USER MOD reduce.3.24.130724 H: found=0, std=0, add=1349, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1346 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 114 CYS SG : rot 87:sc= 0.76 USER MOD Set 1.2: A 120 GLN : amide:sc= -1.88! C(o=-1.1!,f=-5.7!) USER MOD Set 2.1: A 92 GLN : amide:sc= -1.73! C(o=-1.7!,f=-3.5!) USER MOD Set 2.2: A 111 THR OG1 : rot 156:sc= 0.0315 USER MOD Set 3.1: A 69 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 70 GLN : amide:sc= 0 X(o=0,f=0.18) USER MOD Set 4.1: A 49 TYR OH : rot 150:sc= -0.262 USER MOD Set 4.2: A 58 MET CE :methyl -148:sc= -0.438 (180deg=-1.2) USER MOD Set 5.1: A 22 CYS SG : rot -98:sc= 2.04 USER MOD Set 5.2: A 26 CYS SG : rot 107:sc= 1.29 USER MOD Set 6.1: A 8 SER OG : rot 14:sc= -0.0791 USER MOD Set 6.2: A 10 TYR OH : rot 180:sc= -0.284 USER MOD Single : A 6 LYS NZ :NH3+ -138:sc= -3.92! (180deg=-6.74!) USER MOD Single : A 14 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.9!) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.175 F(o=-0.96,f=-0.18) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.00902 USER MOD Single : A 36 CYS SG : rot 19:sc= -2.71! USER MOD Single : A 37 ASN : amide:sc= -0.0359 K(o=-0.036,f=-0.71) USER MOD Single : A 38 SER OG : rot -158:sc= -1.01 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN :FLIP amide:sc= 0.461 F(o=-1.1,f=0.46) USER MOD Single : A 55 SER OG : rot 56:sc= 0.341 USER MOD Single : A 57 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.34) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.137 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -2.32! C(o=-2.3!,f=-3!) USER MOD Single : A 81 SER OG : rot -160:sc= -1.5! USER MOD Single : A 82 CYS SG : rot 34:sc= -0.385 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -8.79! C(o=-8.8!,f=-13!) USER MOD Single : A 100 LYS NZ :NH3+ -137:sc= -0.356 (180deg=-1.1) USER MOD Single : A 104 ASN : amide:sc= -0.53! C(o=-0.53!,f=-6.4!) USER MOD Single : A 106 GLN : amide:sc= -0.414 K(o=-0.41,f=-1.3) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 30:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0239 USER MOD Single : A 116 SER OG : rot 39:sc= -0.114 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HD1:sc= -0.372 K(o=-0.37,f=-0.91) USER MOD Single : A 127 HIS : no HD1:sc= -0.633 X(o=-0.63,f=-0.51) USER MOD Single : A 128 SER OG : rot 143:sc= 0.154 USER MOD Single : A 129 CYS SG : rot 40:sc= -0.692 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 THR OG1 : rot 180:sc= -0.533 USER MOD Single : A 139 TYR OH : rot 180:sc= -0.0849 USER MOD Single : A 143 ASN : amide:sc= -0.513 X(o=-0.51,f=-0.98) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -1.28 X(o=-1.3,f=-0.81) USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ -166:sc= -4.62! (180deg=-5!) USER MOD Single : A 154 LYS NZ :NH3+ -167:sc=-0.00759 (180deg=-0.231) USER MOD Single : A 156 TYR OH : rot 15:sc= 0 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 SER OG : rot 180:sc= -0.372 USER MOD Single : A 170 GLN : amide:sc= -0.0686 X(o=-0.069,f=-0.55) USER MOD Single : A 171 SER OG : rot -132:sc= -0.622 USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 13.666 -11.765 1.340 1.00 0.01 N ATOM 58 CA GLY A 5 13.488 -10.749 0.266 1.00 0.01 C ATOM 59 C GLY A 5 14.630 -9.733 0.342 1.00 0.01 C ATOM 60 O GLY A 5 15.245 -9.558 1.376 1.00 0.01 O ATOM 0 HA2 GLY A 5 13.479 -11.232 -0.711 1.00 0.01 H new ATOM 0 HA3 GLY A 5 12.528 -10.245 0.381 1.00 0.01 H new ATOM 64 N LYS A 6 14.930 -9.064 -0.743 1.00 0.00 N ATOM 65 CA LYS A 6 16.045 -8.068 -0.714 1.00 0.01 C ATOM 66 C LYS A 6 15.766 -6.929 -1.688 1.00 0.01 C ATOM 67 O LYS A 6 15.334 -7.141 -2.809 1.00 0.00 O ATOM 68 CB LYS A 6 17.369 -8.746 -1.079 1.00 0.02 C ATOM 69 CG LYS A 6 18.478 -7.694 -1.183 1.00 0.02 C ATOM 70 CD LYS A 6 19.846 -8.384 -1.147 1.00 0.02 C ATOM 71 CE LYS A 6 19.907 -9.475 -2.220 1.00 0.02 C ATOM 72 NZ LYS A 6 19.178 -10.683 -1.739 1.00 0.02 N ATOM 0 H LYS A 6 14.456 -9.163 -1.641 1.00 0.00 H new ATOM 0 HA LYS A 6 16.117 -7.661 0.295 1.00 0.01 H new ATOM 0 HB2 LYS A 6 17.629 -9.488 -0.324 1.00 0.02 H new ATOM 0 HB3 LYS A 6 17.268 -9.276 -2.026 1.00 0.02 H new ATOM 0 HG2 LYS A 6 18.370 -7.127 -2.108 1.00 0.02 H new ATOM 0 HG3 LYS A 6 18.397 -6.983 -0.361 1.00 0.02 H new ATOM 0 HD2 LYS A 6 20.637 -7.653 -1.314 1.00 0.02 H new ATOM 0 HD3 LYS A 6 20.018 -8.820 -0.163 1.00 0.02 H new ATOM 0 HE2 LYS A 6 19.463 -9.114 -3.147 1.00 0.02 H new ATOM 0 HE3 LYS A 6 20.944 -9.726 -2.440 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 19.719 -11.536 -1.986 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 19.065 -10.632 -0.706 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 18.241 -10.725 -2.189 1.00 0.02 H new ATOM 86 N ILE A 7 16.035 -5.718 -1.252 1.00 0.02 N ATOM 87 CA ILE A 7 15.823 -4.513 -2.114 1.00 0.00 C ATOM 88 C ILE A 7 17.084 -3.640 -2.080 1.00 0.02 C ATOM 89 O ILE A 7 17.706 -3.474 -1.050 1.00 0.01 O ATOM 90 CB ILE A 7 14.597 -3.740 -1.612 1.00 0.02 C ATOM 91 CG1 ILE A 7 14.495 -2.393 -2.342 1.00 0.02 C ATOM 92 CG2 ILE A 7 14.723 -3.493 -0.110 1.00 0.01 C ATOM 93 CD1 ILE A 7 13.143 -1.741 -2.035 1.00 0.02 C ATOM 0 H ILE A 7 16.398 -5.514 -0.321 1.00 0.02 H new ATOM 0 HA ILE A 7 15.640 -4.812 -3.146 1.00 0.00 H new ATOM 0 HB ILE A 7 13.701 -4.328 -1.811 1.00 0.02 H new ATOM 0 HG12 ILE A 7 15.306 -1.736 -2.028 1.00 0.02 H new ATOM 0 HG13 ILE A 7 14.603 -2.542 -3.416 1.00 0.02 H new ATOM 0 HG21 ILE A 7 13.850 -2.944 0.243 1.00 0.01 H new ATOM 0 HG22 ILE A 7 14.786 -4.448 0.412 1.00 0.01 H new ATOM 0 HG23 ILE A 7 15.623 -2.911 0.089 1.00 0.01 H new ATOM 0 HD11 ILE A 7 13.074 -0.785 -2.554 1.00 0.02 H new ATOM 0 HD12 ILE A 7 12.339 -2.396 -2.371 1.00 0.02 H new ATOM 0 HD13 ILE A 7 13.053 -1.578 -0.961 1.00 0.02 H new ATOM 105 N SER A 8 17.460 -3.076 -3.205 1.00 0.02 N ATOM 106 CA SER A 8 18.680 -2.199 -3.261 1.00 0.02 C ATOM 107 C SER A 8 18.298 -0.797 -3.754 1.00 0.01 C ATOM 108 O SER A 8 17.639 -0.641 -4.761 1.00 0.02 O ATOM 109 CB SER A 8 19.720 -2.807 -4.207 1.00 0.30 C ATOM 110 OG SER A 8 21.005 -2.314 -3.861 1.00 0.39 O ATOM 0 H SER A 8 16.972 -3.185 -4.094 1.00 0.02 H new ATOM 0 HA SER A 8 19.104 -2.125 -2.259 1.00 0.02 H new ATOM 0 HB2 SER A 8 19.703 -3.895 -4.136 1.00 0.30 H new ATOM 0 HB3 SER A 8 19.484 -2.551 -5.240 1.00 0.30 H new ATOM 0 HG SER A 8 20.966 -1.891 -2.978 1.00 0.39 H new ATOM 116 N PHE A 9 18.730 0.223 -3.045 1.00 0.02 N ATOM 117 CA PHE A 9 18.427 1.635 -3.451 1.00 0.01 C ATOM 118 C PHE A 9 19.722 2.323 -3.918 1.00 0.01 C ATOM 119 O PHE A 9 20.775 2.126 -3.338 1.00 0.02 O ATOM 120 CB PHE A 9 17.858 2.401 -2.247 1.00 0.02 C ATOM 121 CG PHE A 9 16.916 1.515 -1.465 1.00 0.01 C ATOM 122 CD1 PHE A 9 17.430 0.497 -0.654 1.00 0.01 C ATOM 123 CD2 PHE A 9 15.531 1.720 -1.538 1.00 0.01 C ATOM 124 CE1 PHE A 9 16.562 -0.317 0.082 1.00 0.02 C ATOM 125 CE2 PHE A 9 14.663 0.906 -0.799 1.00 0.02 C ATOM 126 CZ PHE A 9 15.179 -0.111 0.010 1.00 0.02 C ATOM 0 H PHE A 9 19.285 0.135 -2.194 1.00 0.02 H new ATOM 0 HA PHE A 9 17.699 1.630 -4.263 1.00 0.01 H new ATOM 0 HB2 PHE A 9 18.671 2.738 -1.604 1.00 0.02 H new ATOM 0 HB3 PHE A 9 17.332 3.292 -2.589 1.00 0.02 H new ATOM 0 HD1 PHE A 9 18.497 0.340 -0.596 1.00 0.01 H new ATOM 0 HD2 PHE A 9 15.133 2.505 -2.164 1.00 0.01 H new ATOM 0 HE1 PHE A 9 16.959 -1.104 0.706 1.00 0.02 H new ATOM 0 HE2 PHE A 9 13.596 1.064 -0.854 1.00 0.02 H new ATOM 0 HZ PHE A 9 14.510 -0.738 0.580 1.00 0.02 H new ATOM 136 N TYR A 10 19.657 3.127 -4.960 1.00 0.02 N ATOM 137 CA TYR A 10 20.889 3.828 -5.467 1.00 0.01 C ATOM 138 C TYR A 10 20.661 5.342 -5.453 1.00 0.02 C ATOM 139 O TYR A 10 19.591 5.826 -5.773 1.00 0.01 O ATOM 140 CB TYR A 10 21.174 3.378 -6.902 1.00 0.02 C ATOM 141 CG TYR A 10 21.052 1.873 -6.998 1.00 0.02 C ATOM 142 CD1 TYR A 10 19.788 1.272 -6.973 1.00 0.02 C ATOM 143 CD2 TYR A 10 22.200 1.079 -7.117 1.00 0.00 C ATOM 144 CE1 TYR A 10 19.672 -0.119 -7.069 1.00 0.02 C ATOM 145 CE2 TYR A 10 22.083 -0.313 -7.211 1.00 0.02 C ATOM 146 CZ TYR A 10 20.821 -0.912 -7.187 1.00 0.00 C ATOM 147 OH TYR A 10 20.706 -2.283 -7.282 1.00 0.02 O ATOM 0 H TYR A 10 18.804 3.328 -5.481 1.00 0.02 H new ATOM 0 HA TYR A 10 21.735 3.580 -4.826 1.00 0.01 H new ATOM 0 HB2 TYR A 10 20.474 3.854 -7.588 1.00 0.02 H new ATOM 0 HB3 TYR A 10 22.175 3.691 -7.200 1.00 0.02 H new ATOM 0 HD1 TYR A 10 18.902 1.882 -6.880 1.00 0.02 H new ATOM 0 HD2 TYR A 10 23.176 1.541 -7.136 1.00 0.00 H new ATOM 0 HE1 TYR A 10 18.696 -0.582 -7.052 1.00 0.02 H new ATOM 0 HE2 TYR A 10 22.969 -0.924 -7.302 1.00 0.02 H new ATOM 0 HH TYR A 10 21.598 -2.682 -7.359 1.00 0.02 H new ATOM 157 N GLU A 11 21.648 6.099 -5.047 1.00 0.00 N ATOM 158 CA GLU A 11 21.465 7.576 -4.971 1.00 0.02 C ATOM 159 C GLU A 11 21.354 8.207 -6.360 1.00 0.03 C ATOM 160 O GLU A 11 20.734 9.241 -6.511 1.00 0.03 O ATOM 161 CB GLU A 11 22.655 8.196 -4.241 1.00 0.00 C ATOM 162 CG GLU A 11 22.699 7.677 -2.805 1.00 0.00 C ATOM 163 CD GLU A 11 23.723 8.481 -2.000 1.00 0.02 C ATOM 164 OE1 GLU A 11 24.653 8.989 -2.603 1.00 0.02 O ATOM 165 OE2 GLU A 11 23.560 8.571 -0.794 1.00 0.01 O ATOM 0 H GLU A 11 22.568 5.759 -4.766 1.00 0.00 H new ATOM 0 HA GLU A 11 20.537 7.769 -4.433 1.00 0.02 H new ATOM 0 HB2 GLU A 11 23.582 7.947 -4.757 1.00 0.00 H new ATOM 0 HB3 GLU A 11 22.571 9.283 -4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.714 7.761 -2.347 1.00 0.00 H new ATOM 0 HG3 GLU A 11 22.964 6.620 -2.798 1.00 0.00 H new ATOM 172 N ASP A 12 21.935 7.615 -7.380 1.00 0.02 N ATOM 173 CA ASP A 12 21.839 8.216 -8.752 1.00 0.01 C ATOM 174 C ASP A 12 21.037 7.298 -9.678 1.00 0.02 C ATOM 175 O ASP A 12 20.713 6.174 -9.344 1.00 0.02 O ATOM 176 CB ASP A 12 23.244 8.399 -9.334 1.00 0.01 C ATOM 177 CG ASP A 12 23.173 9.283 -10.580 1.00 0.01 C ATOM 178 OD1 ASP A 12 23.253 10.490 -10.429 1.00 0.03 O ATOM 179 OD2 ASP A 12 23.039 8.739 -11.663 1.00 0.02 O ATOM 0 H ASP A 12 22.468 6.747 -7.323 1.00 0.02 H new ATOM 0 HA ASP A 12 21.338 9.181 -8.674 1.00 0.01 H new ATOM 0 HB2 ASP A 12 23.900 8.853 -8.591 1.00 0.01 H new ATOM 0 HB3 ASP A 12 23.672 7.429 -9.588 1.00 0.01 H new ATOM 184 N ARG A 13 20.713 7.791 -10.839 1.00 0.02 N ATOM 185 CA ARG A 13 19.923 6.996 -11.822 1.00 0.02 C ATOM 186 C ARG A 13 20.813 5.939 -12.484 1.00 0.00 C ATOM 187 O ARG A 13 22.022 6.055 -12.520 1.00 0.02 O ATOM 188 CB ARG A 13 19.383 7.950 -12.890 1.00 0.00 C ATOM 189 CG ARG A 13 18.289 8.833 -12.284 1.00 0.01 C ATOM 190 CD ARG A 13 17.670 9.705 -13.378 1.00 0.02 C ATOM 191 NE ARG A 13 18.745 10.203 -14.284 1.00 0.03 N ATOM 192 CZ ARG A 13 18.435 10.710 -15.447 1.00 0.02 C ATOM 193 NH1 ARG A 13 17.184 10.779 -15.817 1.00 0.02 N ATOM 194 NH2 ARG A 13 19.375 11.146 -16.240 1.00 0.02 N ATOM 0 H ARG A 13 20.966 8.727 -11.155 1.00 0.02 H new ATOM 0 HA ARG A 13 19.102 6.491 -11.313 1.00 0.02 H new ATOM 0 HB2 ARG A 13 20.190 8.570 -13.280 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.983 7.382 -13.730 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.521 8.213 -11.821 1.00 0.01 H new ATOM 0 HG3 ARG A 13 18.708 9.461 -11.498 1.00 0.01 H new ATOM 0 HD2 ARG A 13 16.938 9.130 -13.946 1.00 0.02 H new ATOM 0 HD3 ARG A 13 17.138 10.545 -12.931 1.00 0.02 H new ATOM 0 HE ARG A 13 19.722 10.148 -13.995 1.00 0.03 H new ATOM 0 HH11 ARG A 13 16.449 10.437 -15.198 1.00 0.02 H new ATOM 0 HH12 ARG A 13 16.942 11.175 -16.725 1.00 0.02 H new ATOM 0 HH21 ARG A 13 20.352 11.091 -15.952 1.00 0.02 H new ATOM 0 HH22 ARG A 13 19.133 11.542 -17.148 1.00 0.02 H new ATOM 208 N ASN A 14 20.204 4.911 -13.021 1.00 0.02 N ATOM 209 CA ASN A 14 20.973 3.832 -13.707 1.00 0.02 C ATOM 210 C ASN A 14 21.853 3.063 -12.714 1.00 0.02 C ATOM 211 O ASN A 14 22.917 2.570 -13.042 1.00 0.02 O ATOM 212 CB ASN A 14 21.824 4.455 -14.820 1.00 0.26 C ATOM 213 CG ASN A 14 21.044 5.594 -15.483 1.00 0.12 C ATOM 214 OD1 ASN A 14 19.829 5.613 -15.453 1.00 0.74 O ATOM 215 ND2 ASN A 14 21.693 6.552 -16.082 1.00 0.46 N ATOM 0 H ASN A 14 19.193 4.774 -13.012 1.00 0.02 H new ATOM 0 HA ASN A 14 20.274 3.117 -14.141 1.00 0.02 H new ATOM 0 HB2 ASN A 14 22.760 4.832 -14.408 1.00 0.26 H new ATOM 0 HB3 ASN A 14 22.083 3.698 -15.561 1.00 0.26 H new ATOM 0 HD21 ASN A 14 21.181 7.316 -16.524 1.00 0.46 H new ATOM 0 HD22 ASN A 14 22.713 6.538 -16.109 1.00 0.46 H new ATOM 222 N PHE A 15 21.374 2.937 -11.505 1.00 0.02 N ATOM 223 CA PHE A 15 22.112 2.174 -10.453 1.00 0.02 C ATOM 224 C PHE A 15 23.536 2.712 -10.274 1.00 0.00 C ATOM 225 O PHE A 15 24.478 1.963 -10.117 1.00 0.02 O ATOM 226 CB PHE A 15 22.173 0.690 -10.854 1.00 0.02 C ATOM 227 CG PHE A 15 20.925 0.320 -11.623 1.00 0.02 C ATOM 228 CD1 PHE A 15 19.725 0.085 -10.941 1.00 0.02 C ATOM 229 CD2 PHE A 15 20.969 0.214 -13.019 1.00 0.02 C ATOM 230 CE1 PHE A 15 18.569 -0.255 -11.656 1.00 0.02 C ATOM 231 CE2 PHE A 15 19.813 -0.126 -13.733 1.00 0.02 C ATOM 232 CZ PHE A 15 18.614 -0.361 -13.052 1.00 0.02 C ATOM 0 H PHE A 15 20.488 3.337 -11.196 1.00 0.02 H new ATOM 0 HA PHE A 15 21.582 2.289 -9.507 1.00 0.02 H new ATOM 0 HB2 PHE A 15 23.057 0.504 -11.464 1.00 0.02 H new ATOM 0 HB3 PHE A 15 22.263 0.066 -9.965 1.00 0.02 H new ATOM 0 HD1 PHE A 15 19.690 0.166 -9.865 1.00 0.02 H new ATOM 0 HD2 PHE A 15 21.895 0.395 -13.545 1.00 0.02 H new ATOM 0 HE1 PHE A 15 17.643 -0.435 -11.131 1.00 0.02 H new ATOM 0 HE2 PHE A 15 19.847 -0.207 -14.809 1.00 0.02 H new ATOM 0 HZ PHE A 15 17.723 -0.624 -13.603 1.00 0.02 H new ATOM 242 N GLN A 16 23.683 4.010 -10.279 1.00 0.02 N ATOM 243 CA GLN A 16 25.029 4.635 -10.090 1.00 0.02 C ATOM 244 C GLN A 16 25.028 5.384 -8.751 1.00 0.02 C ATOM 245 O GLN A 16 23.985 5.616 -8.165 1.00 0.02 O ATOM 246 CB GLN A 16 25.291 5.626 -11.229 1.00 0.02 C ATOM 247 CG GLN A 16 25.700 4.861 -12.490 1.00 0.00 C ATOM 248 CD GLN A 16 27.111 4.299 -12.311 1.00 0.00 C ATOM 249 OE1 GLN A 16 28.028 5.038 -11.748 1.00 0.02 O flip ATOM 250 NE2 GLN A 16 27.382 3.176 -12.687 1.00 0.02 N flip ATOM 0 H GLN A 16 22.919 4.674 -10.407 1.00 0.02 H new ATOM 0 HA GLN A 16 25.806 3.871 -10.093 1.00 0.02 H new ATOM 0 HB2 GLN A 16 24.396 6.217 -11.424 1.00 0.02 H new ATOM 0 HB3 GLN A 16 26.078 6.324 -10.944 1.00 0.02 H new ATOM 0 HG2 GLN A 16 24.996 4.051 -12.681 1.00 0.00 H new ATOM 0 HG3 GLN A 16 25.668 5.522 -13.356 1.00 0.00 H new ATOM 0 HE21 GLN A 16 26.665 2.599 -13.127 1.00 0.02 H new ATOM 0 HE22 GLN A 16 28.326 2.811 -12.563 1.00 0.02 H new ATOM 259 N GLY A 17 26.176 5.763 -8.256 1.00 0.03 N ATOM 260 CA GLY A 17 26.220 6.496 -6.955 1.00 0.03 C ATOM 261 C GLY A 17 26.313 5.509 -5.787 1.00 0.02 C ATOM 262 O GLY A 17 26.553 4.334 -5.970 1.00 0.02 O ATOM 0 H GLY A 17 27.083 5.598 -8.693 1.00 0.03 H new ATOM 0 HA2 GLY A 17 27.077 7.170 -6.939 1.00 0.03 H new ATOM 0 HA3 GLY A 17 25.328 7.113 -6.848 1.00 0.03 H new ATOM 266 N ARG A 18 26.112 5.982 -4.587 1.00 0.00 N ATOM 267 CA ARG A 18 26.172 5.082 -3.399 1.00 0.02 C ATOM 268 C ARG A 18 24.975 4.131 -3.439 1.00 0.02 C ATOM 269 O ARG A 18 23.884 4.502 -3.829 1.00 0.02 O ATOM 270 CB ARG A 18 26.127 5.929 -2.126 1.00 0.79 C ATOM 271 CG ARG A 18 26.585 5.086 -0.933 1.00 1.49 C ATOM 272 CD ARG A 18 26.336 5.859 0.364 1.00 1.42 C ATOM 273 NE ARG A 18 26.641 4.984 1.530 1.00 2.07 N ATOM 274 CZ ARG A 18 26.784 5.505 2.716 1.00 2.35 C ATOM 275 NH1 ARG A 18 26.657 6.794 2.880 1.00 2.53 N ATOM 276 NH2 ARG A 18 27.051 4.742 3.740 1.00 2.76 N ATOM 0 H ARG A 18 25.908 6.959 -4.377 1.00 0.00 H new ATOM 0 HA ARG A 18 27.095 4.502 -3.409 1.00 0.02 H new ATOM 0 HB2 ARG A 18 26.770 6.803 -2.235 1.00 0.79 H new ATOM 0 HB3 ARG A 18 25.115 6.297 -1.957 1.00 0.79 H new ATOM 0 HG2 ARG A 18 26.045 4.140 -0.914 1.00 1.49 H new ATOM 0 HG3 ARG A 18 27.644 4.847 -1.029 1.00 1.49 H new ATOM 0 HD2 ARG A 18 26.960 6.752 0.393 1.00 1.42 H new ATOM 0 HD3 ARG A 18 25.299 6.193 0.408 1.00 1.42 H new ATOM 0 HE ARG A 18 26.738 3.977 1.400 1.00 2.07 H new ATOM 0 HH11 ARG A 18 26.446 7.391 2.081 1.00 2.53 H new ATOM 0 HH12 ARG A 18 26.769 7.204 3.807 1.00 2.53 H new ATOM 0 HH21 ARG A 18 27.148 3.735 3.614 1.00 2.76 H new ATOM 0 HH22 ARG A 18 27.162 5.153 4.667 1.00 2.76 H new ATOM 290 N ARG A 19 25.181 2.893 -3.049 1.00 0.02 N ATOM 291 CA ARG A 19 24.076 1.883 -3.074 1.00 0.02 C ATOM 292 C ARG A 19 23.871 1.296 -1.674 1.00 0.02 C ATOM 293 O ARG A 19 24.792 1.190 -0.891 1.00 0.02 O ATOM 294 CB ARG A 19 24.464 0.752 -4.040 1.00 0.85 C ATOM 295 CG ARG A 19 23.443 -0.414 -3.964 1.00 1.31 C ATOM 296 CD ARG A 19 23.968 -1.543 -3.059 1.00 1.34 C ATOM 297 NE ARG A 19 24.832 -2.456 -3.861 1.00 1.50 N ATOM 298 CZ ARG A 19 25.613 -3.312 -3.261 1.00 1.63 C ATOM 299 NH1 ARG A 19 25.643 -3.364 -1.957 1.00 1.72 N ATOM 300 NH2 ARG A 19 26.365 -4.115 -3.965 1.00 1.89 N ATOM 0 H ARG A 19 26.076 2.538 -2.712 1.00 0.02 H new ATOM 0 HA ARG A 19 23.153 2.362 -3.400 1.00 0.02 H new ATOM 0 HB2 ARG A 19 24.507 1.137 -5.059 1.00 0.85 H new ATOM 0 HB3 ARG A 19 25.461 0.385 -3.795 1.00 0.85 H new ATOM 0 HG2 ARG A 19 22.492 -0.046 -3.579 1.00 1.31 H new ATOM 0 HG3 ARG A 19 23.253 -0.803 -4.964 1.00 1.31 H new ATOM 0 HD2 ARG A 19 24.535 -1.124 -2.228 1.00 1.34 H new ATOM 0 HD3 ARG A 19 23.134 -2.097 -2.629 1.00 1.34 H new ATOM 0 HE ARG A 19 24.813 -2.411 -4.880 1.00 1.50 H new ATOM 0 HH11 ARG A 19 25.056 -2.736 -1.408 1.00 1.72 H new ATOM 0 HH12 ARG A 19 26.253 -4.033 -1.487 1.00 1.72 H new ATOM 0 HH21 ARG A 19 26.342 -4.073 -4.984 1.00 1.89 H new ATOM 0 HH22 ARG A 19 26.975 -4.784 -3.496 1.00 1.89 H new ATOM 314 N TYR A 20 22.664 0.887 -1.377 1.00 0.02 N ATOM 315 CA TYR A 20 22.378 0.262 -0.045 1.00 0.02 C ATOM 316 C TYR A 20 21.470 -0.952 -0.229 1.00 0.02 C ATOM 317 O TYR A 20 20.483 -0.884 -0.925 1.00 0.02 O ATOM 318 CB TYR A 20 21.710 1.260 0.906 1.00 0.02 C ATOM 319 CG TYR A 20 21.901 0.769 2.325 1.00 0.01 C ATOM 320 CD1 TYR A 20 21.156 -0.322 2.796 1.00 0.01 C ATOM 321 CD2 TYR A 20 22.835 1.389 3.162 1.00 0.02 C ATOM 322 CE1 TYR A 20 21.343 -0.786 4.104 1.00 0.02 C ATOM 323 CE2 TYR A 20 23.024 0.922 4.468 1.00 0.02 C ATOM 324 CZ TYR A 20 22.277 -0.164 4.940 1.00 0.02 C ATOM 325 OH TYR A 20 22.463 -0.626 6.229 1.00 0.01 O ATOM 0 H TYR A 20 21.860 0.958 -2.000 1.00 0.02 H new ATOM 0 HA TYR A 20 23.327 -0.047 0.394 1.00 0.02 H new ATOM 0 HB2 TYR A 20 22.148 2.251 0.785 1.00 0.02 H new ATOM 0 HB3 TYR A 20 20.648 1.351 0.676 1.00 0.02 H new ATOM 0 HD1 TYR A 20 20.438 -0.804 2.150 1.00 0.01 H new ATOM 0 HD2 TYR A 20 23.410 2.228 2.800 1.00 0.02 H new ATOM 0 HE1 TYR A 20 20.766 -1.624 4.467 1.00 0.02 H new ATOM 0 HE2 TYR A 20 23.747 1.400 5.112 1.00 0.02 H new ATOM 0 HH TYR A 20 23.148 -0.085 6.675 1.00 0.01 H new ATOM 335 N ASP A 21 21.786 -2.053 0.404 1.00 0.01 N ATOM 336 CA ASP A 21 20.936 -3.281 0.289 1.00 0.02 C ATOM 337 C ASP A 21 20.218 -3.517 1.623 1.00 0.00 C ATOM 338 O ASP A 21 20.802 -3.394 2.681 1.00 0.01 O ATOM 339 CB ASP A 21 21.841 -4.476 -0.019 1.00 0.12 C ATOM 340 CG ASP A 21 22.935 -4.573 1.045 1.00 0.41 C ATOM 341 OD1 ASP A 21 23.669 -3.610 1.203 1.00 1.12 O ATOM 342 OD2 ASP A 21 23.023 -5.607 1.687 1.00 0.56 O ATOM 0 H ASP A 21 22.605 -2.156 1.003 1.00 0.01 H new ATOM 0 HA ASP A 21 20.200 -3.158 -0.506 1.00 0.02 H new ATOM 0 HB2 ASP A 21 21.255 -5.395 -0.038 1.00 0.12 H new ATOM 0 HB3 ASP A 21 22.288 -4.363 -1.007 1.00 0.12 H new ATOM 347 N CYS A 22 18.944 -3.841 1.573 1.00 0.01 N ATOM 348 CA CYS A 22 18.159 -4.075 2.830 1.00 0.00 C ATOM 349 C CYS A 22 17.456 -5.431 2.749 1.00 0.02 C ATOM 350 O CYS A 22 16.926 -5.810 1.719 1.00 0.01 O ATOM 351 CB CYS A 22 17.119 -2.965 2.989 1.00 0.00 C ATOM 352 SG CYS A 22 16.491 -2.971 4.687 1.00 0.02 S ATOM 0 H CYS A 22 18.412 -3.954 0.710 1.00 0.01 H new ATOM 0 HA CYS A 22 18.831 -4.070 3.688 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.565 -1.998 2.757 1.00 0.00 H new ATOM 0 HB3 CYS A 22 16.300 -3.115 2.286 1.00 0.00 H new ATOM 0 HG CYS A 22 15.362 -3.613 4.730 1.00 0.02 H new ATOM 358 N ASP A 23 17.459 -6.171 3.835 1.00 0.01 N ATOM 359 CA ASP A 23 16.806 -7.520 3.855 1.00 0.02 C ATOM 360 C ASP A 23 15.679 -7.556 4.896 1.00 0.00 C ATOM 361 O ASP A 23 15.165 -8.608 5.217 1.00 0.02 O ATOM 362 CB ASP A 23 17.859 -8.571 4.212 1.00 0.16 C ATOM 363 CG ASP A 23 17.298 -9.968 3.945 1.00 0.17 C ATOM 364 OD1 ASP A 23 16.587 -10.473 4.800 1.00 0.20 O ATOM 365 OD2 ASP A 23 17.589 -10.512 2.892 1.00 0.17 O ATOM 0 H ASP A 23 17.891 -5.894 4.717 1.00 0.01 H new ATOM 0 HA ASP A 23 16.380 -7.727 2.873 1.00 0.02 H new ATOM 0 HB2 ASP A 23 18.762 -8.411 3.622 1.00 0.16 H new ATOM 0 HB3 ASP A 23 18.142 -8.476 5.260 1.00 0.16 H new ATOM 370 N CYS A 24 15.277 -6.422 5.420 1.00 0.01 N ATOM 371 CA CYS A 24 14.172 -6.417 6.427 1.00 0.01 C ATOM 372 C CYS A 24 13.558 -5.011 6.496 1.00 0.01 C ATOM 373 O CYS A 24 14.053 -4.086 5.880 1.00 0.01 O ATOM 374 CB CYS A 24 14.724 -6.806 7.801 1.00 0.62 C ATOM 375 SG CYS A 24 16.117 -5.725 8.220 1.00 1.23 S ATOM 0 H CYS A 24 15.665 -5.506 5.195 1.00 0.01 H new ATOM 0 HA CYS A 24 13.407 -7.136 6.133 1.00 0.01 H new ATOM 0 HB2 CYS A 24 13.943 -6.720 8.556 1.00 0.62 H new ATOM 0 HB3 CYS A 24 15.047 -7.847 7.794 1.00 0.62 H new ATOM 0 HG CYS A 24 16.585 -6.053 9.388 1.00 1.23 H new ATOM 381 N ASP A 25 12.486 -4.832 7.227 1.00 0.02 N ATOM 382 CA ASP A 25 11.845 -3.483 7.319 1.00 0.01 C ATOM 383 C ASP A 25 12.805 -2.473 7.953 1.00 0.02 C ATOM 384 O ASP A 25 13.573 -2.801 8.838 1.00 0.00 O ATOM 385 CB ASP A 25 10.597 -3.587 8.199 1.00 0.01 C ATOM 386 CG ASP A 25 10.954 -4.281 9.514 1.00 0.01 C ATOM 387 OD1 ASP A 25 11.746 -3.727 10.260 1.00 0.01 O ATOM 388 OD2 ASP A 25 10.435 -5.359 9.751 1.00 0.01 O ATOM 0 H ASP A 25 12.025 -5.565 7.766 1.00 0.02 H new ATOM 0 HA ASP A 25 11.585 -3.148 6.315 1.00 0.01 H new ATOM 0 HB2 ASP A 25 10.196 -2.593 8.398 1.00 0.01 H new ATOM 0 HB3 ASP A 25 9.819 -4.147 7.680 1.00 0.01 H new ATOM 393 N CYS A 26 12.740 -1.236 7.524 1.00 0.01 N ATOM 394 CA CYS A 26 13.616 -0.167 8.106 1.00 0.01 C ATOM 395 C CYS A 26 12.755 1.075 8.399 1.00 0.01 C ATOM 396 O CYS A 26 12.156 1.648 7.509 1.00 0.01 O ATOM 397 CB CYS A 26 14.732 0.174 7.113 1.00 0.01 C ATOM 398 SG CYS A 26 16.120 -0.957 7.361 1.00 0.02 S ATOM 0 H CYS A 26 12.111 -0.917 6.787 1.00 0.01 H new ATOM 0 HA CYS A 26 14.071 -0.514 9.034 1.00 0.01 H new ATOM 0 HB2 CYS A 26 14.362 0.095 6.091 1.00 0.01 H new ATOM 0 HB3 CYS A 26 15.058 1.204 7.255 1.00 0.01 H new ATOM 0 HG CYS A 26 16.167 -1.809 6.380 1.00 0.02 H new ATOM 404 N ALA A 27 12.653 1.462 9.649 1.00 0.01 N ATOM 405 CA ALA A 27 11.789 2.631 10.014 1.00 0.01 C ATOM 406 C ALA A 27 12.472 3.964 9.684 1.00 0.01 C ATOM 407 O ALA A 27 11.818 4.981 9.557 1.00 0.02 O ATOM 408 CB ALA A 27 11.474 2.582 11.512 1.00 0.24 C ATOM 0 H ALA A 27 13.131 1.018 10.433 1.00 0.01 H new ATOM 0 HA ALA A 27 10.871 2.567 9.430 1.00 0.01 H new ATOM 0 HB1 ALA A 27 10.846 3.431 11.780 1.00 0.24 H new ATOM 0 HB2 ALA A 27 10.949 1.655 11.743 1.00 0.24 H new ATOM 0 HB3 ALA A 27 12.403 2.624 12.081 1.00 0.24 H new ATOM 414 N ASP A 28 13.767 3.983 9.560 1.00 0.01 N ATOM 415 CA ASP A 28 14.469 5.267 9.245 1.00 0.02 C ATOM 416 C ASP A 28 15.749 4.963 8.472 1.00 0.01 C ATOM 417 O ASP A 28 16.717 4.472 9.016 1.00 0.02 O ATOM 418 CB ASP A 28 14.808 6.006 10.543 1.00 0.67 C ATOM 419 CG ASP A 28 15.649 5.099 11.444 1.00 0.90 C ATOM 420 OD1 ASP A 28 15.090 4.170 12.003 1.00 0.87 O ATOM 421 OD2 ASP A 28 16.839 5.348 11.559 1.00 1.14 O ATOM 0 H ASP A 28 14.374 3.170 9.662 1.00 0.01 H new ATOM 0 HA ASP A 28 13.819 5.898 8.639 1.00 0.02 H new ATOM 0 HB2 ASP A 28 15.355 6.922 10.320 1.00 0.67 H new ATOM 0 HB3 ASP A 28 13.892 6.298 11.057 1.00 0.67 H new ATOM 426 N PHE A 29 15.744 5.226 7.190 1.00 0.02 N ATOM 427 CA PHE A 29 16.927 4.938 6.325 1.00 0.02 C ATOM 428 C PHE A 29 17.719 6.232 6.064 1.00 0.00 C ATOM 429 O PHE A 29 18.637 6.266 5.265 1.00 0.02 O ATOM 430 CB PHE A 29 16.387 4.357 4.987 1.00 2.87 C ATOM 431 CG PHE A 29 17.050 3.036 4.677 1.00 3.99 C ATOM 432 CD1 PHE A 29 18.406 3.009 4.368 1.00 4.52 C ATOM 433 CD2 PHE A 29 16.311 1.846 4.705 1.00 4.68 C ATOM 434 CE1 PHE A 29 19.035 1.796 4.086 1.00 5.75 C ATOM 435 CE2 PHE A 29 16.938 0.629 4.425 1.00 5.85 C ATOM 436 CZ PHE A 29 18.302 0.603 4.116 1.00 6.37 C ATOM 0 H PHE A 29 14.952 5.637 6.696 1.00 0.02 H new ATOM 0 HA PHE A 29 17.598 4.229 6.809 1.00 0.02 H new ATOM 0 HB2 PHE A 29 15.307 4.222 5.052 1.00 2.87 H new ATOM 0 HB3 PHE A 29 16.572 5.062 4.177 1.00 2.87 H new ATOM 0 HD1 PHE A 29 18.973 3.928 4.346 1.00 4.52 H new ATOM 0 HD2 PHE A 29 15.258 1.869 4.943 1.00 4.68 H new ATOM 0 HE1 PHE A 29 20.087 1.777 3.844 1.00 5.75 H new ATOM 0 HE2 PHE A 29 16.371 -0.290 4.447 1.00 5.85 H new ATOM 0 HZ PHE A 29 18.790 -0.336 3.901 1.00 6.37 H new ATOM 446 N ARG A 30 17.320 7.305 6.685 1.00 0.01 N ATOM 447 CA ARG A 30 17.990 8.614 6.444 1.00 0.00 C ATOM 448 C ARG A 30 19.470 8.603 6.848 1.00 0.01 C ATOM 449 O ARG A 30 20.262 9.340 6.294 1.00 0.02 O ATOM 450 CB ARG A 30 17.273 9.704 7.241 1.00 0.32 C ATOM 451 CG ARG A 30 15.851 9.878 6.703 1.00 0.86 C ATOM 452 CD ARG A 30 15.179 11.058 7.406 1.00 1.62 C ATOM 453 NE ARG A 30 15.792 12.333 6.934 1.00 2.25 N ATOM 454 CZ ARG A 30 15.190 13.468 7.161 1.00 2.70 C ATOM 455 NH1 ARG A 30 14.052 13.488 7.796 1.00 3.11 N ATOM 456 NH2 ARG A 30 15.728 14.582 6.749 1.00 3.02 N ATOM 0 H ARG A 30 16.552 7.333 7.355 1.00 0.01 H new ATOM 0 HA ARG A 30 17.938 8.809 5.373 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.243 9.437 8.297 1.00 0.32 H new ATOM 0 HB3 ARG A 30 17.820 10.644 7.165 1.00 0.32 H new ATOM 0 HG2 ARG A 30 15.877 10.049 5.627 1.00 0.86 H new ATOM 0 HG3 ARG A 30 15.275 8.967 6.867 1.00 0.86 H new ATOM 0 HD2 ARG A 30 14.109 11.058 7.198 1.00 1.62 H new ATOM 0 HD3 ARG A 30 15.294 10.965 8.486 1.00 1.62 H new ATOM 0 HE ARG A 30 16.681 12.318 6.434 1.00 2.25 H new ATOM 0 HH11 ARG A 30 13.631 12.616 8.116 1.00 3.11 H new ATOM 0 HH12 ARG A 30 13.582 14.376 7.973 1.00 3.11 H new ATOM 0 HH21 ARG A 30 16.618 14.565 6.250 1.00 3.02 H new ATOM 0 HH22 ARG A 30 15.259 15.471 6.925 1.00 3.02 H new ATOM 470 N SER A 31 19.868 7.820 7.815 1.00 0.02 N ATOM 471 CA SER A 31 21.303 7.845 8.244 1.00 0.02 C ATOM 472 C SER A 31 22.199 7.082 7.264 1.00 0.01 C ATOM 473 O SER A 31 23.404 7.240 7.273 1.00 0.02 O ATOM 474 CB SER A 31 21.418 7.202 9.626 1.00 0.37 C ATOM 475 OG SER A 31 20.399 7.721 10.470 1.00 0.88 O ATOM 0 H SER A 31 19.271 7.169 8.324 1.00 0.02 H new ATOM 0 HA SER A 31 21.633 8.883 8.269 1.00 0.02 H new ATOM 0 HB2 SER A 31 21.323 6.119 9.545 1.00 0.37 H new ATOM 0 HB3 SER A 31 22.400 7.405 10.054 1.00 0.37 H new ATOM 0 HG SER A 31 20.468 7.310 11.357 1.00 0.88 H new ATOM 481 N TYR A 32 21.629 6.238 6.446 1.00 0.01 N ATOM 482 CA TYR A 32 22.458 5.433 5.488 1.00 0.01 C ATOM 483 C TYR A 32 22.286 5.956 4.059 1.00 0.02 C ATOM 484 O TYR A 32 23.091 5.678 3.192 1.00 0.02 O ATOM 485 CB TYR A 32 21.997 3.975 5.563 1.00 0.02 C ATOM 486 CG TYR A 32 22.510 3.344 6.841 1.00 0.02 C ATOM 487 CD1 TYR A 32 23.887 3.162 7.026 1.00 0.01 C ATOM 488 CD2 TYR A 32 21.612 2.941 7.840 1.00 0.01 C ATOM 489 CE1 TYR A 32 24.365 2.580 8.205 1.00 0.00 C ATOM 490 CE2 TYR A 32 22.093 2.358 9.019 1.00 0.02 C ATOM 491 CZ TYR A 32 23.469 2.178 9.202 1.00 0.02 C ATOM 492 OH TYR A 32 23.942 1.603 10.363 1.00 0.02 O ATOM 0 H TYR A 32 20.625 6.068 6.396 1.00 0.01 H new ATOM 0 HA TYR A 32 23.511 5.514 5.756 1.00 0.01 H new ATOM 0 HB2 TYR A 32 20.909 3.925 5.533 1.00 0.02 H new ATOM 0 HB3 TYR A 32 22.366 3.422 4.699 1.00 0.02 H new ATOM 0 HD1 TYR A 32 24.580 3.471 6.258 1.00 0.01 H new ATOM 0 HD2 TYR A 32 20.550 3.080 7.700 1.00 0.01 H new ATOM 0 HE1 TYR A 32 25.427 2.441 8.346 1.00 0.00 H new ATOM 0 HE2 TYR A 32 21.401 2.047 9.788 1.00 0.02 H new ATOM 0 HH TYR A 32 23.188 1.384 10.950 1.00 0.02 H new ATOM 502 N LEU A 33 21.235 6.679 3.793 1.00 0.02 N ATOM 503 CA LEU A 33 21.004 7.183 2.400 1.00 0.02 C ATOM 504 C LEU A 33 20.266 8.526 2.456 1.00 0.02 C ATOM 505 O LEU A 33 19.247 8.663 3.099 1.00 0.02 O ATOM 506 CB LEU A 33 20.122 6.163 1.658 1.00 1.66 C ATOM 507 CG LEU A 33 20.313 6.297 0.132 1.00 2.38 C ATOM 508 CD1 LEU A 33 21.544 5.505 -0.324 1.00 3.32 C ATOM 509 CD2 LEU A 33 19.080 5.748 -0.589 1.00 2.80 C ATOM 0 H LEU A 33 20.524 6.945 4.474 1.00 0.02 H new ATOM 0 HA LEU A 33 21.957 7.313 1.888 1.00 0.02 H new ATOM 0 HB2 LEU A 33 20.378 5.152 1.976 1.00 1.66 H new ATOM 0 HB3 LEU A 33 19.075 6.323 1.915 1.00 1.66 H new ATOM 0 HG LEU A 33 20.452 7.351 -0.109 1.00 2.38 H new ATOM 0 HD11 LEU A 33 21.665 5.610 -1.402 1.00 3.32 H new ATOM 0 HD12 LEU A 33 22.431 5.889 0.180 1.00 3.32 H new ATOM 0 HD13 LEU A 33 21.412 4.452 -0.074 1.00 3.32 H new ATOM 0 HD21 LEU A 33 19.216 5.843 -1.666 1.00 2.80 H new ATOM 0 HD22 LEU A 33 18.946 4.697 -0.332 1.00 2.80 H new ATOM 0 HD23 LEU A 33 18.199 6.312 -0.283 1.00 2.80 H new ATOM 521 N SER A 34 20.804 9.524 1.800 1.00 0.02 N ATOM 522 CA SER A 34 20.173 10.876 1.820 1.00 0.02 C ATOM 523 C SER A 34 19.123 11.016 0.715 1.00 0.00 C ATOM 524 O SER A 34 18.341 11.945 0.713 1.00 0.01 O ATOM 525 CB SER A 34 21.254 11.938 1.619 1.00 0.02 C ATOM 526 OG SER A 34 22.006 11.629 0.452 1.00 0.02 O ATOM 0 H SER A 34 21.659 9.458 1.248 1.00 0.02 H new ATOM 0 HA SER A 34 19.680 11.009 2.783 1.00 0.02 H new ATOM 0 HB2 SER A 34 20.798 12.923 1.521 1.00 0.02 H new ATOM 0 HB3 SER A 34 21.910 11.975 2.489 1.00 0.02 H new ATOM 0 HG SER A 34 22.699 12.309 0.320 1.00 0.02 H new ATOM 532 N ARG A 35 19.090 10.110 -0.230 1.00 0.02 N ATOM 533 CA ARG A 35 18.089 10.201 -1.331 1.00 0.01 C ATOM 534 C ARG A 35 18.167 8.917 -2.165 1.00 0.02 C ATOM 535 O ARG A 35 19.142 8.195 -2.113 1.00 0.02 O ATOM 536 CB ARG A 35 18.403 11.407 -2.221 1.00 0.02 C ATOM 537 CG ARG A 35 19.899 11.430 -2.545 1.00 0.02 C ATOM 538 CD ARG A 35 20.158 12.400 -3.700 1.00 0.02 C ATOM 539 NE ARG A 35 19.333 13.628 -3.516 1.00 0.02 N ATOM 540 CZ ARG A 35 19.610 14.706 -4.195 1.00 0.02 C ATOM 541 NH1 ARG A 35 20.607 14.706 -5.038 1.00 0.00 N ATOM 542 NH2 ARG A 35 18.891 15.783 -4.035 1.00 0.02 N ATOM 0 H ARG A 35 19.718 9.308 -0.284 1.00 0.02 H new ATOM 0 HA ARG A 35 17.089 10.321 -0.914 1.00 0.01 H new ATOM 0 HB2 ARG A 35 17.822 11.353 -3.142 1.00 0.02 H new ATOM 0 HB3 ARG A 35 18.116 12.329 -1.716 1.00 0.02 H new ATOM 0 HG2 ARG A 35 20.467 11.735 -1.666 1.00 0.02 H new ATOM 0 HG3 ARG A 35 20.239 10.430 -2.813 1.00 0.02 H new ATOM 0 HD2 ARG A 35 21.215 12.662 -3.738 1.00 0.02 H new ATOM 0 HD3 ARG A 35 19.913 11.924 -4.650 1.00 0.02 H new ATOM 0 HE ARG A 35 18.552 13.625 -2.859 1.00 0.02 H new ATOM 0 HH11 ARG A 35 21.168 13.863 -5.165 1.00 0.00 H new ATOM 0 HH12 ARG A 35 20.825 15.549 -5.570 1.00 0.00 H new ATOM 0 HH21 ARG A 35 18.111 15.782 -3.378 1.00 0.02 H new ATOM 0 HH22 ARG A 35 19.109 16.626 -4.567 1.00 0.02 H new ATOM 556 N CYS A 36 17.154 8.630 -2.941 1.00 0.02 N ATOM 557 CA CYS A 36 17.167 7.397 -3.791 1.00 0.02 C ATOM 558 C CYS A 36 16.484 7.709 -5.126 1.00 0.02 C ATOM 559 O CYS A 36 15.312 8.034 -5.145 1.00 0.02 O ATOM 560 CB CYS A 36 16.394 6.289 -3.079 1.00 0.02 C ATOM 561 SG CYS A 36 14.877 6.988 -2.383 1.00 0.02 S ATOM 0 H CYS A 36 16.312 9.199 -3.024 1.00 0.02 H new ATOM 0 HA CYS A 36 18.194 7.075 -3.964 1.00 0.02 H new ATOM 0 HB2 CYS A 36 16.154 5.488 -3.778 1.00 0.02 H new ATOM 0 HB3 CYS A 36 17.004 5.851 -2.289 1.00 0.02 H new ATOM 0 HG CYS A 36 14.607 8.114 -2.974 1.00 0.02 H new ATOM 567 N ASN A 37 17.186 7.647 -6.240 1.00 0.02 N ATOM 568 CA ASN A 37 16.535 7.985 -7.554 1.00 0.01 C ATOM 569 C ASN A 37 16.316 6.729 -8.404 1.00 0.02 C ATOM 570 O ASN A 37 15.759 6.780 -9.485 1.00 0.02 O ATOM 571 CB ASN A 37 17.420 8.964 -8.329 1.00 0.02 C ATOM 572 CG ASN A 37 17.427 10.321 -7.619 1.00 0.01 C ATOM 573 OD1 ASN A 37 17.904 10.435 -6.507 1.00 0.03 O ATOM 574 ND2 ASN A 37 16.914 11.360 -8.218 1.00 0.02 N ATOM 0 H ASN A 37 18.169 7.381 -6.296 1.00 0.02 H new ATOM 0 HA ASN A 37 15.566 8.437 -7.344 1.00 0.01 H new ATOM 0 HB2 ASN A 37 18.435 8.574 -8.400 1.00 0.02 H new ATOM 0 HB3 ASN A 37 17.050 9.077 -9.348 1.00 0.02 H new ATOM 0 HD21 ASN A 37 16.913 12.268 -7.753 1.00 0.02 H new ATOM 0 HD22 ASN A 37 16.514 11.265 -9.151 1.00 0.02 H new ATOM 581 N SER A 38 16.719 5.594 -7.902 1.00 0.02 N ATOM 582 CA SER A 38 16.518 4.315 -8.639 1.00 0.02 C ATOM 583 C SER A 38 16.497 3.183 -7.614 1.00 0.01 C ATOM 584 O SER A 38 17.055 3.300 -6.541 1.00 0.02 O ATOM 585 CB SER A 38 17.644 4.088 -9.649 1.00 0.01 C ATOM 586 OG SER A 38 17.443 4.934 -10.772 1.00 0.02 O ATOM 0 H SER A 38 17.185 5.498 -7.000 1.00 0.02 H new ATOM 0 HA SER A 38 15.580 4.349 -9.192 1.00 0.02 H new ATOM 0 HB2 SER A 38 18.609 4.298 -9.189 1.00 0.01 H new ATOM 0 HB3 SER A 38 17.661 3.044 -9.963 1.00 0.01 H new ATOM 0 HG SER A 38 17.926 4.573 -11.544 1.00 0.02 H new ATOM 592 N ILE A 39 15.838 2.095 -7.920 1.00 0.02 N ATOM 593 CA ILE A 39 15.761 0.971 -6.936 1.00 0.02 C ATOM 594 C ILE A 39 15.724 -0.376 -7.661 1.00 0.02 C ATOM 595 O ILE A 39 15.150 -0.524 -8.723 1.00 0.02 O ATOM 596 CB ILE A 39 14.470 1.116 -6.124 1.00 0.00 C ATOM 597 CG1 ILE A 39 14.316 2.567 -5.658 1.00 0.01 C ATOM 598 CG2 ILE A 39 14.525 0.190 -4.907 1.00 0.01 C ATOM 599 CD1 ILE A 39 13.121 2.678 -4.711 1.00 0.00 C ATOM 0 H ILE A 39 15.352 1.936 -8.803 1.00 0.02 H new ATOM 0 HA ILE A 39 16.638 1.008 -6.289 1.00 0.02 H new ATOM 0 HB ILE A 39 13.618 0.845 -6.748 1.00 0.00 H new ATOM 0 HG12 ILE A 39 15.224 2.896 -5.153 1.00 0.01 H new ATOM 0 HG13 ILE A 39 14.174 3.222 -6.517 1.00 0.01 H new ATOM 0 HG21 ILE A 39 13.606 0.293 -4.329 1.00 0.01 H new ATOM 0 HG22 ILE A 39 14.630 -0.843 -5.240 1.00 0.01 H new ATOM 0 HG23 ILE A 39 15.378 0.459 -4.284 1.00 0.01 H new ATOM 0 HD11 ILE A 39 13.013 3.711 -4.381 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.215 2.367 -5.231 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.282 2.035 -3.845 1.00 0.00 H new ATOM 611 N ARG A 40 16.295 -1.378 -7.042 1.00 0.02 N ATOM 612 CA ARG A 40 16.271 -2.758 -7.613 1.00 0.02 C ATOM 613 C ARG A 40 15.648 -3.687 -6.573 1.00 0.01 C ATOM 614 O ARG A 40 16.136 -3.784 -5.466 1.00 0.02 O ATOM 615 CB ARG A 40 17.685 -3.246 -7.935 1.00 0.01 C ATOM 616 CG ARG A 40 17.612 -4.599 -8.650 1.00 0.02 C ATOM 617 CD ARG A 40 18.989 -4.957 -9.214 1.00 0.02 C ATOM 618 NE ARG A 40 18.908 -6.269 -9.918 1.00 0.02 N ATOM 619 CZ ARG A 40 19.872 -6.640 -10.719 1.00 0.02 C ATOM 620 NH1 ARG A 40 20.903 -5.861 -10.902 1.00 0.02 N ATOM 621 NH2 ARG A 40 19.803 -7.789 -11.335 1.00 0.02 N ATOM 0 H ARG A 40 16.784 -1.296 -6.151 1.00 0.02 H new ATOM 0 HA ARG A 40 15.694 -2.754 -8.538 1.00 0.02 H new ATOM 0 HB2 ARG A 40 18.197 -2.518 -8.564 1.00 0.01 H new ATOM 0 HB3 ARG A 40 18.266 -3.339 -7.018 1.00 0.01 H new ATOM 0 HG2 ARG A 40 17.280 -5.371 -7.956 1.00 0.02 H new ATOM 0 HG3 ARG A 40 16.878 -4.557 -9.455 1.00 0.02 H new ATOM 0 HD2 ARG A 40 19.325 -4.182 -9.903 1.00 0.02 H new ATOM 0 HD3 ARG A 40 19.722 -5.008 -8.409 1.00 0.02 H new ATOM 0 HE ARG A 40 18.101 -6.876 -9.775 1.00 0.02 H new ATOM 0 HH11 ARG A 40 20.956 -4.964 -10.420 1.00 0.02 H new ATOM 0 HH12 ARG A 40 21.656 -6.150 -11.527 1.00 0.02 H new ATOM 0 HH21 ARG A 40 18.997 -8.397 -11.191 1.00 0.02 H new ATOM 0 HH22 ARG A 40 20.555 -8.079 -11.960 1.00 0.02 H new ATOM 635 N VAL A 41 14.617 -4.408 -6.928 1.00 0.02 N ATOM 636 CA VAL A 41 14.011 -5.377 -5.969 1.00 0.01 C ATOM 637 C VAL A 41 14.439 -6.767 -6.423 1.00 0.02 C ATOM 638 O VAL A 41 14.075 -7.212 -7.492 1.00 0.02 O ATOM 639 CB VAL A 41 12.490 -5.241 -5.973 1.00 0.01 C ATOM 640 CG1 VAL A 41 11.908 -6.140 -4.880 1.00 0.02 C ATOM 641 CG2 VAL A 41 12.117 -3.785 -5.673 1.00 0.00 C ATOM 0 H VAL A 41 14.168 -4.367 -7.843 1.00 0.02 H new ATOM 0 HA VAL A 41 14.345 -5.189 -4.949 1.00 0.01 H new ATOM 0 HB VAL A 41 12.093 -5.532 -6.946 1.00 0.01 H new ATOM 0 HG11 VAL A 41 10.822 -6.050 -4.875 1.00 0.02 H new ATOM 0 HG12 VAL A 41 12.185 -7.176 -5.075 1.00 0.02 H new ATOM 0 HG13 VAL A 41 12.302 -5.835 -3.910 1.00 0.02 H new ATOM 0 HG21 VAL A 41 11.032 -3.680 -5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.508 -3.503 -4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.545 -3.135 -6.436 1.00 0.00 H new ATOM 651 N GLU A 42 15.235 -7.442 -5.635 1.00 0.01 N ATOM 652 CA GLU A 42 15.724 -8.788 -6.043 1.00 0.01 C ATOM 653 C GLU A 42 14.697 -9.851 -5.670 1.00 0.02 C ATOM 654 O GLU A 42 14.534 -10.827 -6.374 1.00 0.01 O ATOM 655 CB GLU A 42 17.051 -9.087 -5.339 1.00 0.99 C ATOM 656 CG GLU A 42 18.173 -8.275 -5.993 1.00 1.86 C ATOM 657 CD GLU A 42 18.510 -8.879 -7.358 1.00 3.10 C ATOM 658 OE1 GLU A 42 19.334 -9.780 -7.400 1.00 3.67 O ATOM 659 OE2 GLU A 42 17.938 -8.430 -8.339 1.00 3.81 O ATOM 0 H GLU A 42 15.566 -7.117 -4.727 1.00 0.01 H new ATOM 0 HA GLU A 42 15.874 -8.801 -7.123 1.00 0.01 H new ATOM 0 HB2 GLU A 42 16.977 -8.838 -4.280 1.00 0.99 H new ATOM 0 HB3 GLU A 42 17.275 -10.152 -5.401 1.00 0.99 H new ATOM 0 HG2 GLU A 42 17.864 -7.236 -6.109 1.00 1.86 H new ATOM 0 HG3 GLU A 42 19.057 -8.276 -5.355 1.00 1.86 H new ATOM 666 N GLY A 43 14.006 -9.700 -4.576 1.00 0.01 N ATOM 667 CA GLY A 43 13.017 -10.747 -4.209 1.00 0.02 C ATOM 668 C GLY A 43 12.029 -10.219 -3.176 1.00 0.02 C ATOM 669 O GLY A 43 12.371 -9.395 -2.353 1.00 0.02 O ATOM 0 H GLY A 43 14.081 -8.913 -3.932 1.00 0.01 H new ATOM 0 HA2 GLY A 43 12.480 -11.074 -5.099 1.00 0.02 H new ATOM 0 HA3 GLY A 43 13.535 -11.620 -3.811 1.00 0.02 H new ATOM 673 N GLY A 44 10.819 -10.712 -3.196 1.00 0.00 N ATOM 674 CA GLY A 44 9.809 -10.259 -2.199 1.00 0.01 C ATOM 675 C GLY A 44 9.111 -8.988 -2.692 1.00 0.01 C ATOM 676 O GLY A 44 9.506 -8.384 -3.671 1.00 0.01 O ATOM 0 H GLY A 44 10.487 -11.410 -3.862 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.073 -11.046 -2.033 1.00 0.01 H new ATOM 0 HA3 GLY A 44 10.293 -10.068 -1.241 1.00 0.01 H new ATOM 680 N THR A 45 8.088 -8.569 -1.989 1.00 0.01 N ATOM 681 CA THR A 45 7.352 -7.318 -2.360 1.00 0.00 C ATOM 682 C THR A 45 7.487 -6.339 -1.193 1.00 0.01 C ATOM 683 O THR A 45 7.385 -6.729 -0.049 1.00 0.01 O ATOM 684 CB THR A 45 5.871 -7.652 -2.588 1.00 0.73 C ATOM 685 OG1 THR A 45 5.739 -8.428 -3.770 1.00 0.88 O ATOM 686 CG2 THR A 45 5.058 -6.362 -2.735 1.00 1.48 C ATOM 0 H THR A 45 7.726 -9.046 -1.163 1.00 0.01 H new ATOM 0 HA THR A 45 7.759 -6.882 -3.272 1.00 0.00 H new ATOM 0 HB THR A 45 5.497 -8.215 -1.733 1.00 0.73 H new ATOM 0 HG1 THR A 45 4.794 -8.644 -3.916 1.00 0.88 H new ATOM 0 HG21 THR A 45 4.009 -6.610 -2.896 1.00 1.48 H new ATOM 0 HG22 THR A 45 5.155 -5.766 -1.828 1.00 1.48 H new ATOM 0 HG23 THR A 45 5.431 -5.792 -3.586 1.00 1.48 H new ATOM 694 N TRP A 46 7.793 -5.088 -1.457 1.00 0.02 N ATOM 695 CA TRP A 46 8.012 -4.116 -0.333 1.00 0.01 C ATOM 696 C TRP A 46 7.159 -2.857 -0.475 1.00 0.01 C ATOM 697 O TRP A 46 6.808 -2.420 -1.553 1.00 0.01 O ATOM 698 CB TRP A 46 9.484 -3.704 -0.326 1.00 0.00 C ATOM 699 CG TRP A 46 10.340 -4.906 -0.101 1.00 0.01 C ATOM 700 CD1 TRP A 46 10.532 -5.900 -0.997 1.00 0.01 C ATOM 701 CD2 TRP A 46 11.119 -5.254 1.075 1.00 0.01 C ATOM 702 NE1 TRP A 46 11.382 -6.841 -0.443 1.00 0.00 N ATOM 703 CE2 TRP A 46 11.771 -6.486 0.835 1.00 0.01 C ATOM 704 CE3 TRP A 46 11.321 -4.629 2.318 1.00 0.01 C ATOM 705 CZ2 TRP A 46 12.597 -7.077 1.793 1.00 0.01 C ATOM 706 CZ3 TRP A 46 12.149 -5.218 3.284 1.00 0.02 C ATOM 707 CH2 TRP A 46 12.786 -6.439 3.022 1.00 0.01 C ATOM 0 H TRP A 46 7.900 -4.700 -2.394 1.00 0.02 H new ATOM 0 HA TRP A 46 7.725 -4.611 0.595 1.00 0.01 H new ATOM 0 HB2 TRP A 46 9.744 -3.232 -1.273 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.662 -2.967 0.457 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.094 -5.951 -1.983 1.00 0.01 H new ATOM 0 HE1 TRP A 46 11.684 -7.691 -0.919 1.00 0.00 H new ATOM 0 HE3 TRP A 46 10.835 -3.688 2.530 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 13.085 -8.018 1.586 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 12.297 -4.728 4.235 1.00 0.02 H new ATOM 0 HH2 TRP A 46 13.423 -6.887 3.770 1.00 0.01 H new ATOM 718 N ALA A 47 6.890 -2.244 0.646 1.00 0.01 N ATOM 719 CA ALA A 47 6.133 -0.961 0.680 1.00 0.01 C ATOM 720 C ALA A 47 7.161 0.100 1.064 1.00 0.01 C ATOM 721 O ALA A 47 7.927 -0.081 1.990 1.00 0.01 O ATOM 722 CB ALA A 47 5.016 -1.035 1.726 1.00 0.24 C ATOM 0 H ALA A 47 7.172 -2.589 1.564 1.00 0.01 H new ATOM 0 HA ALA A 47 5.659 -0.736 -0.275 1.00 0.01 H new ATOM 0 HB1 ALA A 47 4.470 -0.092 1.742 1.00 0.24 H new ATOM 0 HB2 ALA A 47 4.333 -1.846 1.472 1.00 0.24 H new ATOM 0 HB3 ALA A 47 5.450 -1.220 2.709 1.00 0.24 H new ATOM 728 N VAL A 48 7.172 1.215 0.376 1.00 0.01 N ATOM 729 CA VAL A 48 8.140 2.309 0.711 1.00 0.02 C ATOM 730 C VAL A 48 7.371 3.547 1.164 1.00 0.01 C ATOM 731 O VAL A 48 6.322 3.853 0.631 1.00 0.01 O ATOM 732 CB VAL A 48 8.993 2.650 -0.513 1.00 0.09 C ATOM 733 CG1 VAL A 48 9.812 1.423 -0.921 1.00 0.48 C ATOM 734 CG2 VAL A 48 8.080 3.063 -1.670 1.00 0.65 C ATOM 0 H VAL A 48 6.550 1.417 -0.407 1.00 0.01 H new ATOM 0 HA VAL A 48 8.795 1.973 1.515 1.00 0.02 H new ATOM 0 HB VAL A 48 9.667 3.472 -0.271 1.00 0.09 H new ATOM 0 HG11 VAL A 48 10.420 1.665 -1.793 1.00 0.48 H new ATOM 0 HG12 VAL A 48 10.461 1.128 -0.096 1.00 0.48 H new ATOM 0 HG13 VAL A 48 9.139 0.601 -1.165 1.00 0.48 H new ATOM 0 HG21 VAL A 48 8.686 3.306 -2.543 1.00 0.65 H new ATOM 0 HG22 VAL A 48 7.407 2.241 -1.913 1.00 0.65 H new ATOM 0 HG23 VAL A 48 7.496 3.936 -1.379 1.00 0.65 H new ATOM 744 N TYR A 49 7.881 4.258 2.145 1.00 0.01 N ATOM 745 CA TYR A 49 7.181 5.482 2.651 1.00 0.01 C ATOM 746 C TYR A 49 8.091 6.698 2.489 1.00 0.01 C ATOM 747 O TYR A 49 9.299 6.626 2.620 1.00 0.02 O ATOM 748 CB TYR A 49 6.829 5.289 4.128 1.00 0.01 C ATOM 749 CG TYR A 49 5.818 4.173 4.260 1.00 0.00 C ATOM 750 CD1 TYR A 49 6.233 2.840 4.160 1.00 0.01 C ATOM 751 CD2 TYR A 49 4.468 4.469 4.482 1.00 0.01 C ATOM 752 CE1 TYR A 49 5.300 1.802 4.282 1.00 0.01 C ATOM 753 CE2 TYR A 49 3.534 3.432 4.604 1.00 0.01 C ATOM 754 CZ TYR A 49 3.950 2.100 4.504 1.00 0.02 C ATOM 755 OH TYR A 49 3.030 1.078 4.625 1.00 0.01 O ATOM 0 H TYR A 49 8.758 4.040 2.619 1.00 0.01 H new ATOM 0 HA TYR A 49 6.267 5.643 2.079 1.00 0.01 H new ATOM 0 HB2 TYR A 49 7.726 5.051 4.699 1.00 0.01 H new ATOM 0 HB3 TYR A 49 6.424 6.213 4.541 1.00 0.01 H new ATOM 0 HD1 TYR A 49 7.274 2.611 3.988 1.00 0.01 H new ATOM 0 HD2 TYR A 49 4.146 5.497 4.559 1.00 0.01 H new ATOM 0 HE1 TYR A 49 5.621 0.774 4.205 1.00 0.01 H new ATOM 0 HE2 TYR A 49 2.493 3.661 4.775 1.00 0.01 H new ATOM 0 HH TYR A 49 2.302 1.362 5.217 1.00 0.01 H new ATOM 765 N GLU A 50 7.490 7.811 2.158 1.00 0.01 N ATOM 766 CA GLU A 50 8.256 9.065 1.911 1.00 0.01 C ATOM 767 C GLU A 50 8.936 9.578 3.182 1.00 0.01 C ATOM 768 O GLU A 50 10.000 10.164 3.110 1.00 0.02 O ATOM 769 CB GLU A 50 7.285 10.131 1.400 1.00 0.02 C ATOM 770 CG GLU A 50 8.076 11.328 0.871 1.00 0.01 C ATOM 771 CD GLU A 50 7.111 12.451 0.486 1.00 0.02 C ATOM 772 OE1 GLU A 50 6.210 12.726 1.262 1.00 0.02 O ATOM 773 OE2 GLU A 50 7.289 13.016 -0.579 1.00 0.01 O ATOM 0 H GLU A 50 6.480 7.903 2.047 1.00 0.01 H new ATOM 0 HA GLU A 50 9.035 8.854 1.178 1.00 0.01 H new ATOM 0 HB2 GLU A 50 6.657 9.718 0.610 1.00 0.02 H new ATOM 0 HB3 GLU A 50 6.620 10.447 2.203 1.00 0.02 H new ATOM 0 HG2 GLU A 50 8.775 11.679 1.630 1.00 0.01 H new ATOM 0 HG3 GLU A 50 8.669 11.031 0.006 1.00 0.01 H new ATOM 780 N ARG A 51 8.335 9.403 4.340 1.00 0.02 N ATOM 781 CA ARG A 51 8.964 9.926 5.602 1.00 0.02 C ATOM 782 C ARG A 51 9.123 8.772 6.614 1.00 0.01 C ATOM 783 O ARG A 51 8.432 7.772 6.526 1.00 0.02 O ATOM 784 CB ARG A 51 8.029 11.012 6.184 1.00 0.02 C ATOM 785 CG ARG A 51 8.476 12.404 5.719 1.00 0.01 C ATOM 786 CD ARG A 51 7.527 13.461 6.286 1.00 0.02 C ATOM 787 NE ARG A 51 6.185 13.320 5.650 1.00 0.02 N ATOM 788 CZ ARG A 51 5.147 13.903 6.181 1.00 0.02 C ATOM 789 NH1 ARG A 51 5.281 14.609 7.271 1.00 0.02 N ATOM 790 NH2 ARG A 51 3.972 13.782 5.624 1.00 0.01 N ATOM 0 H ARG A 51 7.443 8.925 4.466 1.00 0.02 H new ATOM 0 HA ARG A 51 9.948 10.347 5.396 1.00 0.02 H new ATOM 0 HB2 ARG A 51 7.003 10.827 5.866 1.00 0.02 H new ATOM 0 HB3 ARG A 51 8.039 10.964 7.273 1.00 0.02 H new ATOM 0 HG2 ARG A 51 9.496 12.600 6.051 1.00 0.01 H new ATOM 0 HG3 ARG A 51 8.481 12.451 4.630 1.00 0.01 H new ATOM 0 HD2 ARG A 51 7.442 13.346 7.367 1.00 0.02 H new ATOM 0 HD3 ARG A 51 7.925 14.459 6.101 1.00 0.02 H new ATOM 0 HE ARG A 51 6.080 12.767 4.799 1.00 0.02 H new ATOM 0 HH11 ARG A 51 6.198 14.705 7.707 1.00 0.02 H new ATOM 0 HH12 ARG A 51 4.469 15.065 7.686 1.00 0.02 H new ATOM 0 HH21 ARG A 51 3.866 13.231 4.772 1.00 0.01 H new ATOM 0 HH22 ARG A 51 3.161 14.239 6.041 1.00 0.01 H new ATOM 804 N PRO A 52 10.030 8.914 7.571 1.00 0.02 N ATOM 805 CA PRO A 52 10.264 7.849 8.591 1.00 0.02 C ATOM 806 C PRO A 52 8.979 7.422 9.308 1.00 0.01 C ATOM 807 O PRO A 52 7.961 8.081 9.261 1.00 0.02 O ATOM 808 CB PRO A 52 11.262 8.519 9.564 1.00 0.02 C ATOM 809 CG PRO A 52 11.492 9.970 9.103 1.00 0.01 C ATOM 810 CD PRO A 52 10.885 10.132 7.702 1.00 0.01 C ATOM 0 HA PRO A 52 10.637 6.925 8.150 1.00 0.02 H new ATOM 0 HB2 PRO A 52 10.870 8.502 10.581 1.00 0.02 H new ATOM 0 HB3 PRO A 52 12.204 7.971 9.577 1.00 0.02 H new ATOM 0 HG2 PRO A 52 11.029 10.668 9.801 1.00 0.01 H new ATOM 0 HG3 PRO A 52 12.558 10.198 9.084 1.00 0.01 H new ATOM 0 HD2 PRO A 52 10.300 11.048 7.618 1.00 0.01 H new ATOM 0 HD3 PRO A 52 11.653 10.172 6.930 1.00 0.01 H new ATOM 818 N ASN A 53 9.068 6.319 10.000 1.00 0.02 N ATOM 819 CA ASN A 53 7.914 5.799 10.781 1.00 0.02 C ATOM 820 C ASN A 53 6.749 5.431 9.863 1.00 0.01 C ATOM 821 O ASN A 53 5.595 5.593 10.205 1.00 0.01 O ATOM 822 CB ASN A 53 7.468 6.864 11.791 1.00 0.01 C ATOM 823 CG ASN A 53 6.633 6.211 12.897 1.00 0.02 C ATOM 824 OD1 ASN A 53 7.126 6.116 14.102 1.00 0.02 O flip ATOM 825 ND2 ASN A 53 5.520 5.786 12.660 1.00 0.01 N flip ATOM 0 H ASN A 53 9.910 5.746 10.057 1.00 0.02 H new ATOM 0 HA ASN A 53 8.226 4.896 11.306 1.00 0.02 H new ATOM 0 HB2 ASN A 53 8.339 7.357 12.223 1.00 0.01 H new ATOM 0 HB3 ASN A 53 6.883 7.634 11.288 1.00 0.01 H new ATOM 0 HD21 ASN A 53 5.135 5.861 11.718 1.00 0.01 H new ATOM 0 HD22 ASN A 53 4.970 5.355 13.403 1.00 0.01 H new ATOM 832 N PHE A 54 7.057 4.907 8.705 1.00 0.02 N ATOM 833 CA PHE A 54 5.995 4.487 7.751 1.00 0.01 C ATOM 834 C PHE A 54 4.916 5.565 7.635 1.00 0.01 C ATOM 835 O PHE A 54 3.736 5.303 7.771 1.00 0.02 O ATOM 836 CB PHE A 54 5.379 3.171 8.240 1.00 1.78 C ATOM 837 CG PHE A 54 6.462 2.301 8.838 1.00 2.32 C ATOM 838 CD1 PHE A 54 7.530 1.871 8.042 1.00 2.53 C ATOM 839 CD2 PHE A 54 6.401 1.922 10.187 1.00 2.77 C ATOM 840 CE1 PHE A 54 8.535 1.064 8.590 1.00 3.03 C ATOM 841 CE2 PHE A 54 7.407 1.117 10.735 1.00 3.32 C ATOM 842 CZ PHE A 54 8.474 0.689 9.937 1.00 3.39 C ATOM 0 H PHE A 54 8.011 4.752 8.379 1.00 0.02 H new ATOM 0 HA PHE A 54 6.434 4.343 6.764 1.00 0.01 H new ATOM 0 HB2 PHE A 54 4.607 3.372 8.983 1.00 1.78 H new ATOM 0 HB3 PHE A 54 4.897 2.652 7.411 1.00 1.78 H new ATOM 0 HD1 PHE A 54 7.579 2.162 7.003 1.00 2.53 H new ATOM 0 HD2 PHE A 54 5.578 2.251 10.803 1.00 2.77 H new ATOM 0 HE1 PHE A 54 9.357 0.731 7.973 1.00 3.03 H new ATOM 0 HE2 PHE A 54 7.360 0.826 11.774 1.00 3.32 H new ATOM 0 HZ PHE A 54 9.250 0.069 10.361 1.00 3.39 H new ATOM 852 N SER A 55 5.332 6.782 7.379 1.00 0.02 N ATOM 853 CA SER A 55 4.361 7.919 7.243 1.00 0.02 C ATOM 854 C SER A 55 4.584 8.634 5.906 1.00 0.01 C ATOM 855 O SER A 55 5.600 8.464 5.261 1.00 0.01 O ATOM 856 CB SER A 55 4.589 8.906 8.389 1.00 1.90 C ATOM 857 OG SER A 55 4.414 8.232 9.629 1.00 2.33 O ATOM 0 H SER A 55 6.311 7.041 7.257 1.00 0.02 H new ATOM 0 HA SER A 55 3.341 7.535 7.278 1.00 0.02 H new ATOM 0 HB2 SER A 55 5.593 9.326 8.328 1.00 1.90 H new ATOM 0 HB3 SER A 55 3.890 9.739 8.312 1.00 1.90 H new ATOM 0 HG SER A 55 5.012 7.456 9.667 1.00 2.33 H new ATOM 863 N GLY A 56 3.632 9.425 5.478 1.00 0.02 N ATOM 864 CA GLY A 56 3.770 10.146 4.177 1.00 0.02 C ATOM 865 C GLY A 56 3.233 9.267 3.038 1.00 0.02 C ATOM 866 O GLY A 56 2.479 8.341 3.264 1.00 0.00 O ATOM 0 H GLY A 56 2.761 9.603 5.977 1.00 0.02 H new ATOM 0 HA2 GLY A 56 3.222 11.087 4.212 1.00 0.02 H new ATOM 0 HA3 GLY A 56 4.816 10.393 3.996 1.00 0.02 H new ATOM 870 N HIS A 57 3.594 9.559 1.817 1.00 0.02 N ATOM 871 CA HIS A 57 3.078 8.750 0.672 1.00 0.02 C ATOM 872 C HIS A 57 3.594 7.311 0.764 1.00 0.01 C ATOM 873 O HIS A 57 4.743 7.082 1.085 1.00 0.01 O ATOM 874 CB HIS A 57 3.546 9.377 -0.641 1.00 0.00 C ATOM 875 CG HIS A 57 3.243 10.850 -0.630 1.00 0.01 C ATOM 876 ND1 HIS A 57 2.107 11.366 -0.024 1.00 0.01 N ATOM 877 CD2 HIS A 57 3.916 11.930 -1.144 1.00 0.01 C ATOM 878 CE1 HIS A 57 2.133 12.702 -0.188 1.00 0.02 C ATOM 879 NE2 HIS A 57 3.214 13.099 -0.863 1.00 0.01 N ATOM 0 H HIS A 57 4.222 10.321 1.562 1.00 0.02 H new ATOM 0 HA HIS A 57 1.989 8.737 0.708 1.00 0.02 H new ATOM 0 HB2 HIS A 57 4.616 9.216 -0.772 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.046 8.898 -1.483 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.849 11.881 -1.685 1.00 0.01 H new ATOM 0 HE1 HIS A 57 1.371 13.372 0.182 1.00 0.02 H new ATOM 0 HE2 HIS A 57 3.470 14.053 -1.118 1.00 0.01 H new ATOM 887 N MET A 58 2.748 6.345 0.470 1.00 0.02 N ATOM 888 CA MET A 58 3.169 4.904 0.523 1.00 0.02 C ATOM 889 C MET A 58 3.012 4.267 -0.865 1.00 0.01 C ATOM 890 O MET A 58 2.034 4.486 -1.550 1.00 0.01 O ATOM 891 CB MET A 58 2.282 4.157 1.522 1.00 2.61 C ATOM 892 CG MET A 58 0.832 4.183 1.035 1.00 3.46 C ATOM 893 SD MET A 58 -0.270 3.682 2.383 1.00 4.50 S ATOM 894 CE MET A 58 0.454 2.048 2.673 1.00 5.01 C ATOM 0 H MET A 58 1.778 6.496 0.194 1.00 0.02 H new ATOM 0 HA MET A 58 4.212 4.843 0.834 1.00 0.02 H new ATOM 0 HB2 MET A 58 2.623 3.127 1.628 1.00 2.61 H new ATOM 0 HB3 MET A 58 2.355 4.620 2.506 1.00 2.61 H new ATOM 0 HG2 MET A 58 0.571 5.184 0.691 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.711 3.512 0.184 1.00 3.46 H new ATOM 0 HE1 MET A 58 -0.323 1.359 3.005 1.00 5.01 H new ATOM 0 HE2 MET A 58 0.897 1.677 1.749 1.00 5.01 H new ATOM 0 HE3 MET A 58 1.225 2.122 3.440 1.00 5.01 H new ATOM 904 N TYR A 59 3.980 3.487 -1.283 1.00 0.02 N ATOM 905 CA TYR A 59 3.917 2.826 -2.630 1.00 0.01 C ATOM 906 C TYR A 59 4.318 1.348 -2.508 1.00 0.01 C ATOM 907 O TYR A 59 5.244 0.996 -1.804 1.00 0.02 O ATOM 908 CB TYR A 59 4.893 3.519 -3.579 1.00 0.01 C ATOM 909 CG TYR A 59 4.406 4.916 -3.876 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.488 5.131 -4.910 1.00 0.01 C ATOM 911 CD2 TYR A 59 4.873 5.997 -3.120 1.00 0.01 C ATOM 912 CE1 TYR A 59 3.036 6.426 -5.188 1.00 0.02 C ATOM 913 CE2 TYR A 59 4.422 7.293 -3.397 1.00 0.01 C ATOM 914 CZ TYR A 59 3.503 7.507 -4.432 1.00 0.01 C ATOM 915 OH TYR A 59 3.058 8.785 -4.706 1.00 0.01 O ATOM 0 H TYR A 59 4.820 3.277 -0.745 1.00 0.02 H new ATOM 0 HA TYR A 59 2.899 2.900 -3.014 1.00 0.01 H new ATOM 0 HB2 TYR A 59 5.886 3.557 -3.131 1.00 0.01 H new ATOM 0 HB3 TYR A 59 4.982 2.950 -4.504 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.128 4.297 -5.494 1.00 0.01 H new ATOM 0 HD2 TYR A 59 5.582 5.831 -2.322 1.00 0.01 H new ATOM 0 HE1 TYR A 59 2.327 6.591 -5.986 1.00 0.02 H new ATOM 0 HE2 TYR A 59 4.782 8.127 -2.813 1.00 0.01 H new ATOM 0 HH TYR A 59 3.480 9.418 -4.088 1.00 0.01 H new ATOM 925 N ILE A 60 3.622 0.486 -3.211 1.00 0.02 N ATOM 926 CA ILE A 60 3.937 -0.979 -3.179 1.00 0.01 C ATOM 927 C ILE A 60 4.875 -1.312 -4.347 1.00 0.01 C ATOM 928 O ILE A 60 4.626 -0.923 -5.470 1.00 0.01 O ATOM 929 CB ILE A 60 2.640 -1.778 -3.342 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.571 -1.258 -2.369 1.00 1.35 C ATOM 931 CG2 ILE A 60 2.907 -3.262 -3.075 1.00 1.21 C ATOM 932 CD1 ILE A 60 2.097 -1.283 -0.930 1.00 1.72 C ATOM 0 H ILE A 60 2.839 0.739 -3.814 1.00 0.02 H new ATOM 0 HA ILE A 60 4.412 -1.234 -2.232 1.00 0.01 H new ATOM 0 HB ILE A 60 2.277 -1.656 -4.363 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.287 -0.241 -2.641 1.00 1.35 H new ATOM 0 HG13 ILE A 60 0.673 -1.871 -2.445 1.00 1.35 H new ATOM 0 HG21 ILE A 60 1.981 -3.825 -3.192 1.00 1.21 H new ATOM 0 HG22 ILE A 60 3.649 -3.631 -3.783 1.00 1.21 H new ATOM 0 HG23 ILE A 60 3.282 -3.387 -2.059 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.327 -0.911 -0.254 1.00 1.72 H new ATOM 0 HD12 ILE A 60 2.358 -2.305 -0.656 1.00 1.72 H new ATOM 0 HD13 ILE A 60 2.981 -0.650 -0.855 1.00 1.72 H new ATOM 944 N LEU A 61 5.964 -2.006 -4.087 1.00 0.01 N ATOM 945 CA LEU A 61 6.943 -2.338 -5.181 1.00 0.01 C ATOM 946 C LEU A 61 7.108 -3.879 -5.329 1.00 0.01 C ATOM 947 O LEU A 61 7.699 -4.508 -4.471 1.00 0.00 O ATOM 948 CB LEU A 61 8.315 -1.706 -4.802 1.00 0.01 C ATOM 949 CG LEU A 61 8.714 -0.605 -5.803 1.00 0.02 C ATOM 950 CD1 LEU A 61 9.856 0.227 -5.219 1.00 0.01 C ATOM 951 CD2 LEU A 61 9.183 -1.242 -7.115 1.00 0.01 C ATOM 0 H LEU A 61 6.217 -2.357 -3.164 1.00 0.01 H new ATOM 0 HA LEU A 61 6.578 -1.944 -6.130 1.00 0.01 H new ATOM 0 HB2 LEU A 61 8.260 -1.286 -3.798 1.00 0.01 H new ATOM 0 HB3 LEU A 61 9.082 -2.480 -4.783 1.00 0.01 H new ATOM 0 HG LEU A 61 7.851 0.032 -5.994 1.00 0.02 H new ATOM 0 HD11 LEU A 61 10.138 1.006 -5.928 1.00 0.01 H new ATOM 0 HD12 LEU A 61 9.531 0.686 -4.285 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.714 -0.417 -5.027 1.00 0.01 H new ATOM 0 HD21 LEU A 61 9.464 -0.459 -7.819 1.00 0.01 H new ATOM 0 HD22 LEU A 61 10.044 -1.882 -6.921 1.00 0.01 H new ATOM 0 HD23 LEU A 61 8.375 -1.839 -7.539 1.00 0.01 H new ATOM 963 N PRO A 62 6.639 -4.493 -6.410 1.00 0.02 N ATOM 964 CA PRO A 62 6.837 -5.961 -6.595 1.00 0.01 C ATOM 965 C PRO A 62 8.272 -6.253 -7.069 1.00 0.00 C ATOM 966 O PRO A 62 9.007 -5.355 -7.422 1.00 0.02 O ATOM 967 CB PRO A 62 5.802 -6.298 -7.679 1.00 1.47 C ATOM 968 CG PRO A 62 5.415 -4.985 -8.384 1.00 1.29 C ATOM 969 CD PRO A 62 5.879 -3.809 -7.501 1.00 0.82 C ATOM 0 HA PRO A 62 6.708 -6.548 -5.686 1.00 0.01 H new ATOM 0 HB2 PRO A 62 6.216 -7.008 -8.395 1.00 1.47 H new ATOM 0 HB3 PRO A 62 4.924 -6.767 -7.236 1.00 1.47 H new ATOM 0 HG2 PRO A 62 5.882 -4.929 -9.367 1.00 1.29 H new ATOM 0 HG3 PRO A 62 4.337 -4.941 -8.540 1.00 1.29 H new ATOM 0 HD2 PRO A 62 6.507 -3.111 -8.055 1.00 0.82 H new ATOM 0 HD3 PRO A 62 5.036 -3.239 -7.111 1.00 0.82 H new ATOM 977 N GLN A 63 8.679 -7.495 -7.076 1.00 0.02 N ATOM 978 CA GLN A 63 10.066 -7.828 -7.523 1.00 0.00 C ATOM 979 C GLN A 63 10.341 -7.249 -8.917 1.00 0.00 C ATOM 980 O GLN A 63 9.483 -7.261 -9.779 1.00 0.02 O ATOM 981 CB GLN A 63 10.223 -9.351 -7.571 1.00 1.27 C ATOM 982 CG GLN A 63 9.029 -9.968 -8.301 1.00 1.67 C ATOM 983 CD GLN A 63 9.285 -11.459 -8.524 1.00 2.43 C ATOM 984 OE1 GLN A 63 9.375 -12.220 -7.582 1.00 4.25 O ATOM 985 NE2 GLN A 63 9.408 -11.913 -9.743 1.00 3.04 N ATOM 0 H GLN A 63 8.112 -8.294 -6.792 1.00 0.02 H new ATOM 0 HA GLN A 63 10.776 -7.395 -6.819 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.150 -9.615 -8.081 1.00 1.27 H new ATOM 0 HB3 GLN A 63 10.290 -9.752 -6.560 1.00 1.27 H new ATOM 0 HG2 GLN A 63 8.119 -9.827 -7.717 1.00 1.67 H new ATOM 0 HG3 GLN A 63 8.875 -9.467 -9.257 1.00 1.67 H new ATOM 0 HE21 GLN A 63 9.333 -11.275 -10.535 1.00 3.04 H new ATOM 0 HE22 GLN A 63 9.579 -12.906 -9.903 1.00 3.04 H new ATOM 994 N GLY A 64 11.531 -6.747 -9.157 1.00 0.02 N ATOM 995 CA GLY A 64 11.835 -6.188 -10.509 1.00 0.01 C ATOM 996 C GLY A 64 12.950 -5.140 -10.425 1.00 0.02 C ATOM 997 O GLY A 64 13.512 -4.887 -9.378 1.00 0.02 O ATOM 0 H GLY A 64 12.295 -6.701 -8.482 1.00 0.02 H new ATOM 0 HA2 GLY A 64 12.135 -6.992 -11.181 1.00 0.01 H new ATOM 0 HA3 GLY A 64 10.937 -5.737 -10.932 1.00 0.01 H new ATOM 1001 N GLU A 65 13.280 -4.536 -11.540 1.00 0.02 N ATOM 1002 CA GLU A 65 14.365 -3.502 -11.568 1.00 0.02 C ATOM 1003 C GLU A 65 13.795 -2.162 -12.038 1.00 0.02 C ATOM 1004 O GLU A 65 13.114 -2.077 -13.040 1.00 0.02 O ATOM 1005 CB GLU A 65 15.455 -3.954 -12.546 1.00 0.77 C ATOM 1006 CG GLU A 65 16.697 -3.079 -12.367 1.00 0.49 C ATOM 1007 CD GLU A 65 17.633 -3.264 -13.562 1.00 0.67 C ATOM 1008 OE1 GLU A 65 17.133 -3.343 -14.674 1.00 0.96 O ATOM 1009 OE2 GLU A 65 18.832 -3.321 -13.348 1.00 0.71 O ATOM 0 H GLU A 65 12.840 -4.716 -12.442 1.00 0.02 H new ATOM 0 HA GLU A 65 14.781 -3.384 -10.567 1.00 0.02 H new ATOM 0 HB2 GLU A 65 15.706 -5.000 -12.369 1.00 0.77 H new ATOM 0 HB3 GLU A 65 15.091 -3.882 -13.571 1.00 0.77 H new ATOM 0 HG2 GLU A 65 16.407 -2.032 -12.279 1.00 0.49 H new ATOM 0 HG3 GLU A 65 17.212 -3.346 -11.444 1.00 0.49 H new ATOM 1016 N TYR A 66 14.094 -1.108 -11.314 1.00 0.02 N ATOM 1017 CA TYR A 66 13.613 0.254 -11.683 1.00 0.02 C ATOM 1018 C TYR A 66 14.846 1.162 -11.870 1.00 0.02 C ATOM 1019 O TYR A 66 15.396 1.646 -10.894 1.00 0.02 O ATOM 1020 CB TYR A 66 12.759 0.788 -10.533 1.00 0.01 C ATOM 1021 CG TYR A 66 11.577 -0.133 -10.333 1.00 0.02 C ATOM 1022 CD1 TYR A 66 11.730 -1.320 -9.606 1.00 0.02 C ATOM 1023 CD2 TYR A 66 10.334 0.192 -10.886 1.00 0.01 C ATOM 1024 CE1 TYR A 66 10.638 -2.179 -9.431 1.00 0.02 C ATOM 1025 CE2 TYR A 66 9.243 -0.667 -10.712 1.00 0.02 C ATOM 1026 CZ TYR A 66 9.394 -1.853 -9.984 1.00 0.02 C ATOM 1027 OH TYR A 66 8.319 -2.699 -9.812 1.00 0.01 O ATOM 0 H TYR A 66 14.662 -1.140 -10.468 1.00 0.02 H new ATOM 0 HA TYR A 66 13.025 0.229 -12.600 1.00 0.02 H new ATOM 0 HB2 TYR A 66 13.351 0.846 -9.619 1.00 0.01 H new ATOM 0 HB3 TYR A 66 12.416 1.799 -10.756 1.00 0.01 H new ATOM 0 HD1 TYR A 66 12.690 -1.573 -9.180 1.00 0.02 H new ATOM 0 HD2 TYR A 66 10.216 1.107 -11.448 1.00 0.01 H new ATOM 0 HE1 TYR A 66 10.756 -3.094 -8.869 1.00 0.02 H new ATOM 0 HE2 TYR A 66 8.284 -0.415 -11.140 1.00 0.02 H new ATOM 0 HH TYR A 66 7.532 -2.323 -10.259 1.00 0.01 H new ATOM 1037 N PRO A 67 15.308 1.383 -13.092 1.00 0.01 N ATOM 1038 CA PRO A 67 16.515 2.232 -13.310 1.00 0.02 C ATOM 1039 C PRO A 67 16.274 3.724 -13.037 1.00 0.02 C ATOM 1040 O PRO A 67 17.193 4.516 -13.092 1.00 0.02 O ATOM 1041 CB PRO A 67 16.851 1.974 -14.795 1.00 0.02 C ATOM 1042 CG PRO A 67 15.687 1.184 -15.430 1.00 0.02 C ATOM 1043 CD PRO A 67 14.683 0.812 -14.321 1.00 0.01 C ATOM 0 HA PRO A 67 17.322 1.978 -12.622 1.00 0.02 H new ATOM 0 HB2 PRO A 67 16.999 2.918 -15.320 1.00 0.02 H new ATOM 0 HB3 PRO A 67 17.781 1.413 -14.881 1.00 0.02 H new ATOM 0 HG2 PRO A 67 15.198 1.783 -16.198 1.00 0.02 H new ATOM 0 HG3 PRO A 67 16.062 0.284 -15.918 1.00 0.02 H new ATOM 0 HD2 PRO A 67 13.698 1.240 -14.509 1.00 0.01 H new ATOM 0 HD3 PRO A 67 14.551 -0.267 -14.242 1.00 0.01 H new ATOM 1051 N GLU A 68 15.067 4.127 -12.726 1.00 0.01 N ATOM 1052 CA GLU A 68 14.826 5.571 -12.440 1.00 0.01 C ATOM 1053 C GLU A 68 13.564 5.678 -11.588 1.00 0.03 C ATOM 1054 O GLU A 68 12.717 4.808 -11.584 1.00 0.02 O ATOM 1055 CB GLU A 68 14.617 6.343 -13.747 1.00 0.69 C ATOM 1056 CG GLU A 68 15.936 6.426 -14.521 1.00 1.09 C ATOM 1057 CD GLU A 68 15.816 7.476 -15.623 1.00 1.35 C ATOM 1058 OE1 GLU A 68 14.759 8.072 -15.731 1.00 2.02 O ATOM 1059 OE2 GLU A 68 16.784 7.663 -16.342 1.00 1.55 O ATOM 0 H GLU A 68 14.247 3.524 -12.659 1.00 0.01 H new ATOM 0 HA GLU A 68 15.685 5.993 -11.919 1.00 0.01 H new ATOM 0 HB2 GLU A 68 13.859 5.848 -14.355 1.00 0.69 H new ATOM 0 HB3 GLU A 68 14.248 7.346 -13.532 1.00 0.69 H new ATOM 0 HG2 GLU A 68 16.751 6.685 -13.845 1.00 1.09 H new ATOM 0 HG3 GLU A 68 16.177 5.455 -14.954 1.00 1.09 H new ATOM 1066 N TYR A 69 13.462 6.728 -10.826 1.00 0.02 N ATOM 1067 CA TYR A 69 12.298 6.879 -9.914 1.00 0.02 C ATOM 1068 C TYR A 69 10.974 6.896 -10.683 1.00 0.01 C ATOM 1069 O TYR A 69 9.988 6.335 -10.246 1.00 0.01 O ATOM 1070 CB TYR A 69 12.461 8.153 -9.076 1.00 0.02 C ATOM 1071 CG TYR A 69 12.490 9.360 -9.984 1.00 0.02 C ATOM 1072 CD1 TYR A 69 13.674 9.712 -10.644 1.00 0.02 C ATOM 1073 CD2 TYR A 69 11.334 10.125 -10.166 1.00 0.02 C ATOM 1074 CE1 TYR A 69 13.700 10.830 -11.485 1.00 0.02 C ATOM 1075 CE2 TYR A 69 11.360 11.245 -11.007 1.00 0.02 C ATOM 1076 CZ TYR A 69 12.543 11.597 -11.666 1.00 0.02 C ATOM 1077 OH TYR A 69 12.571 12.701 -12.493 1.00 0.01 O ATOM 0 H TYR A 69 14.138 7.491 -10.796 1.00 0.02 H new ATOM 0 HA TYR A 69 12.269 6.015 -9.250 1.00 0.02 H new ATOM 0 HB2 TYR A 69 11.639 8.240 -8.366 1.00 0.02 H new ATOM 0 HB3 TYR A 69 13.381 8.102 -8.494 1.00 0.02 H new ATOM 0 HD1 TYR A 69 14.567 9.121 -10.504 1.00 0.02 H new ATOM 0 HD2 TYR A 69 10.421 9.852 -9.658 1.00 0.02 H new ATOM 0 HE1 TYR A 69 14.613 11.101 -11.995 1.00 0.02 H new ATOM 0 HE2 TYR A 69 10.467 11.837 -11.147 1.00 0.02 H new ATOM 0 HH TYR A 69 11.685 13.120 -12.509 1.00 0.01 H new ATOM 1087 N GLN A 70 10.942 7.533 -11.822 1.00 0.01 N ATOM 1088 CA GLN A 70 9.687 7.585 -12.623 1.00 0.02 C ATOM 1089 C GLN A 70 9.230 6.168 -12.999 1.00 0.01 C ATOM 1090 O GLN A 70 8.066 5.922 -13.249 1.00 0.02 O ATOM 1091 CB GLN A 70 9.941 8.383 -13.905 1.00 0.01 C ATOM 1092 CG GLN A 70 10.535 9.746 -13.546 1.00 0.01 C ATOM 1093 CD GLN A 70 10.761 10.557 -14.823 1.00 0.02 C ATOM 1094 OE1 GLN A 70 9.846 10.759 -15.597 1.00 0.01 O ATOM 1095 NE2 GLN A 70 11.950 11.029 -15.078 1.00 0.02 N ATOM 0 H GLN A 70 11.737 8.022 -12.234 1.00 0.01 H new ATOM 0 HA GLN A 70 8.909 8.063 -12.027 1.00 0.02 H new ATOM 0 HB2 GLN A 70 10.623 7.837 -14.557 1.00 0.01 H new ATOM 0 HB3 GLN A 70 9.009 8.514 -14.456 1.00 0.01 H new ATOM 0 HG2 GLN A 70 9.863 10.282 -12.876 1.00 0.01 H new ATOM 0 HG3 GLN A 70 11.477 9.615 -13.014 1.00 0.01 H new ATOM 0 HE21 GLN A 70 12.717 10.859 -14.427 1.00 0.02 H new ATOM 0 HE22 GLN A 70 12.113 11.569 -15.928 1.00 0.02 H new ATOM 1104 N ARG A 71 10.148 5.234 -13.038 1.00 0.01 N ATOM 1105 CA ARG A 71 9.771 3.835 -13.395 1.00 0.02 C ATOM 1106 C ARG A 71 8.949 3.229 -12.258 1.00 0.01 C ATOM 1107 O ARG A 71 8.244 2.254 -12.429 1.00 0.02 O ATOM 1108 CB ARG A 71 11.037 2.996 -13.621 1.00 0.34 C ATOM 1109 CG ARG A 71 10.681 1.689 -14.359 1.00 0.72 C ATOM 1110 CD ARG A 71 10.665 1.920 -15.877 1.00 1.04 C ATOM 1111 NE ARG A 71 10.439 0.623 -16.572 1.00 1.67 N ATOM 1112 CZ ARG A 71 10.098 0.607 -17.831 1.00 2.47 C ATOM 1113 NH1 ARG A 71 9.956 1.728 -18.485 1.00 2.54 N ATOM 1114 NH2 ARG A 71 9.900 -0.528 -18.441 1.00 3.42 N ATOM 0 H ARG A 71 11.138 5.381 -12.839 1.00 0.01 H new ATOM 0 HA ARG A 71 9.180 3.841 -14.311 1.00 0.02 H new ATOM 0 HB2 ARG A 71 11.761 3.566 -14.203 1.00 0.34 H new ATOM 0 HB3 ARG A 71 11.506 2.767 -12.664 1.00 0.34 H new ATOM 0 HG2 ARG A 71 11.406 0.914 -14.110 1.00 0.72 H new ATOM 0 HG3 ARG A 71 9.706 1.331 -14.029 1.00 0.72 H new ATOM 0 HD2 ARG A 71 9.879 2.628 -16.140 1.00 1.04 H new ATOM 0 HD3 ARG A 71 11.610 2.358 -16.199 1.00 1.04 H new ATOM 0 HE ARG A 71 10.551 -0.254 -16.063 1.00 1.67 H new ATOM 0 HH11 ARG A 71 10.112 2.618 -18.012 1.00 2.54 H new ATOM 0 HH12 ARG A 71 9.689 1.714 -19.469 1.00 2.54 H new ATOM 0 HH21 ARG A 71 10.012 -1.406 -17.934 1.00 3.42 H new ATOM 0 HH22 ARG A 71 9.633 -0.538 -19.425 1.00 3.42 H new ATOM 1128 N TRP A 72 9.044 3.819 -11.096 1.00 0.02 N ATOM 1129 CA TRP A 72 8.289 3.325 -9.905 1.00 0.01 C ATOM 1130 C TRP A 72 7.167 4.332 -9.615 1.00 0.01 C ATOM 1131 O TRP A 72 6.505 4.285 -8.598 1.00 0.02 O ATOM 1132 CB TRP A 72 9.295 3.211 -8.734 1.00 0.02 C ATOM 1133 CG TRP A 72 8.658 3.483 -7.404 1.00 0.01 C ATOM 1134 CD1 TRP A 72 7.671 2.748 -6.843 1.00 0.01 C ATOM 1135 CD2 TRP A 72 8.969 4.544 -6.458 1.00 0.02 C ATOM 1136 NE1 TRP A 72 7.354 3.296 -5.610 1.00 0.02 N ATOM 1137 CE2 TRP A 72 8.126 4.407 -5.331 1.00 0.02 C ATOM 1138 CE3 TRP A 72 9.892 5.606 -6.473 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 8.198 5.293 -4.254 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 9.967 6.499 -5.391 1.00 0.02 C ATOM 1141 CH2 TRP A 72 9.120 6.343 -4.283 1.00 0.02 C ATOM 0 H TRP A 72 9.624 4.639 -10.918 1.00 0.02 H new ATOM 0 HA TRP A 72 7.834 2.347 -10.064 1.00 0.01 H new ATOM 0 HB2 TRP A 72 9.729 2.211 -8.728 1.00 0.02 H new ATOM 0 HB3 TRP A 72 10.113 3.913 -8.892 1.00 0.02 H new ATOM 0 HD1 TRP A 72 7.207 1.878 -7.283 1.00 0.01 H new ATOM 0 HE1 TRP A 72 6.638 2.924 -4.985 1.00 0.02 H new ATOM 0 HE3 TRP A 72 10.547 5.735 -7.322 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 7.545 5.168 -3.403 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 10.680 7.310 -5.412 1.00 0.02 H new ATOM 0 HH2 TRP A 72 9.180 7.033 -3.454 1.00 0.02 H new ATOM 1152 N MET A 73 6.957 5.238 -10.529 1.00 0.02 N ATOM 1153 CA MET A 73 5.890 6.263 -10.356 1.00 0.02 C ATOM 1154 C MET A 73 6.161 7.110 -9.105 1.00 0.01 C ATOM 1155 O MET A 73 5.272 7.717 -8.544 1.00 0.02 O ATOM 1156 CB MET A 73 4.529 5.572 -10.223 1.00 0.02 C ATOM 1157 CG MET A 73 4.428 4.441 -11.249 1.00 0.01 C ATOM 1158 SD MET A 73 2.701 3.924 -11.407 1.00 0.01 S ATOM 1159 CE MET A 73 2.949 2.710 -12.726 1.00 0.01 C ATOM 0 H MET A 73 7.485 5.313 -11.398 1.00 0.02 H new ATOM 0 HA MET A 73 5.885 6.916 -11.229 1.00 0.02 H new ATOM 0 HB2 MET A 73 4.408 5.175 -9.215 1.00 0.02 H new ATOM 0 HB3 MET A 73 3.726 6.293 -10.380 1.00 0.02 H new ATOM 0 HG2 MET A 73 4.808 4.776 -12.214 1.00 0.01 H new ATOM 0 HG3 MET A 73 5.045 3.597 -10.938 1.00 0.01 H new ATOM 0 HE1 MET A 73 1.993 2.257 -12.988 1.00 0.01 H new ATOM 0 HE2 MET A 73 3.368 3.205 -13.602 1.00 0.01 H new ATOM 0 HE3 MET A 73 3.636 1.936 -12.384 1.00 0.01 H new ATOM 1169 N GLY A 74 7.394 7.147 -8.668 1.00 0.02 N ATOM 1170 CA GLY A 74 7.733 7.945 -7.458 1.00 0.02 C ATOM 1171 C GLY A 74 7.361 9.407 -7.696 1.00 0.01 C ATOM 1172 O GLY A 74 7.525 9.929 -8.781 1.00 0.01 O ATOM 0 H GLY A 74 8.179 6.658 -9.099 1.00 0.02 H new ATOM 0 HA2 GLY A 74 7.197 7.558 -6.591 1.00 0.02 H new ATOM 0 HA3 GLY A 74 8.797 7.860 -7.239 1.00 0.02 H new ATOM 1176 N LEU A 75 6.904 10.089 -6.682 1.00 0.02 N ATOM 1177 CA LEU A 75 6.576 11.533 -6.857 1.00 0.02 C ATOM 1178 C LEU A 75 7.896 12.314 -6.818 1.00 0.01 C ATOM 1179 O LEU A 75 8.049 13.330 -7.463 1.00 0.02 O ATOM 1180 CB LEU A 75 5.645 11.994 -5.727 1.00 0.55 C ATOM 1181 CG LEU A 75 5.169 13.439 -5.982 1.00 0.58 C ATOM 1182 CD1 LEU A 75 3.985 13.449 -6.956 1.00 0.98 C ATOM 1183 CD2 LEU A 75 4.724 14.075 -4.659 1.00 0.42 C ATOM 0 H LEU A 75 6.744 9.713 -5.747 1.00 0.02 H new ATOM 0 HA LEU A 75 6.065 11.704 -7.805 1.00 0.02 H new ATOM 0 HB2 LEU A 75 4.785 11.327 -5.660 1.00 0.55 H new ATOM 0 HB3 LEU A 75 6.167 11.939 -4.771 1.00 0.55 H new ATOM 0 HG LEU A 75 5.996 14.004 -6.412 1.00 0.58 H new ATOM 0 HD11 LEU A 75 3.662 14.476 -7.125 1.00 0.98 H new ATOM 0 HD12 LEU A 75 4.289 13.004 -7.903 1.00 0.98 H new ATOM 0 HD13 LEU A 75 3.161 12.874 -6.533 1.00 0.98 H new ATOM 0 HD21 LEU A 75 4.388 15.096 -4.841 1.00 0.42 H new ATOM 0 HD22 LEU A 75 3.906 13.494 -4.233 1.00 0.42 H new ATOM 0 HD23 LEU A 75 5.562 14.088 -3.961 1.00 0.42 H new ATOM 1195 N ASN A 76 8.858 11.815 -6.085 1.00 0.01 N ATOM 1196 CA ASN A 76 10.196 12.455 -5.995 1.00 0.02 C ATOM 1197 C ASN A 76 11.169 11.358 -5.557 1.00 0.02 C ATOM 1198 O ASN A 76 10.809 10.200 -5.523 1.00 0.02 O ATOM 1199 CB ASN A 76 10.167 13.590 -4.967 1.00 0.02 C ATOM 1200 CG ASN A 76 9.219 14.690 -5.447 1.00 0.02 C ATOM 1201 OD1 ASN A 76 9.436 15.282 -6.486 1.00 0.01 O ATOM 1202 ND2 ASN A 76 8.170 14.991 -4.732 1.00 0.02 N ATOM 0 H ASN A 76 8.764 10.964 -5.530 1.00 0.01 H new ATOM 0 HA ASN A 76 10.498 12.887 -6.949 1.00 0.02 H new ATOM 0 HB2 ASN A 76 9.840 13.210 -3.999 1.00 0.02 H new ATOM 0 HB3 ASN A 76 11.170 13.995 -4.828 1.00 0.02 H new ATOM 0 HD21 ASN A 76 7.532 15.723 -5.045 1.00 0.02 H new ATOM 0 HD22 ASN A 76 7.988 14.494 -3.860 1.00 0.02 H new ATOM 1209 N ASP A 77 12.395 11.685 -5.234 1.00 0.01 N ATOM 1210 CA ASP A 77 13.366 10.621 -4.816 1.00 0.01 C ATOM 1211 C ASP A 77 13.470 10.562 -3.289 1.00 0.01 C ATOM 1212 O ASP A 77 14.504 10.211 -2.754 1.00 0.01 O ATOM 1213 CB ASP A 77 14.747 10.947 -5.400 1.00 0.01 C ATOM 1214 CG ASP A 77 15.038 12.438 -5.219 1.00 0.01 C ATOM 1215 OD1 ASP A 77 14.421 13.231 -5.909 1.00 0.02 O ATOM 1216 OD2 ASP A 77 15.874 12.763 -4.392 1.00 0.01 O ATOM 0 H ASP A 77 12.766 12.635 -5.241 1.00 0.01 H new ATOM 0 HA ASP A 77 13.016 9.657 -5.185 1.00 0.01 H new ATOM 0 HB2 ASP A 77 15.514 10.353 -4.902 1.00 0.01 H new ATOM 0 HB3 ASP A 77 14.777 10.685 -6.458 1.00 0.01 H new ATOM 1221 N ARG A 78 12.427 10.922 -2.576 1.00 0.01 N ATOM 1222 CA ARG A 78 12.494 10.903 -1.078 1.00 0.01 C ATOM 1223 C ARG A 78 11.875 9.620 -0.507 1.00 0.02 C ATOM 1224 O ARG A 78 10.716 9.331 -0.720 1.00 0.02 O ATOM 1225 CB ARG A 78 11.751 12.121 -0.526 1.00 0.43 C ATOM 1226 CG ARG A 78 12.521 13.394 -0.886 1.00 0.80 C ATOM 1227 CD ARG A 78 11.715 14.619 -0.453 1.00 1.00 C ATOM 1228 NE ARG A 78 11.409 14.522 1.002 1.00 1.30 N ATOM 1229 CZ ARG A 78 10.998 15.575 1.655 1.00 2.30 C ATOM 1230 NH1 ARG A 78 10.854 16.714 1.033 1.00 2.72 N ATOM 1231 NH2 ARG A 78 10.728 15.488 2.929 1.00 3.20 N ATOM 0 H ARG A 78 11.535 11.227 -2.965 1.00 0.01 H new ATOM 0 HA ARG A 78 13.542 10.933 -0.779 1.00 0.01 H new ATOM 0 HB2 ARG A 78 10.743 12.164 -0.939 1.00 0.43 H new ATOM 0 HB3 ARG A 78 11.649 12.039 0.556 1.00 0.43 H new ATOM 0 HG2 ARG A 78 13.494 13.394 -0.395 1.00 0.80 H new ATOM 0 HG3 ARG A 78 12.706 13.428 -1.960 1.00 0.80 H new ATOM 0 HD2 ARG A 78 12.279 15.529 -0.657 1.00 1.00 H new ATOM 0 HD3 ARG A 78 10.790 14.681 -1.027 1.00 1.00 H new ATOM 0 HE ARG A 78 11.521 13.632 1.488 1.00 1.30 H new ATOM 0 HH11 ARG A 78 11.063 16.781 0.037 1.00 2.72 H new ATOM 0 HH12 ARG A 78 10.533 17.537 1.543 1.00 2.72 H new ATOM 0 HH21 ARG A 78 10.838 14.597 3.414 1.00 3.20 H new ATOM 0 HH22 ARG A 78 10.407 16.311 3.440 1.00 3.20 H new ATOM 1245 N LEU A 79 12.631 8.882 0.263 1.00 0.01 N ATOM 1246 CA LEU A 79 12.099 7.643 0.916 1.00 0.01 C ATOM 1247 C LEU A 79 12.720 7.563 2.311 1.00 0.01 C ATOM 1248 O LEU A 79 13.926 7.532 2.453 1.00 0.02 O ATOM 1249 CB LEU A 79 12.493 6.393 0.118 1.00 1.04 C ATOM 1250 CG LEU A 79 11.680 6.303 -1.186 1.00 1.85 C ATOM 1251 CD1 LEU A 79 12.121 5.057 -1.969 1.00 2.40 C ATOM 1252 CD2 LEU A 79 10.165 6.208 -0.878 1.00 2.61 C ATOM 0 H LEU A 79 13.608 9.086 0.472 1.00 0.01 H new ATOM 0 HA LEU A 79 11.011 7.686 0.963 1.00 0.01 H new ATOM 0 HB2 LEU A 79 13.558 6.423 -0.113 1.00 1.04 H new ATOM 0 HB3 LEU A 79 12.323 5.501 0.721 1.00 1.04 H new ATOM 0 HG LEU A 79 11.860 7.201 -1.778 1.00 1.85 H new ATOM 0 HD11 LEU A 79 11.549 4.987 -2.894 1.00 2.40 H new ATOM 0 HD12 LEU A 79 13.183 5.132 -2.204 1.00 2.40 H new ATOM 0 HD13 LEU A 79 11.945 4.167 -1.365 1.00 2.40 H new ATOM 0 HD21 LEU A 79 9.607 6.145 -1.812 1.00 2.61 H new ATOM 0 HD22 LEU A 79 9.971 5.318 -0.279 1.00 2.61 H new ATOM 0 HD23 LEU A 79 9.850 7.093 -0.326 1.00 2.61 H new ATOM 1264 N GLY A 80 11.914 7.573 3.344 1.00 0.02 N ATOM 1265 CA GLY A 80 12.458 7.551 4.738 1.00 0.02 C ATOM 1266 C GLY A 80 12.250 6.190 5.413 1.00 0.02 C ATOM 1267 O GLY A 80 12.893 5.894 6.400 1.00 0.01 O ATOM 0 H GLY A 80 10.896 7.596 3.281 1.00 0.02 H new ATOM 0 HA2 GLY A 80 13.522 7.786 4.716 1.00 0.02 H new ATOM 0 HA3 GLY A 80 11.972 8.327 5.329 1.00 0.02 H new ATOM 1271 N SER A 81 11.364 5.354 4.924 1.00 0.01 N ATOM 1272 CA SER A 81 11.163 4.032 5.604 1.00 0.01 C ATOM 1273 C SER A 81 10.599 3.002 4.631 1.00 0.02 C ATOM 1274 O SER A 81 9.961 3.327 3.649 1.00 0.01 O ATOM 1275 CB SER A 81 10.191 4.209 6.767 1.00 0.01 C ATOM 1276 OG SER A 81 9.795 2.930 7.243 1.00 0.01 O ATOM 0 H SER A 81 10.783 5.523 4.103 1.00 0.01 H new ATOM 0 HA SER A 81 12.127 3.676 5.968 1.00 0.01 H new ATOM 0 HB2 SER A 81 10.663 4.778 7.568 1.00 0.01 H new ATOM 0 HB3 SER A 81 9.318 4.776 6.444 1.00 0.01 H new ATOM 0 HG SER A 81 8.960 3.013 7.749 1.00 0.01 H new ATOM 1282 N CYS A 82 10.835 1.741 4.909 1.00 0.02 N ATOM 1283 CA CYS A 82 10.320 0.663 4.015 1.00 0.01 C ATOM 1284 C CYS A 82 9.948 -0.575 4.839 1.00 0.01 C ATOM 1285 O CYS A 82 10.551 -0.871 5.852 1.00 0.01 O ATOM 1286 CB CYS A 82 11.391 0.291 2.989 1.00 0.01 C ATOM 1287 SG CYS A 82 12.840 -0.377 3.844 1.00 0.02 S ATOM 0 H CYS A 82 11.363 1.415 5.718 1.00 0.02 H new ATOM 0 HA CYS A 82 9.431 1.027 3.499 1.00 0.01 H new ATOM 0 HB2 CYS A 82 10.998 -0.445 2.288 1.00 0.01 H new ATOM 0 HB3 CYS A 82 11.672 1.168 2.406 1.00 0.01 H new ATOM 0 HG CYS A 82 12.458 -1.028 4.902 1.00 0.02 H new ATOM 1293 N ARG A 83 8.956 -1.306 4.396 1.00 0.01 N ATOM 1294 CA ARG A 83 8.528 -2.542 5.128 1.00 0.01 C ATOM 1295 C ARG A 83 8.257 -3.649 4.112 1.00 0.01 C ATOM 1296 O ARG A 83 7.734 -3.413 3.041 1.00 0.01 O ATOM 1297 CB ARG A 83 7.227 -2.275 5.886 1.00 0.01 C ATOM 1298 CG ARG A 83 7.466 -1.232 6.977 1.00 0.01 C ATOM 1299 CD ARG A 83 6.272 -1.217 7.934 1.00 0.01 C ATOM 1300 NE ARG A 83 6.124 -2.556 8.567 1.00 0.01 N ATOM 1301 CZ ARG A 83 5.373 -2.698 9.623 1.00 0.01 C ATOM 1302 NH1 ARG A 83 4.750 -1.666 10.125 1.00 0.01 N ATOM 1303 NH2 ARG A 83 5.242 -3.870 10.180 1.00 0.01 N ATOM 0 H ARG A 83 8.420 -1.100 3.553 1.00 0.01 H new ATOM 0 HA ARG A 83 9.314 -2.832 5.825 1.00 0.01 H new ATOM 0 HB2 ARG A 83 6.460 -1.923 5.196 1.00 0.01 H new ATOM 0 HB3 ARG A 83 6.858 -3.200 6.329 1.00 0.01 H new ATOM 0 HG2 ARG A 83 8.381 -1.463 7.523 1.00 0.01 H new ATOM 0 HG3 ARG A 83 7.601 -0.247 6.531 1.00 0.01 H new ATOM 0 HD2 ARG A 83 6.416 -0.455 8.700 1.00 0.01 H new ATOM 0 HD3 ARG A 83 5.362 -0.957 7.393 1.00 0.01 H new ATOM 0 HE ARG A 83 6.610 -3.362 8.175 1.00 0.01 H new ATOM 0 HH11 ARG A 83 4.851 -0.749 9.691 1.00 0.01 H new ATOM 0 HH12 ARG A 83 4.162 -1.777 10.951 1.00 0.01 H new ATOM 0 HH21 ARG A 83 5.728 -4.677 9.789 1.00 0.01 H new ATOM 0 HH22 ARG A 83 4.654 -3.979 11.006 1.00 0.01 H new ATOM 1317 N ALA A 84 8.611 -4.864 4.439 1.00 0.01 N ATOM 1318 CA ALA A 84 8.375 -5.988 3.493 1.00 0.01 C ATOM 1319 C ALA A 84 6.905 -6.405 3.561 1.00 0.01 C ATOM 1320 O ALA A 84 6.344 -6.597 4.622 1.00 0.00 O ATOM 1321 CB ALA A 84 9.250 -7.182 3.884 1.00 0.43 C ATOM 0 H ALA A 84 9.053 -5.124 5.321 1.00 0.01 H new ATOM 0 HA ALA A 84 8.625 -5.667 2.482 1.00 0.01 H new ATOM 0 HB1 ALA A 84 9.075 -8.004 3.190 1.00 0.43 H new ATOM 0 HB2 ALA A 84 10.300 -6.892 3.846 1.00 0.43 H new ATOM 0 HB3 ALA A 84 8.999 -7.502 4.895 1.00 0.43 H new ATOM 1327 N VAL A 85 6.289 -6.568 2.424 1.00 0.01 N ATOM 1328 CA VAL A 85 4.865 -6.998 2.392 1.00 0.01 C ATOM 1329 C VAL A 85 4.824 -8.524 2.374 1.00 0.01 C ATOM 1330 O VAL A 85 5.392 -9.152 1.502 1.00 0.01 O ATOM 1331 CB VAL A 85 4.190 -6.453 1.129 1.00 0.98 C ATOM 1332 CG1 VAL A 85 2.681 -6.716 1.193 1.00 1.25 C ATOM 1333 CG2 VAL A 85 4.438 -4.944 1.031 1.00 1.12 C ATOM 0 H VAL A 85 6.715 -6.420 1.509 1.00 0.01 H new ATOM 0 HA VAL A 85 4.339 -6.617 3.267 1.00 0.01 H new ATOM 0 HB VAL A 85 4.607 -6.952 0.254 1.00 0.98 H new ATOM 0 HG11 VAL A 85 2.205 -6.327 0.293 1.00 1.25 H new ATOM 0 HG12 VAL A 85 2.501 -7.789 1.263 1.00 1.25 H new ATOM 0 HG13 VAL A 85 2.262 -6.220 2.068 1.00 1.25 H new ATOM 0 HG21 VAL A 85 3.959 -4.554 0.133 1.00 1.12 H new ATOM 0 HG22 VAL A 85 4.022 -4.449 1.909 1.00 1.12 H new ATOM 0 HG23 VAL A 85 5.510 -4.754 0.982 1.00 1.12 H new ATOM 1343 N HIS A 86 4.157 -9.139 3.309 1.00 0.01 N ATOM 1344 CA HIS A 86 4.085 -10.627 3.309 1.00 0.01 C ATOM 1345 C HIS A 86 2.846 -11.037 2.525 1.00 0.01 C ATOM 1346 O HIS A 86 1.766 -10.522 2.734 1.00 0.00 O ATOM 1347 CB HIS A 86 3.967 -11.137 4.747 1.00 0.21 C ATOM 1348 CG HIS A 86 5.053 -10.522 5.589 1.00 0.71 C ATOM 1349 ND1 HIS A 86 4.774 -9.707 6.674 1.00 1.26 N ATOM 1350 CD2 HIS A 86 6.422 -10.594 5.517 1.00 1.20 C ATOM 1351 CE1 HIS A 86 5.948 -9.322 7.206 1.00 1.77 C ATOM 1352 NE2 HIS A 86 6.986 -9.835 6.540 1.00 1.71 N ATOM 0 H HIS A 86 3.660 -8.678 4.071 1.00 0.01 H new ATOM 0 HA HIS A 86 4.982 -11.049 2.857 1.00 0.01 H new ATOM 0 HB2 HIS A 86 2.988 -10.883 5.155 1.00 0.21 H new ATOM 0 HB3 HIS A 86 4.049 -12.224 4.766 1.00 0.21 H new ATOM 0 HD2 HIS A 86 6.977 -11.154 4.779 1.00 1.20 H new ATOM 0 HE1 HIS A 86 6.040 -8.677 8.067 1.00 1.77 H new ATOM 0 HE2 HIS A 86 7.978 -9.700 6.738 1.00 1.71 H new ATOM 1360 N LEU A 87 2.993 -11.964 1.619 1.00 0.01 N ATOM 1361 CA LEU A 87 1.827 -12.418 0.809 1.00 0.01 C ATOM 1362 C LEU A 87 1.260 -13.680 1.457 1.00 0.01 C ATOM 1363 O LEU A 87 1.992 -14.567 1.847 1.00 0.01 O ATOM 1364 CB LEU A 87 2.303 -12.734 -0.627 1.00 0.67 C ATOM 1365 CG LEU A 87 3.511 -11.862 -0.998 1.00 1.25 C ATOM 1366 CD1 LEU A 87 3.899 -12.141 -2.453 1.00 1.63 C ATOM 1367 CD2 LEU A 87 3.163 -10.370 -0.831 1.00 1.34 C ATOM 0 H LEU A 87 3.875 -12.429 1.404 1.00 0.01 H new ATOM 0 HA LEU A 87 1.060 -11.644 0.768 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.571 -13.788 -0.704 1.00 0.67 H new ATOM 0 HB3 LEU A 87 1.491 -12.559 -1.332 1.00 0.67 H new ATOM 0 HG LEU A 87 4.345 -12.102 -0.339 1.00 1.25 H new ATOM 0 HD11 LEU A 87 4.757 -11.526 -2.725 1.00 1.63 H new ATOM 0 HD12 LEU A 87 4.158 -13.194 -2.565 1.00 1.63 H new ATOM 0 HD13 LEU A 87 3.059 -11.902 -3.106 1.00 1.63 H new ATOM 0 HD21 LEU A 87 4.028 -9.763 -1.097 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.327 -10.116 -1.483 1.00 1.34 H new ATOM 0 HD23 LEU A 87 2.887 -10.174 0.205 1.00 1.34 H new ATOM 1379 N SER A 88 -0.039 -13.778 1.548 1.00 0.01 N ATOM 1380 CA SER A 88 -0.680 -14.988 2.138 1.00 0.01 C ATOM 1381 C SER A 88 -1.371 -15.763 1.019 1.00 0.01 C ATOM 1382 O SER A 88 -2.204 -15.211 0.328 1.00 0.01 O ATOM 1383 CB SER A 88 -1.720 -14.572 3.177 1.00 0.81 C ATOM 1384 OG SER A 88 -2.609 -15.655 3.412 1.00 1.08 O ATOM 0 H SER A 88 -0.692 -13.060 1.234 1.00 0.01 H new ATOM 0 HA SER A 88 0.076 -15.607 2.620 1.00 0.01 H new ATOM 0 HB2 SER A 88 -1.228 -14.283 4.105 1.00 0.81 H new ATOM 0 HB3 SER A 88 -2.274 -13.702 2.825 1.00 0.81 H new ATOM 0 HG SER A 88 -3.277 -15.391 4.079 1.00 1.08 H new ATOM 1390 N SER A 89 -1.101 -17.032 0.848 1.00 0.01 N ATOM 1391 CA SER A 89 -1.825 -17.808 -0.206 1.00 0.01 C ATOM 1392 C SER A 89 -2.864 -18.650 0.524 1.00 0.01 C ATOM 1393 O SER A 89 -3.261 -18.300 1.618 1.00 0.01 O ATOM 1394 CB SER A 89 -0.841 -18.720 -0.944 1.00 0.43 C ATOM 1395 OG SER A 89 0.122 -17.922 -1.619 1.00 1.26 O ATOM 0 H SER A 89 -0.416 -17.562 1.387 1.00 0.01 H new ATOM 0 HA SER A 89 -2.290 -17.150 -0.940 1.00 0.01 H new ATOM 0 HB2 SER A 89 -0.347 -19.388 -0.238 1.00 0.43 H new ATOM 0 HB3 SER A 89 -1.374 -19.348 -1.657 1.00 0.43 H new ATOM 0 HG SER A 89 0.755 -18.502 -2.091 1.00 1.26 H new ATOM 1401 N GLY A 90 -3.293 -19.760 -0.018 1.00 0.01 N ATOM 1402 CA GLY A 90 -4.285 -20.613 0.710 1.00 0.00 C ATOM 1403 C GLY A 90 -5.415 -21.072 -0.208 1.00 0.00 C ATOM 1404 O GLY A 90 -5.731 -22.244 -0.265 1.00 0.01 O ATOM 0 H GLY A 90 -3.002 -20.114 -0.929 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -3.779 -21.483 1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.701 -20.053 1.548 1.00 0.00 H new ATOM 1408 N GLY A 91 -6.035 -20.177 -0.936 1.00 0.00 N ATOM 1409 CA GLY A 91 -7.133 -20.622 -1.834 1.00 0.00 C ATOM 1410 C GLY A 91 -7.768 -19.448 -2.591 1.00 0.00 C ATOM 1411 O GLY A 91 -7.243 -19.002 -3.592 1.00 0.01 O ATOM 0 H GLY A 91 -5.831 -19.178 -0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.745 -21.347 -2.549 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.898 -21.131 -1.247 1.00 0.00 H new ATOM 1415 N GLN A 92 -8.895 -18.953 -2.133 1.00 1.80 N ATOM 1416 CA GLN A 92 -9.573 -17.811 -2.842 1.00 2.31 C ATOM 1417 C GLN A 92 -9.710 -16.605 -1.906 1.00 1.91 C ATOM 1418 O GLN A 92 -10.327 -16.674 -0.860 1.00 2.31 O ATOM 1419 CB GLN A 92 -10.945 -18.281 -3.326 1.00 2.11 C ATOM 1420 CG GLN A 92 -11.525 -17.255 -4.303 1.00 2.86 C ATOM 1421 CD GLN A 92 -12.849 -17.775 -4.867 1.00 3.70 C ATOM 1422 OE1 GLN A 92 -13.580 -17.044 -5.507 1.00 3.99 O ATOM 1423 NE2 GLN A 92 -13.192 -19.017 -4.652 1.00 4.43 N ATOM 0 H GLN A 92 -9.377 -19.288 -1.299 1.00 1.80 H new ATOM 0 HA GLN A 92 -8.973 -17.499 -3.697 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -10.857 -19.252 -3.813 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -11.617 -18.410 -2.477 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -11.683 -16.303 -3.795 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -10.820 -17.071 -5.114 1.00 2.86 H new ATOM 0 HE21 GLN A 92 -12.578 -19.630 -4.115 1.00 4.43 H new ATOM 0 HE22 GLN A 92 -14.073 -19.374 -5.021 1.00 4.43 H new ATOM 1432 N ALA A 93 -9.107 -15.503 -2.280 1.00 0.01 N ATOM 1433 CA ALA A 93 -9.161 -14.281 -1.418 1.00 0.01 C ATOM 1434 C ALA A 93 -10.605 -13.752 -1.368 1.00 0.01 C ATOM 1435 O ALA A 93 -11.298 -13.755 -2.365 1.00 0.01 O ATOM 1436 CB ALA A 93 -8.233 -13.215 -2.006 1.00 2.99 C ATOM 0 H ALA A 93 -8.579 -15.397 -3.146 1.00 0.01 H new ATOM 0 HA ALA A 93 -8.838 -14.525 -0.406 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -8.266 -12.321 -1.384 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -7.213 -13.598 -2.037 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -8.558 -12.967 -3.016 1.00 2.99 H new ATOM 1442 N LYS A 94 -11.087 -13.345 -0.199 1.00 0.00 N ATOM 1443 CA LYS A 94 -12.527 -12.873 -0.096 1.00 0.01 C ATOM 1444 C LYS A 94 -12.682 -11.565 0.710 1.00 0.01 C ATOM 1445 O LYS A 94 -12.167 -11.414 1.832 1.00 0.01 O ATOM 1446 CB LYS A 94 -13.356 -13.969 0.583 1.00 2.49 C ATOM 1447 CG LYS A 94 -14.847 -13.732 0.324 1.00 3.43 C ATOM 1448 CD LYS A 94 -15.665 -14.773 1.089 1.00 4.11 C ATOM 1449 CE LYS A 94 -17.140 -14.372 1.078 1.00 5.23 C ATOM 1450 NZ LYS A 94 -17.915 -15.303 1.948 1.00 6.36 N ATOM 0 H LYS A 94 -10.557 -13.319 0.672 1.00 0.00 H new ATOM 0 HA LYS A 94 -12.874 -12.671 -1.109 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -13.063 -14.947 0.202 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -13.161 -13.973 1.655 1.00 2.49 H new ATOM 0 HG2 LYS A 94 -15.128 -12.728 0.641 1.00 3.43 H new ATOM 0 HG3 LYS A 94 -15.058 -13.800 -0.743 1.00 3.43 H new ATOM 0 HD2 LYS A 94 -15.541 -15.755 0.633 1.00 4.11 H new ATOM 0 HD3 LYS A 94 -15.306 -14.850 2.115 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -17.252 -13.348 1.433 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -17.528 -14.401 0.060 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -18.919 -15.030 1.941 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -17.817 -16.275 1.590 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -17.550 -15.254 2.921 1.00 6.36 H new ATOM 1464 N ILE A 95 -13.425 -10.620 0.134 1.00 0.00 N ATOM 1465 CA ILE A 95 -13.684 -9.304 0.806 1.00 0.01 C ATOM 1466 C ILE A 95 -15.191 -8.964 0.753 1.00 0.01 C ATOM 1467 O ILE A 95 -15.852 -9.167 -0.249 1.00 0.01 O ATOM 1468 CB ILE A 95 -12.870 -8.212 0.082 1.00 0.34 C ATOM 1469 CG1 ILE A 95 -13.400 -6.809 0.432 1.00 0.30 C ATOM 1470 CG2 ILE A 95 -12.976 -8.418 -1.429 1.00 0.36 C ATOM 1471 CD1 ILE A 95 -12.423 -5.740 -0.073 1.00 1.09 C ATOM 0 H ILE A 95 -13.862 -10.718 -0.783 1.00 0.00 H new ATOM 0 HA ILE A 95 -13.382 -9.360 1.852 1.00 0.01 H new ATOM 0 HB ILE A 95 -11.831 -8.287 0.404 1.00 0.34 H new ATOM 0 HG12 ILE A 95 -14.381 -6.659 -0.018 1.00 0.30 H new ATOM 0 HG13 ILE A 95 -13.527 -6.717 1.511 1.00 0.30 H new ATOM 0 HG21 ILE A 95 -12.401 -7.647 -1.943 1.00 0.36 H new ATOM 0 HG22 ILE A 95 -12.581 -9.400 -1.691 1.00 0.36 H new ATOM 0 HG23 ILE A 95 -14.021 -8.354 -1.732 1.00 0.36 H new ATOM 0 HD11 ILE A 95 -12.805 -4.750 0.178 1.00 1.09 H new ATOM 0 HD12 ILE A 95 -11.451 -5.884 0.398 1.00 1.09 H new ATOM 0 HD13 ILE A 95 -12.318 -5.825 -1.155 1.00 1.09 H new ATOM 1483 N GLN A 96 -15.710 -8.384 1.817 1.00 0.01 N ATOM 1484 CA GLN A 96 -17.153 -7.948 1.846 1.00 0.01 C ATOM 1485 C GLN A 96 -17.184 -6.455 2.210 1.00 0.01 C ATOM 1486 O GLN A 96 -16.414 -6.017 3.044 1.00 0.00 O ATOM 1487 CB GLN A 96 -17.945 -8.767 2.875 1.00 0.53 C ATOM 1488 CG GLN A 96 -17.083 -9.041 4.108 1.00 0.82 C ATOM 1489 CD GLN A 96 -16.169 -10.243 3.845 1.00 1.25 C ATOM 1490 OE1 GLN A 96 -15.949 -10.617 2.711 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -15.627 -10.867 4.853 1.00 2.05 N ATOM 0 H GLN A 96 -15.192 -8.192 2.674 1.00 0.01 H new ATOM 0 HA GLN A 96 -17.615 -8.111 0.872 1.00 0.01 H new ATOM 0 HB2 GLN A 96 -18.846 -8.227 3.165 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -18.267 -9.709 2.431 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -16.484 -8.162 4.347 1.00 0.82 H new ATOM 0 HG3 GLN A 96 -17.719 -9.238 4.971 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -15.811 -10.553 5.806 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -15.018 -11.669 4.689 1.00 2.05 H new ATOM 1500 N VAL A 97 -18.042 -5.657 1.603 1.00 0.01 N ATOM 1501 CA VAL A 97 -18.078 -4.185 1.930 1.00 0.01 C ATOM 1502 C VAL A 97 -19.487 -3.751 2.368 1.00 0.01 C ATOM 1503 O VAL A 97 -20.485 -4.270 1.904 1.00 0.01 O ATOM 1504 CB VAL A 97 -17.668 -3.399 0.684 1.00 0.77 C ATOM 1505 CG1 VAL A 97 -16.273 -3.843 0.233 1.00 1.10 C ATOM 1506 CG2 VAL A 97 -18.671 -3.668 -0.441 1.00 1.03 C ATOM 0 H VAL A 97 -18.716 -5.959 0.899 1.00 0.01 H new ATOM 0 HA VAL A 97 -17.391 -3.987 2.752 1.00 0.01 H new ATOM 0 HB VAL A 97 -17.654 -2.334 0.917 1.00 0.77 H new ATOM 0 HG11 VAL A 97 -15.982 -3.282 -0.655 1.00 1.10 H new ATOM 0 HG12 VAL A 97 -15.556 -3.655 1.032 1.00 1.10 H new ATOM 0 HG13 VAL A 97 -16.287 -4.908 0.001 1.00 1.10 H new ATOM 0 HG21 VAL A 97 -18.380 -3.108 -1.330 1.00 1.03 H new ATOM 0 HG22 VAL A 97 -18.683 -4.733 -0.671 1.00 1.03 H new ATOM 0 HG23 VAL A 97 -19.666 -3.354 -0.124 1.00 1.03 H new ATOM 1516 N PHE A 98 -19.562 -2.805 3.288 1.00 0.01 N ATOM 1517 CA PHE A 98 -20.890 -2.325 3.807 1.00 0.01 C ATOM 1518 C PHE A 98 -21.077 -0.824 3.534 1.00 0.01 C ATOM 1519 O PHE A 98 -20.159 -0.016 3.658 1.00 0.01 O ATOM 1520 CB PHE A 98 -20.959 -2.559 5.318 1.00 0.25 C ATOM 1521 CG PHE A 98 -20.889 -4.041 5.619 1.00 0.36 C ATOM 1522 CD1 PHE A 98 -19.683 -4.729 5.451 1.00 0.42 C ATOM 1523 CD2 PHE A 98 -22.026 -4.719 6.077 1.00 0.58 C ATOM 1524 CE1 PHE A 98 -19.612 -6.098 5.741 1.00 0.56 C ATOM 1525 CE2 PHE A 98 -21.953 -6.088 6.367 1.00 0.73 C ATOM 1526 CZ PHE A 98 -20.746 -6.776 6.198 1.00 0.69 C ATOM 0 H PHE A 98 -18.752 -2.344 3.702 1.00 0.01 H new ATOM 0 HA PHE A 98 -21.677 -2.880 3.296 1.00 0.01 H new ATOM 0 HB2 PHE A 98 -20.137 -2.041 5.812 1.00 0.25 H new ATOM 0 HB3 PHE A 98 -21.884 -2.142 5.716 1.00 0.25 H new ATOM 0 HD1 PHE A 98 -18.807 -4.205 5.098 1.00 0.42 H new ATOM 0 HD2 PHE A 98 -22.957 -4.188 6.206 1.00 0.58 H new ATOM 0 HE1 PHE A 98 -18.681 -6.630 5.611 1.00 0.56 H new ATOM 0 HE2 PHE A 98 -22.828 -6.612 6.721 1.00 0.73 H new ATOM 0 HZ PHE A 98 -20.691 -7.831 6.421 1.00 0.69 H new ATOM 1536 N GLU A 99 -22.277 -0.458 3.161 1.00 0.01 N ATOM 1537 CA GLU A 99 -22.578 0.972 2.851 1.00 0.01 C ATOM 1538 C GLU A 99 -22.522 1.844 4.112 1.00 0.01 C ATOM 1539 O GLU A 99 -22.153 3.000 4.040 1.00 0.01 O ATOM 1540 CB GLU A 99 -23.975 1.070 2.237 1.00 0.01 C ATOM 1541 CG GLU A 99 -24.209 2.492 1.725 1.00 0.01 C ATOM 1542 CD GLU A 99 -25.593 2.579 1.075 1.00 0.01 C ATOM 1543 OE1 GLU A 99 -26.234 1.545 0.953 1.00 0.01 O ATOM 1544 OE2 GLU A 99 -25.990 3.675 0.709 1.00 0.02 O ATOM 0 H GLU A 99 -23.067 -1.094 3.057 1.00 0.01 H new ATOM 0 HA GLU A 99 -21.825 1.334 2.151 1.00 0.01 H new ATOM 0 HB2 GLU A 99 -24.075 0.357 1.419 1.00 0.01 H new ATOM 0 HB3 GLU A 99 -24.729 0.811 2.980 1.00 0.01 H new ATOM 0 HG2 GLU A 99 -24.137 3.203 2.548 1.00 0.01 H new ATOM 0 HG3 GLU A 99 -23.439 2.761 1.003 1.00 0.01 H new ATOM 1551 N LYS A 100 -22.887 1.314 5.262 1.00 0.01 N ATOM 1552 CA LYS A 100 -22.858 2.136 6.522 1.00 0.01 C ATOM 1553 C LYS A 100 -21.821 1.567 7.493 1.00 0.01 C ATOM 1554 O LYS A 100 -21.290 0.492 7.299 1.00 0.01 O ATOM 1555 CB LYS A 100 -24.235 2.130 7.192 1.00 0.94 C ATOM 1556 CG LYS A 100 -25.286 2.622 6.196 1.00 1.63 C ATOM 1557 CD LYS A 100 -26.684 2.393 6.775 1.00 2.19 C ATOM 1558 CE LYS A 100 -27.726 3.016 5.846 1.00 2.84 C ATOM 1559 NZ LYS A 100 -27.801 2.228 4.585 1.00 3.18 N ATOM 0 H LYS A 100 -23.203 0.351 5.382 1.00 0.01 H new ATOM 0 HA LYS A 100 -22.591 3.160 6.261 1.00 0.01 H new ATOM 0 HB2 LYS A 100 -24.482 1.124 7.531 1.00 0.94 H new ATOM 0 HB3 LYS A 100 -24.225 2.771 8.074 1.00 0.94 H new ATOM 0 HG2 LYS A 100 -25.136 3.681 5.987 1.00 1.63 H new ATOM 0 HG3 LYS A 100 -25.182 2.092 5.249 1.00 1.63 H new ATOM 0 HD2 LYS A 100 -26.873 1.325 6.887 1.00 2.19 H new ATOM 0 HD3 LYS A 100 -26.755 2.836 7.769 1.00 2.19 H new ATOM 0 HE2 LYS A 100 -28.700 3.034 6.335 1.00 2.84 H new ATOM 0 HE3 LYS A 100 -27.461 4.050 5.626 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 -27.851 2.876 3.773 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 -26.955 1.630 4.499 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 -28.650 1.627 4.601 1.00 3.18 H new ATOM 1573 N GLY A 101 -21.527 2.299 8.526 1.00 0.01 N ATOM 1574 CA GLY A 101 -20.517 1.842 9.521 1.00 0.01 C ATOM 1575 C GLY A 101 -21.048 0.661 10.340 1.00 0.00 C ATOM 1576 O GLY A 101 -22.221 0.332 10.315 1.00 0.01 O ATOM 0 H GLY A 101 -21.947 3.206 8.728 1.00 0.01 H new ATOM 0 HA2 GLY A 101 -19.601 1.550 9.007 1.00 0.01 H new ATOM 0 HA3 GLY A 101 -20.260 2.665 10.188 1.00 0.01 H new ATOM 1580 N ASP A 102 -20.166 0.044 11.082 1.00 0.01 N ATOM 1581 CA ASP A 102 -20.539 -1.104 11.963 1.00 0.00 C ATOM 1582 C ASP A 102 -21.268 -2.195 11.185 1.00 0.00 C ATOM 1583 O ASP A 102 -22.186 -2.823 11.675 1.00 0.01 O ATOM 1584 CB ASP A 102 -21.426 -0.599 13.103 1.00 0.01 C ATOM 1585 CG ASP A 102 -21.672 -1.729 14.103 1.00 0.01 C ATOM 1586 OD1 ASP A 102 -21.132 -2.805 13.893 1.00 0.01 O ATOM 1587 OD2 ASP A 102 -22.391 -1.502 15.061 1.00 0.01 O ATOM 0 H ASP A 102 -19.178 0.294 11.115 1.00 0.01 H new ATOM 0 HA ASP A 102 -19.623 -1.538 12.365 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -20.948 0.244 13.602 1.00 0.01 H new ATOM 0 HB3 ASP A 102 -22.375 -0.238 12.706 1.00 0.01 H new ATOM 1592 N PHE A 103 -20.835 -2.447 9.983 1.00 0.01 N ATOM 1593 CA PHE A 103 -21.453 -3.517 9.159 1.00 0.01 C ATOM 1594 C PHE A 103 -22.967 -3.336 9.081 1.00 0.00 C ATOM 1595 O PHE A 103 -23.720 -4.272 9.266 1.00 0.01 O ATOM 1596 CB PHE A 103 -21.135 -4.879 9.786 1.00 0.01 C ATOM 1597 CG PHE A 103 -19.679 -4.922 10.190 1.00 0.00 C ATOM 1598 CD1 PHE A 103 -18.687 -5.078 9.214 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -19.321 -4.810 11.540 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -17.337 -5.121 9.588 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -17.972 -4.854 11.912 1.00 0.01 C ATOM 1602 CZ PHE A 103 -16.980 -5.009 10.936 1.00 0.01 C ATOM 0 H PHE A 103 -20.068 -1.949 9.531 1.00 0.01 H new ATOM 0 HA PHE A 103 -21.046 -3.462 8.149 1.00 0.01 H new ATOM 0 HB2 PHE A 103 -21.770 -5.048 10.656 1.00 0.01 H new ATOM 0 HB3 PHE A 103 -21.350 -5.677 9.075 1.00 0.01 H new ATOM 0 HD1 PHE A 103 -18.962 -5.165 8.173 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -20.085 -4.690 12.293 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -16.572 -5.241 8.835 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -17.696 -4.768 12.953 1.00 0.01 H new ATOM 0 HZ PHE A 103 -15.940 -5.042 11.224 1.00 0.01 H new ATOM 1612 N ASN A 104 -23.415 -2.144 8.783 1.00 0.00 N ATOM 1613 CA ASN A 104 -24.884 -1.881 8.656 1.00 0.01 C ATOM 1614 C ASN A 104 -25.157 -1.350 7.248 1.00 0.01 C ATOM 1615 O ASN A 104 -24.252 -0.960 6.536 1.00 0.01 O ATOM 1616 CB ASN A 104 -25.315 -0.832 9.685 1.00 1.68 C ATOM 1617 CG ASN A 104 -26.777 -0.450 9.447 1.00 2.31 C ATOM 1618 OD1 ASN A 104 -27.567 -1.262 9.006 1.00 3.15 O ATOM 1619 ND2 ASN A 104 -27.176 0.764 9.723 1.00 2.38 N ATOM 0 H ASN A 104 -22.821 -1.331 8.620 1.00 0.00 H new ATOM 0 HA ASN A 104 -25.443 -2.800 8.832 1.00 0.01 H new ATOM 0 HB2 ASN A 104 -25.191 -1.225 10.694 1.00 1.68 H new ATOM 0 HB3 ASN A 104 -24.681 0.051 9.607 1.00 1.68 H new ATOM 0 HD21 ASN A 104 -28.149 1.029 9.568 1.00 2.38 H new ATOM 0 HD22 ASN A 104 -26.514 1.446 10.093 1.00 2.38 H new ATOM 1626 N GLY A 105 -26.394 -1.353 6.828 1.00 0.01 N ATOM 1627 CA GLY A 105 -26.717 -0.862 5.456 1.00 0.01 C ATOM 1628 C GLY A 105 -26.662 -2.035 4.479 1.00 0.01 C ATOM 1629 O GLY A 105 -26.684 -3.182 4.877 1.00 0.01 O ATOM 0 H GLY A 105 -27.194 -1.673 7.374 1.00 0.01 H new ATOM 0 HA2 GLY A 105 -27.708 -0.408 5.443 1.00 0.01 H new ATOM 0 HA3 GLY A 105 -26.008 -0.090 5.157 1.00 0.01 H new ATOM 1633 N GLN A 106 -26.582 -1.771 3.204 1.00 0.01 N ATOM 1634 CA GLN A 106 -26.513 -2.888 2.224 1.00 0.01 C ATOM 1635 C GLN A 106 -25.109 -3.498 2.253 1.00 0.01 C ATOM 1636 O GLN A 106 -24.115 -2.808 2.388 1.00 0.01 O ATOM 1637 CB GLN A 106 -26.808 -2.350 0.822 1.00 0.01 C ATOM 1638 CG GLN A 106 -27.015 -3.523 -0.139 1.00 0.01 C ATOM 1639 CD GLN A 106 -28.374 -4.171 0.134 1.00 0.01 C ATOM 1640 OE1 GLN A 106 -28.498 -5.001 1.012 1.00 0.01 O ATOM 1641 NE2 GLN A 106 -29.405 -3.827 -0.588 1.00 0.01 N ATOM 0 H GLN A 106 -26.562 -0.834 2.801 1.00 0.01 H new ATOM 0 HA GLN A 106 -27.247 -3.651 2.482 1.00 0.01 H new ATOM 0 HB2 GLN A 106 -27.698 -1.720 0.842 1.00 0.01 H new ATOM 0 HB3 GLN A 106 -25.983 -1.726 0.479 1.00 0.01 H new ATOM 0 HG2 GLN A 106 -26.967 -3.175 -1.171 1.00 0.01 H new ATOM 0 HG3 GLN A 106 -26.218 -4.256 -0.012 1.00 0.01 H new ATOM 0 HE21 GLN A 106 -29.301 -3.130 -1.325 1.00 0.01 H new ATOM 0 HE22 GLN A 106 -30.315 -4.255 -0.415 1.00 0.01 H new ATOM 1650 N MET A 107 -25.037 -4.801 2.129 1.00 0.01 N ATOM 1651 CA MET A 107 -23.719 -5.511 2.149 1.00 0.01 C ATOM 1652 C MET A 107 -23.482 -6.187 0.798 1.00 0.01 C ATOM 1653 O MET A 107 -24.387 -6.708 0.180 1.00 0.01 O ATOM 1654 CB MET A 107 -23.742 -6.583 3.243 1.00 0.00 C ATOM 1655 CG MET A 107 -22.350 -7.205 3.391 1.00 0.01 C ATOM 1656 SD MET A 107 -22.436 -8.606 4.537 1.00 0.01 S ATOM 1657 CE MET A 107 -22.850 -9.870 3.314 1.00 0.01 C ATOM 0 H MET A 107 -25.846 -5.411 2.013 1.00 0.01 H new ATOM 0 HA MET A 107 -22.923 -4.793 2.345 1.00 0.01 H new ATOM 0 HB2 MET A 107 -24.056 -6.143 4.189 1.00 0.00 H new ATOM 0 HB3 MET A 107 -24.470 -7.355 2.993 1.00 0.00 H new ATOM 0 HG2 MET A 107 -21.983 -7.537 2.420 1.00 0.01 H new ATOM 0 HG3 MET A 107 -21.645 -6.461 3.761 1.00 0.01 H new ATOM 0 HE1 MET A 107 -22.953 -10.836 3.809 1.00 0.01 H new ATOM 0 HE2 MET A 107 -23.789 -9.610 2.826 1.00 0.01 H new ATOM 0 HE3 MET A 107 -22.057 -9.928 2.568 1.00 0.01 H new ATOM 1667 N TYR A 108 -22.252 -6.196 0.351 1.00 0.01 N ATOM 1668 CA TYR A 108 -21.902 -6.847 -0.950 1.00 0.00 C ATOM 1669 C TYR A 108 -20.668 -7.730 -0.731 1.00 0.01 C ATOM 1670 O TYR A 108 -19.728 -7.352 -0.059 1.00 0.01 O ATOM 1671 CB TYR A 108 -21.591 -5.773 -1.994 1.00 0.54 C ATOM 1672 CG TYR A 108 -22.877 -5.121 -2.440 1.00 0.60 C ATOM 1673 CD1 TYR A 108 -23.646 -5.711 -3.451 1.00 1.24 C ATOM 1674 CD2 TYR A 108 -23.305 -3.929 -1.841 1.00 0.93 C ATOM 1675 CE1 TYR A 108 -24.840 -5.108 -3.862 1.00 1.76 C ATOM 1676 CE2 TYR A 108 -24.499 -3.327 -2.253 1.00 1.51 C ATOM 1677 CZ TYR A 108 -25.266 -3.917 -3.264 1.00 1.82 C ATOM 1678 OH TYR A 108 -26.443 -3.323 -3.672 1.00 2.48 O ATOM 0 H TYR A 108 -21.463 -5.773 0.840 1.00 0.01 H new ATOM 0 HA TYR A 108 -22.736 -7.452 -1.305 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -20.918 -5.026 -1.574 1.00 0.54 H new ATOM 0 HB3 TYR A 108 -21.080 -6.217 -2.848 1.00 0.54 H new ATOM 0 HD1 TYR A 108 -23.318 -6.630 -3.913 1.00 1.24 H new ATOM 0 HD2 TYR A 108 -22.713 -3.474 -1.061 1.00 0.93 H new ATOM 0 HE1 TYR A 108 -25.433 -5.562 -4.642 1.00 1.76 H new ATOM 0 HE2 TYR A 108 -24.828 -2.408 -1.791 1.00 1.51 H new ATOM 0 HH TYR A 108 -27.066 -4.012 -3.984 1.00 2.48 H new ATOM 1688 N GLU A 109 -20.690 -8.922 -1.276 1.00 0.01 N ATOM 1689 CA GLU A 109 -19.554 -9.885 -1.095 1.00 0.01 C ATOM 1690 C GLU A 109 -18.914 -10.185 -2.450 1.00 0.01 C ATOM 1691 O GLU A 109 -19.597 -10.423 -3.427 1.00 0.01 O ATOM 1692 CB GLU A 109 -20.122 -11.171 -0.484 1.00 0.01 C ATOM 1693 CG GLU A 109 -19.011 -12.220 -0.334 1.00 0.01 C ATOM 1694 CD GLU A 109 -18.783 -12.938 -1.668 1.00 0.00 C ATOM 1695 OE1 GLU A 109 -19.661 -13.680 -2.080 1.00 0.00 O ATOM 1696 OE2 GLU A 109 -17.736 -12.731 -2.259 1.00 0.00 O ATOM 0 H GLU A 109 -21.458 -9.275 -1.847 1.00 0.01 H new ATOM 0 HA GLU A 109 -18.792 -9.462 -0.441 1.00 0.01 H new ATOM 0 HB2 GLU A 109 -20.564 -10.956 0.489 1.00 0.01 H new ATOM 0 HB3 GLU A 109 -20.919 -11.562 -1.116 1.00 0.01 H new ATOM 0 HG2 GLU A 109 -18.088 -11.740 -0.008 1.00 0.01 H new ATOM 0 HG3 GLU A 109 -19.284 -12.943 0.435 1.00 0.01 H new ATOM 1703 N THR A 110 -17.601 -10.173 -2.527 1.00 0.01 N ATOM 1704 CA THR A 110 -16.944 -10.456 -3.838 1.00 0.00 C ATOM 1705 C THR A 110 -15.578 -11.125 -3.645 1.00 0.01 C ATOM 1706 O THR A 110 -14.863 -10.893 -2.675 1.00 0.01 O ATOM 1707 CB THR A 110 -16.754 -9.150 -4.614 1.00 1.21 C ATOM 1708 OG1 THR A 110 -16.211 -9.436 -5.896 1.00 1.65 O ATOM 1709 CG2 THR A 110 -15.798 -8.234 -3.851 1.00 1.69 C ATOM 0 H THR A 110 -16.968 -9.982 -1.750 1.00 0.01 H new ATOM 0 HA THR A 110 -17.589 -11.136 -4.395 1.00 0.00 H new ATOM 0 HB THR A 110 -17.718 -8.654 -4.728 1.00 1.21 H new ATOM 0 HG1 THR A 110 -16.091 -8.601 -6.394 1.00 1.65 H new ATOM 0 HG21 THR A 110 -15.664 -7.305 -4.405 1.00 1.69 H new ATOM 0 HG22 THR A 110 -16.213 -8.013 -2.867 1.00 1.69 H new ATOM 0 HG23 THR A 110 -14.834 -8.729 -3.735 1.00 1.69 H new ATOM 1717 N THR A 111 -15.228 -11.959 -4.597 1.00 0.00 N ATOM 1718 CA THR A 111 -13.926 -12.692 -4.566 1.00 0.01 C ATOM 1719 C THR A 111 -13.045 -12.249 -5.744 1.00 0.01 C ATOM 1720 O THR A 111 -12.012 -12.836 -6.003 1.00 0.01 O ATOM 1721 CB THR A 111 -14.195 -14.195 -4.675 1.00 0.01 C ATOM 1722 OG1 THR A 111 -15.141 -14.429 -5.707 1.00 0.01 O ATOM 1723 CG2 THR A 111 -14.747 -14.717 -3.347 1.00 0.01 C ATOM 0 H THR A 111 -15.806 -12.165 -5.412 1.00 0.00 H new ATOM 0 HA THR A 111 -13.411 -12.471 -3.631 1.00 0.01 H new ATOM 0 HB THR A 111 -13.265 -14.715 -4.907 1.00 0.01 H new ATOM 0 HG1 THR A 111 -15.038 -15.343 -6.044 1.00 0.01 H new ATOM 0 HG21 THR A 111 -14.938 -15.787 -3.428 1.00 0.01 H new ATOM 0 HG22 THR A 111 -14.020 -14.536 -2.555 1.00 0.01 H new ATOM 0 HG23 THR A 111 -15.677 -14.200 -3.111 1.00 0.01 H new ATOM 1731 N GLU A 112 -13.470 -11.245 -6.483 1.00 0.01 N ATOM 1732 CA GLU A 112 -12.687 -10.786 -7.683 1.00 0.01 C ATOM 1733 C GLU A 112 -12.294 -9.312 -7.554 1.00 0.01 C ATOM 1734 O GLU A 112 -12.850 -8.575 -6.765 1.00 0.01 O ATOM 1735 CB GLU A 112 -13.545 -10.965 -8.938 1.00 0.85 C ATOM 1736 CG GLU A 112 -13.904 -12.442 -9.104 1.00 1.61 C ATOM 1737 CD GLU A 112 -14.868 -12.607 -10.283 1.00 2.51 C ATOM 1738 OE1 GLU A 112 -15.304 -11.597 -10.809 1.00 3.07 O ATOM 1739 OE2 GLU A 112 -15.153 -13.737 -10.636 1.00 3.21 O ATOM 0 H GLU A 112 -14.328 -10.722 -6.306 1.00 0.01 H new ATOM 0 HA GLU A 112 -11.777 -11.383 -7.751 1.00 0.01 H new ATOM 0 HB2 GLU A 112 -14.452 -10.366 -8.860 1.00 0.85 H new ATOM 0 HB3 GLU A 112 -13.004 -10.611 -9.815 1.00 0.85 H new ATOM 0 HG2 GLU A 112 -13.002 -13.029 -9.274 1.00 1.61 H new ATOM 0 HG3 GLU A 112 -14.363 -12.820 -8.190 1.00 1.61 H new ATOM 1746 N ASP A 113 -11.345 -8.872 -8.341 1.00 0.01 N ATOM 1747 CA ASP A 113 -10.915 -7.444 -8.292 1.00 0.01 C ATOM 1748 C ASP A 113 -12.037 -6.545 -8.822 1.00 0.00 C ATOM 1749 O ASP A 113 -12.828 -6.948 -9.650 1.00 0.01 O ATOM 1750 CB ASP A 113 -9.684 -7.271 -9.183 1.00 0.01 C ATOM 1751 CG ASP A 113 -8.501 -8.018 -8.569 1.00 0.01 C ATOM 1752 OD1 ASP A 113 -8.649 -8.520 -7.467 1.00 0.00 O ATOM 1753 OD2 ASP A 113 -7.464 -8.075 -9.212 1.00 0.00 O ATOM 0 H ASP A 113 -10.847 -9.447 -9.020 1.00 0.01 H new ATOM 0 HA ASP A 113 -10.684 -7.169 -7.263 1.00 0.01 H new ATOM 0 HB2 ASP A 113 -9.889 -7.653 -10.183 1.00 0.01 H new ATOM 0 HB3 ASP A 113 -9.444 -6.213 -9.289 1.00 0.01 H new ATOM 1758 N CYS A 114 -12.086 -5.313 -8.367 1.00 0.01 N ATOM 1759 CA CYS A 114 -13.127 -4.348 -8.854 1.00 0.01 C ATOM 1760 C CYS A 114 -12.425 -3.064 -9.354 1.00 0.01 C ATOM 1761 O CYS A 114 -11.851 -2.346 -8.551 1.00 0.01 O ATOM 1762 CB CYS A 114 -14.045 -3.978 -7.688 1.00 0.01 C ATOM 1763 SG CYS A 114 -15.260 -2.753 -8.238 1.00 0.01 S ATOM 0 H CYS A 114 -11.443 -4.932 -7.673 1.00 0.01 H new ATOM 0 HA CYS A 114 -13.705 -4.801 -9.660 1.00 0.01 H new ATOM 0 HB2 CYS A 114 -14.553 -4.867 -7.315 1.00 0.01 H new ATOM 0 HB3 CYS A 114 -13.457 -3.577 -6.862 1.00 0.01 H new ATOM 0 HG CYS A 114 -16.294 -3.362 -8.739 1.00 0.01 H new ATOM 1769 N PRO A 115 -12.465 -2.739 -10.641 1.00 0.01 N ATOM 1770 CA PRO A 115 -11.805 -1.492 -11.131 1.00 0.01 C ATOM 1771 C PRO A 115 -12.626 -0.242 -10.783 1.00 0.01 C ATOM 1772 O PRO A 115 -12.079 0.816 -10.542 1.00 0.01 O ATOM 1773 CB PRO A 115 -11.749 -1.724 -12.649 1.00 0.01 C ATOM 1774 CG PRO A 115 -12.780 -2.814 -12.992 1.00 0.01 C ATOM 1775 CD PRO A 115 -13.138 -3.562 -11.692 1.00 0.01 C ATOM 0 HA PRO A 115 -10.828 -1.314 -10.681 1.00 0.01 H new ATOM 0 HB2 PRO A 115 -11.974 -0.802 -13.186 1.00 0.01 H new ATOM 0 HB3 PRO A 115 -10.749 -2.034 -12.952 1.00 0.01 H new ATOM 0 HG2 PRO A 115 -13.672 -2.369 -13.433 1.00 0.01 H new ATOM 0 HG3 PRO A 115 -12.372 -3.506 -13.729 1.00 0.01 H new ATOM 0 HD2 PRO A 115 -14.216 -3.612 -11.538 1.00 0.01 H new ATOM 0 HD3 PRO A 115 -12.769 -4.588 -11.701 1.00 0.01 H new ATOM 1783 N SER A 116 -13.930 -0.354 -10.767 1.00 0.01 N ATOM 1784 CA SER A 116 -14.790 0.826 -10.441 1.00 0.02 C ATOM 1785 C SER A 116 -15.961 0.354 -9.577 1.00 0.01 C ATOM 1786 O SER A 116 -16.874 -0.312 -10.033 1.00 0.00 O ATOM 1787 CB SER A 116 -15.313 1.445 -11.739 1.00 0.01 C ATOM 1788 OG SER A 116 -15.862 0.423 -12.562 1.00 0.01 O ATOM 0 H SER A 116 -14.439 -1.215 -10.966 1.00 0.01 H new ATOM 0 HA SER A 116 -14.214 1.576 -9.898 1.00 0.02 H new ATOM 0 HB2 SER A 116 -16.072 2.195 -11.517 1.00 0.01 H new ATOM 0 HB3 SER A 116 -14.505 1.955 -12.263 1.00 0.01 H new ATOM 0 HG SER A 116 -16.341 -0.224 -12.004 1.00 0.01 H new ATOM 1794 N ILE A 117 -15.913 0.681 -8.315 1.00 0.01 N ATOM 1795 CA ILE A 117 -16.975 0.246 -7.369 1.00 0.01 C ATOM 1796 C ILE A 117 -18.318 0.887 -7.714 1.00 0.01 C ATOM 1797 O ILE A 117 -19.348 0.254 -7.604 1.00 0.00 O ATOM 1798 CB ILE A 117 -16.544 0.636 -5.956 1.00 0.57 C ATOM 1799 CG1 ILE A 117 -15.279 -0.153 -5.603 1.00 1.44 C ATOM 1800 CG2 ILE A 117 -17.654 0.301 -4.953 1.00 0.93 C ATOM 1801 CD1 ILE A 117 -14.613 0.441 -4.363 1.00 1.83 C ATOM 0 H ILE A 117 -15.171 1.240 -7.895 1.00 0.01 H new ATOM 0 HA ILE A 117 -17.106 -0.834 -7.439 1.00 0.01 H new ATOM 0 HB ILE A 117 -16.348 1.707 -5.912 1.00 0.57 H new ATOM 0 HG12 ILE A 117 -15.532 -1.198 -5.423 1.00 1.44 H new ATOM 0 HG13 ILE A 117 -14.584 -0.133 -6.442 1.00 1.44 H new ATOM 0 HG21 ILE A 117 -17.335 0.583 -3.950 1.00 0.93 H new ATOM 0 HG22 ILE A 117 -18.558 0.850 -5.214 1.00 0.93 H new ATOM 0 HG23 ILE A 117 -17.859 -0.769 -4.981 1.00 0.93 H new ATOM 0 HD11 ILE A 117 -13.716 -0.129 -4.124 1.00 1.83 H new ATOM 0 HD12 ILE A 117 -14.342 1.479 -4.557 1.00 1.83 H new ATOM 0 HD13 ILE A 117 -15.305 0.398 -3.522 1.00 1.83 H new ATOM 1813 N MET A 118 -18.330 2.134 -8.103 1.00 0.02 N ATOM 1814 CA MET A 118 -19.634 2.781 -8.414 1.00 0.01 C ATOM 1815 C MET A 118 -20.240 2.138 -9.658 1.00 0.01 C ATOM 1816 O MET A 118 -21.436 1.955 -9.746 1.00 0.02 O ATOM 1817 CB MET A 118 -19.443 4.281 -8.648 1.00 0.24 C ATOM 1818 CG MET A 118 -20.806 4.977 -8.646 1.00 0.63 C ATOM 1819 SD MET A 118 -20.604 6.692 -9.187 1.00 1.20 S ATOM 1820 CE MET A 118 -22.299 6.951 -9.759 1.00 1.34 C ATOM 0 H MET A 118 -17.506 2.724 -8.217 1.00 0.02 H new ATOM 0 HA MET A 118 -20.307 2.643 -7.568 1.00 0.01 H new ATOM 0 HB2 MET A 118 -18.807 4.703 -7.870 1.00 0.24 H new ATOM 0 HB3 MET A 118 -18.938 4.450 -9.599 1.00 0.24 H new ATOM 0 HG2 MET A 118 -21.495 4.454 -9.309 1.00 0.63 H new ATOM 0 HG3 MET A 118 -21.240 4.948 -7.647 1.00 0.63 H new ATOM 0 HE1 MET A 118 -22.402 7.966 -10.143 1.00 1.34 H new ATOM 0 HE2 MET A 118 -22.528 6.239 -10.551 1.00 1.34 H new ATOM 0 HE3 MET A 118 -22.990 6.805 -8.928 1.00 1.34 H new ATOM 1830 N GLU A 119 -19.444 1.785 -10.621 1.00 0.01 N ATOM 1831 CA GLU A 119 -20.016 1.157 -11.842 1.00 0.02 C ATOM 1832 C GLU A 119 -20.537 -0.243 -11.511 1.00 0.02 C ATOM 1833 O GLU A 119 -21.535 -0.688 -12.041 1.00 0.01 O ATOM 1834 CB GLU A 119 -18.928 1.054 -12.913 1.00 0.30 C ATOM 1835 CG GLU A 119 -19.572 0.738 -14.263 1.00 0.99 C ATOM 1836 CD GLU A 119 -20.278 1.985 -14.800 1.00 1.69 C ATOM 1837 OE1 GLU A 119 -19.739 3.068 -14.633 1.00 2.07 O ATOM 1838 OE2 GLU A 119 -21.346 1.838 -15.368 1.00 2.11 O ATOM 0 H GLU A 119 -18.431 1.901 -10.619 1.00 0.01 H new ATOM 0 HA GLU A 119 -20.840 1.768 -12.210 1.00 0.02 H new ATOM 0 HB2 GLU A 119 -18.372 1.990 -12.973 1.00 0.30 H new ATOM 0 HB3 GLU A 119 -18.213 0.275 -12.647 1.00 0.30 H new ATOM 0 HG2 GLU A 119 -18.813 0.405 -14.970 1.00 0.99 H new ATOM 0 HG3 GLU A 119 -20.286 -0.078 -14.154 1.00 0.99 H new ATOM 1845 N GLN A 120 -19.834 -0.961 -10.675 1.00 0.00 N ATOM 1846 CA GLN A 120 -20.253 -2.358 -10.355 1.00 0.01 C ATOM 1847 C GLN A 120 -21.384 -2.403 -9.316 1.00 0.01 C ATOM 1848 O GLN A 120 -22.323 -3.163 -9.456 1.00 0.01 O ATOM 1849 CB GLN A 120 -19.046 -3.132 -9.820 1.00 0.52 C ATOM 1850 CG GLN A 120 -19.473 -4.553 -9.445 1.00 1.07 C ATOM 1851 CD GLN A 120 -18.231 -5.413 -9.209 1.00 1.08 C ATOM 1852 OE1 GLN A 120 -17.127 -4.908 -9.158 1.00 0.98 O ATOM 1853 NE2 GLN A 120 -18.366 -6.703 -9.059 1.00 2.08 N ATOM 0 H GLN A 120 -18.989 -0.642 -10.201 1.00 0.00 H new ATOM 0 HA GLN A 120 -20.630 -2.811 -11.272 1.00 0.01 H new ATOM 0 HB2 GLN A 120 -18.259 -3.165 -10.574 1.00 0.52 H new ATOM 0 HB3 GLN A 120 -18.632 -2.624 -8.949 1.00 0.52 H new ATOM 0 HG2 GLN A 120 -20.091 -4.534 -8.547 1.00 1.07 H new ATOM 0 HG3 GLN A 120 -20.081 -4.984 -10.241 1.00 1.07 H new ATOM 0 HE21 GLN A 120 -19.293 -7.127 -9.102 1.00 2.08 H new ATOM 0 HE22 GLN A 120 -17.545 -7.287 -8.899 1.00 2.08 H new ATOM 1862 N PHE A 121 -21.267 -1.654 -8.246 1.00 0.02 N ATOM 1863 CA PHE A 121 -22.302 -1.716 -7.156 1.00 0.01 C ATOM 1864 C PHE A 121 -23.149 -0.446 -7.074 1.00 0.01 C ATOM 1865 O PHE A 121 -24.026 -0.340 -6.240 1.00 0.01 O ATOM 1866 CB PHE A 121 -21.590 -1.928 -5.821 1.00 0.01 C ATOM 1867 CG PHE A 121 -20.641 -3.096 -5.934 1.00 0.01 C ATOM 1868 CD1 PHE A 121 -19.355 -2.902 -6.445 1.00 0.01 C ATOM 1869 CD2 PHE A 121 -21.049 -4.372 -5.528 1.00 0.01 C ATOM 1870 CE1 PHE A 121 -18.473 -3.986 -6.551 1.00 0.01 C ATOM 1871 CE2 PHE A 121 -20.168 -5.455 -5.635 1.00 0.01 C ATOM 1872 CZ PHE A 121 -18.880 -5.263 -6.146 1.00 0.01 C ATOM 0 H PHE A 121 -20.501 -1.002 -8.077 1.00 0.02 H new ATOM 0 HA PHE A 121 -22.977 -2.541 -7.384 1.00 0.01 H new ATOM 0 HB2 PHE A 121 -21.043 -1.027 -5.542 1.00 0.01 H new ATOM 0 HB3 PHE A 121 -22.320 -2.114 -5.033 1.00 0.01 H new ATOM 0 HD1 PHE A 121 -19.041 -1.917 -6.758 1.00 0.01 H new ATOM 0 HD2 PHE A 121 -22.043 -4.521 -5.132 1.00 0.01 H new ATOM 0 HE1 PHE A 121 -17.479 -3.836 -6.945 1.00 0.01 H new ATOM 0 HE2 PHE A 121 -20.483 -6.440 -5.323 1.00 0.01 H new ATOM 0 HZ PHE A 121 -18.201 -6.099 -6.228 1.00 0.01 H new ATOM 1882 N HIS A 122 -22.907 0.523 -7.910 1.00 0.01 N ATOM 1883 CA HIS A 122 -23.713 1.774 -7.845 1.00 0.01 C ATOM 1884 C HIS A 122 -23.546 2.415 -6.464 1.00 0.01 C ATOM 1885 O HIS A 122 -24.454 3.028 -5.939 1.00 0.02 O ATOM 1886 CB HIS A 122 -25.187 1.440 -8.103 1.00 0.01 C ATOM 1887 CG HIS A 122 -25.278 0.393 -9.180 1.00 0.01 C ATOM 1888 ND1 HIS A 122 -25.632 -0.919 -8.905 1.00 0.01 N ATOM 1889 CD2 HIS A 122 -25.066 0.449 -10.537 1.00 0.01 C ATOM 1890 CE1 HIS A 122 -25.622 -1.593 -10.071 1.00 0.00 C ATOM 1891 NE2 HIS A 122 -25.282 -0.806 -11.095 1.00 0.01 N ATOM 0 H HIS A 122 -22.188 0.504 -8.634 1.00 0.01 H new ATOM 0 HA HIS A 122 -23.370 2.477 -8.604 1.00 0.01 H new ATOM 0 HB2 HIS A 122 -25.656 1.078 -7.188 1.00 0.01 H new ATOM 0 HB3 HIS A 122 -25.728 2.337 -8.405 1.00 0.01 H new ATOM 0 HD2 HIS A 122 -24.776 1.333 -11.086 1.00 0.01 H new ATOM 0 HE1 HIS A 122 -25.860 -2.642 -10.166 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -25.199 -1.069 -12.077 1.00 0.01 H new ATOM 1899 N LEU A 123 -22.378 2.274 -5.874 1.00 0.01 N ATOM 1900 CA LEU A 123 -22.121 2.873 -4.517 1.00 0.01 C ATOM 1901 C LEU A 123 -21.086 3.992 -4.663 1.00 0.02 C ATOM 1902 O LEU A 123 -20.093 3.849 -5.348 1.00 0.01 O ATOM 1903 CB LEU A 123 -21.575 1.778 -3.570 1.00 0.01 C ATOM 1904 CG LEU A 123 -22.728 1.088 -2.812 1.00 0.01 C ATOM 1905 CD1 LEU A 123 -22.277 -0.294 -2.323 1.00 0.01 C ATOM 1906 CD2 LEU A 123 -23.133 1.928 -1.591 1.00 0.01 C ATOM 0 H LEU A 123 -21.588 1.768 -6.275 1.00 0.01 H new ATOM 0 HA LEU A 123 -23.045 3.277 -4.103 1.00 0.01 H new ATOM 0 HB2 LEU A 123 -21.017 1.039 -4.144 1.00 0.01 H new ATOM 0 HB3 LEU A 123 -20.878 2.220 -2.858 1.00 0.01 H new ATOM 0 HG LEU A 123 -23.575 0.987 -3.490 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -23.096 -0.776 -1.789 1.00 0.01 H new ATOM 0 HD12 LEU A 123 -21.991 -0.907 -3.178 1.00 0.01 H new ATOM 0 HD13 LEU A 123 -21.423 -0.183 -1.655 1.00 0.01 H new ATOM 0 HD21 LEU A 123 -23.948 1.433 -1.063 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -22.278 2.034 -0.923 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -23.461 2.914 -1.920 1.00 0.01 H new ATOM 1918 N ARG A 124 -21.318 5.112 -4.026 1.00 0.01 N ATOM 1919 CA ARG A 124 -20.359 6.250 -4.129 1.00 0.00 C ATOM 1920 C ARG A 124 -19.333 6.191 -2.991 1.00 0.01 C ATOM 1921 O ARG A 124 -18.260 6.752 -3.084 1.00 0.01 O ATOM 1922 CB ARG A 124 -21.125 7.573 -4.040 1.00 1.67 C ATOM 1923 CG ARG A 124 -22.316 7.540 -5.001 1.00 1.98 C ATOM 1924 CD ARG A 124 -22.881 8.953 -5.166 1.00 2.92 C ATOM 1925 NE ARG A 124 -24.028 8.922 -6.114 1.00 3.54 N ATOM 1926 CZ ARG A 124 -24.846 9.938 -6.182 1.00 4.57 C ATOM 1927 NH1 ARG A 124 -24.655 10.979 -5.421 1.00 5.25 N ATOM 1928 NH2 ARG A 124 -25.852 9.910 -7.012 1.00 5.32 N ATOM 0 H ARG A 124 -22.133 5.286 -3.438 1.00 0.01 H new ATOM 0 HA ARG A 124 -19.838 6.181 -5.084 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -21.472 7.736 -3.020 1.00 1.67 H new ATOM 0 HB3 ARG A 124 -20.466 8.404 -4.290 1.00 1.67 H new ATOM 0 HG2 ARG A 124 -22.005 7.146 -5.969 1.00 1.98 H new ATOM 0 HG3 ARG A 124 -23.087 6.871 -4.618 1.00 1.98 H new ATOM 0 HD2 ARG A 124 -23.204 9.342 -4.200 1.00 2.92 H new ATOM 0 HD3 ARG A 124 -22.107 9.625 -5.537 1.00 2.92 H new ATOM 0 HE ARG A 124 -24.175 8.108 -6.710 1.00 3.54 H new ATOM 0 HH11 ARG A 124 -23.867 11.000 -4.773 1.00 5.25 H new ATOM 0 HH12 ARG A 124 -25.293 11.773 -5.473 1.00 5.25 H new ATOM 0 HH21 ARG A 124 -25.999 9.095 -7.607 1.00 5.32 H new ATOM 0 HH22 ARG A 124 -26.491 10.703 -7.066 1.00 5.32 H new ATOM 1942 N GLU A 125 -19.666 5.538 -1.902 1.00 0.01 N ATOM 1943 CA GLU A 125 -18.722 5.467 -0.743 1.00 0.01 C ATOM 1944 C GLU A 125 -18.915 4.149 0.012 1.00 0.01 C ATOM 1945 O GLU A 125 -19.927 3.490 -0.118 1.00 0.01 O ATOM 1946 CB GLU A 125 -19.014 6.623 0.215 1.00 0.01 C ATOM 1947 CG GLU A 125 -18.819 7.952 -0.517 1.00 0.01 C ATOM 1948 CD GLU A 125 -18.795 9.098 0.497 1.00 0.02 C ATOM 1949 OE1 GLU A 125 -19.862 9.586 0.836 1.00 0.01 O ATOM 1950 OE2 GLU A 125 -17.709 9.471 0.915 1.00 0.02 O ATOM 0 H GLU A 125 -20.552 5.051 -1.767 1.00 0.01 H new ATOM 0 HA GLU A 125 -17.699 5.529 -1.115 1.00 0.01 H new ATOM 0 HB2 GLU A 125 -20.034 6.549 0.591 1.00 0.01 H new ATOM 0 HB3 GLU A 125 -18.351 6.570 1.079 1.00 0.01 H new ATOM 0 HG2 GLU A 125 -17.887 7.934 -1.083 1.00 0.01 H new ATOM 0 HG3 GLU A 125 -19.625 8.105 -1.235 1.00 0.01 H new ATOM 1957 N ILE A 126 -17.959 3.784 0.831 1.00 0.01 N ATOM 1958 CA ILE A 126 -18.072 2.532 1.649 1.00 0.01 C ATOM 1959 C ILE A 126 -17.695 2.896 3.088 1.00 0.01 C ATOM 1960 O ILE A 126 -16.698 3.556 3.310 1.00 0.01 O ATOM 1961 CB ILE A 126 -17.106 1.472 1.104 1.00 1.33 C ATOM 1962 CG1 ILE A 126 -17.702 0.879 -0.174 1.00 1.49 C ATOM 1963 CG2 ILE A 126 -16.908 0.352 2.137 1.00 2.17 C ATOM 1964 CD1 ILE A 126 -16.656 0.009 -0.867 1.00 1.70 C ATOM 0 H ILE A 126 -17.094 4.306 0.970 1.00 0.01 H new ATOM 0 HA ILE A 126 -19.083 2.126 1.608 1.00 0.01 H new ATOM 0 HB ILE A 126 -16.141 1.933 0.896 1.00 1.33 H new ATOM 0 HG12 ILE A 126 -18.584 0.285 0.065 1.00 1.49 H new ATOM 0 HG13 ILE A 126 -18.026 1.677 -0.841 1.00 1.49 H new ATOM 0 HG21 ILE A 126 -16.220 -0.394 1.738 1.00 2.17 H new ATOM 0 HG22 ILE A 126 -16.495 0.772 3.054 1.00 2.17 H new ATOM 0 HG23 ILE A 126 -17.868 -0.118 2.353 1.00 2.17 H new ATOM 0 HD11 ILE A 126 -17.080 -0.414 -1.778 1.00 1.70 H new ATOM 0 HD12 ILE A 126 -15.787 0.616 -1.119 1.00 1.70 H new ATOM 0 HD13 ILE A 126 -16.353 -0.798 -0.199 1.00 1.70 H new ATOM 1976 N HIS A 127 -18.507 2.537 4.061 1.00 0.01 N ATOM 1977 CA HIS A 127 -18.197 2.955 5.474 1.00 0.01 C ATOM 1978 C HIS A 127 -17.673 1.799 6.327 1.00 0.01 C ATOM 1979 O HIS A 127 -17.137 2.016 7.396 1.00 0.01 O ATOM 1980 CB HIS A 127 -19.451 3.550 6.124 1.00 0.02 C ATOM 1981 CG HIS A 127 -19.707 4.927 5.570 1.00 0.01 C ATOM 1982 ND1 HIS A 127 -19.969 6.016 6.386 1.00 0.01 N ATOM 1983 CD2 HIS A 127 -19.741 5.406 4.284 1.00 0.01 C ATOM 1984 CE1 HIS A 127 -20.148 7.085 5.589 1.00 0.01 C ATOM 1985 NE2 HIS A 127 -20.019 6.769 4.298 1.00 0.02 N ATOM 0 H HIS A 127 -19.355 1.983 3.943 1.00 0.01 H new ATOM 0 HA HIS A 127 -17.406 3.704 5.424 1.00 0.01 H new ATOM 0 HB2 HIS A 127 -20.310 2.906 5.935 1.00 0.02 H new ATOM 0 HB3 HIS A 127 -19.322 3.601 7.205 1.00 0.02 H new ATOM 0 HD2 HIS A 127 -19.577 4.814 3.396 1.00 0.01 H new ATOM 0 HE1 HIS A 127 -20.369 8.079 5.950 1.00 0.01 H new ATOM 0 HE2 HIS A 127 -20.106 7.392 3.495 1.00 0.02 H new ATOM 1993 N SER A 128 -17.772 0.581 5.875 1.00 0.01 N ATOM 1994 CA SER A 128 -17.216 -0.543 6.687 1.00 0.01 C ATOM 1995 C SER A 128 -16.891 -1.695 5.742 1.00 0.01 C ATOM 1996 O SER A 128 -17.490 -1.834 4.696 1.00 0.01 O ATOM 1997 CB SER A 128 -18.253 -0.988 7.727 1.00 0.01 C ATOM 1998 OG SER A 128 -18.231 -2.406 7.849 1.00 0.01 O ATOM 0 H SER A 128 -18.207 0.314 4.992 1.00 0.01 H new ATOM 0 HA SER A 128 -16.314 -0.227 7.211 1.00 0.01 H new ATOM 0 HB2 SER A 128 -18.037 -0.527 8.691 1.00 0.01 H new ATOM 0 HB3 SER A 128 -19.247 -0.654 7.430 1.00 0.01 H new ATOM 0 HG SER A 128 -18.382 -2.656 8.784 1.00 0.01 H new ATOM 2004 N CYS A 129 -15.947 -2.528 6.081 1.00 0.01 N ATOM 2005 CA CYS A 129 -15.606 -3.646 5.167 1.00 0.01 C ATOM 2006 C CYS A 129 -14.812 -4.701 5.929 1.00 0.00 C ATOM 2007 O CYS A 129 -13.991 -4.393 6.772 1.00 0.01 O ATOM 2008 CB CYS A 129 -14.776 -3.121 3.995 1.00 0.69 C ATOM 2009 SG CYS A 129 -14.095 -4.516 3.062 1.00 1.22 S ATOM 0 H CYS A 129 -15.403 -2.482 6.943 1.00 0.01 H new ATOM 0 HA CYS A 129 -16.524 -4.091 4.783 1.00 0.01 H new ATOM 0 HB2 CYS A 129 -15.396 -2.503 3.345 1.00 0.69 H new ATOM 0 HB3 CYS A 129 -13.969 -2.487 4.363 1.00 0.69 H new ATOM 0 HG CYS A 129 -14.989 -5.456 2.973 1.00 1.22 H new ATOM 2015 N LYS A 130 -15.058 -5.955 5.646 1.00 0.01 N ATOM 2016 CA LYS A 130 -14.330 -7.048 6.356 1.00 0.01 C ATOM 2017 C LYS A 130 -13.637 -7.950 5.337 1.00 0.01 C ATOM 2018 O LYS A 130 -14.251 -8.644 4.552 1.00 0.01 O ATOM 2019 CB LYS A 130 -15.329 -7.861 7.199 1.00 0.55 C ATOM 2020 CG LYS A 130 -14.661 -9.139 7.719 1.00 0.80 C ATOM 2021 CD LYS A 130 -15.473 -9.706 8.888 1.00 0.29 C ATOM 2022 CE LYS A 130 -16.903 -9.992 8.426 1.00 0.33 C ATOM 2023 NZ LYS A 130 -17.582 -10.868 9.424 1.00 1.41 N ATOM 0 H LYS A 130 -15.735 -6.269 4.951 1.00 0.01 H new ATOM 0 HA LYS A 130 -13.574 -6.620 7.015 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -15.684 -7.260 8.036 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -16.201 -8.116 6.597 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -14.593 -9.877 6.919 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -13.642 -8.923 8.042 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -15.009 -10.621 9.257 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -15.482 -8.997 9.716 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -17.453 -9.058 8.312 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -16.891 -10.476 7.450 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -18.554 -11.063 9.110 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -17.061 -11.764 9.512 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -17.605 -10.389 10.347 1.00 1.41 H new ATOM 2037 N VAL A 131 -12.342 -7.942 5.375 1.00 0.01 N ATOM 2038 CA VAL A 131 -11.524 -8.791 4.469 1.00 0.01 C ATOM 2039 C VAL A 131 -10.979 -9.902 5.335 1.00 0.01 C ATOM 2040 O VAL A 131 -10.264 -9.632 6.287 1.00 0.01 O ATOM 2041 CB VAL A 131 -10.359 -7.972 3.906 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -9.586 -8.807 2.880 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -10.889 -6.706 3.230 1.00 0.01 C ATOM 0 H VAL A 131 -11.797 -7.365 6.015 1.00 0.01 H new ATOM 0 HA VAL A 131 -12.110 -9.171 3.633 1.00 0.01 H new ATOM 0 HB VAL A 131 -9.695 -7.694 4.725 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -8.758 -8.220 2.482 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -9.196 -9.704 3.361 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -10.253 -9.092 2.066 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -10.054 -6.129 2.832 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -11.560 -6.982 2.416 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -11.431 -6.104 3.959 1.00 0.01 H new ATOM 2053 N VAL A 132 -11.219 -11.157 4.996 1.00 0.01 N ATOM 2054 CA VAL A 132 -10.594 -12.248 5.812 1.00 0.01 C ATOM 2055 C VAL A 132 -10.305 -13.423 4.892 1.00 0.00 C ATOM 2056 O VAL A 132 -10.942 -14.451 4.969 1.00 0.01 O ATOM 2057 CB VAL A 132 -11.559 -12.680 6.923 1.00 1.22 C ATOM 2058 CG1 VAL A 132 -10.914 -13.785 7.777 1.00 1.00 C ATOM 2059 CG2 VAL A 132 -11.877 -11.473 7.810 1.00 1.98 C ATOM 0 H VAL A 132 -11.801 -11.461 4.216 1.00 0.01 H new ATOM 0 HA VAL A 132 -9.670 -11.895 6.271 1.00 0.01 H new ATOM 0 HB VAL A 132 -12.476 -13.063 6.476 1.00 1.22 H new ATOM 0 HG11 VAL A 132 -11.605 -14.087 8.564 1.00 1.00 H new ATOM 0 HG12 VAL A 132 -10.684 -14.644 7.147 1.00 1.00 H new ATOM 0 HG13 VAL A 132 -9.995 -13.408 8.226 1.00 1.00 H new ATOM 0 HG21 VAL A 132 -12.563 -11.774 8.602 1.00 1.98 H new ATOM 0 HG22 VAL A 132 -10.956 -11.094 8.252 1.00 1.98 H new ATOM 0 HG23 VAL A 132 -12.339 -10.691 7.208 1.00 1.98 H new ATOM 2069 N GLU A 133 -9.347 -13.288 4.036 1.00 0.01 N ATOM 2070 CA GLU A 133 -8.990 -14.401 3.118 1.00 0.01 C ATOM 2071 C GLU A 133 -7.987 -13.830 2.116 1.00 0.01 C ATOM 2072 O GLU A 133 -8.360 -13.045 1.262 1.00 0.01 O ATOM 2073 CB GLU A 133 -10.262 -14.950 2.410 1.00 0.00 C ATOM 2074 CG GLU A 133 -10.575 -16.383 2.880 1.00 0.00 C ATOM 2075 CD GLU A 133 -12.026 -16.734 2.537 1.00 0.00 C ATOM 2076 OE1 GLU A 133 -12.285 -17.027 1.381 1.00 0.00 O ATOM 2077 OE2 GLU A 133 -12.851 -16.703 3.433 1.00 0.00 O ATOM 0 H GLU A 133 -8.784 -12.444 3.927 1.00 0.01 H new ATOM 0 HA GLU A 133 -8.552 -15.241 3.656 1.00 0.01 H new ATOM 0 HB2 GLU A 133 -11.111 -14.300 2.622 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -10.115 -14.941 1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -9.897 -17.089 2.401 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -10.415 -16.467 3.955 1.00 0.00 H new ATOM 2084 N GLY A 134 -6.741 -14.201 2.208 1.00 0.01 N ATOM 2085 CA GLY A 134 -5.725 -13.660 1.256 1.00 0.01 C ATOM 2086 C GLY A 134 -5.450 -12.187 1.581 1.00 0.01 C ATOM 2087 O GLY A 134 -5.916 -11.668 2.575 1.00 0.01 O ATOM 0 H GLY A 134 -6.379 -14.856 2.901 1.00 0.01 H new ATOM 0 HA2 GLY A 134 -4.803 -14.237 1.326 1.00 0.01 H new ATOM 0 HA3 GLY A 134 -6.084 -13.756 0.231 1.00 0.01 H new ATOM 2091 N THR A 135 -4.695 -11.513 0.743 1.00 0.01 N ATOM 2092 CA THR A 135 -4.378 -10.064 0.984 1.00 0.01 C ATOM 2093 C THR A 135 -5.107 -9.215 -0.066 1.00 0.01 C ATOM 2094 O THR A 135 -5.210 -9.592 -1.218 1.00 0.01 O ATOM 2095 CB THR A 135 -2.859 -9.851 0.859 1.00 1.43 C ATOM 2096 OG1 THR A 135 -2.349 -10.715 -0.144 1.00 1.92 O ATOM 2097 CG2 THR A 135 -2.172 -10.166 2.193 1.00 2.30 C ATOM 0 H THR A 135 -4.282 -11.906 -0.103 1.00 0.01 H new ATOM 0 HA THR A 135 -4.703 -9.770 1.982 1.00 0.01 H new ATOM 0 HB THR A 135 -2.663 -8.812 0.593 1.00 1.43 H new ATOM 0 HG1 THR A 135 -1.382 -10.582 -0.229 1.00 1.92 H new ATOM 0 HG21 THR A 135 -1.097 -10.012 2.094 1.00 2.30 H new ATOM 0 HG22 THR A 135 -2.563 -9.507 2.968 1.00 2.30 H new ATOM 0 HG23 THR A 135 -2.366 -11.203 2.466 1.00 2.30 H new ATOM 2105 N TRP A 136 -5.627 -8.078 0.331 1.00 0.01 N ATOM 2106 CA TRP A 136 -6.376 -7.195 -0.624 1.00 0.01 C ATOM 2107 C TRP A 136 -5.853 -5.753 -0.544 1.00 0.01 C ATOM 2108 O TRP A 136 -5.471 -5.278 0.503 1.00 0.00 O ATOM 2109 CB TRP A 136 -7.865 -7.201 -0.249 1.00 0.01 C ATOM 2110 CG TRP A 136 -8.520 -8.460 -0.728 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -8.574 -9.621 -0.039 1.00 0.01 C ATOM 2112 CD2 TRP A 136 -9.222 -8.697 -1.983 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -9.269 -10.553 -0.787 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -9.687 -10.032 -1.995 1.00 0.01 C ATOM 2115 CE3 TRP A 136 -9.498 -7.891 -3.100 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 -10.402 -10.550 -3.077 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 -10.216 -8.409 -4.190 1.00 0.01 C ATOM 2118 CH2 TRP A 136 -10.667 -9.735 -4.178 1.00 0.01 C ATOM 0 H TRP A 136 -5.565 -7.720 1.284 1.00 0.01 H new ATOM 0 HA TRP A 136 -6.235 -7.572 -1.637 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -7.974 -7.115 0.832 1.00 0.01 H new ATOM 0 HB3 TRP A 136 -8.361 -6.336 -0.689 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -8.144 -9.793 0.937 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -9.451 -11.510 -0.483 1.00 0.00 H new ATOM 0 HE3 TRP A 136 -9.156 -6.867 -3.121 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 -10.747 -11.573 -3.062 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 -10.422 -7.780 -5.044 1.00 0.01 H new ATOM 0 HH2 TRP A 136 -11.219 -10.126 -5.020 1.00 0.01 H new ATOM 2129 N ILE A 137 -5.861 -5.046 -1.650 1.00 0.01 N ATOM 2130 CA ILE A 137 -5.408 -3.614 -1.652 1.00 0.00 C ATOM 2131 C ILE A 137 -6.595 -2.748 -2.080 1.00 0.01 C ATOM 2132 O ILE A 137 -7.321 -3.091 -2.986 1.00 0.01 O ATOM 2133 CB ILE A 137 -4.279 -3.414 -2.670 1.00 0.60 C ATOM 2134 CG1 ILE A 137 -3.138 -4.390 -2.387 1.00 1.32 C ATOM 2135 CG2 ILE A 137 -3.748 -1.977 -2.566 1.00 1.37 C ATOM 2136 CD1 ILE A 137 -2.066 -4.237 -3.472 1.00 1.69 C ATOM 0 H ILE A 137 -6.163 -5.400 -2.557 1.00 0.01 H new ATOM 0 HA ILE A 137 -5.049 -3.343 -0.659 1.00 0.00 H new ATOM 0 HB ILE A 137 -4.668 -3.596 -3.672 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -2.709 -4.193 -1.404 1.00 1.32 H new ATOM 0 HG13 ILE A 137 -3.514 -5.413 -2.371 1.00 1.32 H new ATOM 0 HG21 ILE A 137 -2.945 -1.833 -3.289 1.00 1.37 H new ATOM 0 HG22 ILE A 137 -4.555 -1.275 -2.775 1.00 1.37 H new ATOM 0 HG23 ILE A 137 -3.366 -1.802 -1.560 1.00 1.37 H new ATOM 0 HD11 ILE A 137 -1.248 -4.931 -3.276 1.00 1.69 H new ATOM 0 HD12 ILE A 137 -2.501 -4.455 -4.447 1.00 1.69 H new ATOM 0 HD13 ILE A 137 -1.685 -3.216 -3.465 1.00 1.69 H new ATOM 2148 N PHE A 138 -6.772 -1.605 -1.452 1.00 0.01 N ATOM 2149 CA PHE A 138 -7.890 -0.669 -1.838 1.00 0.01 C ATOM 2150 C PHE A 138 -7.240 0.592 -2.429 1.00 0.01 C ATOM 2151 O PHE A 138 -6.220 1.037 -1.950 1.00 0.00 O ATOM 2152 CB PHE A 138 -8.772 -0.368 -0.581 1.00 1.11 C ATOM 2153 CG PHE A 138 -8.702 1.084 -0.111 1.00 1.11 C ATOM 2154 CD1 PHE A 138 -9.097 2.131 -0.955 1.00 1.54 C ATOM 2155 CD2 PHE A 138 -8.257 1.376 1.186 1.00 1.46 C ATOM 2156 CE1 PHE A 138 -9.039 3.456 -0.509 1.00 2.35 C ATOM 2157 CE2 PHE A 138 -8.203 2.703 1.632 1.00 2.01 C ATOM 2158 CZ PHE A 138 -8.592 3.741 0.783 1.00 2.49 C ATOM 0 H PHE A 138 -6.188 -1.276 -0.683 1.00 0.01 H new ATOM 0 HA PHE A 138 -8.555 -1.103 -2.585 1.00 0.01 H new ATOM 0 HB2 PHE A 138 -9.809 -0.617 -0.808 1.00 1.11 H new ATOM 0 HB3 PHE A 138 -8.459 -1.020 0.235 1.00 1.11 H new ATOM 0 HD1 PHE A 138 -9.447 1.914 -1.953 1.00 1.54 H new ATOM 0 HD2 PHE A 138 -7.955 0.575 1.844 1.00 1.46 H new ATOM 0 HE1 PHE A 138 -9.340 4.259 -1.165 1.00 2.35 H new ATOM 0 HE2 PHE A 138 -7.861 2.923 2.632 1.00 2.01 H new ATOM 0 HZ PHE A 138 -8.547 4.764 1.125 1.00 2.49 H new ATOM 2168 N TYR A 139 -7.829 1.169 -3.457 1.00 0.01 N ATOM 2169 CA TYR A 139 -7.257 2.409 -4.079 1.00 0.01 C ATOM 2170 C TYR A 139 -8.311 3.525 -4.039 1.00 0.01 C ATOM 2171 O TYR A 139 -9.505 3.279 -4.140 1.00 0.01 O ATOM 2172 CB TYR A 139 -6.860 2.132 -5.533 1.00 0.01 C ATOM 2173 CG TYR A 139 -6.054 0.854 -5.606 1.00 0.01 C ATOM 2174 CD1 TYR A 139 -6.690 -0.379 -5.439 1.00 0.01 C ATOM 2175 CD2 TYR A 139 -4.676 0.901 -5.850 1.00 0.01 C ATOM 2176 CE1 TYR A 139 -5.951 -1.567 -5.510 1.00 0.01 C ATOM 2177 CE2 TYR A 139 -3.937 -0.286 -5.922 1.00 0.02 C ATOM 2178 CZ TYR A 139 -4.575 -1.520 -5.752 1.00 0.02 C ATOM 2179 OH TYR A 139 -3.846 -2.691 -5.824 1.00 0.00 O ATOM 0 H TYR A 139 -8.687 0.830 -3.893 1.00 0.01 H new ATOM 0 HA TYR A 139 -6.372 2.716 -3.522 1.00 0.01 H new ATOM 0 HB2 TYR A 139 -7.752 2.047 -6.154 1.00 0.01 H new ATOM 0 HB3 TYR A 139 -6.276 2.965 -5.926 1.00 0.01 H new ATOM 0 HD1 TYR A 139 -7.754 -0.416 -5.255 1.00 0.01 H new ATOM 0 HD2 TYR A 139 -4.183 1.853 -5.983 1.00 0.01 H new ATOM 0 HE1 TYR A 139 -6.444 -2.519 -5.378 1.00 0.01 H new ATOM 0 HE2 TYR A 139 -2.874 -0.249 -6.109 1.00 0.02 H new ATOM 0 HH TYR A 139 -2.905 -2.480 -5.999 1.00 0.00 H new ATOM 2189 N GLU A 140 -7.876 4.745 -3.841 1.00 0.01 N ATOM 2190 CA GLU A 140 -8.830 5.888 -3.716 1.00 0.02 C ATOM 2191 C GLU A 140 -9.445 6.286 -5.063 1.00 0.01 C ATOM 2192 O GLU A 140 -10.561 6.769 -5.095 1.00 0.01 O ATOM 2193 CB GLU A 140 -8.053 7.082 -3.159 1.00 0.01 C ATOM 2194 CG GLU A 140 -9.030 8.202 -2.800 1.00 0.02 C ATOM 2195 CD GLU A 140 -8.270 9.351 -2.137 1.00 0.02 C ATOM 2196 OE1 GLU A 140 -7.074 9.449 -2.360 1.00 0.01 O ATOM 2197 OE2 GLU A 140 -8.895 10.114 -1.417 1.00 0.02 O ATOM 0 H GLU A 140 -6.891 4.999 -3.760 1.00 0.01 H new ATOM 0 HA GLU A 140 -9.647 5.586 -3.061 1.00 0.02 H new ATOM 0 HB2 GLU A 140 -7.487 6.782 -2.277 1.00 0.01 H new ATOM 0 HB3 GLU A 140 -7.332 7.436 -3.896 1.00 0.01 H new ATOM 0 HG2 GLU A 140 -9.537 8.558 -3.697 1.00 0.02 H new ATOM 0 HG3 GLU A 140 -9.800 7.825 -2.127 1.00 0.02 H new ATOM 2204 N LEU A 141 -8.755 6.111 -6.170 1.00 0.01 N ATOM 2205 CA LEU A 141 -9.345 6.513 -7.496 1.00 0.02 C ATOM 2206 C LEU A 141 -9.550 5.253 -8.359 1.00 0.01 C ATOM 2207 O LEU A 141 -8.848 4.270 -8.193 1.00 0.01 O ATOM 2208 CB LEU A 141 -8.364 7.470 -8.202 1.00 0.57 C ATOM 2209 CG LEU A 141 -8.558 8.912 -7.685 1.00 0.81 C ATOM 2210 CD1 LEU A 141 -7.280 9.721 -7.922 1.00 1.48 C ATOM 2211 CD2 LEU A 141 -9.720 9.594 -8.421 1.00 1.24 C ATOM 0 H LEU A 141 -7.818 5.711 -6.215 1.00 0.01 H new ATOM 0 HA LEU A 141 -10.304 7.010 -7.349 1.00 0.02 H new ATOM 0 HB2 LEU A 141 -7.338 7.147 -8.024 1.00 0.57 H new ATOM 0 HB3 LEU A 141 -8.526 7.438 -9.279 1.00 0.57 H new ATOM 0 HG LEU A 141 -8.782 8.869 -6.619 1.00 0.81 H new ATOM 0 HD11 LEU A 141 -7.420 10.738 -7.556 1.00 1.48 H new ATOM 0 HD12 LEU A 141 -6.451 9.255 -7.390 1.00 1.48 H new ATOM 0 HD13 LEU A 141 -7.058 9.747 -8.989 1.00 1.48 H new ATOM 0 HD21 LEU A 141 -9.843 10.609 -8.045 1.00 1.24 H new ATOM 0 HD22 LEU A 141 -9.505 9.627 -9.489 1.00 1.24 H new ATOM 0 HD23 LEU A 141 -10.638 9.031 -8.253 1.00 1.24 H new ATOM 2223 N PRO A 142 -10.497 5.275 -9.286 1.00 0.01 N ATOM 2224 CA PRO A 142 -10.752 4.091 -10.155 1.00 0.01 C ATOM 2225 C PRO A 142 -9.491 3.612 -10.878 1.00 0.01 C ATOM 2226 O PRO A 142 -8.485 4.289 -10.949 1.00 0.01 O ATOM 2227 CB PRO A 142 -11.808 4.617 -11.153 1.00 0.01 C ATOM 2228 CG PRO A 142 -12.041 6.113 -10.872 1.00 0.02 C ATOM 2229 CD PRO A 142 -11.369 6.461 -9.534 1.00 0.01 C ATOM 0 HA PRO A 142 -11.082 3.221 -9.588 1.00 0.01 H new ATOM 0 HB2 PRO A 142 -11.466 4.473 -12.178 1.00 0.01 H new ATOM 0 HB3 PRO A 142 -12.740 4.062 -11.047 1.00 0.01 H new ATOM 0 HG2 PRO A 142 -11.624 6.720 -11.676 1.00 0.02 H new ATOM 0 HG3 PRO A 142 -13.108 6.330 -10.829 1.00 0.02 H new ATOM 0 HD2 PRO A 142 -10.790 7.382 -9.599 1.00 0.01 H new ATOM 0 HD3 PRO A 142 -12.100 6.599 -8.738 1.00 0.01 H new ATOM 2237 N ASN A 143 -9.581 2.436 -11.431 1.00 0.01 N ATOM 2238 CA ASN A 143 -8.445 1.850 -12.191 1.00 0.01 C ATOM 2239 C ASN A 143 -7.206 1.706 -11.306 1.00 0.01 C ATOM 2240 O ASN A 143 -6.084 1.750 -11.771 1.00 0.01 O ATOM 2241 CB ASN A 143 -8.116 2.757 -13.379 1.00 0.23 C ATOM 2242 CG ASN A 143 -7.245 1.998 -14.381 1.00 0.11 C ATOM 2243 OD1 ASN A 143 -6.036 2.130 -14.377 1.00 0.75 O ATOM 2244 ND2 ASN A 143 -7.810 1.201 -15.247 1.00 0.56 N ATOM 0 H ASN A 143 -10.411 1.845 -11.387 1.00 0.01 H new ATOM 0 HA ASN A 143 -8.735 0.859 -12.539 1.00 0.01 H new ATOM 0 HB2 ASN A 143 -9.036 3.090 -13.861 1.00 0.23 H new ATOM 0 HB3 ASN A 143 -7.596 3.650 -13.034 1.00 0.23 H new ATOM 0 HD21 ASN A 143 -7.238 0.690 -15.919 1.00 0.56 H new ATOM 0 HD22 ASN A 143 -8.824 1.089 -15.252 1.00 0.56 H new ATOM 2251 N TYR A 144 -7.408 1.490 -10.033 1.00 0.01 N ATOM 2252 CA TYR A 144 -6.264 1.289 -9.099 1.00 0.02 C ATOM 2253 C TYR A 144 -5.320 2.498 -9.107 1.00 0.01 C ATOM 2254 O TYR A 144 -4.128 2.357 -9.284 1.00 0.01 O ATOM 2255 CB TYR A 144 -5.500 0.023 -9.519 1.00 0.01 C ATOM 2256 CG TYR A 144 -6.479 -0.973 -10.107 1.00 0.01 C ATOM 2257 CD1 TYR A 144 -7.593 -1.377 -9.359 1.00 0.01 C ATOM 2258 CD2 TYR A 144 -6.281 -1.481 -11.398 1.00 0.01 C ATOM 2259 CE1 TYR A 144 -8.507 -2.291 -9.900 1.00 0.01 C ATOM 2260 CE2 TYR A 144 -7.198 -2.393 -11.938 1.00 0.01 C ATOM 2261 CZ TYR A 144 -8.310 -2.798 -11.190 1.00 0.01 C ATOM 2262 OH TYR A 144 -9.209 -3.696 -11.722 1.00 0.01 O ATOM 0 H TYR A 144 -8.329 1.444 -9.597 1.00 0.01 H new ATOM 0 HA TYR A 144 -6.650 1.178 -8.086 1.00 0.02 H new ATOM 0 HB2 TYR A 144 -4.732 0.273 -10.251 1.00 0.01 H new ATOM 0 HB3 TYR A 144 -4.991 -0.412 -8.659 1.00 0.01 H new ATOM 0 HD1 TYR A 144 -7.747 -0.984 -8.365 1.00 0.01 H new ATOM 0 HD2 TYR A 144 -5.423 -1.170 -11.976 1.00 0.01 H new ATOM 0 HE1 TYR A 144 -9.364 -2.604 -9.322 1.00 0.01 H new ATOM 0 HE2 TYR A 144 -7.047 -2.784 -12.933 1.00 0.01 H new ATOM 0 HH TYR A 144 -8.925 -3.947 -12.626 1.00 0.01 H new ATOM 2272 N ARG A 145 -5.850 3.684 -8.912 1.00 0.02 N ATOM 2273 CA ARG A 145 -4.987 4.915 -8.903 1.00 0.01 C ATOM 2274 C ARG A 145 -5.209 5.699 -7.608 1.00 0.01 C ATOM 2275 O ARG A 145 -6.164 5.473 -6.893 1.00 0.01 O ATOM 2276 CB ARG A 145 -5.362 5.805 -10.090 1.00 0.01 C ATOM 2277 CG ARG A 145 -5.044 5.078 -11.400 1.00 0.02 C ATOM 2278 CD ARG A 145 -5.289 6.019 -12.580 1.00 0.01 C ATOM 2279 NE ARG A 145 -6.569 6.751 -12.372 1.00 0.01 N ATOM 2280 CZ ARG A 145 -6.835 7.815 -13.081 1.00 0.01 C ATOM 2281 NH1 ARG A 145 -5.974 8.242 -13.963 1.00 0.02 N ATOM 2282 NH2 ARG A 145 -7.959 8.453 -12.903 1.00 0.01 N ATOM 0 H ARG A 145 -6.844 3.855 -8.758 1.00 0.02 H new ATOM 0 HA ARG A 145 -3.941 4.616 -8.973 1.00 0.01 H new ATOM 0 HB2 ARG A 145 -6.422 6.055 -10.049 1.00 0.01 H new ATOM 0 HB3 ARG A 145 -4.811 6.744 -10.041 1.00 0.01 H new ATOM 0 HG2 ARG A 145 -4.007 4.742 -11.399 1.00 0.02 H new ATOM 0 HG3 ARG A 145 -5.667 4.189 -11.495 1.00 0.02 H new ATOM 0 HD2 ARG A 145 -4.464 6.726 -12.673 1.00 0.01 H new ATOM 0 HD3 ARG A 145 -5.329 5.451 -13.510 1.00 0.01 H new ATOM 0 HE ARG A 145 -7.238 6.421 -11.676 1.00 0.01 H new ATOM 0 HH11 ARG A 145 -5.094 7.745 -14.099 1.00 0.02 H new ATOM 0 HH12 ARG A 145 -6.181 9.073 -14.517 1.00 0.02 H new ATOM 0 HH21 ARG A 145 -8.630 8.121 -12.210 1.00 0.01 H new ATOM 0 HH22 ARG A 145 -8.167 9.284 -13.457 1.00 0.01 H new ATOM 2296 N GLY A 146 -4.319 6.609 -7.286 1.00 0.01 N ATOM 2297 CA GLY A 146 -4.466 7.403 -6.027 1.00 0.02 C ATOM 2298 C GLY A 146 -3.768 6.685 -4.868 1.00 0.01 C ATOM 2299 O GLY A 146 -2.986 5.775 -5.064 1.00 0.02 O ATOM 0 H GLY A 146 -3.495 6.835 -7.844 1.00 0.01 H new ATOM 0 HA2 GLY A 146 -4.037 8.396 -6.162 1.00 0.02 H new ATOM 0 HA3 GLY A 146 -5.522 7.541 -5.796 1.00 0.02 H new ATOM 2303 N ARG A 147 -4.049 7.095 -3.663 1.00 0.01 N ATOM 2304 CA ARG A 147 -3.409 6.447 -2.480 1.00 0.01 C ATOM 2305 C ARG A 147 -3.936 5.021 -2.351 1.00 0.01 C ATOM 2306 O ARG A 147 -5.090 4.734 -2.612 1.00 0.01 O ATOM 2307 CB ARG A 147 -3.762 7.243 -1.221 1.00 0.01 C ATOM 2308 CG ARG A 147 -3.232 6.510 0.013 1.00 0.01 C ATOM 2309 CD ARG A 147 -3.300 7.440 1.226 1.00 0.01 C ATOM 2310 NE ARG A 147 -2.746 6.740 2.418 1.00 0.02 N ATOM 2311 CZ ARG A 147 -2.432 7.420 3.484 1.00 0.02 C ATOM 2312 NH1 ARG A 147 -2.605 8.714 3.509 1.00 0.01 N ATOM 2313 NH2 ARG A 147 -1.945 6.810 4.529 1.00 0.02 N ATOM 0 H ARG A 147 -4.696 7.853 -3.444 1.00 0.01 H new ATOM 0 HA ARG A 147 -2.326 6.426 -2.604 1.00 0.01 H new ATOM 0 HB2 ARG A 147 -3.330 8.242 -1.277 1.00 0.01 H new ATOM 0 HB3 ARG A 147 -4.842 7.367 -1.147 1.00 0.01 H new ATOM 0 HG2 ARG A 147 -3.821 5.611 0.197 1.00 0.01 H new ATOM 0 HG3 ARG A 147 -2.204 6.188 -0.155 1.00 0.01 H new ATOM 0 HD2 ARG A 147 -2.735 8.352 1.031 1.00 0.01 H new ATOM 0 HD3 ARG A 147 -4.332 7.738 1.412 1.00 0.01 H new ATOM 0 HE ARG A 147 -2.612 5.729 2.400 1.00 0.02 H new ATOM 0 HH11 ARG A 147 -2.986 9.193 2.693 1.00 0.01 H new ATOM 0 HH12 ARG A 147 -2.359 9.245 4.344 1.00 0.01 H new ATOM 0 HH21 ARG A 147 -1.809 5.799 4.512 1.00 0.02 H new ATOM 0 HH22 ARG A 147 -1.700 7.344 5.363 1.00 0.02 H new ATOM 2327 N GLN A 148 -3.061 4.114 -1.979 1.00 0.01 N ATOM 2328 CA GLN A 148 -3.434 2.671 -1.855 1.00 0.01 C ATOM 2329 C GLN A 148 -3.248 2.211 -0.398 1.00 0.01 C ATOM 2330 O GLN A 148 -2.394 2.707 0.311 1.00 0.01 O ATOM 2331 CB GLN A 148 -2.487 1.866 -2.763 1.00 0.00 C ATOM 2332 CG GLN A 148 -2.164 2.682 -4.021 1.00 0.02 C ATOM 2333 CD GLN A 148 -1.565 1.764 -5.091 1.00 0.02 C ATOM 2334 OE1 GLN A 148 -1.662 2.041 -6.270 1.00 0.02 O ATOM 2335 NE2 GLN A 148 -0.944 0.674 -4.725 1.00 0.01 N ATOM 0 H GLN A 148 -2.088 4.319 -1.753 1.00 0.01 H new ATOM 0 HA GLN A 148 -4.474 2.520 -2.144 1.00 0.01 H new ATOM 0 HB2 GLN A 148 -1.569 1.627 -2.227 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -2.950 0.919 -3.040 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -3.069 3.157 -4.400 1.00 0.02 H new ATOM 0 HG3 GLN A 148 -1.462 3.480 -3.778 1.00 0.02 H new ATOM 0 HE21 GLN A 148 -0.862 0.441 -3.735 1.00 0.01 H new ATOM 0 HE22 GLN A 148 -0.541 0.056 -5.429 1.00 0.01 H new ATOM 2344 N TYR A 149 -4.037 1.259 0.036 1.00 0.01 N ATOM 2345 CA TYR A 149 -3.920 0.734 1.439 1.00 0.01 C ATOM 2346 C TYR A 149 -3.788 -0.801 1.397 1.00 0.01 C ATOM 2347 O TYR A 149 -4.430 -1.459 0.598 1.00 0.01 O ATOM 2348 CB TYR A 149 -5.174 1.142 2.245 1.00 0.01 C ATOM 2349 CG TYR A 149 -4.779 1.793 3.559 1.00 0.01 C ATOM 2350 CD1 TYR A 149 -4.400 3.139 3.585 1.00 0.01 C ATOM 2351 CD2 TYR A 149 -4.794 1.045 4.742 1.00 0.01 C ATOM 2352 CE1 TYR A 149 -4.036 3.740 4.797 1.00 0.01 C ATOM 2353 CE2 TYR A 149 -4.429 1.645 5.954 1.00 0.01 C ATOM 2354 CZ TYR A 149 -4.050 2.994 5.981 1.00 0.01 C ATOM 2355 OH TYR A 149 -3.692 3.586 7.175 1.00 0.01 O ATOM 0 H TYR A 149 -4.765 0.817 -0.525 1.00 0.01 H new ATOM 0 HA TYR A 149 -3.038 1.154 1.922 1.00 0.01 H new ATOM 0 HB2 TYR A 149 -5.780 1.833 1.659 1.00 0.01 H new ATOM 0 HB3 TYR A 149 -5.789 0.264 2.439 1.00 0.01 H new ATOM 0 HD1 TYR A 149 -4.388 3.715 2.671 1.00 0.01 H new ATOM 0 HD2 TYR A 149 -5.087 0.006 4.720 1.00 0.01 H new ATOM 0 HE1 TYR A 149 -3.744 4.780 4.818 1.00 0.01 H new ATOM 0 HE2 TYR A 149 -4.440 1.068 6.867 1.00 0.01 H new ATOM 0 HH TYR A 149 -3.758 2.928 7.899 1.00 0.01 H new ATOM 2365 N LEU A 150 -2.960 -1.368 2.240 1.00 0.01 N ATOM 2366 CA LEU A 150 -2.779 -2.855 2.243 1.00 0.01 C ATOM 2367 C LEU A 150 -3.700 -3.473 3.303 1.00 0.01 C ATOM 2368 O LEU A 150 -3.615 -3.154 4.472 1.00 0.01 O ATOM 2369 CB LEU A 150 -1.313 -3.154 2.588 1.00 0.01 C ATOM 2370 CG LEU A 150 -0.964 -4.625 2.239 1.00 0.01 C ATOM 2371 CD1 LEU A 150 -0.305 -4.696 0.856 1.00 0.01 C ATOM 2372 CD2 LEU A 150 0.007 -5.199 3.279 1.00 0.01 C ATOM 0 H LEU A 150 -2.400 -0.865 2.928 1.00 0.01 H new ATOM 0 HA LEU A 150 -3.028 -3.276 1.269 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -0.658 -2.478 2.038 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -1.138 -2.974 3.649 1.00 0.01 H new ATOM 0 HG LEU A 150 -1.886 -5.206 2.238 1.00 0.01 H new ATOM 0 HD11 LEU A 150 -0.064 -5.733 0.621 1.00 0.01 H new ATOM 0 HD12 LEU A 150 -0.991 -4.304 0.105 1.00 0.01 H new ATOM 0 HD13 LEU A 150 0.609 -4.102 0.858 1.00 0.01 H new ATOM 0 HD21 LEU A 150 0.245 -6.232 3.024 1.00 0.01 H new ATOM 0 HD22 LEU A 150 0.922 -4.607 3.288 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -0.455 -5.166 4.266 1.00 0.01 H new ATOM 2384 N LEU A 151 -4.579 -4.366 2.898 1.00 0.01 N ATOM 2385 CA LEU A 151 -5.514 -5.026 3.869 1.00 0.01 C ATOM 2386 C LEU A 151 -5.047 -6.463 4.141 1.00 0.01 C ATOM 2387 O LEU A 151 -5.083 -7.304 3.266 1.00 0.01 O ATOM 2388 CB LEU A 151 -6.946 -5.057 3.288 1.00 0.01 C ATOM 2389 CG LEU A 151 -7.242 -3.793 2.457 1.00 0.01 C ATOM 2390 CD1 LEU A 151 -8.577 -3.969 1.720 1.00 0.01 C ATOM 2391 CD2 LEU A 151 -7.333 -2.567 3.372 1.00 0.01 C ATOM 0 H LEU A 151 -4.688 -4.667 1.929 1.00 0.01 H new ATOM 0 HA LEU A 151 -5.515 -4.458 4.799 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -7.068 -5.942 2.663 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -7.668 -5.138 4.100 1.00 0.01 H new ATOM 0 HG LEU A 151 -6.435 -3.646 1.739 1.00 0.01 H new ATOM 0 HD11 LEU A 151 -8.788 -3.076 1.132 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -8.516 -4.833 1.059 1.00 0.01 H new ATOM 0 HD13 LEU A 151 -9.376 -4.123 2.446 1.00 0.01 H new ATOM 0 HD21 LEU A 151 -7.542 -1.681 2.773 1.00 0.01 H new ATOM 0 HD22 LEU A 151 -8.134 -2.713 4.097 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -6.387 -2.434 3.898 1.00 0.01 H new ATOM 2403 N ASP A 152 -4.631 -6.751 5.349 1.00 0.01 N ATOM 2404 CA ASP A 152 -4.178 -8.140 5.698 1.00 0.01 C ATOM 2405 C ASP A 152 -5.157 -8.735 6.713 1.00 0.00 C ATOM 2406 O ASP A 152 -4.988 -8.583 7.908 1.00 0.01 O ATOM 2407 CB ASP A 152 -2.779 -8.074 6.318 1.00 1.04 C ATOM 2408 CG ASP A 152 -1.853 -7.267 5.407 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -2.310 -6.846 4.356 1.00 2.27 O ATOM 2410 OD2 ASP A 152 -0.704 -7.081 5.774 1.00 1.57 O ATOM 0 H ASP A 152 -4.584 -6.081 6.116 1.00 0.01 H new ATOM 0 HA ASP A 152 -4.148 -8.761 4.802 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -2.828 -7.612 7.304 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -2.383 -9.080 6.456 1.00 1.04 H new ATOM 2415 N LYS A 153 -6.191 -9.397 6.257 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.181 -9.977 7.214 1.00 0.01 C ATOM 2417 C LYS A 153 -7.579 -8.889 8.209 1.00 0.01 C ATOM 2418 O LYS A 153 -7.073 -8.831 9.312 1.00 0.01 O ATOM 2419 CB LYS A 153 -6.548 -11.156 7.959 1.00 0.38 C ATOM 2420 CG LYS A 153 -7.539 -11.710 8.989 1.00 0.71 C ATOM 2421 CD LYS A 153 -7.101 -13.112 9.418 1.00 0.72 C ATOM 2422 CE LYS A 153 -7.914 -13.551 10.636 1.00 1.09 C ATOM 2423 NZ LYS A 153 -9.368 -13.395 10.348 1.00 1.84 N ATOM 0 H LYS A 153 -6.391 -9.560 5.270 1.00 0.01 H new ATOM 0 HA LYS A 153 -8.060 -10.334 6.678 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -6.269 -11.937 7.252 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -5.633 -10.835 8.457 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -7.585 -11.051 9.856 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -8.541 -11.746 8.562 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -7.245 -13.816 8.598 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -6.038 -13.115 9.657 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -7.691 -14.590 10.880 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -7.639 -12.953 11.505 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -9.907 -13.462 11.235 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -9.537 -12.467 9.910 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -9.676 -14.146 9.698 1.00 1.84 H new ATOM 2437 N LYS A 154 -8.453 -7.995 7.808 1.00 0.00 N ATOM 2438 CA LYS A 154 -8.859 -6.867 8.715 1.00 0.01 C ATOM 2439 C LYS A 154 -10.381 -6.708 8.783 1.00 0.01 C ATOM 2440 O LYS A 154 -11.084 -6.853 7.800 1.00 0.00 O ATOM 2441 CB LYS A 154 -8.249 -5.565 8.185 1.00 0.39 C ATOM 2442 CG LYS A 154 -6.718 -5.583 8.351 1.00 0.48 C ATOM 2443 CD LYS A 154 -6.327 -5.115 9.760 1.00 0.97 C ATOM 2444 CE LYS A 154 -4.805 -4.992 9.846 1.00 1.44 C ATOM 2445 NZ LYS A 154 -4.184 -6.320 9.581 1.00 2.28 N ATOM 0 H LYS A 154 -8.904 -7.996 6.893 1.00 0.00 H new ATOM 0 HA LYS A 154 -8.498 -7.092 9.719 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -8.506 -5.437 7.133 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -8.669 -4.714 8.721 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -6.339 -6.590 8.177 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -6.257 -4.936 7.605 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -6.794 -4.155 9.980 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -6.689 -5.824 10.505 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -4.447 -4.260 9.122 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -4.514 -4.633 10.833 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -3.180 -6.294 9.852 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -4.674 -7.050 10.137 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -4.264 -6.545 8.569 1.00 2.28 H new ATOM 2459 N GLU A 155 -10.877 -6.348 9.942 1.00 0.01 N ATOM 2460 CA GLU A 155 -12.340 -6.099 10.123 1.00 0.01 C ATOM 2461 C GLU A 155 -12.517 -4.604 10.403 1.00 0.01 C ATOM 2462 O GLU A 155 -12.287 -4.144 11.504 1.00 0.01 O ATOM 2463 CB GLU A 155 -12.860 -6.910 11.312 1.00 0.01 C ATOM 2464 CG GLU A 155 -12.391 -8.362 11.185 1.00 0.01 C ATOM 2465 CD GLU A 155 -12.920 -9.175 12.367 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -13.808 -8.687 13.048 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -12.428 -10.275 12.571 1.00 0.01 O ATOM 0 H GLU A 155 -10.318 -6.214 10.785 1.00 0.01 H new ATOM 0 HA GLU A 155 -12.895 -6.396 9.233 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -12.497 -6.480 12.246 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -13.949 -6.870 11.345 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -12.747 -8.789 10.248 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -11.302 -8.403 11.161 1.00 0.01 H new ATOM 2474 N TYR A 156 -12.887 -3.833 9.412 1.00 0.00 N ATOM 2475 CA TYR A 156 -13.035 -2.359 9.618 1.00 0.01 C ATOM 2476 C TYR A 156 -14.497 -1.988 9.862 1.00 0.01 C ATOM 2477 O TYR A 156 -15.341 -2.202 9.012 1.00 0.01 O ATOM 2478 CB TYR A 156 -12.514 -1.636 8.372 1.00 0.01 C ATOM 2479 CG TYR A 156 -11.019 -1.832 8.253 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -10.163 -1.280 9.214 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -10.486 -2.562 7.181 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -8.779 -1.456 9.105 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -9.101 -2.738 7.073 1.00 0.01 C ATOM 2484 CZ TYR A 156 -8.248 -2.185 8.033 1.00 0.01 C ATOM 2485 OH TYR A 156 -6.883 -2.358 7.929 1.00 0.01 O ATOM 0 H TYR A 156 -13.093 -4.160 8.468 1.00 0.00 H new ATOM 0 HA TYR A 156 -12.461 -2.059 10.495 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -13.012 -2.021 7.482 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -12.747 -0.573 8.433 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -10.572 -0.718 10.041 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -11.144 -2.989 6.438 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -8.120 -1.030 9.847 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -8.691 -3.301 6.248 1.00 0.01 H new ATOM 0 HH TYR A 156 -6.458 -2.128 8.782 1.00 0.01 H new ATOM 2495 N ARG A 157 -14.812 -1.467 11.021 1.00 0.01 N ATOM 2496 CA ARG A 157 -16.233 -1.118 11.329 1.00 0.01 C ATOM 2497 C ARG A 157 -16.490 0.370 11.086 1.00 0.00 C ATOM 2498 O ARG A 157 -17.598 0.763 10.787 1.00 0.01 O ATOM 2499 CB ARG A 157 -16.521 -1.443 12.796 1.00 0.01 C ATOM 2500 CG ARG A 157 -15.403 -0.882 13.675 1.00 0.01 C ATOM 2501 CD ARG A 157 -15.848 -0.890 15.138 1.00 0.00 C ATOM 2502 NE ARG A 157 -14.695 -0.538 16.013 1.00 0.01 N ATOM 2503 CZ ARG A 157 -14.902 -0.194 17.255 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -16.117 -0.157 17.729 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -13.893 0.115 18.023 1.00 0.01 N ATOM 0 H ARG A 157 -14.146 -1.268 11.768 1.00 0.01 H new ATOM 0 HA ARG A 157 -16.886 -1.697 10.676 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -17.479 -1.016 13.092 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -16.597 -2.522 12.932 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -14.499 -1.479 13.556 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -15.157 0.134 13.365 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -16.660 -0.178 15.285 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -16.234 -1.874 15.406 1.00 0.00 H new ATOM 0 HE ARG A 157 -13.745 -0.566 15.642 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -16.906 -0.397 17.129 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -16.278 0.112 18.700 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -12.943 0.088 17.653 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -14.054 0.384 18.994 1.00 0.01 H new ATOM 2519 N LYS A 158 -15.480 1.197 11.202 1.00 0.01 N ATOM 2520 CA LYS A 158 -15.661 2.669 10.966 1.00 0.01 C ATOM 2521 C LYS A 158 -14.639 3.124 9.911 1.00 0.01 C ATOM 2522 O LYS A 158 -13.575 2.550 9.809 1.00 0.01 O ATOM 2523 CB LYS A 158 -15.413 3.420 12.284 1.00 0.58 C ATOM 2524 CG LYS A 158 -16.658 3.334 13.187 1.00 0.97 C ATOM 2525 CD LYS A 158 -17.650 4.449 12.833 1.00 1.44 C ATOM 2526 CE LYS A 158 -18.825 4.416 13.816 1.00 2.13 C ATOM 2527 NZ LYS A 158 -19.924 5.280 13.300 1.00 2.54 N ATOM 0 H LYS A 158 -14.531 0.917 11.451 1.00 0.01 H new ATOM 0 HA LYS A 158 -16.672 2.878 10.615 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -14.552 2.993 12.798 1.00 0.58 H new ATOM 0 HB3 LYS A 158 -15.176 4.464 12.077 1.00 0.58 H new ATOM 0 HG2 LYS A 158 -17.136 2.362 13.068 1.00 0.97 H new ATOM 0 HG3 LYS A 158 -16.364 3.418 14.233 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -17.154 5.419 12.874 1.00 1.44 H new ATOM 0 HD3 LYS A 158 -18.011 4.319 11.813 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -19.180 3.393 13.942 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -18.503 4.765 14.797 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 -20.723 5.260 13.965 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 -19.581 6.257 13.201 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -20.236 4.928 12.373 1.00 2.54 H new ATOM 2541 N PRO A 159 -14.917 4.160 9.150 1.00 0.01 N ATOM 2542 CA PRO A 159 -13.929 4.632 8.141 1.00 0.02 C ATOM 2543 C PRO A 159 -12.595 4.991 8.808 1.00 0.01 C ATOM 2544 O PRO A 159 -11.543 4.597 8.344 1.00 0.01 O ATOM 2545 CB PRO A 159 -14.625 5.864 7.530 1.00 0.41 C ATOM 2546 CG PRO A 159 -15.917 6.136 8.328 1.00 0.70 C ATOM 2547 CD PRO A 159 -16.196 4.920 9.228 1.00 0.28 C ATOM 0 HA PRO A 159 -13.672 3.883 7.392 1.00 0.02 H new ATOM 0 HB2 PRO A 159 -13.965 6.731 7.569 1.00 0.41 H new ATOM 0 HB3 PRO A 159 -14.857 5.687 6.480 1.00 0.41 H new ATOM 0 HG2 PRO A 159 -15.808 7.037 8.931 1.00 0.70 H new ATOM 0 HG3 PRO A 159 -16.753 6.306 7.650 1.00 0.70 H new ATOM 0 HD2 PRO A 159 -16.430 5.217 10.250 1.00 0.28 H new ATOM 0 HD3 PRO A 159 -17.040 4.332 8.866 1.00 0.28 H new ATOM 2555 N VAL A 160 -12.616 5.735 9.875 1.00 0.01 N ATOM 2556 CA VAL A 160 -11.335 6.103 10.532 1.00 0.02 C ATOM 2557 C VAL A 160 -10.611 4.833 10.983 1.00 0.02 C ATOM 2558 O VAL A 160 -9.407 4.826 11.138 1.00 0.02 O ATOM 2559 CB VAL A 160 -11.625 6.987 11.749 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -10.307 7.437 12.378 1.00 0.86 C ATOM 2561 CG2 VAL A 160 -12.421 8.216 11.303 1.00 0.74 C ATOM 0 H VAL A 160 -13.458 6.102 10.318 1.00 0.01 H new ATOM 0 HA VAL A 160 -10.706 6.648 9.828 1.00 0.02 H new ATOM 0 HB VAL A 160 -12.202 6.422 12.481 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -10.513 8.066 13.244 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -9.737 6.563 12.692 1.00 0.86 H new ATOM 0 HG13 VAL A 160 -9.730 8.004 11.647 1.00 0.86 H new ATOM 0 HG21 VAL A 160 -12.629 8.848 12.167 1.00 0.74 H new ATOM 0 HG22 VAL A 160 -11.841 8.780 10.573 1.00 0.74 H new ATOM 0 HG23 VAL A 160 -13.361 7.897 10.852 1.00 0.74 H new ATOM 2571 N ASP A 161 -11.318 3.753 11.188 1.00 0.00 N ATOM 2572 CA ASP A 161 -10.624 2.506 11.616 1.00 0.01 C ATOM 2573 C ASP A 161 -9.726 2.005 10.480 1.00 0.01 C ATOM 2574 O ASP A 161 -8.851 1.185 10.673 1.00 0.01 O ATOM 2575 CB ASP A 161 -11.654 1.425 11.959 1.00 0.00 C ATOM 2576 CG ASP A 161 -10.972 0.291 12.727 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -9.957 -0.192 12.253 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -11.478 -0.076 13.774 1.00 0.00 O ATOM 0 H ASP A 161 -12.330 3.681 11.080 1.00 0.00 H new ATOM 0 HA ASP A 161 -10.019 2.720 12.497 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -12.458 1.852 12.559 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -12.108 1.038 11.047 1.00 0.00 H new ATOM 2583 N TRP A 162 -9.951 2.502 9.290 1.00 0.01 N ATOM 2584 CA TRP A 162 -9.139 2.083 8.111 1.00 0.01 C ATOM 2585 C TRP A 162 -8.000 3.094 7.919 1.00 0.01 C ATOM 2586 O TRP A 162 -7.270 3.039 6.950 1.00 0.01 O ATOM 2587 CB TRP A 162 -10.054 2.123 6.872 1.00 0.01 C ATOM 2588 CG TRP A 162 -9.622 1.166 5.812 1.00 0.02 C ATOM 2589 CD1 TRP A 162 -8.389 0.626 5.667 1.00 0.01 C ATOM 2590 CD2 TRP A 162 -10.429 0.642 4.723 1.00 0.01 C ATOM 2591 NE1 TRP A 162 -8.393 -0.197 4.557 1.00 0.01 N ATOM 2592 CE2 TRP A 162 -9.632 -0.221 3.942 1.00 0.01 C ATOM 2593 CE3 TRP A 162 -11.770 0.834 4.347 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 -10.151 -0.873 2.821 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 -12.295 0.181 3.222 1.00 0.01 C ATOM 2596 CH2 TRP A 162 -11.486 -0.671 2.460 1.00 0.01 C ATOM 0 H TRP A 162 -10.675 3.191 9.084 1.00 0.01 H new ATOM 0 HA TRP A 162 -8.729 1.083 8.255 1.00 0.01 H new ATOM 0 HB2 TRP A 162 -11.076 1.891 7.171 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -10.063 3.133 6.463 1.00 0.01 H new ATOM 0 HD1 TRP A 162 -7.542 0.808 6.312 1.00 0.01 H new ATOM 0 HE1 TRP A 162 -7.582 -0.722 4.231 1.00 0.01 H new ATOM 0 HE3 TRP A 162 -12.401 1.489 4.929 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 -9.524 -1.530 2.236 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 -13.327 0.336 2.943 1.00 0.01 H new ATOM 0 HH2 TRP A 162 -11.893 -1.172 1.594 1.00 0.01 H new ATOM 2607 N GLY A 163 -7.823 3.999 8.834 1.00 0.02 N ATOM 2608 CA GLY A 163 -6.711 4.980 8.694 1.00 0.01 C ATOM 2609 C GLY A 163 -7.078 6.037 7.655 1.00 0.01 C ATOM 2610 O GLY A 163 -6.261 6.836 7.243 1.00 0.01 O ATOM 0 H GLY A 163 -8.396 4.104 9.671 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -6.511 5.456 9.654 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -5.797 4.467 8.396 1.00 0.01 H new ATOM 2614 N ALA A 164 -8.305 6.019 7.204 1.00 0.01 N ATOM 2615 CA ALA A 164 -8.750 6.989 6.160 1.00 0.02 C ATOM 2616 C ALA A 164 -9.502 8.147 6.809 1.00 0.01 C ATOM 2617 O ALA A 164 -10.245 7.976 7.754 1.00 0.02 O ATOM 2618 CB ALA A 164 -9.709 6.276 5.208 1.00 0.01 C ATOM 0 H ALA A 164 -9.024 5.367 7.517 1.00 0.01 H new ATOM 0 HA ALA A 164 -7.877 7.368 5.628 1.00 0.02 H new ATOM 0 HB1 ALA A 164 -10.043 6.972 4.439 1.00 0.01 H new ATOM 0 HB2 ALA A 164 -9.198 5.435 4.739 1.00 0.01 H new ATOM 0 HB3 ALA A 164 -10.571 5.911 5.766 1.00 0.01 H new ATOM 2624 N ALA A 165 -9.312 9.327 6.292 1.00 0.02 N ATOM 2625 CA ALA A 165 -10.007 10.518 6.849 1.00 0.01 C ATOM 2626 C ALA A 165 -11.406 10.629 6.239 1.00 0.02 C ATOM 2627 O ALA A 165 -12.217 11.417 6.682 1.00 0.01 O ATOM 2628 CB ALA A 165 -9.216 11.784 6.514 1.00 0.59 C ATOM 0 H ALA A 165 -8.699 9.519 5.500 1.00 0.02 H new ATOM 0 HA ALA A 165 -10.083 10.410 7.931 1.00 0.01 H new ATOM 0 HB1 ALA A 165 -9.730 12.653 6.924 1.00 0.59 H new ATOM 0 HB2 ALA A 165 -8.218 11.715 6.947 1.00 0.59 H new ATOM 0 HB3 ALA A 165 -9.136 11.887 5.432 1.00 0.59 H new ATOM 2634 N SER A 166 -11.716 9.834 5.240 1.00 0.01 N ATOM 2635 CA SER A 166 -13.074 9.877 4.623 1.00 0.01 C ATOM 2636 C SER A 166 -13.441 8.446 4.169 1.00 0.02 C ATOM 2637 O SER A 166 -12.564 7.670 3.843 1.00 0.01 O ATOM 2638 CB SER A 166 -13.049 10.810 3.410 1.00 0.72 C ATOM 2639 OG SER A 166 -14.052 10.409 2.486 1.00 0.87 O ATOM 0 H SER A 166 -11.079 9.154 4.826 1.00 0.01 H new ATOM 0 HA SER A 166 -13.808 10.245 5.340 1.00 0.01 H new ATOM 0 HB2 SER A 166 -13.220 11.839 3.725 1.00 0.72 H new ATOM 0 HB3 SER A 166 -12.068 10.781 2.935 1.00 0.72 H new ATOM 0 HG SER A 166 -14.039 11.006 1.709 1.00 0.87 H new ATOM 2645 N PRO A 167 -14.708 8.082 4.128 1.00 0.02 N ATOM 2646 CA PRO A 167 -15.096 6.706 3.680 1.00 0.01 C ATOM 2647 C PRO A 167 -14.984 6.534 2.155 1.00 0.01 C ATOM 2648 O PRO A 167 -15.683 5.732 1.565 1.00 0.01 O ATOM 2649 CB PRO A 167 -16.569 6.644 4.118 1.00 0.38 C ATOM 2650 CG PRO A 167 -17.066 8.089 4.251 1.00 0.35 C ATOM 2651 CD PRO A 167 -15.840 8.977 4.519 1.00 0.22 C ATOM 0 HA PRO A 167 -14.458 5.925 4.095 1.00 0.01 H new ATOM 0 HB2 PRO A 167 -17.165 6.098 3.386 1.00 0.38 H new ATOM 0 HB3 PRO A 167 -16.666 6.115 5.066 1.00 0.38 H new ATOM 0 HG2 PRO A 167 -17.576 8.404 3.341 1.00 0.35 H new ATOM 0 HG3 PRO A 167 -17.786 8.173 5.065 1.00 0.35 H new ATOM 0 HD2 PRO A 167 -15.861 9.890 3.924 1.00 0.22 H new ATOM 0 HD3 PRO A 167 -15.777 9.279 5.564 1.00 0.22 H new ATOM 2659 N ALA A 168 -14.156 7.309 1.504 1.00 0.01 N ATOM 2660 CA ALA A 168 -14.065 7.201 0.016 1.00 0.01 C ATOM 2661 C ALA A 168 -13.093 6.099 -0.444 1.00 0.01 C ATOM 2662 O ALA A 168 -11.918 6.100 -0.138 1.00 0.02 O ATOM 2663 CB ALA A 168 -13.587 8.540 -0.547 1.00 0.18 C ATOM 0 H ALA A 168 -13.545 8.005 1.932 1.00 0.01 H new ATOM 0 HA ALA A 168 -15.057 6.940 -0.353 1.00 0.01 H new ATOM 0 HB1 ALA A 168 -13.517 8.474 -1.633 1.00 0.18 H new ATOM 0 HB2 ALA A 168 -14.296 9.322 -0.276 1.00 0.18 H new ATOM 0 HB3 ALA A 168 -12.607 8.780 -0.134 1.00 0.18 H new ATOM 2669 N ILE A 169 -13.615 5.188 -1.223 1.00 0.01 N ATOM 2670 CA ILE A 169 -12.808 4.066 -1.802 1.00 0.01 C ATOM 2671 C ILE A 169 -13.409 3.765 -3.176 1.00 0.01 C ATOM 2672 O ILE A 169 -14.605 3.594 -3.298 1.00 0.01 O ATOM 2673 CB ILE A 169 -12.908 2.818 -0.898 1.00 1.81 C ATOM 2674 CG1 ILE A 169 -12.239 3.110 0.477 1.00 2.75 C ATOM 2675 CG2 ILE A 169 -12.222 1.600 -1.590 1.00 2.24 C ATOM 2676 CD1 ILE A 169 -13.274 3.628 1.488 1.00 3.99 C ATOM 0 H ILE A 169 -14.599 5.173 -1.492 1.00 0.01 H new ATOM 0 HA ILE A 169 -11.755 4.337 -1.880 1.00 0.01 H new ATOM 0 HB ILE A 169 -13.958 2.576 -0.734 1.00 1.81 H new ATOM 0 HG12 ILE A 169 -11.773 2.202 0.860 1.00 2.75 H new ATOM 0 HG13 ILE A 169 -11.446 3.847 0.351 1.00 2.75 H new ATOM 0 HG21 ILE A 169 -12.298 0.725 -0.945 1.00 2.24 H new ATOM 0 HG22 ILE A 169 -12.717 1.395 -2.539 1.00 2.24 H new ATOM 0 HG23 ILE A 169 -11.171 1.828 -1.770 1.00 2.24 H new ATOM 0 HD11 ILE A 169 -12.784 3.825 2.442 1.00 3.99 H new ATOM 0 HD12 ILE A 169 -13.721 4.549 1.112 1.00 3.99 H new ATOM 0 HD13 ILE A 169 -14.052 2.878 1.628 1.00 3.99 H new ATOM 2688 N GLN A 170 -12.610 3.751 -4.229 1.00 0.01 N ATOM 2689 CA GLN A 170 -13.168 3.524 -5.605 1.00 0.01 C ATOM 2690 C GLN A 170 -12.741 2.187 -6.229 1.00 0.02 C ATOM 2691 O GLN A 170 -13.365 1.748 -7.173 1.00 0.01 O ATOM 2692 CB GLN A 170 -12.707 4.662 -6.520 1.00 2.62 C ATOM 2693 CG GLN A 170 -13.222 5.996 -5.975 1.00 3.39 C ATOM 2694 CD GLN A 170 -14.739 6.073 -6.156 1.00 4.36 C ATOM 2695 OE1 GLN A 170 -15.250 5.766 -7.214 1.00 4.83 O ATOM 2696 NE2 GLN A 170 -15.484 6.471 -5.161 1.00 5.17 N ATOM 0 H GLN A 170 -11.600 3.887 -4.191 1.00 0.01 H new ATOM 0 HA GLN A 170 -14.253 3.497 -5.505 1.00 0.01 H new ATOM 0 HB2 GLN A 170 -11.619 4.677 -6.579 1.00 2.62 H new ATOM 0 HB3 GLN A 170 -13.079 4.503 -7.532 1.00 2.62 H new ATOM 0 HG2 GLN A 170 -12.966 6.092 -4.920 1.00 3.39 H new ATOM 0 HG3 GLN A 170 -12.741 6.823 -6.496 1.00 3.39 H new ATOM 0 HE21 GLN A 170 -15.054 6.729 -4.273 1.00 5.17 H new ATOM 0 HE22 GLN A 170 -16.497 6.524 -5.272 1.00 5.17 H new ATOM 2705 N SER A 171 -11.714 1.511 -5.771 1.00 0.01 N ATOM 2706 CA SER A 171 -11.364 0.215 -6.450 1.00 0.01 C ATOM 2707 C SER A 171 -10.555 -0.676 -5.506 1.00 0.01 C ATOM 2708 O SER A 171 -9.967 -0.215 -4.551 1.00 0.01 O ATOM 2709 CB SER A 171 -10.536 0.506 -7.704 1.00 0.01 C ATOM 2710 OG SER A 171 -9.163 0.593 -7.349 1.00 0.02 O ATOM 0 H SER A 171 -11.121 1.783 -4.987 1.00 0.01 H new ATOM 0 HA SER A 171 -12.284 -0.301 -6.724 1.00 0.01 H new ATOM 0 HB2 SER A 171 -10.684 -0.282 -8.442 1.00 0.01 H new ATOM 0 HB3 SER A 171 -10.865 1.438 -8.163 1.00 0.01 H new ATOM 0 HG SER A 171 -8.772 1.398 -7.749 1.00 0.02 H new ATOM 2716 N PHE A 172 -10.500 -1.961 -5.781 1.00 0.01 N ATOM 2717 CA PHE A 172 -9.697 -2.874 -4.905 1.00 0.01 C ATOM 2718 C PHE A 172 -9.215 -4.099 -5.693 1.00 0.01 C ATOM 2719 O PHE A 172 -9.813 -4.496 -6.675 1.00 0.01 O ATOM 2720 CB PHE A 172 -10.515 -3.313 -3.681 1.00 1.06 C ATOM 2721 CG PHE A 172 -11.899 -3.779 -4.075 1.00 0.75 C ATOM 2722 CD1 PHE A 172 -12.069 -4.998 -4.743 1.00 0.75 C ATOM 2723 CD2 PHE A 172 -13.021 -3.005 -3.745 1.00 1.29 C ATOM 2724 CE1 PHE A 172 -13.353 -5.438 -5.085 1.00 1.16 C ATOM 2725 CE2 PHE A 172 -14.303 -3.448 -4.083 1.00 2.02 C ATOM 2726 CZ PHE A 172 -14.471 -4.663 -4.753 1.00 1.92 C ATOM 0 H PHE A 172 -10.971 -2.412 -6.565 1.00 0.01 H new ATOM 0 HA PHE A 172 -8.823 -2.324 -4.556 1.00 0.01 H new ATOM 0 HB2 PHE A 172 -9.993 -4.118 -3.163 1.00 1.06 H new ATOM 0 HB3 PHE A 172 -10.596 -2.483 -2.980 1.00 1.06 H new ATOM 0 HD1 PHE A 172 -11.208 -5.600 -4.995 1.00 0.75 H new ATOM 0 HD2 PHE A 172 -12.894 -2.065 -3.229 1.00 1.29 H new ATOM 0 HE1 PHE A 172 -13.481 -6.376 -5.605 1.00 1.16 H new ATOM 0 HE2 PHE A 172 -15.165 -2.850 -3.826 1.00 2.02 H new ATOM 0 HZ PHE A 172 -15.462 -5.004 -5.014 1.00 1.92 H new ATOM 2736 N ARG A 173 -8.119 -4.694 -5.276 1.00 0.01 N ATOM 2737 CA ARG A 173 -7.573 -5.883 -6.007 1.00 0.01 C ATOM 2738 C ARG A 173 -6.948 -6.884 -5.032 1.00 0.01 C ATOM 2739 O ARG A 173 -6.459 -6.529 -3.979 1.00 0.01 O ATOM 2740 CB ARG A 173 -6.470 -5.441 -6.973 1.00 0.01 C ATOM 2741 CG ARG A 173 -7.008 -4.436 -8.004 1.00 0.01 C ATOM 2742 CD ARG A 173 -6.125 -4.470 -9.262 1.00 0.01 C ATOM 2743 NE ARG A 173 -6.542 -5.607 -10.130 1.00 0.01 N ATOM 2744 CZ ARG A 173 -6.140 -5.664 -11.370 1.00 0.01 C ATOM 2745 NH1 ARG A 173 -5.370 -4.724 -11.849 1.00 0.01 N ATOM 2746 NH2 ARG A 173 -6.506 -6.658 -12.131 1.00 0.01 N ATOM 0 H ARG A 173 -7.580 -4.406 -4.460 1.00 0.01 H new ATOM 0 HA ARG A 173 -8.401 -6.347 -6.542 1.00 0.01 H new ATOM 0 HB2 ARG A 173 -5.651 -4.989 -6.413 1.00 0.01 H new ATOM 0 HB3 ARG A 173 -6.062 -6.311 -7.487 1.00 0.01 H new ATOM 0 HG2 ARG A 173 -8.038 -4.681 -8.263 1.00 0.01 H new ATOM 0 HG3 ARG A 173 -7.016 -3.432 -7.579 1.00 0.01 H new ATOM 0 HD2 ARG A 173 -6.214 -3.530 -9.807 1.00 0.01 H new ATOM 0 HD3 ARG A 173 -5.077 -4.578 -8.981 1.00 0.01 H new ATOM 0 HE ARG A 173 -7.142 -6.341 -9.755 1.00 0.01 H new ATOM 0 HH11 ARG A 173 -5.084 -3.947 -11.254 1.00 0.01 H new ATOM 0 HH12 ARG A 173 -5.055 -4.767 -12.818 1.00 0.01 H new ATOM 0 HH21 ARG A 173 -7.107 -7.392 -11.757 1.00 0.01 H new ATOM 0 HH22 ARG A 173 -6.191 -6.701 -13.100 1.00 0.01 H new ATOM 2760 N ARG A 174 -6.948 -8.140 -5.399 1.00 0.01 N ATOM 2761 CA ARG A 174 -6.340 -9.190 -4.531 1.00 0.01 C ATOM 2762 C ARG A 174 -4.849 -9.321 -4.870 1.00 0.01 C ATOM 2763 O ARG A 174 -4.459 -9.253 -6.019 1.00 0.01 O ATOM 2764 CB ARG A 174 -7.028 -10.533 -4.788 1.00 0.01 C ATOM 2765 CG ARG A 174 -6.824 -10.941 -6.250 1.00 0.01 C ATOM 2766 CD ARG A 174 -7.797 -12.066 -6.605 1.00 0.01 C ATOM 2767 NE ARG A 174 -7.662 -12.401 -8.049 1.00 0.01 N ATOM 2768 CZ ARG A 174 -8.158 -13.518 -8.509 1.00 0.01 C ATOM 2769 NH1 ARG A 174 -8.773 -14.338 -7.703 1.00 0.01 N ATOM 2770 NH2 ARG A 174 -8.039 -13.811 -9.775 1.00 0.01 N ATOM 0 H ARG A 174 -7.348 -8.485 -6.272 1.00 0.01 H new ATOM 0 HA ARG A 174 -6.463 -8.911 -3.485 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -6.618 -11.296 -4.126 1.00 0.01 H new ATOM 0 HB3 ARG A 174 -8.092 -10.457 -4.566 1.00 0.01 H new ATOM 0 HG2 ARG A 174 -6.987 -10.084 -6.904 1.00 0.01 H new ATOM 0 HG3 ARG A 174 -5.797 -11.271 -6.407 1.00 0.01 H new ATOM 0 HD2 ARG A 174 -7.590 -12.946 -5.996 1.00 0.01 H new ATOM 0 HD3 ARG A 174 -8.820 -11.759 -6.386 1.00 0.01 H new ATOM 0 HE ARG A 174 -7.182 -11.758 -8.679 1.00 0.01 H new ATOM 0 HH11 ARG A 174 -8.866 -14.107 -6.714 1.00 0.01 H new ATOM 0 HH12 ARG A 174 -9.161 -15.211 -8.062 1.00 0.01 H new ATOM 0 HH21 ARG A 174 -7.559 -13.168 -10.404 1.00 0.01 H new ATOM 0 HH22 ARG A 174 -8.426 -14.683 -10.135 1.00 0.01 H new ATOM 2784 N ILE A 175 -4.015 -9.528 -3.881 1.00 0.01 N ATOM 2785 CA ILE A 175 -2.550 -9.688 -4.163 1.00 0.01 C ATOM 2786 C ILE A 175 -2.224 -11.180 -4.292 1.00 0.00 C ATOM 2787 O ILE A 175 -2.582 -11.970 -3.441 1.00 0.01 O ATOM 2788 CB ILE A 175 -1.700 -9.097 -3.028 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -2.246 -7.729 -2.610 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -0.257 -8.935 -3.517 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -1.314 -7.116 -1.555 1.00 3.04 C ATOM 0 H ILE A 175 -4.280 -9.593 -2.898 1.00 0.01 H new ATOM 0 HA ILE A 175 -2.319 -9.159 -5.088 1.00 0.01 H new ATOM 0 HB ILE A 175 -1.735 -9.769 -2.170 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -2.316 -7.072 -3.477 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -3.253 -7.834 -2.207 1.00 2.51 H new ATOM 0 HG21 ILE A 175 0.353 -8.516 -2.717 1.00 1.75 H new ATOM 0 HG22 ILE A 175 0.141 -9.908 -3.805 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -0.237 -8.266 -4.377 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.697 -6.141 -1.253 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -1.267 -7.772 -0.686 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -0.315 -6.999 -1.976 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.552 -11.576 -5.347 1.00 0.01 N ATOM 2804 CA VAL A 176 -1.203 -13.021 -5.527 1.00 0.00 C ATOM 2805 C VAL A 176 0.247 -13.146 -5.997 1.00 0.01 C ATOM 2806 O VAL A 176 0.756 -12.306 -6.709 1.00 0.00 O ATOM 2807 CB VAL A 176 -2.119 -13.639 -6.585 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -1.854 -15.144 -6.672 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -3.578 -13.401 -6.195 1.00 1.89 C ATOM 0 H VAL A 176 -1.230 -10.959 -6.093 1.00 0.01 H new ATOM 0 HA VAL A 176 -1.329 -13.539 -4.576 1.00 0.00 H new ATOM 0 HB VAL A 176 -1.921 -13.178 -7.553 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -2.506 -15.585 -7.426 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -0.813 -15.315 -6.948 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -2.053 -15.605 -5.705 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -4.232 -13.841 -6.948 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -3.776 -13.863 -5.228 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -3.767 -12.329 -6.131 1.00 1.89 H new ATOM 2819 N GLU A 177 0.917 -14.194 -5.601 1.00 0.01 N ATOM 2820 CA GLU A 177 2.336 -14.384 -6.018 1.00 0.01 C ATOM 2821 C GLU A 177 2.450 -14.193 -7.534 1.00 0.01 C ATOM 2822 CB GLU A 177 2.787 -15.800 -5.648 1.00 2.15 C ATOM 2823 CG GLU A 177 4.297 -15.928 -5.861 1.00 3.19 C ATOM 2824 CD GLU A 177 4.725 -17.384 -5.647 1.00 4.20 C ATOM 2825 OE1 GLU A 177 4.026 -18.263 -6.128 1.00 4.77 O ATOM 2826 OE2 GLU A 177 5.742 -17.594 -5.009 1.00 4.89 O ATOM 0 H GLU A 177 0.541 -14.930 -5.004 1.00 0.01 H new ATOM 0 HA GLU A 177 2.968 -13.655 -5.511 1.00 0.01 H new ATOM 0 HB2 GLU A 177 2.537 -16.013 -4.609 1.00 2.15 H new ATOM 0 HB3 GLU A 177 2.260 -16.532 -6.259 1.00 2.15 H new ATOM 0 HG2 GLU A 177 4.561 -15.605 -6.868 1.00 3.19 H new ATOM 0 HG3 GLU A 177 4.829 -15.276 -5.168 1.00 3.19 H new