 207 3.134 12.292 -2.963 1.00 1.21 C HETATM 0 HN3 SAR B 207 3.287 12.274 -1.884 1.00 1.21 H new HETATM 0 HN2 SAR B 207 2.517 13.151 -3.228 1.00 1.21 H new HETATM 0 HN1 SAR B 207 2.633 11.375 -3.274 1.00 1.21 H new HETATM 0 HA3 SAR B 207 6.319 13.319 -2.741 1.00 1.40 H new HETATM 0 HA2 SAR B 207 6.349 13.620 -4.467 1.00 1.40 H new HETATM 2613 N MLE B 208 4.077 15.292 -4.103 1.00 1.29 N HETATM 2614 CN MLE B 208 3.159 14.440 -5.409 1.00 1.10 C HETATM 2615 CA MLE B 208 3.580 16.616 -3.767 1.00 1.34 C HETATM 2616 CB MLE B 208 4.470 17.696 -4.385 1.00 1.46 C HETATM 2617 CG MLE B 208 4.971 17.420 -5.805 1.00 1.86 C HETATM 2618 CD1 MLE B 208 5.910 16.213 -5.830 1.00 3.49 C HETATM 2619 CD2 MLE B 208 3.801 17.257 -6.777 1.00 2.39 C HETATM 2620 C MLE B 208 2.110 16.722 -4.174 1.00 1.17 C HETATM 2621 O MLE B 208 1.786 17.346 -5.185 1.00 1.24 O HETATM 0 HD23 MLE B 208 3.177 16.422 -6.458 1.00 2.39 H new HETATM 0 HD22 MLE B 208 3.207 18.171 -6.788 1.00 2.39 H new HETATM 0 HD21 MLE B 208 4.184 17.062 -7.778 1.00 2.39 H new HETATM 0 HD13 MLE B 208 6.769 16.407 -5.188 1.00 3.49 H new HETATM 0 HD12 MLE B 208 5.379 15.332 -5.469 1.00 3.49 H new HETATM 0 HD11 MLE B 208 6.251 16.039 -6.850 1.00 3.49 H new HETATM 0 HN3 MLE B 208 2.121 14.315 -5.102 1.00 1.10 H new HETATM 0 HN2 MLE B 208 3.198 15.030 -6.325 1.00 1.10 H new HETATM 0 HN1 MLE B 208 3.605 13.462 -5.588 1.00 1.10 H new HETATM 0 HG MLE B 208 5.548 18.283 -6.138 1.00 1.86 H new HETATM 0 HB3 MLE B 208 3.916 18.635 -4.392 1.00 1.46 H new HETATM 0 HB2 MLE B 208 5.335 17.841 -3.737 1.00 1.46 H new HETATM 0 HA MLE B 208 3.625 16.778 -2.690 1.00 1.34 H new ATOM 2632 N VAL B 209 1.259 16.105 -3.368 1.00 1.18 N ATOM 2633 CA VAL B 209 -0.151 16.002 -3.706 1.00 1.08 C ATOM 2634 C VAL B 209 -0.707 17.399 -3.987 1.00 1.11 C ATOM 2635 O VAL B 209 -0.333 18.365 -3.323 1.00 1.25 O ATOM 2636 CB VAL B 209 -0.903 15.272 -2.592 1.00 1.26 C ATOM 2637 CG1 VAL B 209 -2.364 15.034 -2.981 1.00 1.28 C ATOM 2638 CG2 VAL B 209 -0.211 13.956 -2.234 1.00 1.30 C ATOM 0 H VAL B 209 1.518 15.671 -2.482 1.00 1.18 H new ATOM 0 HA VAL B 209 -0.285 15.411 -4.612 1.00 1.08 H new ATOM 0 HB VAL B 209 -0.891 15.909 -1.707 1.00 1.26 H new ATOM 0 HG11 VAL B 209 -2.876 14.513 -2.172 1.00 1.28 H new ATOM 0 HG12 VAL B 209 -2.853 15.991 -3.163 1.00 1.28 H new ATOM 0 HG13 VAL B 209 -2.405 14.428 -3.886 1.00 1.28 H new ATOM 0 HG21 VAL B 209 -0.766 13.457 -1.440 1.00 1.30 H new ATOM 0 HG22 VAL B 209 -0.177 13.312 -3.113 1.00 1.30 H new ATOM 0 HG23 VAL B 209 0.805 14.160 -1.894 1.00 1.30 H new HETATM 2648 N MLE B 210 -1.593 17.462 -4.970 1.00 1.04 N HETATM 2649 CN MLE B 210 -2.091 16.042 -5.976 1.00 0.93 C HETATM 2650 CA MLE B 210 -2.239 18.716 -5.315 1.00 1.15 C HETATM 2651 CB MLE B 210 -1.970 19.073 -6.779 1.00 1.18 C HETATM 2652 CG MLE B 210 -0.552 18.804 -7.285 1.00 1.19 C HETATM 2653 CD1 MLE B 210 -0.501 18.830 -8.814 1.00 1.29 C HETATM 2654 CD2 MLE B 210 0.447 19.781 -6.662 1.00 1.33 C HETATM 2655 C MLE B 210 -3.726 18.631 -4.968 1.00 1.19 C HETATM 2656 O MLE B 210 -4.165 17.673 -4.333 1.00 1.15 O HETATM 0 HD23 MLE B 210 0.170 20.802 -6.925 1.00 1.33 H new HETATM 0 HD22 MLE B 210 0.436 19.670 -5.578 1.00 1.33 H new HETATM 0 HD21 MLE B 210 1.447 19.568 -7.039 1.00 1.33 H new HETATM 0 HD13 MLE B 210 -1.165 18.064 -9.213 1.00 1.29 H new HETATM 0 HD12 MLE B 210 -0.820 19.809 -9.172 1.00 1.29 H new HETATM 0 HD11 MLE B 210 0.518 18.636 -9.147 1.00 1.29 H new HETATM 0 HN3 MLE B 210 -3.164 15.879 -5.870 1.00 0.93 H new HETATM 0 HN2 MLE B 210 -1.855 16.237 -7.022 1.00 0.93 H new HETATM 0 HN1 MLE B 210 -1.555 15.154 -5.642 1.00 0.93 H new HETATM 0 HG MLE B 210 -0.262 17.802 -6.970 1.00 1.19 H new HETATM 0 HB3 MLE B 210 -2.669 18.515 -7.403 1.00 1.18 H new HETATM 0 HB2 MLE B 210 -2.190 20.131 -6.921 1.00 1.18 H new HETATM 0 HA MLE B 210 -1.820 19.534 -4.729 1.00 1.15 H new ATOM 2667 N ALA B 211 -4.462 19.646 -5.397 1.00 1.31 N ATOM 2668 CA ALA B 211 -5.887 19.708 -5.122 1.00 1.39 C ATOM 2669 C ALA B 211 -6.575 18.492 -5.748 1.00 1.24 C ATOM 2670 O ALA B 211 -6.029 17.861 -6.650 1.00 1.14 O ATOM 2671 CB ALA B 211 -6.451 21.030 -5.643 1.00 1.61 C ATOM 0 H ALA B 211 -4.097 20.433 -5.934 1.00 1.31 H new ATOM 0 HA ALA B 211 -6.073 19.676 -4.048 1.00 1.39 H new ATOM 0 HB1 ALA B 211 -7.520 21.076 -5.436 1.00 1.61 H new ATOM 0 HB2 ALA B 211 -5.949 21.861 -5.146 1.00 1.61 H new ATOM 0 HB3 ALA B 211 -6.286 21.097 -6.718 1.00 1.61 H new TER 2677 ALA B 211