USER MOD reduce.3.24.130724 H: found=0, std=0, add=1352, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1325 hydrogens (76 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 201 DAL H2 : B 201 DAL N : B 211 ALA C :(H bumps) USER MOD NoAdj-H: B 202 MLE H : B 202 MLE N : B 201 DAL C :(H bumps) USER MOD NoAdj-H: B 203 MLE H : B 203 MLE N : B 202 MLE C :(H bumps) USER MOD NoAdj-H: B 204 MVA H : B 204 MVA N : B 203 MLE C :(H bumps) USER MOD NoAdj-H: B 205 BMT H : B 205 BMT N : B 204 MVA C :(H bumps) USER MOD NoAdj-H: B 206 ABA HN2 : B 206 ABA N : B 205 BMT C :(H bumps) USER MOD NoAdj-H: B 207 SAR H : B 207 SAR N : B 206 ABA C :(H bumps) USER MOD NoAdj-H: B 208 MLE H : B 208 MLE N : B 207 SAR C :(H bumps) USER MOD NoAdj-H: B 210 MLE H : B 210 MLE N : B 209 VAL C :(H bumps) USER MOD Set 1.1: A 147 SER OG : rot 135:sc= 0.374 USER MOD Set 1.2: A 149 ASN : amide:sc= 1.97 K(o=2.3,f=-10!) USER MOD Set 2.1: A 115 CYS SG : rot -51:sc= 1 USER MOD Set 2.2: A 119 THR OG1 : rot 155:sc= 0.873 USER MOD Set 3.1: A 102 ASN : amide:sc= -4.26! C(o=-3.1!,f=-7.7!) USER MOD Set 3.2: A 111 GLN : amide:sc= 1.16 K(o=-3.1,f=-13!) USER MOD Set 4.1: A 100 MET CE :methyl 147:sc= -3.37 (180deg=-6.15!) USER MOD Set 4.2: A 108 ASN : amide:sc= -4.46 K(o=-7.8,f=-14!) USER MOD Set 5.1: A 92 HIS :FLIP no HE2:sc= -1.85 F(o=-2.9,f=-1.9) USER MOD Set 5.2: A 99 SER OG : rot 143:sc= -0.0576 USER MOD Set 6.1: A 82 LYS NZ :NH3+ 150:sc= 1.25 (180deg=0.255) USER MOD Set 6.2: A 107 THR OG1 : rot 79:sc= 0.721 USER MOD Set 7.1: A 71 ASN : amide:sc= 1.26 K(o=2.4,f=-7.4!) USER MOD Set 7.2: A 73 THR OG1 : rot -47:sc= 1.14! USER MOD Set 8.1: A 48 TYR OH : rot 50:sc= 0.488 USER MOD Set 8.2: A 110 SER OG : rot 180:sc= 0.461 USER MOD Set 9.1: A 35 ASN : amide:sc= -0.732 K(o=-2.6,f=-11!) USER MOD Set 9.2: A 77 SER OG : rot -143:sc= -1.84! USER MOD Set10.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set10.2: A 3 ASN : amide:sc= -0.253 K(o=-0.25,f=-5.3!) USER MOD Single : A 1 MET N :NH3+ 147:sc= -0.134 (180deg=-0.878) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 158:sc= 1.17 (180deg=-0.0571) USER MOD Single : A 31 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0307) USER MOD Single : A 32 THR OG1 : rot 78:sc= 0.146 USER MOD Single : A 40 SER OG : rot -146:sc= 0.619 USER MOD Single : A 41 THR OG1 : rot -59:sc= 0.238 USER MOD Single : A 44 LYS NZ :NH3+ 159:sc= -0.0255 (180deg=-0.0296) USER MOD Single : A 49 LYS NZ :NH3+ 170:sc= 0.598 (180deg=0.35) USER MOD Single : A 51 SER OG : rot -141:sc= 2.38! USER MOD Single : A 52 CYS SG : rot 180:sc= -0.582 USER MOD Single : A 54 HIS : no HE2:sc= -1.41 K(o=-1.4,f=-6.2!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 180:sc= -0.0752 USER MOD Single : A 63 GLN : amide:sc= -1.86 K(o=-1.9,f=-5.8!) USER MOD Single : A 68 THR OG1 : rot 132:sc= -1.47 USER MOD Single : A 70 HIS : no HE2:sc= 0.0595 K(o=0.059,f=-0.63) USER MOD Single : A 76 LYS NZ :NH3+ -155:sc= -0.432 (180deg=-2.69!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.544 K(o=-0.54,f=-1.5) USER MOD Single : A 91 LYS NZ :NH3+ 176:sc= 0.782 (180deg=0.712) USER MOD Single : A 93 THR OG1 : rot 140:sc= -0.794 USER MOD Single : A 106 ASN : amide:sc= -0.456 K(o=-0.46,f=-1.4) USER MOD Single : A 116 THR OG1 : rot -130:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 170:sc= 1.89 (180deg=1.58) USER MOD Single : A 125 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0174) USER MOD Single : A 126 HIS : no HE2:sc= -0.0221 K(o=-0.022,f=-3.9!) USER MOD Single : A 131 LYS NZ :NH3+ -103:sc= 1.01 (180deg=-0.505!) USER MOD Single : A 133 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0219) USER MOD Single : A 136 MET CE :methyl -155:sc= -0.109 (180deg=-0.983) USER MOD Single : A 137 ASN : amide:sc= -0.866 K(o=-0.87,f=-9.6!) USER MOD Single : A 142 MET CE :methyl 164:sc= 0 (180deg=-0.282) USER MOD Single : A 151 LYS NZ :NH3+ -174:sc= 0.747 (180deg=0.452) USER MOD Single : A 152 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 133:sc= 0.787 (180deg=-1.06) USER MOD Single : A 157 THR OG1 : rot 30:sc= 0.302 USER MOD Single : A 161 CYS SG : rot -149:sc= 0.471 USER MOD Single : A 163 GLN : amide:sc= 0.696 K(o=0.7,f=-1.7!) USER MOD Single : B 205 BMT OG1 : rot 56:sc= -4.54! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.510 -20.205 -11.488 1.00 8.30 N ATOM 2 CA MET A 1 -4.224 -19.658 -11.089 1.00 6.70 C ATOM 3 C MET A 1 -4.104 -19.595 -9.565 1.00 5.47 C ATOM 4 O MET A 1 -5.107 -19.475 -8.864 1.00 6.23 O ATOM 5 CB MET A 1 -4.063 -18.253 -11.673 1.00 7.77 C ATOM 6 CG MET A 1 -5.228 -17.351 -11.258 1.00 9.22 C ATOM 7 SD MET A 1 -5.107 -15.777 -12.092 1.00 11.02 S ATOM 8 CE MET A 1 -4.076 -14.892 -10.934 1.00 11.47 C ATOM 0 H1 MET A 1 -5.815 -19.761 -12.378 1.00 8.30 H new ATOM 0 H2 MET A 1 -5.423 -21.232 -11.625 1.00 8.30 H new ATOM 0 H3 MET A 1 -6.214 -20.013 -10.747 1.00 8.30 H new ATOM 0 HA MET A 1 -3.439 -20.311 -11.470 1.00 6.70 H new ATOM 0 HB2 MET A 1 -3.123 -17.819 -11.332 1.00 7.77 H new ATOM 0 HB3 MET A 1 -4.012 -18.311 -12.760 1.00 7.77 H new ATOM 0 HG2 MET A 1 -6.176 -17.830 -11.504 1.00 9.22 H new ATOM 0 HG3 MET A 1 -5.217 -17.202 -10.178 1.00 9.22 H new ATOM 0 HE1 MET A 1 -3.900 -13.881 -11.302 1.00 11.47 H new ATOM 0 HE2 MET A 1 -4.575 -14.843 -9.966 1.00 11.47 H new ATOM 0 HE3 MET A 1 -3.123 -15.410 -10.825 1.00 11.47 H new ATOM 18 N VAL A 2 -2.866 -19.679 -9.097 1.00 4.03 N ATOM 19 CA VAL A 2 -2.603 -19.635 -7.669 1.00 3.17 C ATOM 20 C VAL A 2 -1.510 -18.602 -7.388 1.00 2.25 C ATOM 21 O VAL A 2 -0.562 -18.469 -8.161 1.00 3.07 O ATOM 22 CB VAL A 2 -2.248 -21.034 -7.160 1.00 3.46 C ATOM 23 CG1 VAL A 2 -1.935 -21.010 -5.663 1.00 4.22 C ATOM 24 CG2 VAL A 2 -3.367 -22.031 -7.470 1.00 4.64 C ATOM 0 H VAL A 2 -2.036 -19.777 -9.681 1.00 4.03 H new ATOM 0 HA VAL A 2 -3.494 -19.321 -7.125 1.00 3.17 H new ATOM 0 HB VAL A 2 -1.351 -21.363 -7.685 1.00 3.46 H new ATOM 0 HG11 VAL A 2 -1.686 -22.017 -5.327 1.00 4.22 H new ATOM 0 HG12 VAL A 2 -1.090 -20.347 -5.479 1.00 4.22 H new ATOM 0 HG13 VAL A 2 -2.806 -20.650 -5.115 1.00 4.22 H new ATOM 0 HG21 VAL A 2 -3.089 -23.017 -7.098 1.00 4.64 H new ATOM 0 HG22 VAL A 2 -4.288 -21.706 -6.986 1.00 4.64 H new ATOM 0 HG23 VAL A 2 -3.522 -22.081 -8.548 1.00 4.64 H new ATOM 34 N ASN A 3 -1.678 -17.897 -6.279 1.00 1.54 N ATOM 35 CA ASN A 3 -0.723 -16.873 -5.892 1.00 0.97 C ATOM 36 C ASN A 3 -0.482 -16.951 -4.383 1.00 0.91 C ATOM 37 O ASN A 3 -1.377 -17.324 -3.626 1.00 0.99 O ATOM 38 CB ASN A 3 -1.253 -15.474 -6.213 1.00 1.23 C ATOM 39 CG ASN A 3 -1.640 -15.360 -7.689 1.00 1.44 C ATOM 40 OD1 ASN A 3 -2.801 -15.254 -8.047 1.00 2.20 O ATOM 41 ND2 ASN A 3 -0.605 -15.389 -8.524 1.00 2.74 N ATOM 0 H ASN A 3 -2.461 -18.015 -5.636 1.00 1.54 H new ATOM 0 HA ASN A 3 0.199 -17.046 -6.448 1.00 0.97 H new ATOM 0 HB2 ASN A 3 -2.120 -15.257 -5.588 1.00 1.23 H new ATOM 0 HB3 ASN A 3 -0.493 -14.730 -5.974 1.00 1.23 H new ATOM 0 HD21 ASN A 3 -0.759 -15.321 -9.530 1.00 2.74 H new ATOM 0 HD22 ASN A 3 0.343 -15.480 -8.158 1.00 2.74 H new ATOM 48 N PRO A 4 0.764 -16.585 -3.980 1.00 0.98 N ATOM 49 CA PRO A 4 1.118 -16.561 -2.570 1.00 1.00 C ATOM 50 C PRO A 4 0.497 -15.351 -1.870 1.00 0.77 C ATOM 51 O PRO A 4 0.333 -14.294 -2.477 1.00 0.93 O ATOM 52 CB PRO A 4 2.638 -16.546 -2.547 1.00 1.34 C ATOM 53 CG PRO A 4 3.071 -16.094 -3.932 1.00 1.48 C ATOM 54 CD PRO A 4 1.865 -16.184 -4.851 1.00 1.23 C ATOM 0 HA PRO A 4 0.733 -17.422 -2.024 1.00 1.00 H new ATOM 0 HB2 PRO A 4 3.010 -15.867 -1.780 1.00 1.34 H new ATOM 0 HB3 PRO A 4 3.035 -17.535 -2.317 1.00 1.34 H new ATOM 0 HG2 PRO A 4 3.450 -15.073 -3.899 1.00 1.48 H new ATOM 0 HG3 PRO A 4 3.881 -16.722 -4.303 1.00 1.48 H new ATOM 0 HD2 PRO A 4 1.661 -15.227 -5.332 1.00 1.23 H new ATOM 0 HD3 PRO A 4 2.026 -16.912 -5.646 1.00 1.23 H new ATOM 62 N THR A 5 0.170 -15.545 -0.601 1.00 0.80 N ATOM 63 CA THR A 5 -0.504 -14.512 0.165 1.00 0.63 C ATOM 64 C THR A 5 0.355 -14.084 1.357 1.00 0.68 C ATOM 65 O THR A 5 1.105 -14.890 1.906 1.00 0.88 O ATOM 66 CB THR A 5 -1.881 -15.043 0.569 1.00 0.70 C ATOM 67 OG1 THR A 5 -2.471 -15.450 -0.663 1.00 1.11 O ATOM 68 CG2 THR A 5 -2.810 -13.939 1.080 1.00 1.07 C ATOM 0 H THR A 5 0.360 -16.404 -0.084 1.00 0.80 H new ATOM 0 HA THR A 5 -0.649 -13.611 -0.431 1.00 0.63 H new ATOM 0 HB THR A 5 -1.763 -15.803 1.341 1.00 0.70 H new ATOM 0 HG1 THR A 5 -3.367 -15.809 -0.494 1.00 1.11 H new ATOM 0 HG21 THR A 5 -3.773 -14.371 1.353 1.00 1.07 H new ATOM 0 HG22 THR A 5 -2.365 -13.464 1.954 1.00 1.07 H new ATOM 0 HG23 THR A 5 -2.955 -13.194 0.297 1.00 1.07 H new ATOM 76 N VAL A 6 0.217 -12.818 1.721 1.00 0.63 N ATOM 77 CA VAL A 6 0.979 -12.271 2.831 1.00 0.71 C ATOM 78 C VAL A 6 0.024 -11.589 3.813 1.00 0.65 C ATOM 79 O VAL A 6 -1.127 -11.314 3.475 1.00 0.68 O ATOM 80 CB VAL A 6 2.069 -11.335 2.307 1.00 0.86 C ATOM 81 CG1 VAL A 6 3.121 -12.108 1.511 1.00 1.47 C ATOM 82 CG2 VAL A 6 1.465 -10.207 1.467 1.00 1.15 C ATOM 0 H VAL A 6 -0.411 -12.155 1.267 1.00 0.63 H new ATOM 0 HA VAL A 6 1.488 -13.067 3.374 1.00 0.71 H new ATOM 0 HB VAL A 6 2.565 -10.885 3.167 1.00 0.86 H new ATOM 0 HG11 VAL A 6 3.884 -11.418 1.150 1.00 1.47 H new ATOM 0 HG12 VAL A 6 3.584 -12.858 2.152 1.00 1.47 H new ATOM 0 HG13 VAL A 6 2.646 -12.600 0.662 1.00 1.47 H new ATOM 0 HG21 VAL A 6 2.261 -9.556 1.106 1.00 1.15 H new ATOM 0 HG22 VAL A 6 0.931 -10.632 0.617 1.00 1.15 H new ATOM 0 HG23 VAL A 6 0.772 -9.629 2.078 1.00 1.15 H new ATOM 92 N PHE A 7 0.537 -11.334 5.007 1.00 0.71 N ATOM 93 CA PHE A 7 -0.265 -10.714 6.048 1.00 0.73 C ATOM 94 C PHE A 7 0.450 -9.498 6.640 1.00 0.57 C ATOM 95 O PHE A 7 1.680 -9.447 6.666 1.00 0.64 O ATOM 96 CB PHE A 7 -0.458 -11.761 7.147 1.00 1.00 C ATOM 97 CG PHE A 7 0.821 -12.102 7.914 1.00 0.81 C ATOM 98 CD1 PHE A 7 1.201 -11.344 8.976 1.00 1.69 C ATOM 99 CD2 PHE A 7 1.580 -13.165 7.532 1.00 1.99 C ATOM 100 CE1 PHE A 7 2.388 -11.660 9.688 1.00 2.00 C ATOM 101 CE2 PHE A 7 2.767 -13.482 8.243 1.00 2.25 C ATOM 102 CZ PHE A 7 3.147 -12.723 9.306 1.00 1.70 C ATOM 0 H PHE A 7 1.498 -11.545 5.277 1.00 0.71 H new ATOM 0 HA PHE A 7 -1.216 -10.378 5.634 1.00 0.73 H new ATOM 0 HB2 PHE A 7 -1.206 -11.399 7.852 1.00 1.00 H new ATOM 0 HB3 PHE A 7 -0.855 -12.672 6.700 1.00 1.00 H new ATOM 0 HD1 PHE A 7 0.599 -10.500 9.279 1.00 1.69 H new ATOM 0 HD2 PHE A 7 1.279 -13.768 6.688 1.00 1.99 H new ATOM 0 HE1 PHE A 7 2.688 -11.057 10.532 1.00 2.00 H new ATOM 0 HE2 PHE A 7 3.369 -14.326 7.940 1.00 2.25 H new ATOM 0 HZ PHE A 7 4.050 -12.964 9.846 1.00 1.70 H new ATOM 112 N PHE A 8 -0.349 -8.547 7.101 1.00 0.60 N ATOM 113 CA PHE A 8 0.192 -7.326 7.672 1.00 0.67 C ATOM 114 C PHE A 8 -0.588 -6.913 8.922 1.00 0.55 C ATOM 115 O PHE A 8 -1.778 -6.614 8.845 1.00 0.66 O ATOM 116 CB PHE A 8 0.046 -6.233 6.612 1.00 1.06 C ATOM 117 CG PHE A 8 1.224 -6.151 5.638 1.00 1.17 C ATOM 118 CD1 PHE A 8 1.374 -7.095 4.671 1.00 2.65 C ATOM 119 CD2 PHE A 8 2.121 -5.133 5.738 1.00 1.93 C ATOM 120 CE1 PHE A 8 2.466 -7.020 3.767 1.00 3.48 C ATOM 121 CE2 PHE A 8 3.214 -5.057 4.835 1.00 2.80 C ATOM 122 CZ PHE A 8 3.363 -6.002 3.867 1.00 3.21 C ATOM 0 H PHE A 8 -1.368 -8.598 7.091 1.00 0.60 H new ATOM 0 HA PHE A 8 1.232 -7.479 7.959 1.00 0.67 H new ATOM 0 HB2 PHE A 8 -0.869 -6.409 6.046 1.00 1.06 H new ATOM 0 HB3 PHE A 8 -0.068 -5.270 7.110 1.00 1.06 H new ATOM 0 HD1 PHE A 8 0.662 -7.903 4.591 1.00 2.65 H new ATOM 0 HD2 PHE A 8 2.002 -4.382 6.505 1.00 1.93 H new ATOM 0 HE1 PHE A 8 2.585 -7.771 3.000 1.00 3.48 H new ATOM 0 HE2 PHE A 8 3.927 -4.250 4.916 1.00 2.80 H new ATOM 0 HZ PHE A 8 4.193 -5.944 3.178 1.00 3.21 H new ATOM 132 N ASP A 9 0.116 -6.909 10.045 1.00 0.58 N ATOM 133 CA ASP A 9 -0.503 -6.569 11.315 1.00 0.56 C ATOM 134 C ASP A 9 -0.294 -5.079 11.596 1.00 0.59 C ATOM 135 O ASP A 9 0.833 -4.589 11.555 1.00 0.71 O ATOM 136 CB ASP A 9 0.125 -7.360 12.464 1.00 0.68 C ATOM 137 CG ASP A 9 -0.642 -7.299 13.787 1.00 1.09 C ATOM 138 OD1 ASP A 9 -0.616 -6.213 14.408 1.00 1.98 O ATOM 139 OD2 ASP A 9 -1.236 -8.337 14.148 1.00 2.11 O ATOM 0 H ASP A 9 1.109 -7.136 10.102 1.00 0.58 H new ATOM 0 HA ASP A 9 -1.564 -6.811 11.249 1.00 0.56 H new ATOM 0 HB2 ASP A 9 0.214 -8.403 12.161 1.00 0.68 H new ATOM 0 HB3 ASP A 9 1.136 -6.989 12.630 1.00 0.68 H new ATOM 144 N ILE A 10 -1.397 -4.402 11.878 1.00 0.57 N ATOM 145 CA ILE A 10 -1.361 -2.964 12.085 1.00 0.65 C ATOM 146 C ILE A 10 -1.603 -2.660 13.565 1.00 0.65 C ATOM 147 O ILE A 10 -2.392 -3.339 14.220 1.00 0.72 O ATOM 148 CB ILE A 10 -2.341 -2.262 11.144 1.00 0.80 C ATOM 149 CG1 ILE A 10 -2.210 -2.797 9.716 1.00 0.96 C ATOM 150 CG2 ILE A 10 -2.167 -0.743 11.205 1.00 1.25 C ATOM 151 CD1 ILE A 10 -0.808 -2.538 9.160 1.00 1.58 C ATOM 0 H ILE A 10 -2.322 -4.823 11.968 1.00 0.57 H new ATOM 0 HA ILE A 10 -0.377 -2.568 11.835 1.00 0.65 H new ATOM 0 HB ILE A 10 -3.354 -2.484 11.479 1.00 0.80 H new ATOM 0 HG12 ILE A 10 -2.418 -3.867 9.704 1.00 0.96 H new ATOM 0 HG13 ILE A 10 -2.953 -2.321 9.076 1.00 0.96 H new ATOM 0 HG21 ILE A 10 -2.876 -0.268 10.527 1.00 1.25 H new ATOM 0 HG22 ILE A 10 -2.350 -0.396 12.222 1.00 1.25 H new ATOM 0 HG23 ILE A 10 -1.151 -0.481 10.910 1.00 1.25 H new ATOM 0 HD11 ILE A 10 -0.742 -2.928 8.144 1.00 1.58 H new ATOM 0 HD12 ILE A 10 -0.613 -1.466 9.151 1.00 1.58 H new ATOM 0 HD13 ILE A 10 -0.070 -3.036 9.789 1.00 1.58 H new ATOM 163 N ALA A 11 -0.909 -1.640 14.048 1.00 0.67 N ATOM 164 CA ALA A 11 -1.140 -1.150 15.396 1.00 0.76 C ATOM 165 C ALA A 11 -1.208 0.379 15.374 1.00 0.81 C ATOM 166 O ALA A 11 -0.254 1.041 14.969 1.00 0.86 O ATOM 167 CB ALA A 11 -0.040 -1.670 16.323 1.00 0.87 C ATOM 0 H ALA A 11 -0.187 -1.140 13.530 1.00 0.67 H new ATOM 0 HA ALA A 11 -2.092 -1.517 15.780 1.00 0.76 H new ATOM 0 HB1 ALA A 11 -0.213 -1.303 17.335 1.00 0.87 H new ATOM 0 HB2 ALA A 11 -0.052 -2.760 16.326 1.00 0.87 H new ATOM 0 HB3 ALA A 11 0.930 -1.319 15.970 1.00 0.87 H new ATOM 173 N VAL A 12 -2.347 0.895 15.814 1.00 0.98 N ATOM 174 CA VAL A 12 -2.557 2.332 15.837 1.00 1.18 C ATOM 175 C VAL A 12 -2.134 2.883 17.200 1.00 1.33 C ATOM 176 O VAL A 12 -2.936 2.932 18.131 1.00 1.55 O ATOM 177 CB VAL A 12 -4.012 2.653 15.488 1.00 1.30 C ATOM 178 CG1 VAL A 12 -4.263 4.162 15.515 1.00 1.56 C ATOM 179 CG2 VAL A 12 -4.395 2.058 14.133 1.00 1.17 C ATOM 0 H VAL A 12 -3.133 0.343 16.157 1.00 0.98 H new ATOM 0 HA VAL A 12 -1.940 2.821 15.083 1.00 1.18 H new ATOM 0 HB VAL A 12 -4.647 2.195 16.246 1.00 1.30 H new ATOM 0 HG11 VAL A 12 -5.304 4.362 15.263 1.00 1.56 H new ATOM 0 HG12 VAL A 12 -4.050 4.549 16.512 1.00 1.56 H new ATOM 0 HG13 VAL A 12 -3.614 4.652 14.789 1.00 1.56 H new ATOM 0 HG21 VAL A 12 -5.434 2.301 13.909 1.00 1.17 H new ATOM 0 HG22 VAL A 12 -3.750 2.473 13.358 1.00 1.17 H new ATOM 0 HG23 VAL A 12 -4.274 0.975 14.164 1.00 1.17 H new ATOM 189 N ASP A 13 -0.873 3.285 17.274 1.00 1.31 N ATOM 190 CA ASP A 13 -0.317 3.778 18.522 1.00 1.43 C ATOM 191 C ASP A 13 -0.603 2.771 19.637 1.00 1.36 C ATOM 192 O ASP A 13 -1.615 2.873 20.327 1.00 1.56 O ATOM 193 CB ASP A 13 -0.952 5.113 18.917 1.00 1.74 C ATOM 194 CG ASP A 13 0.012 6.300 18.963 1.00 2.59 C ATOM 195 OD1 ASP A 13 0.931 6.318 18.115 1.00 3.87 O ATOM 196 OD2 ASP A 13 -0.191 7.163 19.845 1.00 3.20 O ATOM 0 H ASP A 13 -0.221 3.279 16.490 1.00 1.31 H new ATOM 0 HA ASP A 13 0.755 3.915 18.383 1.00 1.43 H new ATOM 0 HB2 ASP A 13 -1.751 5.341 18.212 1.00 1.74 H new ATOM 0 HB3 ASP A 13 -1.415 5.002 19.898 1.00 1.74 H new ATOM 201 N GLY A 14 0.309 1.820 19.779 1.00 1.21 N ATOM 202 CA GLY A 14 0.200 0.831 20.838 1.00 1.31 C ATOM 203 C GLY A 14 -1.231 0.303 20.951 1.00 1.47 C ATOM 204 O GLY A 14 -1.769 0.190 22.051 1.00 1.76 O ATOM 0 H GLY A 14 1.126 1.714 19.178 1.00 1.21 H new ATOM 0 HA2 GLY A 14 0.882 0.004 20.639 1.00 1.31 H new ATOM 0 HA3 GLY A 14 0.504 1.274 21.787 1.00 1.31 H new ATOM 208 N GLU A 15 -1.808 -0.004 19.798 1.00 1.34 N ATOM 209 CA GLU A 15 -3.152 -0.553 19.757 1.00 1.53 C ATOM 210 C GLU A 15 -3.342 -1.396 18.495 1.00 1.32 C ATOM 211 O GLU A 15 -3.615 -0.860 17.422 1.00 1.30 O ATOM 212 CB GLU A 15 -4.202 0.557 19.838 1.00 1.80 C ATOM 213 CG GLU A 15 -5.578 -0.014 20.185 1.00 2.14 C ATOM 214 CD GLU A 15 -6.625 1.098 20.276 1.00 3.55 C ATOM 215 OE1 GLU A 15 -6.950 1.660 19.208 1.00 5.03 O ATOM 216 OE2 GLU A 15 -7.077 1.360 21.412 1.00 3.83 O ATOM 0 H GLU A 15 -1.369 0.117 18.885 1.00 1.34 H new ATOM 0 HA GLU A 15 -3.286 -1.198 20.626 1.00 1.53 H new ATOM 0 HB2 GLU A 15 -3.907 1.287 20.591 1.00 1.80 H new ATOM 0 HB3 GLU A 15 -4.253 1.084 18.886 1.00 1.80 H new ATOM 0 HG2 GLU A 15 -5.877 -0.739 19.428 1.00 2.14 H new ATOM 0 HG3 GLU A 15 -5.526 -0.548 21.134 1.00 2.14 H new ATOM 223 N PRO A 16 -3.188 -2.736 18.668 1.00 1.19 N ATOM 224 CA PRO A 16 -3.310 -3.656 17.550 1.00 1.01 C ATOM 225 C PRO A 16 -4.775 -3.842 17.152 1.00 0.90 C ATOM 226 O PRO A 16 -5.559 -4.416 17.906 1.00 0.89 O ATOM 227 CB PRO A 16 -2.655 -4.942 18.025 1.00 1.01 C ATOM 228 CG PRO A 16 -2.605 -4.850 19.541 1.00 1.17 C ATOM 229 CD PRO A 16 -2.891 -3.409 19.930 1.00 1.28 C ATOM 0 HA PRO A 16 -2.823 -3.288 16.647 1.00 1.01 H new ATOM 0 HB2 PRO A 16 -3.227 -5.813 17.705 1.00 1.01 H new ATOM 0 HB3 PRO A 16 -1.654 -5.048 17.607 1.00 1.01 H new ATOM 0 HG2 PRO A 16 -3.340 -5.519 19.988 1.00 1.17 H new ATOM 0 HG3 PRO A 16 -1.627 -5.158 19.910 1.00 1.17 H new ATOM 0 HD2 PRO A 16 -3.732 -3.345 20.620 1.00 1.28 H new ATOM 0 HD3 PRO A 16 -2.034 -2.956 20.428 1.00 1.28 H new ATOM 237 N LEU A 17 -5.102 -3.346 15.967 1.00 0.90 N ATOM 238 CA LEU A 17 -6.454 -3.469 15.451 1.00 0.90 C ATOM 239 C LEU A 17 -6.710 -4.924 15.047 1.00 0.75 C ATOM 240 O LEU A 17 -7.753 -5.488 15.373 1.00 0.81 O ATOM 241 CB LEU A 17 -6.690 -2.467 14.319 1.00 1.07 C ATOM 242 CG LEU A 17 -7.239 -1.102 14.738 1.00 0.84 C ATOM 243 CD1 LEU A 17 -8.673 -1.224 15.258 1.00 0.99 C ATOM 244 CD2 LEU A 17 -6.316 -0.426 15.754 1.00 1.96 C ATOM 0 H LEU A 17 -4.453 -2.858 15.350 1.00 0.90 H new ATOM 0 HA LEU A 17 -7.181 -3.218 16.224 1.00 0.90 H new ATOM 0 HB2 LEU A 17 -5.747 -2.312 13.795 1.00 1.07 H new ATOM 0 HB3 LEU A 17 -7.383 -2.912 13.605 1.00 1.07 H new ATOM 0 HG LEU A 17 -7.269 -0.462 13.856 1.00 0.84 H new ATOM 0 HD11 LEU A 17 -9.039 -0.240 15.549 1.00 0.99 H new ATOM 0 HD12 LEU A 17 -9.311 -1.631 14.474 1.00 0.99 H new ATOM 0 HD13 LEU A 17 -8.691 -1.888 16.122 1.00 0.99 H new ATOM 0 HD21 LEU A 17 -6.731 0.542 16.034 1.00 1.96 H new ATOM 0 HD22 LEU A 17 -6.229 -1.054 16.641 1.00 1.96 H new ATOM 0 HD23 LEU A 17 -5.330 -0.284 15.312 1.00 1.96 H new ATOM 256 N GLY A 18 -5.740 -5.487 14.343 1.00 0.66 N ATOM 257 CA GLY A 18 -5.835 -6.872 13.913 1.00 0.68 C ATOM 258 C GLY A 18 -4.877 -7.154 12.753 1.00 0.62 C ATOM 259 O GLY A 18 -4.084 -6.292 12.376 1.00 0.61 O ATOM 0 H GLY A 18 -4.884 -5.010 14.059 1.00 0.66 H new ATOM 0 HA2 GLY A 18 -5.604 -7.532 14.749 1.00 0.68 H new ATOM 0 HA3 GLY A 18 -6.858 -7.092 13.606 1.00 0.68 H new ATOM 263 N ARG A 19 -4.982 -8.362 12.221 1.00 0.80 N ATOM 264 CA ARG A 19 -4.081 -8.797 11.167 1.00 0.87 C ATOM 265 C ARG A 19 -4.799 -8.783 9.816 1.00 0.88 C ATOM 266 O ARG A 19 -5.878 -9.357 9.678 1.00 1.08 O ATOM 267 CB ARG A 19 -3.551 -10.206 11.441 1.00 1.06 C ATOM 268 CG ARG A 19 -2.177 -10.410 10.799 1.00 1.23 C ATOM 269 CD ARG A 19 -1.315 -11.355 11.638 1.00 2.05 C ATOM 270 NE ARG A 19 -0.826 -10.655 12.848 1.00 2.79 N ATOM 271 CZ ARG A 19 0.405 -10.806 13.357 1.00 3.91 C ATOM 272 NH1 ARG A 19 1.220 -11.750 12.869 1.00 4.56 N ATOM 273 NH2 ARG A 19 0.819 -10.011 14.353 1.00 5.01 N ATOM 0 H ARG A 19 -5.678 -9.054 12.500 1.00 0.80 H new ATOM 0 HA ARG A 19 -3.240 -8.104 11.143 1.00 0.87 H new ATOM 0 HB2 ARG A 19 -3.482 -10.369 12.516 1.00 1.06 H new ATOM 0 HB3 ARG A 19 -4.252 -10.944 11.051 1.00 1.06 H new ATOM 0 HG2 ARG A 19 -2.298 -10.817 9.795 1.00 1.23 H new ATOM 0 HG3 ARG A 19 -1.674 -9.449 10.695 1.00 1.23 H new ATOM 0 HD2 ARG A 19 -1.896 -12.232 11.925 1.00 2.05 H new ATOM 0 HD3 ARG A 19 -0.471 -11.711 11.048 1.00 2.05 H new ATOM 0 HE ARG A 19 -1.466 -10.018 13.324 1.00 2.79 H new ATOM 0 HH11 ARG A 19 0.904 -12.354 12.110 1.00 4.56 H new ATOM 0 HH12 ARG A 19 2.157 -11.865 13.256 1.00 4.56 H new ATOM 0 HH21 ARG A 19 0.198 -9.292 14.723 1.00 5.01 H new ATOM 0 HH22 ARG A 19 1.755 -10.125 14.741 1.00 5.01 H new ATOM 287 N VAL A 20 -4.170 -8.123 8.855 1.00 0.83 N ATOM 288 CA VAL A 20 -4.755 -7.994 7.530 1.00 0.87 C ATOM 289 C VAL A 20 -4.102 -9.008 6.588 1.00 1.03 C ATOM 290 O VAL A 20 -2.973 -9.438 6.821 1.00 2.11 O ATOM 291 CB VAL A 20 -4.623 -6.550 7.039 1.00 0.86 C ATOM 292 CG1 VAL A 20 -5.405 -6.341 5.740 1.00 0.90 C ATOM 293 CG2 VAL A 20 -5.073 -5.561 8.116 1.00 0.94 C ATOM 0 H VAL A 20 -3.262 -7.672 8.967 1.00 0.83 H new ATOM 0 HA VAL A 20 -5.821 -8.218 7.559 1.00 0.87 H new ATOM 0 HB VAL A 20 -3.570 -6.361 6.831 1.00 0.86 H new ATOM 0 HG11 VAL A 20 -5.295 -5.307 5.412 1.00 0.90 H new ATOM 0 HG12 VAL A 20 -5.018 -7.009 4.971 1.00 0.90 H new ATOM 0 HG13 VAL A 20 -6.459 -6.557 5.911 1.00 0.90 H new ATOM 0 HG21 VAL A 20 -4.969 -4.543 7.741 1.00 0.94 H new ATOM 0 HG22 VAL A 20 -6.116 -5.749 8.370 1.00 0.94 H new ATOM 0 HG23 VAL A 20 -4.455 -5.685 9.005 1.00 0.94 H new ATOM 303 N SER A 21 -4.840 -9.360 5.547 1.00 0.79 N ATOM 304 CA SER A 21 -4.315 -10.250 4.525 1.00 0.73 C ATOM 305 C SER A 21 -4.410 -9.584 3.150 1.00 0.53 C ATOM 306 O SER A 21 -5.407 -8.933 2.840 1.00 0.58 O ATOM 307 CB SER A 21 -5.063 -11.585 4.520 1.00 0.96 C ATOM 308 OG SER A 21 -5.052 -12.208 5.802 1.00 1.52 O ATOM 0 H SER A 21 -5.797 -9.046 5.388 1.00 0.79 H new ATOM 0 HA SER A 21 -3.268 -10.451 4.753 1.00 0.73 H new ATOM 0 HB2 SER A 21 -6.094 -11.422 4.205 1.00 0.96 H new ATOM 0 HB3 SER A 21 -4.608 -12.253 3.788 1.00 0.96 H new ATOM 0 HG SER A 21 -5.541 -13.056 5.758 1.00 1.52 H new ATOM 314 N PHE A 22 -3.360 -9.769 2.365 1.00 0.49 N ATOM 315 CA PHE A 22 -3.298 -9.167 1.044 1.00 0.58 C ATOM 316 C PHE A 22 -2.839 -10.184 -0.002 1.00 0.63 C ATOM 317 O PHE A 22 -1.847 -10.883 0.200 1.00 0.78 O ATOM 318 CB PHE A 22 -2.275 -8.031 1.117 1.00 0.82 C ATOM 319 CG PHE A 22 -2.736 -6.831 1.947 1.00 0.71 C ATOM 320 CD1 PHE A 22 -3.897 -6.197 1.639 1.00 1.90 C ATOM 321 CD2 PHE A 22 -1.981 -6.399 2.994 1.00 2.14 C ATOM 322 CE1 PHE A 22 -4.325 -5.083 2.410 1.00 2.10 C ATOM 323 CE2 PHE A 22 -2.408 -5.285 3.763 1.00 2.02 C ATOM 324 CZ PHE A 22 -3.571 -4.650 3.456 1.00 0.87 C ATOM 0 H PHE A 22 -2.545 -10.327 2.618 1.00 0.49 H new ATOM 0 HA PHE A 22 -4.285 -8.808 0.753 1.00 0.58 H new ATOM 0 HB2 PHE A 22 -1.348 -8.417 1.540 1.00 0.82 H new ATOM 0 HB3 PHE A 22 -2.048 -7.694 0.105 1.00 0.82 H new ATOM 0 HD1 PHE A 22 -4.495 -6.540 0.808 1.00 1.90 H new ATOM 0 HD2 PHE A 22 -1.058 -6.903 3.239 1.00 2.14 H new ATOM 0 HE1 PHE A 22 -5.249 -4.580 2.166 1.00 2.10 H new ATOM 0 HE2 PHE A 22 -1.809 -4.941 4.593 1.00 2.02 H new ATOM 0 HZ PHE A 22 -3.895 -3.803 4.042 1.00 0.87 H new ATOM 334 N GLU A 23 -3.582 -10.236 -1.098 1.00 0.65 N ATOM 335 CA GLU A 23 -3.212 -11.088 -2.215 1.00 0.80 C ATOM 336 C GLU A 23 -2.339 -10.314 -3.205 1.00 1.07 C ATOM 337 O GLU A 23 -2.442 -9.092 -3.306 1.00 2.07 O ATOM 338 CB GLU A 23 -4.453 -11.658 -2.905 1.00 1.02 C ATOM 339 CG GLU A 23 -5.413 -12.272 -1.886 1.00 1.24 C ATOM 340 CD GLU A 23 -6.655 -12.840 -2.577 1.00 1.38 C ATOM 341 OE1 GLU A 23 -7.450 -12.017 -3.081 1.00 2.08 O ATOM 342 OE2 GLU A 23 -6.781 -14.084 -2.586 1.00 2.06 O ATOM 0 H GLU A 23 -4.439 -9.701 -1.236 1.00 0.65 H new ATOM 0 HA GLU A 23 -2.634 -11.928 -1.831 1.00 0.80 H new ATOM 0 HB2 GLU A 23 -4.961 -10.868 -3.458 1.00 1.02 H new ATOM 0 HB3 GLU A 23 -4.155 -12.415 -3.631 1.00 1.02 H new ATOM 0 HG2 GLU A 23 -4.906 -13.063 -1.334 1.00 1.24 H new ATOM 0 HG3 GLU A 23 -5.710 -11.516 -1.159 1.00 1.24 H new ATOM 349 N LEU A 24 -1.499 -11.057 -3.911 1.00 0.78 N ATOM 350 CA LEU A 24 -0.587 -10.454 -4.867 1.00 0.84 C ATOM 351 C LEU A 24 -0.513 -11.331 -6.119 1.00 0.98 C ATOM 352 O LEU A 24 0.091 -12.402 -6.095 1.00 1.55 O ATOM 353 CB LEU A 24 0.774 -10.192 -4.218 1.00 0.98 C ATOM 354 CG LEU A 24 0.978 -8.793 -3.632 1.00 1.31 C ATOM 355 CD1 LEU A 24 1.318 -8.868 -2.142 1.00 1.79 C ATOM 356 CD2 LEU A 24 2.034 -8.017 -4.422 1.00 2.72 C ATOM 0 H LEU A 24 -1.431 -12.072 -3.840 1.00 0.78 H new ATOM 0 HA LEU A 24 -0.957 -9.478 -5.183 1.00 0.84 H new ATOM 0 HB2 LEU A 24 0.922 -10.923 -3.423 1.00 0.98 H new ATOM 0 HB3 LEU A 24 1.550 -10.369 -4.963 1.00 0.98 H new ATOM 0 HG LEU A 24 0.041 -8.244 -3.722 1.00 1.31 H new ATOM 0 HD11 LEU A 24 1.458 -7.861 -1.750 1.00 1.79 H new ATOM 0 HD12 LEU A 24 0.503 -9.356 -1.607 1.00 1.79 H new ATOM 0 HD13 LEU A 24 2.235 -9.441 -2.007 1.00 1.79 H new ATOM 0 HD21 LEU A 24 2.160 -7.026 -3.985 1.00 2.72 H new ATOM 0 HD22 LEU A 24 2.982 -8.553 -4.385 1.00 2.72 H new ATOM 0 HD23 LEU A 24 1.713 -7.918 -5.459 1.00 2.72 H new ATOM 368 N PHE A 25 -1.136 -10.843 -7.181 1.00 0.69 N ATOM 369 CA PHE A 25 -1.245 -11.619 -8.405 1.00 0.71 C ATOM 370 C PHE A 25 0.118 -11.769 -9.083 1.00 0.75 C ATOM 371 O PHE A 25 0.438 -11.027 -10.011 1.00 0.93 O ATOM 372 CB PHE A 25 -2.184 -10.852 -9.338 1.00 0.80 C ATOM 373 CG PHE A 25 -3.583 -10.623 -8.762 1.00 0.75 C ATOM 374 CD1 PHE A 25 -4.380 -11.685 -8.470 1.00 1.90 C ATOM 375 CD2 PHE A 25 -4.030 -9.358 -8.544 1.00 2.07 C ATOM 376 CE1 PHE A 25 -5.679 -11.473 -7.935 1.00 1.83 C ATOM 377 CE2 PHE A 25 -5.328 -9.144 -8.009 1.00 2.26 C ATOM 378 CZ PHE A 25 -6.125 -10.207 -7.716 1.00 1.04 C ATOM 0 H PHE A 25 -1.570 -9.921 -7.220 1.00 0.69 H new ATOM 0 HA PHE A 25 -1.620 -12.617 -8.180 1.00 0.71 H new ATOM 0 HB2 PHE A 25 -1.737 -9.886 -9.573 1.00 0.80 H new ATOM 0 HB3 PHE A 25 -2.274 -11.399 -10.277 1.00 0.80 H new ATOM 0 HD1 PHE A 25 -4.026 -12.690 -8.645 1.00 1.90 H new ATOM 0 HD2 PHE A 25 -3.397 -8.515 -8.778 1.00 2.07 H new ATOM 0 HE1 PHE A 25 -6.312 -12.317 -7.702 1.00 1.83 H new ATOM 0 HE2 PHE A 25 -5.682 -8.139 -7.835 1.00 2.26 H new ATOM 0 HZ PHE A 25 -7.112 -10.045 -7.309 1.00 1.04 H new ATOM 388 N ALA A 26 0.884 -12.733 -8.594 1.00 0.66 N ATOM 389 CA ALA A 26 2.185 -13.021 -9.173 1.00 0.73 C ATOM 390 C ALA A 26 2.010 -13.962 -10.367 1.00 0.96 C ATOM 391 O ALA A 26 2.680 -14.989 -10.455 1.00 2.09 O ATOM 392 CB ALA A 26 3.103 -13.607 -8.099 1.00 0.79 C ATOM 0 H ALA A 26 0.629 -13.325 -7.803 1.00 0.66 H new ATOM 0 HA ALA A 26 2.653 -12.107 -9.539 1.00 0.73 H new ATOM 0 HB1 ALA A 26 4.079 -13.823 -8.533 1.00 0.79 H new ATOM 0 HB2 ALA A 26 3.218 -12.889 -7.287 1.00 0.79 H new ATOM 0 HB3 ALA A 26 2.667 -14.527 -7.710 1.00 0.79 H new ATOM 398 N ASP A 27 1.105 -13.577 -11.254 1.00 1.05 N ATOM 399 CA ASP A 27 0.827 -14.378 -12.434 1.00 1.04 C ATOM 400 C ASP A 27 1.280 -13.617 -13.682 1.00 1.45 C ATOM 401 O ASP A 27 2.002 -14.159 -14.517 1.00 2.05 O ATOM 402 CB ASP A 27 -0.671 -14.658 -12.569 1.00 1.31 C ATOM 403 CG ASP A 27 -1.147 -14.963 -13.991 1.00 1.73 C ATOM 404 OD1 ASP A 27 -0.851 -16.084 -14.460 1.00 1.74 O ATOM 405 OD2 ASP A 27 -1.795 -14.070 -14.578 1.00 2.96 O ATOM 0 H ASP A 27 0.555 -12.721 -11.180 1.00 1.05 H new ATOM 0 HA ASP A 27 1.363 -15.322 -12.334 1.00 1.04 H new ATOM 0 HB2 ASP A 27 -0.927 -15.502 -11.928 1.00 1.31 H new ATOM 0 HB3 ASP A 27 -1.222 -13.795 -12.195 1.00 1.31 H new ATOM 410 N LYS A 28 0.837 -12.371 -13.768 1.00 1.50 N ATOM 411 CA LYS A 28 1.106 -11.561 -14.944 1.00 1.97 C ATOM 412 C LYS A 28 1.995 -10.379 -14.552 1.00 1.62 C ATOM 413 O LYS A 28 2.469 -9.641 -15.414 1.00 1.72 O ATOM 414 CB LYS A 28 -0.202 -11.148 -15.622 1.00 2.56 C ATOM 415 CG LYS A 28 -1.083 -10.340 -14.666 1.00 2.29 C ATOM 416 CD LYS A 28 -2.342 -9.838 -15.375 1.00 3.10 C ATOM 417 CE LYS A 28 -3.205 -11.007 -15.853 1.00 3.18 C ATOM 418 NZ LYS A 28 -3.445 -11.960 -14.747 1.00 3.26 N ATOM 0 H LYS A 28 0.294 -11.903 -13.043 1.00 1.50 H new ATOM 0 HA LYS A 28 1.654 -12.140 -15.687 1.00 1.97 H new ATOM 0 HB2 LYS A 28 0.016 -10.555 -16.510 1.00 2.56 H new ATOM 0 HB3 LYS A 28 -0.739 -12.036 -15.955 1.00 2.56 H new ATOM 0 HG2 LYS A 28 -1.363 -10.958 -13.813 1.00 2.29 H new ATOM 0 HG3 LYS A 28 -0.520 -9.493 -14.274 1.00 2.29 H new ATOM 0 HD2 LYS A 28 -2.919 -9.209 -14.697 1.00 3.10 H new ATOM 0 HD3 LYS A 28 -2.061 -9.217 -16.226 1.00 3.10 H new ATOM 0 HE2 LYS A 28 -4.156 -10.633 -16.232 1.00 3.18 H new ATOM 0 HE3 LYS A 28 -2.711 -11.517 -16.680 1.00 3.18 H new ATOM 0 HZ1 LYS A 28 -4.297 -12.521 -14.951 1.00 3.26 H new ATOM 0 HZ2 LYS A 28 -2.627 -12.595 -14.652 1.00 3.26 H new ATOM 0 HZ3 LYS A 28 -3.581 -11.435 -13.860 1.00 3.26 H new ATOM 432 N VAL A 29 2.195 -10.237 -13.250 1.00 1.31 N ATOM 433 CA VAL A 29 2.996 -9.141 -12.731 1.00 1.05 C ATOM 434 C VAL A 29 3.900 -9.661 -11.613 1.00 0.95 C ATOM 435 O VAL A 29 3.757 -9.264 -10.458 1.00 0.87 O ATOM 436 CB VAL A 29 2.086 -7.995 -12.280 1.00 0.84 C ATOM 437 CG1 VAL A 29 1.536 -7.227 -13.483 1.00 0.88 C ATOM 438 CG2 VAL A 29 0.952 -8.513 -11.394 1.00 1.00 C ATOM 0 H VAL A 29 1.816 -10.863 -12.539 1.00 1.31 H new ATOM 0 HA VAL A 29 3.642 -8.738 -13.511 1.00 1.05 H new ATOM 0 HB VAL A 29 2.685 -7.304 -11.687 1.00 0.84 H new ATOM 0 HG11 VAL A 29 0.893 -6.419 -13.135 1.00 0.88 H new ATOM 0 HG12 VAL A 29 2.363 -6.811 -14.058 1.00 0.88 H new ATOM 0 HG13 VAL A 29 0.960 -7.904 -14.114 1.00 0.88 H new ATOM 0 HG21 VAL A 29 0.320 -7.679 -11.087 1.00 1.00 H new ATOM 0 HG22 VAL A 29 0.355 -9.235 -11.952 1.00 1.00 H new ATOM 0 HG23 VAL A 29 1.371 -8.995 -10.511 1.00 1.00 H new ATOM 448 N PRO A 30 4.837 -10.566 -12.006 1.00 1.06 N ATOM 449 CA PRO A 30 5.681 -11.239 -11.033 1.00 1.06 C ATOM 450 C PRO A 30 6.764 -10.298 -10.501 1.00 1.29 C ATOM 451 O PRO A 30 7.062 -10.301 -9.307 1.00 2.46 O ATOM 452 CB PRO A 30 6.249 -12.441 -11.770 1.00 1.22 C ATOM 453 CG PRO A 30 6.076 -12.142 -13.250 1.00 1.38 C ATOM 454 CD PRO A 30 5.116 -10.970 -13.380 1.00 1.31 C ATOM 0 HA PRO A 30 5.131 -11.555 -10.147 1.00 1.06 H new ATOM 0 HB2 PRO A 30 7.300 -12.590 -11.522 1.00 1.22 H new ATOM 0 HB3 PRO A 30 5.723 -13.354 -11.492 1.00 1.22 H new ATOM 0 HG2 PRO A 30 7.036 -11.901 -13.706 1.00 1.38 H new ATOM 0 HG3 PRO A 30 5.685 -13.015 -13.773 1.00 1.38 H new ATOM 0 HD2 PRO A 30 5.561 -10.155 -13.950 1.00 1.31 H new ATOM 0 HD3 PRO A 30 4.204 -11.261 -13.900 1.00 1.31 H new ATOM 462 N LYS A 31 7.322 -9.515 -11.413 1.00 1.07 N ATOM 463 CA LYS A 31 8.439 -8.650 -11.073 1.00 1.14 C ATOM 464 C LYS A 31 8.039 -7.740 -9.910 1.00 1.14 C ATOM 465 O LYS A 31 8.731 -7.684 -8.895 1.00 1.26 O ATOM 466 CB LYS A 31 8.924 -7.890 -12.310 1.00 1.28 C ATOM 467 CG LYS A 31 9.626 -8.831 -13.291 1.00 2.30 C ATOM 468 CD LYS A 31 11.061 -9.117 -12.844 1.00 3.33 C ATOM 469 CE LYS A 31 11.888 -9.697 -13.994 1.00 4.16 C ATOM 470 NZ LYS A 31 11.332 -10.999 -14.426 1.00 5.38 N ATOM 0 H LYS A 31 7.022 -9.462 -12.386 1.00 1.07 H new ATOM 0 HA LYS A 31 9.290 -9.242 -10.737 1.00 1.14 H new ATOM 0 HB2 LYS A 31 8.077 -7.411 -12.802 1.00 1.28 H new ATOM 0 HB3 LYS A 31 9.608 -7.097 -12.009 1.00 1.28 H new ATOM 0 HG2 LYS A 31 9.071 -9.766 -13.364 1.00 2.30 H new ATOM 0 HG3 LYS A 31 9.633 -8.386 -14.286 1.00 2.30 H new ATOM 0 HD2 LYS A 31 11.524 -8.198 -12.486 1.00 3.33 H new ATOM 0 HD3 LYS A 31 11.053 -9.817 -12.008 1.00 3.33 H new ATOM 0 HE2 LYS A 31 11.894 -9.001 -14.833 1.00 4.16 H new ATOM 0 HE3 LYS A 31 12.923 -9.824 -13.678 1.00 4.16 H new ATOM 0 HZ1 LYS A 31 11.978 -11.442 -15.110 1.00 5.38 H new ATOM 0 HZ2 LYS A 31 11.223 -11.621 -13.600 1.00 5.38 H new ATOM 0 HZ3 LYS A 31 10.405 -10.850 -14.872 1.00 5.38 H new ATOM 484 N THR A 32 6.923 -7.050 -10.097 1.00 1.12 N ATOM 485 CA THR A 32 6.452 -6.106 -9.098 1.00 1.17 C ATOM 486 C THR A 32 5.975 -6.846 -7.848 1.00 0.98 C ATOM 487 O THR A 32 6.284 -6.442 -6.727 1.00 1.11 O ATOM 488 CB THR A 32 5.367 -5.240 -9.743 1.00 1.31 C ATOM 489 OG1 THR A 32 5.984 -4.728 -10.920 1.00 1.65 O ATOM 490 CG2 THR A 32 5.048 -3.991 -8.917 1.00 1.34 C ATOM 0 H THR A 32 6.332 -7.126 -10.925 1.00 1.12 H new ATOM 0 HA THR A 32 7.256 -5.451 -8.762 1.00 1.17 H new ATOM 0 HB THR A 32 4.461 -5.832 -9.873 1.00 1.31 H new ATOM 0 HG1 THR A 32 5.988 -5.420 -11.614 1.00 1.65 H new ATOM 0 HG21 THR A 32 4.273 -3.412 -9.418 1.00 1.34 H new ATOM 0 HG22 THR A 32 4.697 -4.288 -7.929 1.00 1.34 H new ATOM 0 HG23 THR A 32 5.947 -3.383 -8.815 1.00 1.34 H new ATOM 498 N ALA A 33 5.230 -7.917 -8.079 1.00 0.79 N ATOM 499 CA ALA A 33 4.611 -8.648 -6.988 1.00 0.66 C ATOM 500 C ALA A 33 5.685 -9.054 -5.978 1.00 0.58 C ATOM 501 O ALA A 33 5.579 -8.740 -4.794 1.00 0.66 O ATOM 502 CB ALA A 33 3.851 -9.853 -7.547 1.00 0.76 C ATOM 0 H ALA A 33 5.041 -8.296 -9.007 1.00 0.79 H new ATOM 0 HA ALA A 33 3.889 -8.020 -6.467 1.00 0.66 H new ATOM 0 HB1 ALA A 33 3.386 -10.402 -6.728 1.00 0.76 H new ATOM 0 HB2 ALA A 33 3.080 -9.509 -8.237 1.00 0.76 H new ATOM 0 HB3 ALA A 33 4.544 -10.508 -8.075 1.00 0.76 H new ATOM 508 N GLU A 34 6.695 -9.747 -6.483 1.00 0.84 N ATOM 509 CA GLU A 34 7.735 -10.289 -5.623 1.00 1.14 C ATOM 510 C GLU A 34 8.545 -9.156 -4.991 1.00 1.02 C ATOM 511 O GLU A 34 8.735 -9.126 -3.777 1.00 0.90 O ATOM 512 CB GLU A 34 8.642 -11.247 -6.397 1.00 1.83 C ATOM 513 CG GLU A 34 9.665 -11.905 -5.470 1.00 2.17 C ATOM 514 CD GLU A 34 10.477 -12.967 -6.213 1.00 2.45 C ATOM 515 OE1 GLU A 34 9.979 -14.111 -6.290 1.00 3.83 O ATOM 516 OE2 GLU A 34 11.577 -12.611 -6.689 1.00 2.56 O ATOM 0 H GLU A 34 6.816 -9.946 -7.476 1.00 0.84 H new ATOM 0 HA GLU A 34 7.259 -10.858 -4.824 1.00 1.14 H new ATOM 0 HB2 GLU A 34 8.038 -12.015 -6.880 1.00 1.83 H new ATOM 0 HB3 GLU A 34 9.159 -10.704 -7.188 1.00 1.83 H new ATOM 0 HG2 GLU A 34 10.336 -11.146 -5.066 1.00 2.17 H new ATOM 0 HG3 GLU A 34 9.153 -12.361 -4.623 1.00 2.17 H new ATOM 523 N ASN A 35 9.003 -8.251 -5.844 1.00 1.42 N ATOM 524 CA ASN A 35 9.821 -7.140 -5.390 1.00 1.75 C ATOM 525 C ASN A 35 9.176 -6.510 -4.154 1.00 1.63 C ATOM 526 O ASN A 35 9.854 -6.247 -3.161 1.00 2.14 O ATOM 527 CB ASN A 35 9.932 -6.060 -6.468 1.00 2.25 C ATOM 528 CG ASN A 35 10.490 -4.760 -5.886 1.00 2.15 C ATOM 529 OD1 ASN A 35 11.523 -4.733 -5.237 1.00 3.00 O ATOM 530 ND2 ASN A 35 9.752 -3.687 -6.153 1.00 2.21 N ATOM 0 H ASN A 35 8.823 -8.265 -6.848 1.00 1.42 H new ATOM 0 HA ASN A 35 10.815 -7.524 -5.162 1.00 1.75 H new ATOM 0 HB2 ASN A 35 10.579 -6.409 -7.273 1.00 2.25 H new ATOM 0 HB3 ASN A 35 8.951 -5.875 -6.905 1.00 2.25 H new ATOM 0 HD21 ASN A 35 10.040 -2.771 -5.808 1.00 2.21 H new ATOM 0 HD22 ASN A 35 8.898 -3.780 -6.702 1.00 2.21 H new ATOM 537 N PHE A 36 7.874 -6.286 -4.253 1.00 1.40 N ATOM 538 CA PHE A 36 7.152 -5.583 -3.207 1.00 1.67 C ATOM 539 C PHE A 36 6.821 -6.521 -2.044 1.00 1.34 C ATOM 540 O PHE A 36 6.930 -6.135 -0.881 1.00 1.56 O ATOM 541 CB PHE A 36 5.849 -5.075 -3.825 1.00 2.10 C ATOM 542 CG PHE A 36 5.960 -3.688 -4.462 1.00 4.03 C ATOM 543 CD1 PHE A 36 6.687 -3.517 -5.598 1.00 5.92 C ATOM 544 CD2 PHE A 36 5.332 -2.626 -3.889 1.00 4.39 C ATOM 545 CE1 PHE A 36 6.790 -2.230 -6.188 1.00 7.81 C ATOM 546 CE2 PHE A 36 5.435 -1.338 -4.480 1.00 6.23 C ATOM 547 CZ PHE A 36 6.162 -1.167 -5.616 1.00 7.79 C ATOM 0 H PHE A 36 7.300 -6.580 -5.043 1.00 1.40 H new ATOM 0 HA PHE A 36 7.762 -4.767 -2.818 1.00 1.67 H new ATOM 0 HB2 PHE A 36 5.517 -5.785 -4.582 1.00 2.10 H new ATOM 0 HB3 PHE A 36 5.079 -5.048 -3.054 1.00 2.10 H new ATOM 0 HD1 PHE A 36 7.186 -4.360 -6.052 1.00 5.92 H new ATOM 0 HD2 PHE A 36 4.756 -2.762 -2.986 1.00 4.39 H new ATOM 0 HE1 PHE A 36 7.367 -2.095 -7.091 1.00 7.81 H new ATOM 0 HE2 PHE A 36 4.936 -0.495 -4.027 1.00 6.23 H new ATOM 0 HZ PHE A 36 6.241 -0.188 -6.064 1.00 7.79 H new ATOM 557 N ARG A 37 6.422 -7.732 -2.399 1.00 1.07 N ATOM 558 CA ARG A 37 6.057 -8.723 -1.401 1.00 1.36 C ATOM 559 C ARG A 37 7.230 -8.974 -0.450 1.00 1.24 C ATOM 560 O ARG A 37 7.029 -9.326 0.712 1.00 1.58 O ATOM 561 CB ARG A 37 5.650 -10.043 -2.057 1.00 1.54 C ATOM 562 CG ARG A 37 5.084 -11.018 -1.023 1.00 2.49 C ATOM 563 CD ARG A 37 4.763 -12.371 -1.662 1.00 2.82 C ATOM 564 NE ARG A 37 3.454 -12.309 -2.349 1.00 4.28 N ATOM 565 CZ ARG A 37 3.292 -12.450 -3.671 1.00 4.78 C ATOM 566 NH1 ARG A 37 4.295 -12.142 -4.505 1.00 4.77 N ATOM 567 NH2 ARG A 37 2.128 -12.899 -4.160 1.00 6.08 N ATOM 0 H ARG A 37 6.343 -8.051 -3.365 1.00 1.07 H new ATOM 0 HA ARG A 37 5.207 -8.333 -0.841 1.00 1.36 H new ATOM 0 HB2 ARG A 37 4.905 -9.854 -2.830 1.00 1.54 H new ATOM 0 HB3 ARG A 37 6.514 -10.490 -2.549 1.00 1.54 H new ATOM 0 HG2 ARG A 37 5.803 -11.155 -0.215 1.00 2.49 H new ATOM 0 HG3 ARG A 37 4.181 -10.599 -0.578 1.00 2.49 H new ATOM 0 HD2 ARG A 37 5.544 -12.641 -2.373 1.00 2.82 H new ATOM 0 HD3 ARG A 37 4.745 -13.148 -0.898 1.00 2.82 H new ATOM 0 HE ARG A 37 2.623 -12.149 -1.780 1.00 4.28 H new ATOM 0 HH11 ARG A 37 5.181 -11.800 -4.133 1.00 4.77 H new ATOM 0 HH12 ARG A 37 4.172 -12.249 -5.512 1.00 4.77 H new ATOM 0 HH21 ARG A 37 1.365 -13.134 -3.525 1.00 6.08 H new ATOM 0 HH22 ARG A 37 2.005 -13.006 -5.167 1.00 6.08 H new ATOM 581 N ALA A 38 8.430 -8.785 -0.979 1.00 0.93 N ATOM 582 CA ALA A 38 9.637 -9.061 -0.217 1.00 1.08 C ATOM 583 C ALA A 38 9.638 -8.206 1.052 1.00 1.13 C ATOM 584 O ALA A 38 10.226 -8.591 2.063 1.00 1.27 O ATOM 585 CB ALA A 38 10.864 -8.805 -1.093 1.00 1.12 C ATOM 0 H ALA A 38 8.593 -8.444 -1.926 1.00 0.93 H new ATOM 0 HA ALA A 38 9.668 -10.107 0.089 1.00 1.08 H new ATOM 0 HB1 ALA A 38 11.769 -9.012 -0.521 1.00 1.12 H new ATOM 0 HB2 ALA A 38 10.830 -9.456 -1.966 1.00 1.12 H new ATOM 0 HB3 ALA A 38 10.869 -7.764 -1.416 1.00 1.12 H new ATOM 591 N LEU A 39 8.974 -7.064 0.959 1.00 1.07 N ATOM 592 CA LEU A 39 8.944 -6.124 2.066 1.00 1.17 C ATOM 593 C LEU A 39 8.410 -6.829 3.314 1.00 1.24 C ATOM 594 O LEU A 39 8.857 -6.553 4.427 1.00 1.46 O ATOM 595 CB LEU A 39 8.157 -4.869 1.683 1.00 1.34 C ATOM 596 CG LEU A 39 8.883 -3.871 0.780 1.00 1.44 C ATOM 597 CD1 LEU A 39 7.887 -2.992 0.021 1.00 1.57 C ATOM 598 CD2 LEU A 39 9.887 -3.038 1.581 1.00 1.96 C ATOM 0 H LEU A 39 8.452 -6.768 0.134 1.00 1.07 H new ATOM 0 HA LEU A 39 9.951 -5.780 2.301 1.00 1.17 H new ATOM 0 HB2 LEU A 39 7.239 -5.179 1.184 1.00 1.34 H new ATOM 0 HB3 LEU A 39 7.865 -4.354 2.598 1.00 1.34 H new ATOM 0 HG LEU A 39 9.449 -4.432 0.036 1.00 1.44 H new ATOM 0 HD11 LEU A 39 8.430 -2.291 -0.614 1.00 1.57 H new ATOM 0 HD12 LEU A 39 7.245 -3.620 -0.597 1.00 1.57 H new ATOM 0 HD13 LEU A 39 7.275 -2.438 0.733 1.00 1.57 H new ATOM 0 HD21 LEU A 39 10.390 -2.336 0.916 1.00 1.96 H new ATOM 0 HD22 LEU A 39 9.362 -2.486 2.361 1.00 1.96 H new ATOM 0 HD23 LEU A 39 10.625 -3.698 2.037 1.00 1.96 H new ATOM 610 N SER A 40 7.460 -7.725 3.088 1.00 1.21 N ATOM 611 CA SER A 40 6.820 -8.430 4.185 1.00 1.32 C ATOM 612 C SER A 40 7.806 -9.413 4.821 1.00 1.36 C ATOM 613 O SER A 40 7.792 -9.613 6.034 1.00 1.66 O ATOM 614 CB SER A 40 5.567 -9.168 3.710 1.00 1.40 C ATOM 615 OG SER A 40 4.828 -9.719 4.795 1.00 2.83 O ATOM 0 H SER A 40 7.118 -7.979 2.161 1.00 1.21 H new ATOM 0 HA SER A 40 6.515 -7.696 4.931 1.00 1.32 H new ATOM 0 HB2 SER A 40 4.932 -8.481 3.151 1.00 1.40 H new ATOM 0 HB3 SER A 40 5.854 -9.966 3.025 1.00 1.40 H new ATOM 0 HG SER A 40 4.409 -10.559 4.513 1.00 2.83 H new ATOM 621 N THR A 41 8.637 -9.999 3.972 1.00 1.23 N ATOM 622 CA THR A 41 9.570 -11.019 4.423 1.00 1.45 C ATOM 623 C THR A 41 11.010 -10.522 4.283 1.00 1.65 C ATOM 624 O THR A 41 11.890 -11.269 3.857 1.00 2.45 O ATOM 625 CB THR A 41 9.290 -12.299 3.633 1.00 1.58 C ATOM 626 OG1 THR A 41 10.003 -13.307 4.342 1.00 2.18 O ATOM 627 CG2 THR A 41 9.939 -12.286 2.248 1.00 1.74 C ATOM 0 H THR A 41 8.684 -9.788 2.975 1.00 1.23 H new ATOM 0 HA THR A 41 9.435 -11.238 5.482 1.00 1.45 H new ATOM 0 HB THR A 41 8.213 -12.432 3.527 1.00 1.58 H new ATOM 0 HG1 THR A 41 10.956 -13.078 4.367 1.00 2.18 H new ATOM 0 HG21 THR A 41 9.709 -13.217 1.730 1.00 1.74 H new ATOM 0 HG22 THR A 41 9.552 -11.445 1.673 1.00 1.74 H new ATOM 0 HG23 THR A 41 11.019 -12.187 2.353 1.00 1.74 H new ATOM 635 N GLY A 42 11.207 -9.264 4.651 1.00 1.59 N ATOM 636 CA GLY A 42 12.486 -8.612 4.431 1.00 1.83 C ATOM 637 C GLY A 42 13.500 -9.015 5.503 1.00 2.50 C ATOM 638 O GLY A 42 14.027 -8.163 6.216 1.00 3.37 O ATOM 0 H GLY A 42 10.502 -8.680 5.100 1.00 1.59 H new ATOM 0 HA2 GLY A 42 12.869 -8.878 3.446 1.00 1.83 H new ATOM 0 HA3 GLY A 42 12.353 -7.530 4.440 1.00 1.83 H new ATOM 642 N GLU A 43 13.743 -10.315 5.584 1.00 2.80 N ATOM 643 CA GLU A 43 14.846 -10.823 6.380 1.00 3.86 C ATOM 644 C GLU A 43 16.095 -10.988 5.511 1.00 4.05 C ATOM 645 O GLU A 43 16.409 -12.095 5.075 1.00 4.87 O ATOM 646 CB GLU A 43 14.472 -12.140 7.061 1.00 5.07 C ATOM 647 CG GLU A 43 13.183 -11.991 7.873 1.00 6.24 C ATOM 648 CD GLU A 43 13.332 -10.908 8.942 1.00 7.53 C ATOM 649 OE1 GLU A 43 14.340 -10.970 9.678 1.00 8.38 O ATOM 650 OE2 GLU A 43 12.433 -10.040 8.999 1.00 8.20 O ATOM 0 H GLU A 43 13.194 -11.032 5.110 1.00 2.80 H new ATOM 0 HA GLU A 43 15.066 -10.099 7.164 1.00 3.86 H new ATOM 0 HB2 GLU A 43 14.344 -12.919 6.309 1.00 5.07 H new ATOM 0 HB3 GLU A 43 15.283 -12.458 7.715 1.00 5.07 H new ATOM 0 HG2 GLU A 43 12.357 -11.740 7.208 1.00 6.24 H new ATOM 0 HG3 GLU A 43 12.934 -12.941 8.345 1.00 6.24 H new ATOM 657 N LYS A 44 16.774 -9.873 5.286 1.00 3.87 N ATOM 658 CA LYS A 44 17.835 -9.830 4.296 1.00 4.06 C ATOM 659 C LYS A 44 18.643 -8.542 4.476 1.00 3.98 C ATOM 660 O LYS A 44 19.869 -8.558 4.384 1.00 4.69 O ATOM 661 CB LYS A 44 17.263 -10.006 2.888 1.00 4.14 C ATOM 662 CG LYS A 44 16.115 -9.025 2.638 1.00 4.37 C ATOM 663 CD LYS A 44 15.504 -9.240 1.251 1.00 4.23 C ATOM 664 CE LYS A 44 16.553 -9.046 0.154 1.00 3.54 C ATOM 665 NZ LYS A 44 15.907 -8.645 -1.115 1.00 3.66 N ATOM 0 H LYS A 44 16.609 -8.992 5.773 1.00 3.87 H new ATOM 0 HA LYS A 44 18.524 -10.662 4.440 1.00 4.06 H new ATOM 0 HB2 LYS A 44 18.049 -9.848 2.150 1.00 4.14 H new ATOM 0 HB3 LYS A 44 16.907 -11.028 2.761 1.00 4.14 H new ATOM 0 HG2 LYS A 44 15.348 -9.155 3.402 1.00 4.37 H new ATOM 0 HG3 LYS A 44 16.481 -8.002 2.724 1.00 4.37 H new ATOM 0 HD2 LYS A 44 15.086 -10.244 1.186 1.00 4.23 H new ATOM 0 HD3 LYS A 44 14.681 -8.541 1.100 1.00 4.23 H new ATOM 0 HE2 LYS A 44 17.271 -8.285 0.460 1.00 3.54 H new ATOM 0 HE3 LYS A 44 17.111 -9.971 0.009 1.00 3.54 H new ATOM 0 HZ1 LYS A 44 16.607 -8.182 -1.729 1.00 3.66 H new ATOM 0 HZ2 LYS A 44 15.530 -9.488 -1.594 1.00 3.66 H new ATOM 0 HZ3 LYS A 44 15.130 -7.983 -0.915 1.00 3.66 H new ATOM 679 N GLY A 45 17.921 -7.461 4.729 1.00 3.43 N ATOM 680 CA GLY A 45 18.557 -6.172 4.949 1.00 3.83 C ATOM 681 C GLY A 45 17.514 -5.059 5.067 1.00 3.27 C ATOM 682 O GLY A 45 17.650 -4.162 5.898 1.00 4.13 O ATOM 0 H GLY A 45 16.903 -7.450 4.787 1.00 3.43 H new ATOM 0 HA2 GLY A 45 19.158 -6.210 5.857 1.00 3.83 H new ATOM 0 HA3 GLY A 45 19.237 -5.953 4.126 1.00 3.83 H new ATOM 686 N PHE A 46 16.495 -5.154 4.225 1.00 2.21 N ATOM 687 CA PHE A 46 15.452 -4.144 4.195 1.00 2.04 C ATOM 688 C PHE A 46 14.120 -4.716 4.687 1.00 1.89 C ATOM 689 O PHE A 46 14.086 -5.785 5.294 1.00 2.75 O ATOM 690 CB PHE A 46 15.298 -3.703 2.739 1.00 2.62 C ATOM 691 CG PHE A 46 14.180 -4.425 1.985 1.00 2.80 C ATOM 692 CD1 PHE A 46 13.990 -5.760 2.163 1.00 4.12 C ATOM 693 CD2 PHE A 46 13.373 -3.731 1.137 1.00 3.20 C ATOM 694 CE1 PHE A 46 12.952 -6.430 1.464 1.00 5.29 C ATOM 695 CE2 PHE A 46 12.335 -4.402 0.437 1.00 4.31 C ATOM 696 CZ PHE A 46 12.146 -5.737 0.616 1.00 5.17 C ATOM 0 H PHE A 46 16.370 -5.916 3.558 1.00 2.21 H new ATOM 0 HA PHE A 46 15.721 -3.312 4.845 1.00 2.04 H new ATOM 0 HB2 PHE A 46 15.106 -2.630 2.713 1.00 2.62 H new ATOM 0 HB3 PHE A 46 16.241 -3.870 2.218 1.00 2.62 H new ATOM 0 HD1 PHE A 46 14.630 -6.311 2.837 1.00 4.12 H new ATOM 0 HD2 PHE A 46 13.522 -2.671 0.996 1.00 3.20 H new ATOM 0 HE1 PHE A 46 12.802 -7.490 1.606 1.00 5.29 H new ATOM 0 HE2 PHE A 46 11.696 -3.852 -0.238 1.00 4.31 H new ATOM 0 HZ PHE A 46 11.356 -6.247 0.085 1.00 5.17 H new ATOM 706 N GLY A 47 13.056 -3.978 4.405 1.00 1.81 N ATOM 707 CA GLY A 47 11.730 -4.382 4.839 1.00 1.75 C ATOM 708 C GLY A 47 11.108 -3.326 5.755 1.00 1.88 C ATOM 709 O GLY A 47 11.811 -2.677 6.528 1.00 2.83 O ATOM 0 H GLY A 47 13.086 -3.103 3.882 1.00 1.81 H new ATOM 0 HA2 GLY A 47 11.091 -4.537 3.970 1.00 1.75 H new ATOM 0 HA3 GLY A 47 11.790 -5.335 5.365 1.00 1.75 H new ATOM 713 N TYR A 48 9.795 -3.187 5.639 1.00 1.44 N ATOM 714 CA TYR A 48 9.073 -2.209 6.435 1.00 1.82 C ATOM 715 C TYR A 48 9.406 -2.358 7.921 1.00 1.80 C ATOM 716 O TYR A 48 10.069 -1.500 8.501 1.00 3.42 O ATOM 717 CB TYR A 48 7.587 -2.508 6.225 1.00 2.02 C ATOM 718 CG TYR A 48 7.015 -1.936 4.927 1.00 2.90 C ATOM 719 CD1 TYR A 48 7.230 -0.611 4.603 1.00 4.23 C ATOM 720 CD2 TYR A 48 6.283 -2.743 4.080 1.00 3.44 C ATOM 721 CE1 TYR A 48 6.691 -0.072 3.381 1.00 5.31 C ATOM 722 CE2 TYR A 48 5.744 -2.204 2.859 1.00 4.65 C ATOM 723 CZ TYR A 48 5.975 -0.895 2.569 1.00 5.27 C ATOM 724 OH TYR A 48 5.465 -0.385 1.416 1.00 6.52 O ATOM 0 H TYR A 48 9.213 -3.735 5.006 1.00 1.44 H new ATOM 0 HA TYR A 48 9.342 -1.196 6.135 1.00 1.82 H new ATOM 0 HB2 TYR A 48 7.440 -3.588 6.230 1.00 2.02 H new ATOM 0 HB3 TYR A 48 7.023 -2.106 7.067 1.00 2.02 H new ATOM 0 HD1 TYR A 48 7.802 0.021 5.266 1.00 4.23 H new ATOM 0 HD2 TYR A 48 6.115 -3.779 4.333 1.00 3.44 H new ATOM 0 HE1 TYR A 48 6.852 0.962 3.116 1.00 5.31 H new ATOM 0 HE2 TYR A 48 5.169 -2.825 2.188 1.00 4.65 H new ATOM 0 HH TYR A 48 6.168 0.095 0.931 1.00 6.52 H new ATOM 734 N LYS A 49 8.930 -3.453 8.494 1.00 1.26 N ATOM 735 CA LYS A 49 9.171 -3.726 9.901 1.00 1.54 C ATOM 736 C LYS A 49 8.975 -2.440 10.706 1.00 1.87 C ATOM 737 O LYS A 49 9.946 -1.805 11.115 1.00 1.82 O ATOM 738 CB LYS A 49 10.545 -4.369 10.094 1.00 1.49 C ATOM 739 CG LYS A 49 10.639 -5.065 11.453 1.00 1.84 C ATOM 740 CD LYS A 49 11.263 -6.455 11.316 1.00 3.04 C ATOM 741 CE LYS A 49 10.226 -7.477 10.846 1.00 3.55 C ATOM 742 NZ LYS A 49 10.865 -8.791 10.607 1.00 5.27 N ATOM 0 H LYS A 49 8.379 -4.162 8.010 1.00 1.26 H new ATOM 0 HA LYS A 49 8.450 -4.451 10.278 1.00 1.54 H new ATOM 0 HB2 LYS A 49 10.727 -5.091 9.298 1.00 1.49 H new ATOM 0 HB3 LYS A 49 11.321 -3.607 10.017 1.00 1.49 H new ATOM 0 HG2 LYS A 49 11.237 -4.460 12.135 1.00 1.84 H new ATOM 0 HG3 LYS A 49 9.645 -5.151 11.891 1.00 1.84 H new ATOM 0 HD2 LYS A 49 12.090 -6.418 10.607 1.00 3.04 H new ATOM 0 HD3 LYS A 49 11.678 -6.767 12.274 1.00 3.04 H new ATOM 0 HE2 LYS A 49 9.441 -7.579 11.595 1.00 3.55 H new ATOM 0 HE3 LYS A 49 9.749 -7.126 9.931 1.00 3.55 H new ATOM 0 HZ1 LYS A 49 10.131 -9.511 10.454 1.00 5.27 H new ATOM 0 HZ2 LYS A 49 11.474 -8.733 9.766 1.00 5.27 H new ATOM 0 HZ3 LYS A 49 11.440 -9.053 11.433 1.00 5.27 H new ATOM 756 N GLY A 50 7.713 -2.095 10.912 1.00 2.58 N ATOM 757 CA GLY A 50 7.377 -0.877 11.629 1.00 3.22 C ATOM 758 C GLY A 50 6.633 0.106 10.723 1.00 2.89 C ATOM 759 O GLY A 50 5.635 0.698 11.131 1.00 4.04 O ATOM 0 H GLY A 50 6.910 -2.638 10.595 1.00 2.58 H new ATOM 0 HA2 GLY A 50 6.759 -1.119 12.494 1.00 3.22 H new ATOM 0 HA3 GLY A 50 8.287 -0.411 12.007 1.00 3.22 H new ATOM 763 N SER A 51 7.147 0.249 9.510 1.00 2.15 N ATOM 764 CA SER A 51 6.596 1.212 8.573 1.00 2.68 C ATOM 765 C SER A 51 6.105 2.451 9.323 1.00 1.79 C ATOM 766 O SER A 51 6.721 2.874 10.300 1.00 2.43 O ATOM 767 CB SER A 51 5.456 0.599 7.758 1.00 4.20 C ATOM 768 OG SER A 51 4.930 1.514 6.801 1.00 5.02 O ATOM 0 H SER A 51 7.939 -0.286 9.155 1.00 2.15 H new ATOM 0 HA SER A 51 7.385 1.504 7.880 1.00 2.68 H new ATOM 0 HB2 SER A 51 5.816 -0.293 7.246 1.00 4.20 H new ATOM 0 HB3 SER A 51 4.660 0.281 8.431 1.00 4.20 H new ATOM 0 HG SER A 51 3.956 1.414 6.754 1.00 5.02 H new ATOM 774 N CYS A 52 5.000 2.999 8.839 1.00 1.91 N ATOM 775 CA CYS A 52 4.393 4.153 9.479 1.00 1.63 C ATOM 776 C CYS A 52 3.318 4.712 8.545 1.00 1.40 C ATOM 777 O CYS A 52 2.288 5.204 9.002 1.00 2.48 O ATOM 778 CB CYS A 52 5.436 5.210 9.847 1.00 2.71 C ATOM 779 SG CYS A 52 6.590 5.462 8.449 1.00 4.60 S ATOM 0 H CYS A 52 4.509 2.664 8.010 1.00 1.91 H new ATOM 0 HA CYS A 52 3.933 3.849 10.419 1.00 1.63 H new ATOM 0 HB2 CYS A 52 4.942 6.149 10.096 1.00 2.71 H new ATOM 0 HB3 CYS A 52 5.988 4.896 10.733 1.00 2.71 H new ATOM 0 HG CYS A 52 7.471 6.363 8.770 1.00 4.60 H new ATOM 785 N PHE A 53 3.596 4.616 7.252 1.00 2.29 N ATOM 786 CA PHE A 53 2.701 5.172 6.252 1.00 2.36 C ATOM 787 C PHE A 53 2.674 6.700 6.329 1.00 1.57 C ATOM 788 O PHE A 53 3.059 7.282 7.342 1.00 1.69 O ATOM 789 CB PHE A 53 1.301 4.634 6.555 1.00 3.14 C ATOM 790 CG PHE A 53 1.262 3.133 6.849 1.00 4.39 C ATOM 791 CD1 PHE A 53 2.056 2.282 6.146 1.00 5.79 C ATOM 792 CD2 PHE A 53 0.432 2.650 7.812 1.00 4.86 C ATOM 793 CE1 PHE A 53 2.020 0.889 6.418 1.00 7.23 C ATOM 794 CE2 PHE A 53 0.396 1.257 8.084 1.00 6.53 C ATOM 795 CZ PHE A 53 1.190 0.406 7.382 1.00 7.50 C ATOM 0 H PHE A 53 4.428 4.162 6.875 1.00 2.29 H new ATOM 0 HA PHE A 53 3.038 4.891 5.254 1.00 2.36 H new ATOM 0 HB2 PHE A 53 0.893 5.172 7.411 1.00 3.14 H new ATOM 0 HB3 PHE A 53 0.650 4.845 5.706 1.00 3.14 H new ATOM 0 HD1 PHE A 53 2.714 2.666 5.381 1.00 5.79 H new ATOM 0 HD2 PHE A 53 -0.199 3.326 8.370 1.00 4.86 H new ATOM 0 HE1 PHE A 53 2.651 0.213 5.860 1.00 7.23 H new ATOM 0 HE2 PHE A 53 -0.263 0.873 8.849 1.00 6.53 H new ATOM 0 HZ PHE A 53 1.162 -0.654 7.589 1.00 7.50 H new ATOM 805 N HIS A 54 2.218 7.307 5.243 1.00 1.61 N ATOM 806 CA HIS A 54 2.390 8.737 5.057 1.00 1.54 C ATOM 807 C HIS A 54 1.183 9.480 5.635 1.00 1.39 C ATOM 808 O HIS A 54 1.313 10.214 6.613 1.00 2.09 O ATOM 809 CB HIS A 54 2.640 9.067 3.584 1.00 2.29 C ATOM 810 CG HIS A 54 3.521 8.070 2.871 1.00 1.98 C ATOM 811 ND1 HIS A 54 3.457 7.853 1.506 1.00 2.04 N ATOM 812 CD2 HIS A 54 4.487 7.233 3.349 1.00 2.81 C ATOM 813 CE1 HIS A 54 4.349 6.927 1.187 1.00 2.22 C ATOM 814 NE2 HIS A 54 4.985 6.543 2.331 1.00 3.08 N ATOM 0 H HIS A 54 1.729 6.834 4.483 1.00 1.61 H new ATOM 0 HA HIS A 54 3.273 9.074 5.600 1.00 1.54 H new ATOM 0 HB2 HIS A 54 1.682 9.124 3.068 1.00 2.29 H new ATOM 0 HB3 HIS A 54 3.098 10.054 3.516 1.00 2.29 H new ATOM 0 HD1 HIS A 54 2.829 8.326 0.856 1.00 2.04 H new ATOM 0 HD2 HIS A 54 4.794 7.147 4.381 1.00 2.81 H new ATOM 0 HE1 HIS A 54 4.539 6.544 0.195 1.00 2.22 H new ATOM 822 N ARG A 55 0.039 9.264 5.004 1.00 1.08 N ATOM 823 CA ARG A 55 -1.161 10.004 5.357 1.00 1.23 C ATOM 824 C ARG A 55 -2.404 9.140 5.129 1.00 1.03 C ATOM 825 O ARG A 55 -2.403 8.261 4.268 1.00 1.18 O ATOM 826 CB ARG A 55 -1.281 11.286 4.530 1.00 1.81 C ATOM 827 CG ARG A 55 -1.603 10.968 3.070 1.00 1.19 C ATOM 828 CD ARG A 55 -1.245 12.147 2.161 1.00 1.48 C ATOM 829 NE ARG A 55 -2.435 13.000 1.947 1.00 1.71 N ATOM 830 CZ ARG A 55 -2.967 13.795 2.885 1.00 3.10 C ATOM 831 NH1 ARG A 55 -2.206 14.244 3.892 1.00 3.70 N ATOM 832 NH2 ARG A 55 -4.259 14.142 2.815 1.00 4.66 N ATOM 0 H ARG A 55 -0.083 8.587 4.251 1.00 1.08 H new ATOM 0 HA ARG A 55 -1.088 10.271 6.411 1.00 1.23 H new ATOM 0 HB2 ARG A 55 -2.062 11.921 4.948 1.00 1.81 H new ATOM 0 HB3 ARG A 55 -0.349 11.848 4.586 1.00 1.81 H new ATOM 0 HG2 ARG A 55 -1.051 10.082 2.757 1.00 1.19 H new ATOM 0 HG3 ARG A 55 -2.663 10.735 2.970 1.00 1.19 H new ATOM 0 HD2 ARG A 55 -0.443 12.733 2.610 1.00 1.48 H new ATOM 0 HD3 ARG A 55 -0.874 11.780 1.204 1.00 1.48 H new ATOM 0 HE ARG A 55 -2.878 12.982 1.028 1.00 1.71 H new ATOM 0 HH11 ARG A 55 -1.222 13.981 3.944 1.00 3.70 H new ATOM 0 HH12 ARG A 55 -2.611 14.849 4.606 1.00 3.70 H new ATOM 0 HH21 ARG A 55 -4.838 13.801 2.048 1.00 4.66 H new ATOM 0 HH22 ARG A 55 -4.664 14.747 3.529 1.00 4.66 H new ATOM 846 N ILE A 56 -3.433 9.420 5.914 1.00 0.90 N ATOM 847 CA ILE A 56 -4.669 8.663 5.827 1.00 0.80 C ATOM 848 C ILE A 56 -5.847 9.630 5.698 1.00 0.81 C ATOM 849 O ILE A 56 -5.809 10.736 6.237 1.00 1.07 O ATOM 850 CB ILE A 56 -4.791 7.699 7.008 1.00 0.71 C ATOM 851 CG1 ILE A 56 -3.611 6.726 7.047 1.00 0.82 C ATOM 852 CG2 ILE A 56 -6.135 6.968 6.984 1.00 0.80 C ATOM 853 CD1 ILE A 56 -3.365 6.218 8.469 1.00 1.11 C ATOM 0 H ILE A 56 -3.436 10.162 6.614 1.00 0.90 H new ATOM 0 HA ILE A 56 -4.671 8.038 4.934 1.00 0.80 H new ATOM 0 HB ILE A 56 -4.758 8.282 7.928 1.00 0.71 H new ATOM 0 HG12 ILE A 56 -3.808 5.883 6.385 1.00 0.82 H new ATOM 0 HG13 ILE A 56 -2.714 7.221 6.674 1.00 0.82 H new ATOM 0 HG21 ILE A 56 -6.195 6.289 7.835 1.00 0.80 H new ATOM 0 HG22 ILE A 56 -6.945 7.695 7.042 1.00 0.80 H new ATOM 0 HG23 ILE A 56 -6.223 6.399 6.059 1.00 0.80 H new ATOM 0 HD11 ILE A 56 -2.521 5.528 8.468 1.00 1.11 H new ATOM 0 HD12 ILE A 56 -3.144 7.061 9.123 1.00 1.11 H new ATOM 0 HD13 ILE A 56 -4.255 5.702 8.830 1.00 1.11 H new ATOM 865 N ILE A 57 -6.867 9.179 4.982 1.00 0.70 N ATOM 866 CA ILE A 57 -8.113 9.922 4.905 1.00 0.79 C ATOM 867 C ILE A 57 -9.287 8.963 5.114 1.00 0.89 C ATOM 868 O ILE A 57 -9.272 7.840 4.614 1.00 0.99 O ATOM 869 CB ILE A 57 -8.188 10.708 3.593 1.00 0.78 C ATOM 870 CG1 ILE A 57 -7.580 12.102 3.755 1.00 1.14 C ATOM 871 CG2 ILE A 57 -9.624 10.766 3.070 1.00 0.75 C ATOM 872 CD1 ILE A 57 -7.538 12.841 2.416 1.00 1.36 C ATOM 0 H ILE A 57 -6.856 8.309 4.450 1.00 0.70 H new ATOM 0 HA ILE A 57 -8.162 10.666 5.700 1.00 0.79 H new ATOM 0 HB ILE A 57 -7.595 10.182 2.845 1.00 0.78 H new ATOM 0 HG12 ILE A 57 -8.165 12.676 4.473 1.00 1.14 H new ATOM 0 HG13 ILE A 57 -6.571 12.018 4.160 1.00 1.14 H new ATOM 0 HG21 ILE A 57 -9.649 11.330 2.137 1.00 0.75 H new ATOM 0 HG22 ILE A 57 -9.988 9.754 2.892 1.00 0.75 H new ATOM 0 HG23 ILE A 57 -10.260 11.256 3.807 1.00 0.75 H new ATOM 0 HD11 ILE A 57 -7.101 13.829 2.559 1.00 1.36 H new ATOM 0 HD12 ILE A 57 -6.932 12.276 1.707 1.00 1.36 H new ATOM 0 HD13 ILE A 57 -8.550 12.945 2.026 1.00 1.36 H new ATOM 884 N PRO A 58 -10.302 9.455 5.874 1.00 0.91 N ATOM 885 CA PRO A 58 -11.481 8.653 6.157 1.00 1.01 C ATOM 886 C PRO A 58 -12.393 8.569 4.931 1.00 0.96 C ATOM 887 O PRO A 58 -13.060 9.541 4.582 1.00 1.01 O ATOM 888 CB PRO A 58 -12.142 9.333 7.345 1.00 1.09 C ATOM 889 CG PRO A 58 -11.573 10.741 7.389 1.00 1.04 C ATOM 890 CD PRO A 58 -10.354 10.780 6.483 1.00 0.92 C ATOM 0 HA PRO A 58 -11.240 7.616 6.392 1.00 1.01 H new ATOM 0 HB2 PRO A 58 -13.226 9.353 7.230 1.00 1.09 H new ATOM 0 HB3 PRO A 58 -11.929 8.797 8.270 1.00 1.09 H new ATOM 0 HG2 PRO A 58 -12.318 11.464 7.058 1.00 1.04 H new ATOM 0 HG3 PRO A 58 -11.299 11.010 8.409 1.00 1.04 H new ATOM 0 HD2 PRO A 58 -10.447 11.560 5.727 1.00 0.92 H new ATOM 0 HD3 PRO A 58 -9.447 10.992 7.049 1.00 0.92 H new ATOM 898 N GLY A 59 -12.394 7.398 4.314 1.00 1.02 N ATOM 899 CA GLY A 59 -13.305 7.132 3.213 1.00 1.04 C ATOM 900 C GLY A 59 -12.671 7.512 1.872 1.00 0.96 C ATOM 901 O GLY A 59 -13.305 8.164 1.045 1.00 1.01 O ATOM 0 H GLY A 59 -11.778 6.621 4.555 1.00 1.02 H new ATOM 0 HA2 GLY A 59 -13.574 6.076 3.206 1.00 1.04 H new ATOM 0 HA3 GLY A 59 -14.228 7.695 3.356 1.00 1.04 H new ATOM 905 N PHE A 60 -11.428 7.088 1.701 1.00 0.88 N ATOM 906 CA PHE A 60 -10.748 7.261 0.429 1.00 0.81 C ATOM 907 C PHE A 60 -9.691 6.174 0.220 1.00 0.75 C ATOM 908 O PHE A 60 -9.818 5.343 -0.678 1.00 0.76 O ATOM 909 CB PHE A 60 -10.057 8.626 0.473 1.00 0.79 C ATOM 910 CG PHE A 60 -9.326 8.996 -0.819 1.00 0.71 C ATOM 911 CD1 PHE A 60 -9.566 8.296 -1.960 1.00 1.57 C ATOM 912 CD2 PHE A 60 -8.437 10.024 -0.826 1.00 2.20 C ATOM 913 CE1 PHE A 60 -8.889 8.639 -3.159 1.00 1.64 C ATOM 914 CE2 PHE A 60 -7.759 10.368 -2.026 1.00 2.19 C ATOM 915 CZ PHE A 60 -7.999 9.668 -3.168 1.00 0.82 C ATOM 0 H PHE A 60 -10.874 6.625 2.422 1.00 0.88 H new ATOM 0 HA PHE A 60 -11.466 7.194 -0.389 1.00 0.81 H new ATOM 0 HB2 PHE A 60 -10.802 9.392 0.689 1.00 0.79 H new ATOM 0 HB3 PHE A 60 -9.344 8.634 1.297 1.00 0.79 H new ATOM 0 HD1 PHE A 60 -10.272 7.479 -1.954 1.00 1.57 H new ATOM 0 HD2 PHE A 60 -8.246 10.579 0.080 1.00 2.20 H new ATOM 0 HE1 PHE A 60 -9.080 8.083 -4.065 1.00 1.64 H new ATOM 0 HE2 PHE A 60 -7.053 11.185 -2.032 1.00 2.19 H new ATOM 0 HZ PHE A 60 -7.484 9.929 -4.080 1.00 0.82 H new ATOM 925 N MET A 61 -8.671 6.216 1.065 1.00 0.74 N ATOM 926 CA MET A 61 -7.520 5.345 0.892 1.00 0.76 C ATOM 927 C MET A 61 -6.589 5.419 2.104 1.00 0.84 C ATOM 928 O MET A 61 -6.745 6.290 2.959 1.00 0.81 O ATOM 929 CB MET A 61 -6.753 5.757 -0.367 1.00 0.75 C ATOM 930 CG MET A 61 -5.656 6.771 -0.033 1.00 1.12 C ATOM 931 SD MET A 61 -6.375 8.225 0.711 1.00 1.65 S ATOM 932 CE MET A 61 -4.962 8.845 1.609 1.00 1.28 C ATOM 0 H MET A 61 -8.617 6.839 1.871 1.00 0.74 H new ATOM 0 HA MET A 61 -7.876 4.319 0.793 1.00 0.76 H new ATOM 0 HB2 MET A 61 -6.310 4.876 -0.832 1.00 0.75 H new ATOM 0 HB3 MET A 61 -7.443 6.188 -1.093 1.00 0.75 H new ATOM 0 HG2 MET A 61 -4.932 6.324 0.648 1.00 1.12 H new ATOM 0 HG3 MET A 61 -5.115 7.045 -0.939 1.00 1.12 H new ATOM 0 HE1 MET A 61 -5.238 9.758 2.136 1.00 1.28 H new ATOM 0 HE2 MET A 61 -4.632 8.096 2.329 1.00 1.28 H new ATOM 0 HE3 MET A 61 -4.153 9.059 0.911 1.00 1.28 H new ATOM 942 N CYS A 62 -5.642 4.493 2.140 1.00 1.01 N ATOM 943 CA CYS A 62 -4.579 4.548 3.129 1.00 1.22 C ATOM 944 C CYS A 62 -3.239 4.555 2.393 1.00 1.58 C ATOM 945 O CYS A 62 -2.773 3.514 1.932 1.00 1.81 O ATOM 946 CB CYS A 62 -4.675 3.393 4.128 1.00 1.58 C ATOM 947 SG CYS A 62 -6.149 3.606 5.191 1.00 1.79 S ATOM 0 H CYS A 62 -5.589 3.700 1.500 1.00 1.01 H new ATOM 0 HA CYS A 62 -4.674 5.460 3.718 1.00 1.22 H new ATOM 0 HB2 CYS A 62 -4.735 2.444 3.595 1.00 1.58 H new ATOM 0 HB3 CYS A 62 -3.775 3.357 4.742 1.00 1.58 H new ATOM 0 HG CYS A 62 -6.222 2.619 6.034 1.00 1.79 H new ATOM 953 N GLN A 63 -2.655 5.741 2.304 1.00 2.03 N ATOM 954 CA GLN A 63 -1.431 5.918 1.541 1.00 2.68 C ATOM 955 C GLN A 63 -0.211 5.658 2.427 1.00 2.42 C ATOM 956 O GLN A 63 -0.047 6.295 3.468 1.00 2.77 O ATOM 957 CB GLN A 63 -1.369 7.315 0.919 1.00 3.39 C ATOM 958 CG GLN A 63 -0.019 7.553 0.239 1.00 4.26 C ATOM 959 CD GLN A 63 0.238 6.510 -0.851 1.00 4.81 C ATOM 960 OE1 GLN A 63 -0.459 6.435 -1.849 1.00 5.59 O ATOM 961 NE2 GLN A 63 1.274 5.714 -0.604 1.00 5.22 N ATOM 0 H GLN A 63 -3.007 6.589 2.748 1.00 2.03 H new ATOM 0 HA GLN A 63 -1.426 5.193 0.727 1.00 2.68 H new ATOM 0 HB2 GLN A 63 -2.172 7.429 0.191 1.00 3.39 H new ATOM 0 HB3 GLN A 63 -1.529 8.068 1.691 1.00 3.39 H new ATOM 0 HG2 GLN A 63 0.002 8.552 -0.197 1.00 4.26 H new ATOM 0 HG3 GLN A 63 0.778 7.512 0.981 1.00 4.26 H new ATOM 0 HE21 GLN A 63 1.815 5.832 0.252 1.00 5.22 H new ATOM 0 HE22 GLN A 63 1.528 4.985 -1.271 1.00 5.22 H new ATOM 970 N GLY A 64 0.614 4.721 1.983 1.00 2.08 N ATOM 971 CA GLY A 64 1.818 4.374 2.719 1.00 2.09 C ATOM 972 C GLY A 64 2.837 3.684 1.810 1.00 2.43 C ATOM 973 O GLY A 64 2.476 3.141 0.767 1.00 3.28 O ATOM 0 H GLY A 64 0.472 4.191 1.123 1.00 2.08 H new ATOM 0 HA2 GLY A 64 2.259 5.274 3.148 1.00 2.09 H new ATOM 0 HA3 GLY A 64 1.563 3.717 3.550 1.00 2.09 H new ATOM 977 N GLY A 65 4.090 3.728 2.240 1.00 2.39 N ATOM 978 CA GLY A 65 5.151 3.046 1.519 1.00 2.94 C ATOM 979 C GLY A 65 6.413 3.910 1.456 1.00 2.64 C ATOM 980 O GLY A 65 6.656 4.589 0.459 1.00 3.42 O ATOM 0 H GLY A 65 4.394 4.225 3.078 1.00 2.39 H new ATOM 0 HA2 GLY A 65 5.378 2.099 2.009 1.00 2.94 H new ATOM 0 HA3 GLY A 65 4.816 2.810 0.509 1.00 2.94 H new ATOM 984 N ASP A 66 7.183 3.856 2.533 1.00 2.28 N ATOM 985 CA ASP A 66 8.427 4.604 2.602 1.00 2.38 C ATOM 986 C ASP A 66 9.253 4.103 3.788 1.00 1.81 C ATOM 987 O ASP A 66 8.746 4.006 4.905 1.00 2.07 O ATOM 988 CB ASP A 66 8.163 6.097 2.806 1.00 3.14 C ATOM 989 CG ASP A 66 9.407 6.986 2.767 1.00 4.45 C ATOM 990 OD1 ASP A 66 10.441 6.536 3.305 1.00 5.41 O ATOM 991 OD2 ASP A 66 9.295 8.094 2.201 1.00 5.24 O ATOM 0 H ASP A 66 6.969 3.306 3.365 1.00 2.28 H new ATOM 0 HA ASP A 66 8.960 4.458 1.662 1.00 2.38 H new ATOM 0 HB2 ASP A 66 7.469 6.436 2.037 1.00 3.14 H new ATOM 0 HB3 ASP A 66 7.667 6.235 3.767 1.00 3.14 H new ATOM 996 N PHE A 67 10.511 3.799 3.507 1.00 1.90 N ATOM 997 CA PHE A 67 11.335 3.069 4.456 1.00 2.01 C ATOM 998 C PHE A 67 12.694 3.748 4.637 1.00 2.20 C ATOM 999 O PHE A 67 13.645 3.124 5.103 1.00 3.09 O ATOM 1000 CB PHE A 67 11.550 1.668 3.878 1.00 2.66 C ATOM 1001 CG PHE A 67 12.483 0.788 4.711 1.00 3.23 C ATOM 1002 CD1 PHE A 67 12.204 0.552 6.022 1.00 4.01 C ATOM 1003 CD2 PHE A 67 13.590 0.242 4.143 1.00 4.27 C ATOM 1004 CE1 PHE A 67 13.069 -0.265 6.795 1.00 5.24 C ATOM 1005 CE2 PHE A 67 14.457 -0.575 4.916 1.00 5.30 C ATOM 1006 CZ PHE A 67 14.178 -0.812 6.227 1.00 5.59 C ATOM 0 H PHE A 67 10.980 4.045 2.635 1.00 1.90 H new ATOM 0 HA PHE A 67 10.843 3.036 5.428 1.00 2.01 H new ATOM 0 HB2 PHE A 67 10.584 1.171 3.787 1.00 2.66 H new ATOM 0 HB3 PHE A 67 11.957 1.760 2.871 1.00 2.66 H new ATOM 0 HD1 PHE A 67 11.324 0.986 6.474 1.00 4.01 H new ATOM 0 HD2 PHE A 67 13.811 0.430 3.103 1.00 4.27 H new ATOM 0 HE1 PHE A 67 12.847 -0.453 7.835 1.00 5.24 H new ATOM 0 HE2 PHE A 67 15.337 -1.008 4.464 1.00 5.30 H new ATOM 0 HZ PHE A 67 14.836 -1.434 6.816 1.00 5.59 H new ATOM 1016 N THR A 68 12.741 5.016 4.257 1.00 2.05 N ATOM 1017 CA THR A 68 13.958 5.798 4.408 1.00 2.57 C ATOM 1018 C THR A 68 13.620 7.248 4.759 1.00 2.26 C ATOM 1019 O THR A 68 13.536 7.602 5.934 1.00 2.85 O ATOM 1020 CB THR A 68 14.771 5.659 3.119 1.00 3.34 C ATOM 1021 OG1 THR A 68 13.814 5.855 2.081 1.00 4.01 O ATOM 1022 CG2 THR A 68 15.275 4.230 2.896 1.00 4.32 C ATOM 0 H THR A 68 11.957 5.522 3.845 1.00 2.05 H new ATOM 0 HA THR A 68 14.565 5.430 5.235 1.00 2.57 H new ATOM 0 HB THR A 68 15.619 6.343 3.150 1.00 3.34 H new ATOM 0 HG1 THR A 68 14.166 6.496 1.429 1.00 4.01 H new ATOM 0 HG21 THR A 68 15.846 4.186 1.968 1.00 4.32 H new ATOM 0 HG22 THR A 68 15.913 3.935 3.729 1.00 4.32 H new ATOM 0 HG23 THR A 68 14.425 3.550 2.832 1.00 4.32 H new ATOM 1030 N ARG A 69 13.435 8.047 3.719 1.00 2.22 N ATOM 1031 CA ARG A 69 13.355 9.488 3.888 1.00 2.61 C ATOM 1032 C ARG A 69 12.070 9.864 4.629 1.00 2.65 C ATOM 1033 O ARG A 69 12.007 10.905 5.281 1.00 3.49 O ATOM 1034 CB ARG A 69 13.383 10.204 2.536 1.00 2.99 C ATOM 1035 CG ARG A 69 14.681 9.903 1.784 1.00 3.63 C ATOM 1036 CD ARG A 69 15.117 11.103 0.940 1.00 4.87 C ATOM 1037 NE ARG A 69 15.977 10.650 -0.176 1.00 5.74 N ATOM 1038 CZ ARG A 69 15.546 9.901 -1.200 1.00 7.03 C ATOM 1039 NH1 ARG A 69 14.233 9.716 -1.390 1.00 7.70 N ATOM 1040 NH2 ARG A 69 16.429 9.336 -2.034 1.00 8.20 N ATOM 0 H ARG A 69 13.338 7.724 2.756 1.00 2.22 H new ATOM 0 HA ARG A 69 14.221 9.802 4.471 1.00 2.61 H new ATOM 0 HB2 ARG A 69 12.529 9.889 1.936 1.00 2.99 H new ATOM 0 HB3 ARG A 69 13.287 11.279 2.688 1.00 2.99 H new ATOM 0 HG2 ARG A 69 15.467 9.649 2.495 1.00 3.63 H new ATOM 0 HG3 ARG A 69 14.540 9.034 1.141 1.00 3.63 H new ATOM 0 HD2 ARG A 69 14.241 11.620 0.548 1.00 4.87 H new ATOM 0 HD3 ARG A 69 15.658 11.817 1.560 1.00 4.87 H new ATOM 0 HE ARG A 69 16.959 10.925 -0.165 1.00 5.74 H new ATOM 0 HH11 ARG A 69 13.560 10.146 -0.755 1.00 7.70 H new ATOM 0 HH12 ARG A 69 13.906 9.146 -2.170 1.00 7.70 H new ATOM 0 HH21 ARG A 69 17.429 9.476 -1.889 1.00 8.20 H new ATOM 0 HH22 ARG A 69 16.101 8.766 -2.814 1.00 8.20 H new ATOM 1054 N HIS A 70 11.077 8.997 4.504 1.00 2.50 N ATOM 1055 CA HIS A 70 9.774 9.259 5.094 1.00 2.97 C ATOM 1056 C HIS A 70 9.240 10.599 4.582 1.00 3.33 C ATOM 1057 O HIS A 70 8.815 11.443 5.369 1.00 3.88 O ATOM 1058 CB HIS A 70 9.847 9.194 6.620 1.00 3.25 C ATOM 1059 CG HIS A 70 10.498 7.939 7.151 1.00 3.08 C ATOM 1060 ND1 HIS A 70 10.520 6.750 6.444 1.00 3.32 N ATOM 1061 CD2 HIS A 70 11.149 7.701 8.326 1.00 3.54 C ATOM 1062 CE1 HIS A 70 11.159 5.844 7.170 1.00 3.52 C ATOM 1063 NE2 HIS A 70 11.546 6.436 8.336 1.00 3.80 N ATOM 0 H HIS A 70 11.148 8.112 4.003 1.00 2.50 H new ATOM 0 HA HIS A 70 9.069 8.486 4.789 1.00 2.97 H new ATOM 0 HB2 HIS A 70 10.400 10.060 6.984 1.00 3.25 H new ATOM 0 HB3 HIS A 70 8.838 9.267 7.025 1.00 3.25 H new ATOM 0 HD1 HIS A 70 10.114 6.597 5.521 1.00 3.32 H new ATOM 0 HD2 HIS A 70 11.313 8.421 9.114 1.00 3.54 H new ATOM 0 HE1 HIS A 70 11.341 4.818 6.888 1.00 3.52 H new ATOM 1071 N ASN A 71 9.280 10.752 3.266 1.00 3.44 N ATOM 1072 CA ASN A 71 8.882 12.005 2.647 1.00 4.02 C ATOM 1073 C ASN A 71 7.789 11.731 1.611 1.00 4.15 C ATOM 1074 O ASN A 71 7.488 12.587 0.780 1.00 4.74 O ATOM 1075 CB ASN A 71 10.061 12.661 1.926 1.00 4.52 C ATOM 1076 CG ASN A 71 10.530 11.806 0.748 1.00 5.92 C ATOM 1077 OD1 ASN A 71 10.137 10.663 0.582 1.00 6.87 O ATOM 1078 ND2 ASN A 71 11.391 12.421 -0.058 1.00 6.67 N ATOM 0 H ASN A 71 9.582 10.030 2.612 1.00 3.44 H new ATOM 0 HA ASN A 71 8.523 12.671 3.432 1.00 4.02 H new ATOM 0 HB2 ASN A 71 9.769 13.649 1.569 1.00 4.52 H new ATOM 0 HB3 ASN A 71 10.884 12.805 2.625 1.00 4.52 H new ATOM 0 HD21 ASN A 71 11.764 11.934 -0.873 1.00 6.67 H new ATOM 0 HD22 ASN A 71 11.679 13.380 0.139 1.00 6.67 H new ATOM 1085 N GLY A 72 7.225 10.535 1.694 1.00 4.04 N ATOM 1086 CA GLY A 72 6.141 10.155 0.804 1.00 4.62 C ATOM 1087 C GLY A 72 6.629 9.176 -0.267 1.00 4.14 C ATOM 1088 O GLY A 72 5.825 8.582 -0.983 1.00 4.83 O ATOM 0 H GLY A 72 7.498 9.816 2.364 1.00 4.04 H new ATOM 0 HA2 GLY A 72 5.336 9.698 1.380 1.00 4.62 H new ATOM 0 HA3 GLY A 72 5.728 11.044 0.328 1.00 4.62 H new ATOM 1092 N THR A 73 7.945 9.038 -0.341 1.00 3.29 N ATOM 1093 CA THR A 73 8.548 8.125 -1.296 1.00 3.19 C ATOM 1094 C THR A 73 9.641 7.293 -0.622 1.00 2.81 C ATOM 1095 O THR A 73 9.410 6.143 -0.250 1.00 3.84 O ATOM 1096 CB THR A 73 9.056 8.949 -2.481 1.00 3.37 C ATOM 1097 OG1 THR A 73 10.046 9.802 -1.912 1.00 3.67 O ATOM 1098 CG2 THR A 73 7.998 9.913 -3.021 1.00 3.05 C ATOM 0 H THR A 73 8.610 9.543 0.245 1.00 3.29 H new ATOM 0 HA THR A 73 7.819 7.405 -1.670 1.00 3.19 H new ATOM 0 HB THR A 73 9.376 8.278 -3.279 1.00 3.37 H new ATOM 0 HG1 THR A 73 9.697 10.206 -1.090 1.00 3.67 H new ATOM 0 HG21 THR A 73 8.410 10.473 -3.860 1.00 3.05 H new ATOM 0 HG22 THR A 73 7.127 9.348 -3.354 1.00 3.05 H new ATOM 0 HG23 THR A 73 7.701 10.606 -2.234 1.00 3.05 H new ATOM 1106 N GLY A 74 10.808 7.907 -0.484 1.00 2.12 N ATOM 1107 CA GLY A 74 11.861 7.335 0.336 1.00 1.97 C ATOM 1108 C GLY A 74 12.056 5.849 0.023 1.00 2.26 C ATOM 1109 O GLY A 74 11.556 4.988 0.744 1.00 3.43 O ATOM 0 H GLY A 74 11.046 8.795 -0.927 1.00 2.12 H new ATOM 0 HA2 GLY A 74 12.794 7.872 0.163 1.00 1.97 H new ATOM 0 HA3 GLY A 74 11.613 7.459 1.390 1.00 1.97 H new ATOM 1113 N GLY A 75 12.784 5.595 -1.055 1.00 2.67 N ATOM 1114 CA GLY A 75 13.179 4.238 -1.388 1.00 3.18 C ATOM 1115 C GLY A 75 12.080 3.525 -2.177 1.00 1.89 C ATOM 1116 O GLY A 75 10.956 4.017 -2.266 1.00 2.11 O ATOM 0 H GLY A 75 13.110 6.307 -1.709 1.00 2.67 H new ATOM 0 HA2 GLY A 75 14.098 4.256 -1.973 1.00 3.18 H new ATOM 0 HA3 GLY A 75 13.394 3.683 -0.475 1.00 3.18 H new ATOM 1120 N LYS A 76 12.441 2.377 -2.731 1.00 2.17 N ATOM 1121 CA LYS A 76 11.467 1.521 -3.386 1.00 2.53 C ATOM 1122 C LYS A 76 11.406 0.176 -2.660 1.00 1.99 C ATOM 1123 O LYS A 76 10.407 -0.142 -2.017 1.00 2.16 O ATOM 1124 CB LYS A 76 11.779 1.400 -4.879 1.00 4.35 C ATOM 1125 CG LYS A 76 10.972 0.267 -5.517 1.00 6.70 C ATOM 1126 CD LYS A 76 11.892 -0.727 -6.231 1.00 8.21 C ATOM 1127 CE LYS A 76 12.097 -0.329 -7.695 1.00 9.68 C ATOM 1128 NZ LYS A 76 13.540 -0.224 -8.006 1.00 9.73 N ATOM 0 H LYS A 76 13.396 2.019 -2.740 1.00 2.17 H new ATOM 0 HA LYS A 76 10.472 1.961 -3.326 1.00 2.53 H new ATOM 0 HB2 LYS A 76 11.550 2.341 -5.380 1.00 4.35 H new ATOM 0 HB3 LYS A 76 12.844 1.216 -5.018 1.00 4.35 H new ATOM 0 HG2 LYS A 76 10.396 -0.251 -4.750 1.00 6.70 H new ATOM 0 HG3 LYS A 76 10.256 0.681 -6.227 1.00 6.70 H new ATOM 0 HD2 LYS A 76 12.855 -0.766 -5.723 1.00 8.21 H new ATOM 0 HD3 LYS A 76 11.463 -1.728 -6.179 1.00 8.21 H new ATOM 0 HE2 LYS A 76 11.631 -1.067 -8.347 1.00 9.68 H new ATOM 0 HE3 LYS A 76 11.606 0.624 -7.891 1.00 9.68 H new ATOM 0 HZ1 LYS A 76 13.676 0.424 -8.808 1.00 9.73 H new ATOM 0 HZ2 LYS A 76 14.048 0.142 -7.176 1.00 9.73 H new ATOM 0 HZ3 LYS A 76 13.911 -1.164 -8.253 1.00 9.73 H new ATOM 1142 N SER A 77 12.487 -0.579 -2.787 1.00 2.07 N ATOM 1143 CA SER A 77 12.499 -1.954 -2.319 1.00 2.64 C ATOM 1144 C SER A 77 13.883 -2.570 -2.538 1.00 2.26 C ATOM 1145 O SER A 77 14.893 -1.994 -2.135 1.00 2.41 O ATOM 1146 CB SER A 77 11.431 -2.787 -3.029 1.00 3.74 C ATOM 1147 OG SER A 77 11.483 -4.159 -2.650 1.00 5.28 O ATOM 0 H SER A 77 13.361 -0.264 -3.208 1.00 2.07 H new ATOM 0 HA SER A 77 12.272 -1.953 -1.253 1.00 2.64 H new ATOM 0 HB2 SER A 77 10.445 -2.384 -2.798 1.00 3.74 H new ATOM 0 HB3 SER A 77 11.564 -2.704 -4.108 1.00 3.74 H new ATOM 0 HG SER A 77 11.286 -4.721 -3.428 1.00 5.28 H new ATOM 1153 N ILE A 78 13.885 -3.731 -3.175 1.00 1.96 N ATOM 1154 CA ILE A 78 15.091 -4.539 -3.255 1.00 1.88 C ATOM 1155 C ILE A 78 15.878 -4.150 -4.508 1.00 1.72 C ATOM 1156 O ILE A 78 17.017 -4.577 -4.688 1.00 1.77 O ATOM 1157 CB ILE A 78 14.745 -6.027 -3.183 1.00 2.07 C ATOM 1158 CG1 ILE A 78 14.522 -6.606 -4.582 1.00 2.26 C ATOM 1159 CG2 ILE A 78 13.545 -6.268 -2.266 1.00 2.15 C ATOM 1160 CD1 ILE A 78 14.388 -8.129 -4.530 1.00 2.55 C ATOM 0 H ILE A 78 13.071 -4.132 -3.641 1.00 1.96 H new ATOM 0 HA ILE A 78 15.737 -4.344 -2.399 1.00 1.88 H new ATOM 0 HB ILE A 78 15.594 -6.554 -2.747 1.00 2.07 H new ATOM 0 HG12 ILE A 78 13.622 -6.173 -5.020 1.00 2.26 H new ATOM 0 HG13 ILE A 78 15.355 -6.333 -5.230 1.00 2.26 H new ATOM 0 HG21 ILE A 78 13.321 -7.334 -2.233 1.00 2.15 H new ATOM 0 HG22 ILE A 78 13.778 -5.915 -1.261 1.00 2.15 H new ATOM 0 HG23 ILE A 78 12.680 -5.727 -2.649 1.00 2.15 H new ATOM 0 HD11 ILE A 78 14.230 -8.515 -5.537 1.00 2.55 H new ATOM 0 HD12 ILE A 78 15.299 -8.560 -4.115 1.00 2.55 H new ATOM 0 HD13 ILE A 78 13.539 -8.398 -3.901 1.00 2.55 H new ATOM 1172 N TYR A 79 15.238 -3.343 -5.343 1.00 1.70 N ATOM 1173 CA TYR A 79 15.752 -3.088 -6.679 1.00 1.63 C ATOM 1174 C TYR A 79 15.931 -1.588 -6.920 1.00 1.56 C ATOM 1175 O TYR A 79 16.056 -1.151 -8.063 1.00 1.79 O ATOM 1176 CB TYR A 79 14.694 -3.626 -7.646 1.00 1.86 C ATOM 1177 CG TYR A 79 14.764 -5.138 -7.866 1.00 2.23 C ATOM 1178 CD1 TYR A 79 15.965 -5.732 -8.201 1.00 3.13 C ATOM 1179 CD2 TYR A 79 13.628 -5.909 -7.729 1.00 2.63 C ATOM 1180 CE1 TYR A 79 16.031 -7.156 -8.408 1.00 3.74 C ATOM 1181 CE2 TYR A 79 13.694 -7.332 -7.936 1.00 3.02 C ATOM 1182 CZ TYR A 79 14.892 -7.885 -8.265 1.00 3.34 C ATOM 1183 OH TYR A 79 14.955 -9.230 -8.461 1.00 3.97 O ATOM 0 H TYR A 79 14.369 -2.858 -5.120 1.00 1.70 H new ATOM 0 HA TYR A 79 16.723 -3.563 -6.815 1.00 1.63 H new ATOM 0 HB2 TYR A 79 13.705 -3.370 -7.266 1.00 1.86 H new ATOM 0 HB3 TYR A 79 14.806 -3.124 -8.607 1.00 1.86 H new ATOM 0 HD1 TYR A 79 16.855 -5.129 -8.308 1.00 3.13 H new ATOM 0 HD2 TYR A 79 12.689 -5.445 -7.466 1.00 2.63 H new ATOM 0 HE1 TYR A 79 16.963 -7.634 -8.671 1.00 3.74 H new ATOM 0 HE2 TYR A 79 12.812 -7.947 -7.832 1.00 3.02 H new ATOM 0 HH TYR A 79 14.067 -9.622 -8.325 1.00 3.97 H new ATOM 1193 N GLY A 80 15.937 -0.842 -5.826 1.00 1.58 N ATOM 1194 CA GLY A 80 16.369 0.545 -5.869 1.00 1.66 C ATOM 1195 C GLY A 80 15.331 1.463 -5.221 1.00 1.89 C ATOM 1196 O GLY A 80 14.835 1.175 -4.132 1.00 3.08 O ATOM 0 H GLY A 80 15.650 -1.171 -4.904 1.00 1.58 H new ATOM 0 HA2 GLY A 80 17.324 0.648 -5.353 1.00 1.66 H new ATOM 0 HA3 GLY A 80 16.531 0.847 -6.904 1.00 1.66 H new ATOM 1200 N GLU A 81 15.031 2.549 -5.919 1.00 1.42 N ATOM 1201 CA GLU A 81 14.141 3.564 -5.379 1.00 1.48 C ATOM 1202 C GLU A 81 13.023 3.874 -6.376 1.00 1.31 C ATOM 1203 O GLU A 81 12.171 4.721 -6.115 1.00 1.58 O ATOM 1204 CB GLU A 81 14.914 4.831 -5.011 1.00 1.92 C ATOM 1205 CG GLU A 81 13.966 5.930 -4.524 1.00 2.82 C ATOM 1206 CD GLU A 81 14.703 6.939 -3.641 1.00 3.34 C ATOM 1207 OE1 GLU A 81 15.893 7.185 -3.932 1.00 3.14 O ATOM 1208 OE2 GLU A 81 14.059 7.441 -2.695 1.00 4.57 O ATOM 0 H GLU A 81 15.388 2.748 -6.853 1.00 1.42 H new ATOM 0 HA GLU A 81 13.690 3.175 -4.466 1.00 1.48 H new ATOM 0 HB2 GLU A 81 15.643 4.604 -4.233 1.00 1.92 H new ATOM 0 HB3 GLU A 81 15.472 5.185 -5.877 1.00 1.92 H new ATOM 0 HG2 GLU A 81 13.528 6.443 -5.380 1.00 2.82 H new ATOM 0 HG3 GLU A 81 13.144 5.484 -3.964 1.00 2.82 H new ATOM 1215 N LYS A 82 13.064 3.170 -7.498 1.00 1.20 N ATOM 1216 CA LYS A 82 12.027 3.310 -8.506 1.00 1.11 C ATOM 1217 C LYS A 82 12.324 2.365 -9.673 1.00 1.16 C ATOM 1218 O LYS A 82 13.428 1.834 -9.780 1.00 1.27 O ATOM 1219 CB LYS A 82 11.879 4.774 -8.924 1.00 1.30 C ATOM 1220 CG LYS A 82 13.247 5.455 -9.028 1.00 1.84 C ATOM 1221 CD LYS A 82 13.197 6.642 -9.992 1.00 2.25 C ATOM 1222 CE LYS A 82 13.290 6.171 -11.445 1.00 3.42 C ATOM 1223 NZ LYS A 82 12.384 6.964 -12.306 1.00 4.39 N ATOM 0 H LYS A 82 13.798 2.502 -7.731 1.00 1.20 H new ATOM 0 HA LYS A 82 11.059 3.020 -8.098 1.00 1.11 H new ATOM 0 HB2 LYS A 82 11.366 4.832 -9.884 1.00 1.30 H new ATOM 0 HB3 LYS A 82 11.260 5.302 -8.199 1.00 1.30 H new ATOM 0 HG2 LYS A 82 13.563 5.796 -8.042 1.00 1.84 H new ATOM 0 HG3 LYS A 82 13.990 4.735 -9.370 1.00 1.84 H new ATOM 0 HD2 LYS A 82 12.270 7.197 -9.844 1.00 2.25 H new ATOM 0 HD3 LYS A 82 14.017 7.327 -9.775 1.00 2.25 H new ATOM 0 HE2 LYS A 82 14.316 6.268 -11.800 1.00 3.42 H new ATOM 0 HE3 LYS A 82 13.029 5.115 -11.508 1.00 3.42 H new ATOM 0 HZ1 LYS A 82 12.781 7.024 -13.265 1.00 4.39 H new ATOM 0 HZ2 LYS A 82 11.452 6.505 -12.345 1.00 4.39 H new ATOM 0 HZ3 LYS A 82 12.282 7.922 -11.914 1.00 4.39 H new ATOM 1237 N PHE A 83 11.319 2.183 -10.517 1.00 1.23 N ATOM 1238 CA PHE A 83 11.474 1.353 -11.698 1.00 1.51 C ATOM 1239 C PHE A 83 10.248 1.457 -12.608 1.00 1.38 C ATOM 1240 O PHE A 83 9.267 2.111 -12.259 1.00 1.26 O ATOM 1241 CB PHE A 83 11.614 -0.092 -11.214 1.00 1.76 C ATOM 1242 CG PHE A 83 10.279 -0.788 -10.938 1.00 1.43 C ATOM 1243 CD1 PHE A 83 9.406 -0.253 -10.043 1.00 2.41 C ATOM 1244 CD2 PHE A 83 9.966 -1.940 -11.589 1.00 2.24 C ATOM 1245 CE1 PHE A 83 8.167 -0.899 -9.787 1.00 2.42 C ATOM 1246 CE2 PHE A 83 8.727 -2.585 -11.333 1.00 2.31 C ATOM 1247 CZ PHE A 83 7.854 -2.051 -10.438 1.00 1.57 C ATOM 0 H PHE A 83 10.393 2.597 -10.406 1.00 1.23 H new ATOM 0 HA PHE A 83 12.344 1.678 -12.268 1.00 1.51 H new ATOM 0 HB2 PHE A 83 12.162 -0.664 -11.963 1.00 1.76 H new ATOM 0 HB3 PHE A 83 12.213 -0.103 -10.303 1.00 1.76 H new ATOM 0 HD1 PHE A 83 9.655 0.663 -9.527 1.00 2.41 H new ATOM 0 HD2 PHE A 83 10.659 -2.364 -12.300 1.00 2.24 H new ATOM 0 HE1 PHE A 83 7.474 -0.475 -9.075 1.00 2.42 H new ATOM 0 HE2 PHE A 83 8.478 -3.500 -11.850 1.00 2.31 H new ATOM 0 HZ PHE A 83 6.912 -2.542 -10.244 1.00 1.57 H new ATOM 1257 N GLU A 84 10.346 0.802 -13.756 1.00 1.46 N ATOM 1258 CA GLU A 84 9.279 0.858 -14.741 1.00 1.33 C ATOM 1259 C GLU A 84 8.061 0.073 -14.251 1.00 1.12 C ATOM 1260 O GLU A 84 8.144 -0.651 -13.260 1.00 1.18 O ATOM 1261 CB GLU A 84 9.758 0.336 -16.097 1.00 1.60 C ATOM 1262 CG GLU A 84 10.052 -1.164 -16.035 1.00 1.80 C ATOM 1263 CD GLU A 84 10.906 -1.606 -17.225 1.00 2.28 C ATOM 1264 OE1 GLU A 84 10.299 -1.953 -18.261 1.00 3.08 O ATOM 1265 OE2 GLU A 84 12.146 -1.586 -17.072 1.00 2.96 O ATOM 0 H GLU A 84 11.147 0.231 -14.026 1.00 1.46 H new ATOM 0 HA GLU A 84 8.986 1.900 -14.871 1.00 1.33 H new ATOM 0 HB2 GLU A 84 8.998 0.530 -16.854 1.00 1.60 H new ATOM 0 HB3 GLU A 84 10.656 0.874 -16.401 1.00 1.60 H new ATOM 0 HG2 GLU A 84 10.569 -1.398 -15.105 1.00 1.80 H new ATOM 0 HG3 GLU A 84 9.115 -1.722 -16.028 1.00 1.80 H new ATOM 1272 N ASP A 85 6.960 0.242 -14.967 1.00 1.05 N ATOM 1273 CA ASP A 85 5.741 -0.481 -14.649 1.00 1.01 C ATOM 1274 C ASP A 85 5.584 -1.656 -15.614 1.00 1.13 C ATOM 1275 O ASP A 85 6.234 -1.699 -16.657 1.00 1.92 O ATOM 1276 CB ASP A 85 4.512 0.419 -14.794 1.00 1.05 C ATOM 1277 CG ASP A 85 4.451 1.594 -13.817 1.00 1.89 C ATOM 1278 OD1 ASP A 85 3.907 1.384 -12.711 1.00 2.96 O ATOM 1279 OD2 ASP A 85 4.949 2.676 -14.196 1.00 2.78 O ATOM 0 H ASP A 85 6.886 0.870 -15.767 1.00 1.05 H new ATOM 0 HA ASP A 85 5.814 -0.827 -13.618 1.00 1.01 H new ATOM 0 HB2 ASP A 85 4.485 0.810 -15.811 1.00 1.05 H new ATOM 0 HB3 ASP A 85 3.617 -0.190 -14.663 1.00 1.05 H new ATOM 1284 N GLU A 86 4.716 -2.583 -15.233 1.00 0.87 N ATOM 1285 CA GLU A 86 4.564 -3.820 -15.980 1.00 0.99 C ATOM 1286 C GLU A 86 3.459 -3.675 -17.028 1.00 1.00 C ATOM 1287 O GLU A 86 3.633 -4.075 -18.178 1.00 1.24 O ATOM 1288 CB GLU A 86 4.281 -4.994 -15.043 1.00 1.14 C ATOM 1289 CG GLU A 86 5.498 -5.305 -14.169 1.00 2.27 C ATOM 1290 CD GLU A 86 5.463 -6.753 -13.675 1.00 2.90 C ATOM 1291 OE1 GLU A 86 5.642 -7.649 -14.529 1.00 3.54 O ATOM 1292 OE2 GLU A 86 5.256 -6.931 -12.455 1.00 3.90 O ATOM 0 H GLU A 86 4.111 -2.502 -14.416 1.00 0.87 H new ATOM 0 HA GLU A 86 5.501 -4.028 -16.496 1.00 0.99 H new ATOM 0 HB2 GLU A 86 3.425 -4.760 -14.410 1.00 1.14 H new ATOM 0 HB3 GLU A 86 4.014 -5.874 -15.628 1.00 1.14 H new ATOM 0 HG2 GLU A 86 6.412 -5.133 -14.738 1.00 2.27 H new ATOM 0 HG3 GLU A 86 5.521 -4.627 -13.316 1.00 2.27 H new ATOM 1299 N ASN A 87 2.347 -3.101 -16.593 1.00 0.97 N ATOM 1300 CA ASN A 87 1.178 -2.990 -17.449 1.00 0.93 C ATOM 1301 C ASN A 87 -0.003 -2.470 -16.627 1.00 0.95 C ATOM 1302 O ASN A 87 0.122 -2.251 -15.424 1.00 1.15 O ATOM 1303 CB ASN A 87 0.788 -4.352 -18.028 1.00 0.95 C ATOM 1304 CG ASN A 87 0.818 -5.436 -16.948 1.00 1.13 C ATOM 1305 OD1 ASN A 87 -0.008 -5.477 -16.052 1.00 2.19 O ATOM 1306 ND2 ASN A 87 1.813 -6.307 -17.084 1.00 1.56 N ATOM 0 H ASN A 87 2.231 -2.708 -15.659 1.00 0.97 H new ATOM 0 HA ASN A 87 1.420 -2.308 -18.264 1.00 0.93 H new ATOM 0 HB2 ASN A 87 -0.210 -4.294 -18.463 1.00 0.95 H new ATOM 0 HB3 ASN A 87 1.472 -4.618 -18.834 1.00 0.95 H new ATOM 0 HD21 ASN A 87 1.919 -7.068 -16.414 1.00 1.56 H new ATOM 0 HD22 ASN A 87 2.470 -6.214 -17.859 1.00 1.56 H new ATOM 1313 N PHE A 88 -1.124 -2.288 -17.311 1.00 0.88 N ATOM 1314 CA PHE A 88 -2.354 -1.900 -16.641 1.00 0.88 C ATOM 1315 C PHE A 88 -3.505 -2.831 -17.028 1.00 0.86 C ATOM 1316 O PHE A 88 -4.608 -2.371 -17.321 1.00 0.92 O ATOM 1317 CB PHE A 88 -2.685 -0.480 -17.103 1.00 0.96 C ATOM 1318 CG PHE A 88 -1.653 0.569 -16.681 1.00 0.94 C ATOM 1319 CD1 PHE A 88 -0.492 0.698 -17.378 1.00 2.07 C ATOM 1320 CD2 PHE A 88 -1.896 1.370 -15.610 1.00 1.61 C ATOM 1321 CE1 PHE A 88 0.465 1.670 -16.987 1.00 2.03 C ATOM 1322 CE2 PHE A 88 -0.938 2.343 -15.219 1.00 1.74 C ATOM 1323 CZ PHE A 88 0.222 2.473 -15.916 1.00 1.07 C ATOM 0 H PHE A 88 -1.206 -2.402 -18.321 1.00 0.88 H new ATOM 0 HA PHE A 88 -2.224 -1.956 -15.560 1.00 0.88 H new ATOM 0 HB2 PHE A 88 -2.771 -0.473 -18.190 1.00 0.96 H new ATOM 0 HB3 PHE A 88 -3.659 -0.197 -16.704 1.00 0.96 H new ATOM 0 HD1 PHE A 88 -0.299 0.061 -18.228 1.00 2.07 H new ATOM 0 HD2 PHE A 88 -2.818 1.267 -15.056 1.00 1.61 H new ATOM 0 HE1 PHE A 88 1.387 1.772 -17.540 1.00 2.03 H new ATOM 0 HE2 PHE A 88 -1.131 2.979 -14.368 1.00 1.74 H new ATOM 0 HZ PHE A 88 0.950 3.213 -15.620 1.00 1.07 H new ATOM 1333 N ILE A 89 -3.210 -4.122 -17.015 1.00 0.82 N ATOM 1334 CA ILE A 89 -4.181 -5.117 -17.437 1.00 0.87 C ATOM 1335 C ILE A 89 -5.332 -5.159 -16.430 1.00 0.83 C ATOM 1336 O ILE A 89 -6.467 -5.463 -16.791 1.00 0.92 O ATOM 1337 CB ILE A 89 -3.503 -6.471 -17.653 1.00 0.92 C ATOM 1338 CG1 ILE A 89 -2.567 -6.429 -18.863 1.00 1.04 C ATOM 1339 CG2 ILE A 89 -4.539 -7.591 -17.769 1.00 1.02 C ATOM 1340 CD1 ILE A 89 -1.497 -7.517 -18.766 1.00 1.08 C ATOM 0 H ILE A 89 -2.311 -4.503 -16.719 1.00 0.82 H new ATOM 0 HA ILE A 89 -4.610 -4.845 -18.401 1.00 0.87 H new ATOM 0 HB ILE A 89 -2.890 -6.689 -16.779 1.00 0.92 H new ATOM 0 HG12 ILE A 89 -3.144 -6.562 -19.778 1.00 1.04 H new ATOM 0 HG13 ILE A 89 -2.091 -5.450 -18.925 1.00 1.04 H new ATOM 0 HG21 ILE A 89 -4.030 -8.543 -17.922 1.00 1.02 H new ATOM 0 HG22 ILE A 89 -5.128 -7.638 -16.853 1.00 1.02 H new ATOM 0 HG23 ILE A 89 -5.197 -7.391 -18.614 1.00 1.02 H new ATOM 0 HD11 ILE A 89 -0.845 -7.465 -19.638 1.00 1.08 H new ATOM 0 HD12 ILE A 89 -0.906 -7.367 -17.862 1.00 1.08 H new ATOM 0 HD13 ILE A 89 -1.976 -8.496 -18.728 1.00 1.08 H new ATOM 1352 N LEU A 90 -4.998 -4.850 -15.185 1.00 0.74 N ATOM 1353 CA LEU A 90 -5.973 -4.919 -14.110 1.00 0.69 C ATOM 1354 C LEU A 90 -6.838 -3.657 -14.129 1.00 0.66 C ATOM 1355 O LEU A 90 -6.612 -2.757 -14.936 1.00 0.87 O ATOM 1356 CB LEU A 90 -5.276 -5.167 -12.771 1.00 0.70 C ATOM 1357 CG LEU A 90 -4.414 -6.428 -12.686 1.00 1.12 C ATOM 1358 CD1 LEU A 90 -5.106 -7.612 -13.365 1.00 1.12 C ATOM 1359 CD2 LEU A 90 -3.017 -6.177 -13.258 1.00 2.90 C ATOM 0 H LEU A 90 -4.066 -4.551 -14.897 1.00 0.74 H new ATOM 0 HA LEU A 90 -6.643 -5.766 -14.257 1.00 0.69 H new ATOM 0 HB2 LEU A 90 -4.647 -4.305 -12.546 1.00 0.70 H new ATOM 0 HB3 LEU A 90 -6.037 -5.218 -11.992 1.00 0.70 H new ATOM 0 HG LEU A 90 -4.290 -6.686 -11.634 1.00 1.12 H new ATOM 0 HD11 LEU A 90 -4.472 -8.496 -13.290 1.00 1.12 H new ATOM 0 HD12 LEU A 90 -6.059 -7.807 -12.874 1.00 1.12 H new ATOM 0 HD13 LEU A 90 -5.280 -7.378 -14.415 1.00 1.12 H new ATOM 0 HD21 LEU A 90 -2.425 -7.089 -13.185 1.00 2.90 H new ATOM 0 HD22 LEU A 90 -3.100 -5.880 -14.304 1.00 2.90 H new ATOM 0 HD23 LEU A 90 -2.530 -5.382 -12.693 1.00 2.90 H new ATOM 1371 N LYS A 91 -7.810 -3.632 -13.230 1.00 0.61 N ATOM 1372 CA LYS A 91 -8.733 -2.512 -13.157 1.00 0.61 C ATOM 1373 C LYS A 91 -9.048 -2.210 -11.691 1.00 0.57 C ATOM 1374 O LYS A 91 -8.522 -2.864 -10.791 1.00 0.57 O ATOM 1375 CB LYS A 91 -9.974 -2.783 -14.009 1.00 0.77 C ATOM 1376 CG LYS A 91 -9.795 -2.239 -15.428 1.00 1.19 C ATOM 1377 CD LYS A 91 -11.119 -2.264 -16.196 1.00 1.21 C ATOM 1378 CE LYS A 91 -12.009 -1.088 -15.790 1.00 1.83 C ATOM 1379 NZ LYS A 91 -11.612 0.138 -16.520 1.00 3.19 N ATOM 0 H LYS A 91 -7.979 -4.369 -12.546 1.00 0.61 H new ATOM 0 HA LYS A 91 -8.277 -1.615 -13.576 1.00 0.61 H new ATOM 0 HB2 LYS A 91 -10.165 -3.855 -14.048 1.00 0.77 H new ATOM 0 HB3 LYS A 91 -10.846 -2.321 -13.546 1.00 0.77 H new ATOM 0 HG2 LYS A 91 -9.415 -1.218 -15.385 1.00 1.19 H new ATOM 0 HG3 LYS A 91 -9.051 -2.834 -15.958 1.00 1.19 H new ATOM 0 HD2 LYS A 91 -10.923 -2.224 -17.267 1.00 1.21 H new ATOM 0 HD3 LYS A 91 -11.639 -3.202 -16.002 1.00 1.21 H new ATOM 0 HE2 LYS A 91 -13.052 -1.323 -16.002 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -11.932 -0.920 -14.716 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -12.268 0.910 -16.284 1.00 3.19 H new ATOM 0 HZ2 LYS A 91 -10.646 0.408 -16.245 1.00 3.19 H new ATOM 0 HZ3 LYS A 91 -11.643 -0.042 -17.544 1.00 3.19 H new ATOM 1393 N HIS A 92 -9.907 -1.220 -11.493 1.00 0.63 N ATOM 1394 CA HIS A 92 -10.335 -0.855 -10.155 1.00 0.60 C ATOM 1395 C HIS A 92 -11.810 -1.221 -9.970 1.00 0.63 C ATOM 1396 O HIS A 92 -12.694 -0.440 -10.317 1.00 0.73 O ATOM 1397 CB HIS A 92 -10.052 0.622 -9.876 1.00 0.62 C ATOM 1398 CG HIS A 92 -8.614 1.024 -10.102 1.00 0.83 C ATOM 1399 ND1 HIS A 92 -7.761 0.745 -11.130 1.00 1.01 N flip ATOM 1400 CD2 HIS A 92 -7.904 1.804 -9.206 1.00 2.40 C flip ATOM 1401 CE1 HIS A 92 -6.595 1.325 -10.876 1.00 0.76 C flip ATOM 1402 NE2 HIS A 92 -6.681 1.982 -9.683 1.00 1.99 N flip ATOM 0 H HIS A 92 -10.318 -0.659 -12.239 1.00 0.63 H new ATOM 0 HA HIS A 92 -9.761 -1.419 -9.420 1.00 0.60 H new ATOM 0 HB2 HIS A 92 -10.693 1.231 -10.513 1.00 0.62 H new ATOM 0 HB3 HIS A 92 -10.323 0.845 -8.844 1.00 0.62 H new ATOM 0 HD1 HIS A 92 -7.982 0.186 -11.954 1.00 1.01 H new ATOM 0 HD2 HIS A 92 -8.283 2.200 -8.276 1.00 2.40 H new ATOM 0 HE1 HIS A 92 -5.721 1.284 -11.509 1.00 0.76 H new ATOM 1410 N THR A 93 -12.028 -2.408 -9.423 1.00 0.58 N ATOM 1411 CA THR A 93 -13.379 -2.912 -9.244 1.00 0.64 C ATOM 1412 C THR A 93 -14.132 -2.065 -8.216 1.00 0.58 C ATOM 1413 O THR A 93 -15.290 -1.709 -8.430 1.00 0.66 O ATOM 1414 CB THR A 93 -13.285 -4.390 -8.862 1.00 0.69 C ATOM 1415 OG1 THR A 93 -12.234 -4.435 -7.901 1.00 0.64 O ATOM 1416 CG2 THR A 93 -12.775 -5.262 -10.012 1.00 0.82 C ATOM 0 H THR A 93 -11.292 -3.035 -9.098 1.00 0.58 H new ATOM 0 HA THR A 93 -13.955 -2.836 -10.166 1.00 0.64 H new ATOM 0 HB THR A 93 -14.266 -4.745 -8.545 1.00 0.69 H new ATOM 0 HG1 THR A 93 -12.474 -5.056 -7.182 1.00 0.64 H new ATOM 0 HG21 THR A 93 -12.727 -6.301 -9.687 1.00 0.82 H new ATOM 0 HG22 THR A 93 -13.453 -5.178 -10.861 1.00 0.82 H new ATOM 0 HG23 THR A 93 -11.780 -4.929 -10.308 1.00 0.82 H new ATOM 1424 N GLY A 94 -13.444 -1.769 -7.124 1.00 0.56 N ATOM 1425 CA GLY A 94 -14.040 -0.987 -6.054 1.00 0.52 C ATOM 1426 C GLY A 94 -13.202 -1.075 -4.777 1.00 0.47 C ATOM 1427 O GLY A 94 -11.981 -0.926 -4.821 1.00 0.42 O ATOM 0 H GLY A 94 -12.480 -2.056 -6.957 1.00 0.56 H new ATOM 0 HA2 GLY A 94 -14.127 0.054 -6.365 1.00 0.52 H new ATOM 0 HA3 GLY A 94 -15.050 -1.346 -5.856 1.00 0.52 H new ATOM 1431 N PRO A 95 -13.908 -1.324 -3.642 1.00 0.53 N ATOM 1432 CA PRO A 95 -13.241 -1.442 -2.357 1.00 0.54 C ATOM 1433 C PRO A 95 -12.512 -2.781 -2.238 1.00 0.53 C ATOM 1434 O PRO A 95 -13.101 -3.835 -2.473 1.00 0.63 O ATOM 1435 CB PRO A 95 -14.343 -1.272 -1.324 1.00 0.64 C ATOM 1436 CG PRO A 95 -15.647 -1.529 -2.060 1.00 0.70 C ATOM 1437 CD PRO A 95 -15.354 -1.498 -3.551 1.00 0.63 C ATOM 0 HA PRO A 95 -12.463 -0.691 -2.217 1.00 0.54 H new ATOM 0 HB2 PRO A 95 -14.216 -1.972 -0.498 1.00 0.64 H new ATOM 0 HB3 PRO A 95 -14.327 -0.269 -0.897 1.00 0.64 H new ATOM 0 HG2 PRO A 95 -16.064 -2.494 -1.773 1.00 0.70 H new ATOM 0 HG3 PRO A 95 -16.387 -0.772 -1.801 1.00 0.70 H new ATOM 0 HD2 PRO A 95 -15.673 -2.420 -4.036 1.00 0.63 H new ATOM 0 HD3 PRO A 95 -15.883 -0.681 -4.041 1.00 0.63 H new ATOM 1445 N GLY A 96 -11.241 -2.697 -1.872 1.00 0.64 N ATOM 1446 CA GLY A 96 -10.463 -3.892 -1.589 1.00 0.64 C ATOM 1447 C GLY A 96 -9.536 -4.233 -2.758 1.00 0.66 C ATOM 1448 O GLY A 96 -9.322 -5.404 -3.063 1.00 0.85 O ATOM 0 H GLY A 96 -10.731 -1.820 -1.765 1.00 0.64 H new ATOM 0 HA2 GLY A 96 -9.873 -3.741 -0.685 1.00 0.64 H new ATOM 0 HA3 GLY A 96 -11.133 -4.729 -1.396 1.00 0.64 H new ATOM 1452 N ILE A 97 -9.010 -3.186 -3.378 1.00 0.60 N ATOM 1453 CA ILE A 97 -8.045 -3.360 -4.451 1.00 0.59 C ATOM 1454 C ILE A 97 -6.746 -2.641 -4.083 1.00 0.55 C ATOM 1455 O ILE A 97 -6.769 -1.485 -3.662 1.00 0.59 O ATOM 1456 CB ILE A 97 -8.640 -2.910 -5.786 1.00 0.71 C ATOM 1457 CG1 ILE A 97 -8.394 -3.953 -6.876 1.00 1.93 C ATOM 1458 CG2 ILE A 97 -8.112 -1.530 -6.184 1.00 0.93 C ATOM 1459 CD1 ILE A 97 -9.309 -5.165 -6.693 1.00 0.92 C ATOM 0 H ILE A 97 -9.234 -2.215 -3.158 1.00 0.60 H new ATOM 0 HA ILE A 97 -7.802 -4.415 -4.577 1.00 0.59 H new ATOM 0 HB ILE A 97 -9.720 -2.820 -5.665 1.00 0.71 H new ATOM 0 HG12 ILE A 97 -8.566 -3.508 -7.856 1.00 1.93 H new ATOM 0 HG13 ILE A 97 -7.352 -4.272 -6.850 1.00 1.93 H new ATOM 0 HG21 ILE A 97 -8.551 -1.234 -7.137 1.00 0.93 H new ATOM 0 HG22 ILE A 97 -8.382 -0.803 -5.418 1.00 0.93 H new ATOM 0 HG23 ILE A 97 -7.027 -1.570 -6.281 1.00 0.93 H new ATOM 0 HD11 ILE A 97 -9.113 -5.891 -7.482 1.00 0.92 H new ATOM 0 HD12 ILE A 97 -9.117 -5.623 -5.723 1.00 0.92 H new ATOM 0 HD13 ILE A 97 -10.350 -4.846 -6.744 1.00 0.92 H new ATOM 1471 N LEU A 98 -5.643 -3.355 -4.253 1.00 0.57 N ATOM 1472 CA LEU A 98 -4.336 -2.801 -3.937 1.00 0.61 C ATOM 1473 C LEU A 98 -3.745 -2.155 -5.192 1.00 0.58 C ATOM 1474 O LEU A 98 -3.208 -2.846 -6.056 1.00 0.65 O ATOM 1475 CB LEU A 98 -3.438 -3.871 -3.314 1.00 0.72 C ATOM 1476 CG LEU A 98 -2.195 -3.359 -2.584 1.00 0.90 C ATOM 1477 CD1 LEU A 98 -1.910 -4.196 -1.334 1.00 0.95 C ATOM 1478 CD2 LEU A 98 -0.989 -3.305 -3.524 1.00 2.16 C ATOM 0 H LEU A 98 -5.627 -4.312 -4.605 1.00 0.57 H new ATOM 0 HA LEU A 98 -4.425 -2.016 -3.186 1.00 0.61 H new ATOM 0 HB2 LEU A 98 -4.034 -4.454 -2.611 1.00 0.72 H new ATOM 0 HB3 LEU A 98 -3.118 -4.553 -4.102 1.00 0.72 H new ATOM 0 HG LEU A 98 -2.390 -2.339 -2.252 1.00 0.90 H new ATOM 0 HD11 LEU A 98 -1.021 -3.811 -0.833 1.00 0.95 H new ATOM 0 HD12 LEU A 98 -2.762 -4.139 -0.656 1.00 0.95 H new ATOM 0 HD13 LEU A 98 -1.744 -5.234 -1.621 1.00 0.95 H new ATOM 0 HD21 LEU A 98 -0.119 -2.938 -2.979 1.00 2.16 H new ATOM 0 HD22 LEU A 98 -0.782 -4.304 -3.908 1.00 2.16 H new ATOM 0 HD23 LEU A 98 -1.206 -2.635 -4.356 1.00 2.16 H new ATOM 1490 N SER A 99 -3.862 -0.837 -5.251 1.00 0.71 N ATOM 1491 CA SER A 99 -3.414 -0.097 -6.420 1.00 0.75 C ATOM 1492 C SER A 99 -2.107 0.634 -6.107 1.00 0.79 C ATOM 1493 O SER A 99 -1.697 0.712 -4.950 1.00 0.80 O ATOM 1494 CB SER A 99 -4.480 0.898 -6.883 1.00 0.78 C ATOM 1495 OG SER A 99 -4.002 1.746 -7.922 1.00 2.00 O ATOM 0 H SER A 99 -4.260 -0.262 -4.509 1.00 0.71 H new ATOM 0 HA SER A 99 -3.241 -0.807 -7.229 1.00 0.75 H new ATOM 0 HB2 SER A 99 -5.356 0.353 -7.234 1.00 0.78 H new ATOM 0 HB3 SER A 99 -4.800 1.506 -6.037 1.00 0.78 H new ATOM 0 HG SER A 99 -4.724 1.917 -8.563 1.00 2.00 H new ATOM 1501 N MET A 100 -1.487 1.148 -7.160 1.00 0.89 N ATOM 1502 CA MET A 100 -0.228 1.856 -7.014 1.00 0.98 C ATOM 1503 C MET A 100 -0.429 3.367 -7.152 1.00 0.96 C ATOM 1504 O MET A 100 -1.208 3.819 -7.990 1.00 1.20 O ATOM 1505 CB MET A 100 0.757 1.373 -8.081 1.00 1.27 C ATOM 1506 CG MET A 100 1.073 -0.114 -7.901 1.00 1.58 C ATOM 1507 SD MET A 100 1.918 -0.374 -6.351 1.00 2.09 S ATOM 1508 CE MET A 100 3.573 0.114 -6.812 1.00 1.33 C ATOM 0 H MET A 100 -1.834 1.088 -8.117 1.00 0.89 H new ATOM 0 HA MET A 100 0.169 1.650 -6.020 1.00 0.98 H new ATOM 0 HB2 MET A 100 0.337 1.542 -9.072 1.00 1.27 H new ATOM 0 HB3 MET A 100 1.677 1.954 -8.022 1.00 1.27 H new ATOM 0 HG2 MET A 100 0.151 -0.696 -7.924 1.00 1.58 H new ATOM 0 HG3 MET A 100 1.693 -0.465 -8.726 1.00 1.58 H new ATOM 0 HE1 MET A 100 4.069 0.571 -5.956 1.00 1.33 H new ATOM 0 HE2 MET A 100 4.135 -0.763 -7.132 1.00 1.33 H new ATOM 0 HE3 MET A 100 3.526 0.833 -7.630 1.00 1.33 H new ATOM 1518 N ALA A 101 0.286 4.105 -6.317 1.00 0.91 N ATOM 1519 CA ALA A 101 0.158 5.553 -6.299 1.00 1.04 C ATOM 1520 C ALA A 101 1.237 6.167 -7.194 1.00 1.36 C ATOM 1521 O ALA A 101 1.542 5.635 -8.260 1.00 2.23 O ATOM 1522 CB ALA A 101 0.239 6.056 -4.857 1.00 0.95 C ATOM 0 H ALA A 101 0.957 3.728 -5.647 1.00 0.91 H new ATOM 0 HA ALA A 101 -0.811 5.858 -6.695 1.00 1.04 H new ATOM 0 HB1 ALA A 101 0.143 7.142 -4.844 1.00 0.95 H new ATOM 0 HB2 ALA A 101 -0.567 5.614 -4.272 1.00 0.95 H new ATOM 0 HB3 ALA A 101 1.199 5.772 -4.426 1.00 0.95 H new ATOM 1528 N ASN A 102 1.787 7.278 -6.725 1.00 1.74 N ATOM 1529 CA ASN A 102 2.991 7.827 -7.325 1.00 2.06 C ATOM 1530 C ASN A 102 2.622 9.044 -8.176 1.00 1.72 C ATOM 1531 O ASN A 102 1.456 9.238 -8.516 1.00 1.54 O ATOM 1532 CB ASN A 102 3.670 6.802 -8.234 1.00 2.24 C ATOM 1533 CG ASN A 102 5.119 7.201 -8.524 1.00 4.04 C ATOM 1534 OD1 ASN A 102 5.535 7.350 -9.660 1.00 4.65 O ATOM 1535 ND2 ASN A 102 5.863 7.365 -7.433 1.00 5.97 N ATOM 0 H ASN A 102 1.421 7.812 -5.937 1.00 1.74 H new ATOM 0 HA ASN A 102 3.673 8.103 -6.521 1.00 2.06 H new ATOM 0 HB2 ASN A 102 3.647 5.820 -7.762 1.00 2.24 H new ATOM 0 HB3 ASN A 102 3.118 6.718 -9.170 1.00 2.24 H new ATOM 0 HD21 ASN A 102 6.844 7.631 -7.520 1.00 5.97 H new ATOM 0 HD22 ASN A 102 5.452 7.224 -6.510 1.00 5.97 H new ATOM 1542 N ALA A 103 3.638 9.832 -8.497 1.00 1.81 N ATOM 1543 CA ALA A 103 3.412 11.166 -9.027 1.00 1.87 C ATOM 1544 C ALA A 103 4.128 11.304 -10.372 1.00 1.76 C ATOM 1545 O ALA A 103 4.431 12.414 -10.807 1.00 2.15 O ATOM 1546 CB ALA A 103 3.881 12.206 -8.008 1.00 2.43 C ATOM 0 H ALA A 103 4.620 9.572 -8.400 1.00 1.81 H new ATOM 0 HA ALA A 103 2.349 11.335 -9.200 1.00 1.87 H new ATOM 0 HB1 ALA A 103 3.712 13.207 -8.405 1.00 2.43 H new ATOM 0 HB2 ALA A 103 3.322 12.084 -7.080 1.00 2.43 H new ATOM 0 HB3 ALA A 103 4.944 12.069 -7.811 1.00 2.43 H new ATOM 1552 N GLY A 104 4.378 10.161 -10.993 1.00 1.46 N ATOM 1553 CA GLY A 104 5.018 10.142 -12.297 1.00 1.55 C ATOM 1554 C GLY A 104 5.145 8.711 -12.825 1.00 1.51 C ATOM 1555 O GLY A 104 4.887 7.753 -12.099 1.00 1.50 O ATOM 0 H GLY A 104 4.149 9.241 -10.617 1.00 1.46 H new ATOM 0 HA2 GLY A 104 4.439 10.742 -12.999 1.00 1.55 H new ATOM 0 HA3 GLY A 104 6.006 10.597 -12.228 1.00 1.55 H new ATOM 1559 N PRO A 105 5.552 8.611 -14.119 1.00 1.55 N ATOM 1560 CA PRO A 105 5.779 7.313 -14.733 1.00 1.58 C ATOM 1561 C PRO A 105 7.087 6.693 -14.237 1.00 1.50 C ATOM 1562 O PRO A 105 8.076 7.397 -14.037 1.00 1.58 O ATOM 1563 CB PRO A 105 5.780 7.580 -16.229 1.00 1.72 C ATOM 1564 CG PRO A 105 6.017 9.074 -16.386 1.00 1.73 C ATOM 1565 CD PRO A 105 5.807 9.724 -15.028 1.00 1.62 C ATOM 0 HA PRO A 105 5.011 6.585 -14.472 1.00 1.58 H new ATOM 0 HB2 PRO A 105 6.561 7.006 -16.728 1.00 1.72 H new ATOM 0 HB3 PRO A 105 4.832 7.286 -16.679 1.00 1.72 H new ATOM 0 HG2 PRO A 105 7.027 9.264 -16.748 1.00 1.73 H new ATOM 0 HG3 PRO A 105 5.330 9.494 -17.121 1.00 1.73 H new ATOM 0 HD2 PRO A 105 6.685 10.292 -14.721 1.00 1.62 H new ATOM 0 HD3 PRO A 105 4.968 10.419 -15.048 1.00 1.62 H new ATOM 1573 N ASN A 106 7.050 5.381 -14.051 1.00 1.42 N ATOM 1574 CA ASN A 106 8.255 4.636 -13.732 1.00 1.37 C ATOM 1575 C ASN A 106 8.967 5.304 -12.554 1.00 1.29 C ATOM 1576 O ASN A 106 10.195 5.359 -12.514 1.00 1.30 O ATOM 1577 CB ASN A 106 9.222 4.619 -14.919 1.00 1.44 C ATOM 1578 CG ASN A 106 8.514 4.159 -16.196 1.00 2.30 C ATOM 1579 OD1 ASN A 106 7.496 3.488 -16.163 1.00 3.21 O ATOM 1580 ND2 ASN A 106 9.110 4.555 -17.317 1.00 2.95 N ATOM 0 H ASN A 106 6.204 4.815 -14.115 1.00 1.42 H new ATOM 0 HA ASN A 106 7.964 3.614 -13.487 1.00 1.37 H new ATOM 0 HB2 ASN A 106 9.638 5.615 -15.068 1.00 1.44 H new ATOM 0 HB3 ASN A 106 10.058 3.954 -14.702 1.00 1.44 H new ATOM 0 HD21 ASN A 106 8.716 4.298 -18.222 1.00 2.95 H new ATOM 0 HD22 ASN A 106 9.961 5.116 -17.272 1.00 2.95 H new ATOM 1587 N THR A 107 8.164 5.796 -11.622 1.00 1.31 N ATOM 1588 CA THR A 107 8.692 6.573 -10.513 1.00 1.38 C ATOM 1589 C THR A 107 8.207 5.997 -9.180 1.00 1.57 C ATOM 1590 O THR A 107 8.528 6.528 -8.118 1.00 2.13 O ATOM 1591 CB THR A 107 8.291 8.034 -10.726 1.00 1.35 C ATOM 1592 OG1 THR A 107 9.249 8.523 -11.662 1.00 2.60 O ATOM 1593 CG2 THR A 107 8.518 8.890 -9.478 1.00 2.16 C ATOM 0 H THR A 107 7.152 5.672 -11.612 1.00 1.31 H new ATOM 0 HA THR A 107 9.780 6.522 -10.477 1.00 1.38 H new ATOM 0 HB THR A 107 7.241 8.085 -11.015 1.00 1.35 H new ATOM 0 HG1 THR A 107 9.006 8.226 -12.564 1.00 2.60 H new ATOM 0 HG21 THR A 107 8.218 9.918 -9.682 1.00 2.16 H new ATOM 0 HG22 THR A 107 7.924 8.495 -8.653 1.00 2.16 H new ATOM 0 HG23 THR A 107 9.574 8.867 -9.208 1.00 2.16 H new ATOM 1601 N ASN A 108 7.443 4.921 -9.280 1.00 1.48 N ATOM 1602 CA ASN A 108 6.783 4.360 -8.113 1.00 1.72 C ATOM 1603 C ASN A 108 7.736 3.392 -7.410 1.00 1.46 C ATOM 1604 O ASN A 108 8.478 2.660 -8.065 1.00 1.54 O ATOM 1605 CB ASN A 108 5.527 3.582 -8.511 1.00 2.20 C ATOM 1606 CG ASN A 108 4.719 3.177 -7.277 1.00 3.60 C ATOM 1607 OD1 ASN A 108 5.238 2.634 -6.315 1.00 4.50 O ATOM 1608 ND2 ASN A 108 3.424 3.469 -7.357 1.00 4.84 N ATOM 0 H ASN A 108 7.265 4.422 -10.151 1.00 1.48 H new ATOM 0 HA ASN A 108 6.504 5.183 -7.455 1.00 1.72 H new ATOM 0 HB2 ASN A 108 4.910 4.193 -9.170 1.00 2.20 H new ATOM 0 HB3 ASN A 108 5.809 2.692 -9.074 1.00 2.20 H new ATOM 0 HD21 ASN A 108 2.800 3.238 -6.584 1.00 4.84 H new ATOM 0 HD22 ASN A 108 3.054 3.924 -8.192 1.00 4.84 H new ATOM 1615 N GLY A 109 7.684 3.417 -6.086 1.00 1.51 N ATOM 1616 CA GLY A 109 8.412 2.444 -5.291 1.00 1.58 C ATOM 1617 C GLY A 109 7.906 2.428 -3.846 1.00 1.84 C ATOM 1618 O GLY A 109 8.053 3.411 -3.122 1.00 3.52 O ATOM 0 H GLY A 109 7.149 4.096 -5.545 1.00 1.51 H new ATOM 0 HA2 GLY A 109 8.300 1.453 -5.730 1.00 1.58 H new ATOM 0 HA3 GLY A 109 9.476 2.680 -5.305 1.00 1.58 H new ATOM 1622 N SER A 110 7.319 1.301 -3.471 1.00 1.26 N ATOM 1623 CA SER A 110 6.854 1.117 -2.107 1.00 1.64 C ATOM 1624 C SER A 110 5.493 1.792 -1.924 1.00 1.45 C ATOM 1625 O SER A 110 4.534 1.155 -1.491 1.00 2.20 O ATOM 1626 CB SER A 110 7.863 1.676 -1.101 1.00 2.25 C ATOM 1627 OG SER A 110 7.790 1.006 0.155 1.00 3.46 O ATOM 0 H SER A 110 7.155 0.506 -4.088 1.00 1.26 H new ATOM 0 HA SER A 110 6.751 0.048 -1.921 1.00 1.64 H new ATOM 0 HB2 SER A 110 8.870 1.579 -1.506 1.00 2.25 H new ATOM 0 HB3 SER A 110 7.679 2.740 -0.956 1.00 2.25 H new ATOM 0 HG SER A 110 8.450 1.390 0.769 1.00 3.46 H new ATOM 1633 N GLN A 111 5.451 3.072 -2.263 1.00 1.38 N ATOM 1634 CA GLN A 111 4.236 3.850 -2.098 1.00 1.63 C ATOM 1635 C GLN A 111 3.061 3.151 -2.784 1.00 1.50 C ATOM 1636 O GLN A 111 2.892 3.258 -3.997 1.00 1.96 O ATOM 1637 CB GLN A 111 4.418 5.271 -2.637 1.00 1.87 C ATOM 1638 CG GLN A 111 4.901 5.250 -4.088 1.00 3.10 C ATOM 1639 CD GLN A 111 5.980 6.309 -4.323 1.00 3.88 C ATOM 1640 OE1 GLN A 111 5.714 7.419 -4.753 1.00 4.73 O ATOM 1641 NE2 GLN A 111 7.210 5.905 -4.017 1.00 4.31 N ATOM 0 H GLN A 111 6.239 3.590 -2.651 1.00 1.38 H new ATOM 0 HA GLN A 111 4.018 3.925 -1.033 1.00 1.63 H new ATOM 0 HB2 GLN A 111 3.474 5.812 -2.572 1.00 1.87 H new ATOM 0 HB3 GLN A 111 5.137 5.809 -2.019 1.00 1.87 H new ATOM 0 HG2 GLN A 111 5.296 4.263 -4.329 1.00 3.10 H new ATOM 0 HG3 GLN A 111 4.060 5.428 -4.758 1.00 3.10 H new ATOM 0 HE21 GLN A 111 7.363 4.961 -3.661 1.00 4.31 H new ATOM 0 HE22 GLN A 111 8.000 6.539 -4.138 1.00 4.31 H new ATOM 1650 N PHE A 112 2.278 2.451 -1.976 1.00 1.17 N ATOM 1651 CA PHE A 112 1.092 1.779 -2.480 1.00 1.00 C ATOM 1652 C PHE A 112 -0.168 2.593 -2.183 1.00 1.26 C ATOM 1653 O PHE A 112 -0.102 3.628 -1.521 1.00 1.81 O ATOM 1654 CB PHE A 112 0.999 0.434 -1.756 1.00 1.15 C ATOM 1655 CG PHE A 112 1.034 0.545 -0.231 1.00 1.82 C ATOM 1656 CD1 PHE A 112 -0.056 1.000 0.443 1.00 3.33 C ATOM 1657 CD2 PHE A 112 2.156 0.187 0.451 1.00 2.39 C ATOM 1658 CE1 PHE A 112 -0.022 1.103 1.859 1.00 4.18 C ATOM 1659 CE2 PHE A 112 2.189 0.290 1.866 1.00 2.97 C ATOM 1660 CZ PHE A 112 1.099 0.746 2.540 1.00 3.56 C ATOM 0 H PHE A 112 2.442 2.335 -0.976 1.00 1.17 H new ATOM 0 HA PHE A 112 1.165 1.656 -3.561 1.00 1.00 H new ATOM 0 HB2 PHE A 112 0.076 -0.064 -2.053 1.00 1.15 H new ATOM 0 HB3 PHE A 112 1.823 -0.201 -2.083 1.00 1.15 H new ATOM 0 HD1 PHE A 112 -0.947 1.283 -0.098 1.00 3.33 H new ATOM 0 HD2 PHE A 112 3.021 -0.175 -0.085 1.00 2.39 H new ATOM 0 HE1 PHE A 112 -0.887 1.465 2.395 1.00 4.18 H new ATOM 0 HE2 PHE A 112 3.079 0.006 2.408 1.00 2.97 H new ATOM 0 HZ PHE A 112 1.124 0.824 3.617 1.00 3.56 H new ATOM 1670 N PHE A 113 -1.288 2.096 -2.686 1.00 1.07 N ATOM 1671 CA PHE A 113 -2.554 2.793 -2.531 1.00 1.47 C ATOM 1672 C PHE A 113 -3.729 1.814 -2.577 1.00 1.39 C ATOM 1673 O PHE A 113 -4.131 1.373 -3.652 1.00 1.92 O ATOM 1674 CB PHE A 113 -2.672 3.770 -3.701 1.00 1.91 C ATOM 1675 CG PHE A 113 -4.112 4.042 -4.142 1.00 2.83 C ATOM 1676 CD1 PHE A 113 -5.075 4.279 -3.210 1.00 3.42 C ATOM 1677 CD2 PHE A 113 -4.430 4.047 -5.464 1.00 4.32 C ATOM 1678 CE1 PHE A 113 -6.411 4.532 -3.618 1.00 5.14 C ATOM 1679 CE2 PHE A 113 -5.767 4.299 -5.872 1.00 5.87 C ATOM 1680 CZ PHE A 113 -6.729 4.536 -4.940 1.00 6.15 C ATOM 0 H PHE A 113 -1.346 1.218 -3.202 1.00 1.07 H new ATOM 0 HA PHE A 113 -2.582 3.305 -1.569 1.00 1.47 H new ATOM 0 HB2 PHE A 113 -2.204 4.714 -3.421 1.00 1.91 H new ATOM 0 HB3 PHE A 113 -2.112 3.375 -4.549 1.00 1.91 H new ATOM 0 HD1 PHE A 113 -4.823 4.275 -2.160 1.00 3.42 H new ATOM 0 HD2 PHE A 113 -3.666 3.859 -6.204 1.00 4.32 H new ATOM 0 HE1 PHE A 113 -7.175 4.721 -2.878 1.00 5.14 H new ATOM 0 HE2 PHE A 113 -6.020 4.302 -6.922 1.00 5.87 H new ATOM 0 HZ PHE A 113 -7.746 4.727 -5.250 1.00 6.15 H new ATOM 1690 N ILE A 114 -4.246 1.503 -1.397 1.00 1.11 N ATOM 1691 CA ILE A 114 -5.367 0.586 -1.290 1.00 0.98 C ATOM 1692 C ILE A 114 -6.676 1.375 -1.361 1.00 0.77 C ATOM 1693 O ILE A 114 -6.776 2.468 -0.805 1.00 1.16 O ATOM 1694 CB ILE A 114 -5.236 -0.275 -0.032 1.00 1.10 C ATOM 1695 CG1 ILE A 114 -3.924 -1.064 -0.041 1.00 1.39 C ATOM 1696 CG2 ILE A 114 -6.452 -1.187 0.138 1.00 1.07 C ATOM 1697 CD1 ILE A 114 -3.419 -1.305 1.383 1.00 1.50 C ATOM 0 H ILE A 114 -3.909 1.870 -0.507 1.00 1.11 H new ATOM 0 HA ILE A 114 -5.369 -0.111 -2.128 1.00 0.98 H new ATOM 0 HB ILE A 114 -5.207 0.387 0.833 1.00 1.10 H new ATOM 0 HG12 ILE A 114 -4.074 -2.019 -0.544 1.00 1.39 H new ATOM 0 HG13 ILE A 114 -3.171 -0.518 -0.610 1.00 1.39 H new ATOM 0 HG21 ILE A 114 -6.333 -1.788 1.040 1.00 1.07 H new ATOM 0 HG22 ILE A 114 -7.353 -0.580 0.223 1.00 1.07 H new ATOM 0 HG23 ILE A 114 -6.538 -1.844 -0.727 1.00 1.07 H new ATOM 0 HD11 ILE A 114 -2.486 -1.867 1.348 1.00 1.50 H new ATOM 0 HD12 ILE A 114 -3.247 -0.348 1.875 1.00 1.50 H new ATOM 0 HD13 ILE A 114 -4.163 -1.872 1.942 1.00 1.50 H new ATOM 1709 N CYS A 115 -7.645 0.791 -2.050 1.00 0.61 N ATOM 1710 CA CYS A 115 -8.946 1.421 -2.193 1.00 0.67 C ATOM 1711 C CYS A 115 -9.893 0.807 -1.161 1.00 0.69 C ATOM 1712 O CYS A 115 -9.913 -0.410 -0.978 1.00 0.98 O ATOM 1713 CB CYS A 115 -9.487 1.284 -3.618 1.00 0.95 C ATOM 1714 SG CYS A 115 -8.227 1.842 -4.823 1.00 1.29 S ATOM 0 H CYS A 115 -7.555 -0.112 -2.515 1.00 0.61 H new ATOM 0 HA CYS A 115 -8.857 2.492 -2.010 1.00 0.67 H new ATOM 0 HB2 CYS A 115 -9.756 0.246 -3.815 1.00 0.95 H new ATOM 0 HB3 CYS A 115 -10.396 1.876 -3.729 1.00 0.95 H new ATOM 0 HG CYS A 115 -7.787 3.016 -4.479 1.00 1.29 H new ATOM 1720 N THR A 116 -10.655 1.676 -0.513 1.00 0.64 N ATOM 1721 CA THR A 116 -11.671 1.228 0.423 1.00 0.73 C ATOM 1722 C THR A 116 -13.064 1.622 -0.072 1.00 0.90 C ATOM 1723 O THR A 116 -14.029 1.593 0.691 1.00 1.17 O ATOM 1724 CB THR A 116 -11.331 1.801 1.801 1.00 0.71 C ATOM 1725 OG1 THR A 116 -11.349 3.213 1.603 1.00 2.08 O ATOM 1726 CG2 THR A 116 -9.890 1.502 2.220 1.00 2.12 C ATOM 0 H THR A 116 -10.589 2.688 -0.618 1.00 0.64 H new ATOM 0 HA THR A 116 -11.684 0.141 0.501 1.00 0.73 H new ATOM 0 HB THR A 116 -12.017 1.393 2.543 1.00 0.71 H new ATOM 0 HG1 THR A 116 -10.528 3.605 1.967 1.00 2.08 H new ATOM 0 HG21 THR A 116 -9.701 1.930 3.204 1.00 2.12 H new ATOM 0 HG22 THR A 116 -9.739 0.423 2.259 1.00 2.12 H new ATOM 0 HG23 THR A 116 -9.202 1.939 1.496 1.00 2.12 H new ATOM 1734 N ALA A 117 -13.125 1.980 -1.345 1.00 0.82 N ATOM 1735 CA ALA A 117 -14.358 2.491 -1.921 1.00 0.93 C ATOM 1736 C ALA A 117 -14.177 2.662 -3.431 1.00 0.87 C ATOM 1737 O ALA A 117 -13.076 2.492 -3.951 1.00 0.79 O ATOM 1738 CB ALA A 117 -14.741 3.800 -1.228 1.00 1.20 C ATOM 0 H ALA A 117 -12.341 1.927 -1.995 1.00 0.82 H new ATOM 0 HA ALA A 117 -15.176 1.788 -1.764 1.00 0.93 H new ATOM 0 HB1 ALA A 117 -15.666 4.183 -1.660 1.00 1.20 H new ATOM 0 HB2 ALA A 117 -14.886 3.619 -0.163 1.00 1.20 H new ATOM 0 HB3 ALA A 117 -13.945 4.532 -1.367 1.00 1.20 H new ATOM 1744 N LYS A 118 -15.276 2.998 -4.092 1.00 1.01 N ATOM 1745 CA LYS A 118 -15.266 3.139 -5.538 1.00 1.05 C ATOM 1746 C LYS A 118 -14.295 4.254 -5.931 1.00 1.03 C ATOM 1747 O LYS A 118 -14.524 5.421 -5.615 1.00 1.34 O ATOM 1748 CB LYS A 118 -16.687 3.346 -6.066 1.00 1.25 C ATOM 1749 CG LYS A 118 -16.856 2.710 -7.447 1.00 1.62 C ATOM 1750 CD LYS A 118 -17.242 1.235 -7.329 1.00 2.59 C ATOM 1751 CE LYS A 118 -17.670 0.669 -8.685 1.00 3.05 C ATOM 1752 NZ LYS A 118 -16.501 0.541 -9.584 1.00 3.56 N ATOM 0 H LYS A 118 -16.179 3.177 -3.652 1.00 1.01 H new ATOM 0 HA LYS A 118 -14.907 2.223 -6.007 1.00 1.05 H new ATOM 0 HB2 LYS A 118 -17.404 2.910 -5.371 1.00 1.25 H new ATOM 0 HB3 LYS A 118 -16.906 4.412 -6.123 1.00 1.25 H new ATOM 0 HG2 LYS A 118 -17.622 3.246 -8.007 1.00 1.62 H new ATOM 0 HG3 LYS A 118 -15.927 2.802 -8.010 1.00 1.62 H new ATOM 0 HD2 LYS A 118 -16.397 0.664 -6.943 1.00 2.59 H new ATOM 0 HD3 LYS A 118 -18.055 1.125 -6.612 1.00 2.59 H new ATOM 0 HE2 LYS A 118 -18.139 -0.305 -8.548 1.00 3.05 H new ATOM 0 HE3 LYS A 118 -18.416 1.321 -9.139 1.00 3.05 H new ATOM 0 HZ1 LYS A 118 -16.772 0.003 -10.432 1.00 3.56 H new ATOM 0 HZ2 LYS A 118 -16.174 1.487 -9.865 1.00 3.56 H new ATOM 0 HZ3 LYS A 118 -15.735 0.042 -9.088 1.00 3.56 H new ATOM 1766 N THR A 119 -13.230 3.857 -6.612 1.00 0.93 N ATOM 1767 CA THR A 119 -12.227 4.809 -7.055 1.00 0.94 C ATOM 1768 C THR A 119 -11.866 4.560 -8.521 1.00 0.92 C ATOM 1769 O THR A 119 -10.695 4.376 -8.853 1.00 0.85 O ATOM 1770 CB THR A 119 -11.029 4.707 -6.108 1.00 1.12 C ATOM 1771 OG1 THR A 119 -10.967 3.323 -5.774 1.00 1.52 O ATOM 1772 CG2 THR A 119 -11.280 5.403 -4.768 1.00 0.98 C ATOM 0 H THR A 119 -13.040 2.888 -6.868 1.00 0.93 H new ATOM 0 HA THR A 119 -12.605 5.830 -7.016 1.00 0.94 H new ATOM 0 HB THR A 119 -10.152 5.144 -6.585 1.00 1.12 H new ATOM 0 HG1 THR A 119 -10.050 3.089 -5.518 1.00 1.52 H new ATOM 0 HG21 THR A 119 -10.399 5.301 -4.134 1.00 0.98 H new ATOM 0 HG22 THR A 119 -11.483 6.460 -4.939 1.00 0.98 H new ATOM 0 HG23 THR A 119 -12.137 4.945 -4.275 1.00 0.98 H new ATOM 1780 N GLU A 120 -12.892 4.563 -9.358 1.00 1.23 N ATOM 1781 CA GLU A 120 -12.724 4.173 -10.748 1.00 1.31 C ATOM 1782 C GLU A 120 -12.375 5.394 -11.602 1.00 1.34 C ATOM 1783 O GLU A 120 -12.307 5.299 -12.828 1.00 1.46 O ATOM 1784 CB GLU A 120 -13.979 3.474 -11.276 1.00 1.95 C ATOM 1785 CG GLU A 120 -15.122 4.472 -11.468 1.00 2.11 C ATOM 1786 CD GLU A 120 -16.472 3.754 -11.532 1.00 2.72 C ATOM 1787 OE1 GLU A 120 -16.733 2.953 -10.608 1.00 3.81 O ATOM 1788 OE2 GLU A 120 -17.212 4.021 -12.503 1.00 2.91 O ATOM 0 H GLU A 120 -13.843 4.829 -9.101 1.00 1.23 H new ATOM 0 HA GLU A 120 -11.899 3.463 -10.810 1.00 1.31 H new ATOM 0 HB2 GLU A 120 -13.756 2.985 -12.224 1.00 1.95 H new ATOM 0 HB3 GLU A 120 -14.286 2.694 -10.579 1.00 1.95 H new ATOM 0 HG2 GLU A 120 -15.126 5.189 -10.647 1.00 2.11 H new ATOM 0 HG3 GLU A 120 -14.964 5.039 -12.385 1.00 2.11 H new ATOM 1795 N TRP A 121 -12.162 6.510 -10.923 1.00 1.41 N ATOM 1796 CA TRP A 121 -11.677 7.709 -11.586 1.00 1.60 C ATOM 1797 C TRP A 121 -10.149 7.649 -11.611 1.00 1.43 C ATOM 1798 O TRP A 121 -9.505 8.431 -12.311 1.00 1.68 O ATOM 1799 CB TRP A 121 -12.216 8.969 -10.905 1.00 1.83 C ATOM 1800 CG TRP A 121 -11.546 9.286 -9.567 1.00 1.60 C ATOM 1801 CD1 TRP A 121 -10.355 9.862 -9.356 1.00 1.53 C ATOM 1802 CD2 TRP A 121 -12.081 9.020 -8.252 1.00 1.47 C ATOM 1803 NE1 TRP A 121 -10.084 9.987 -8.008 1.00 1.34 N ATOM 1804 CE2 TRP A 121 -11.168 9.459 -7.316 1.00 1.30 C ATOM 1805 CE3 TRP A 121 -13.298 8.429 -7.868 1.00 1.54 C ATOM 1806 CZ2 TRP A 121 -11.374 9.352 -5.936 1.00 1.17 C ATOM 1807 CZ3 TRP A 121 -13.489 8.330 -6.485 1.00 1.44 C ATOM 1808 CH2 TRP A 121 -12.578 8.766 -5.529 1.00 1.26 C ATOM 0 H TRP A 121 -12.316 6.610 -9.920 1.00 1.41 H new ATOM 0 HA TRP A 121 -12.040 7.756 -12.613 1.00 1.60 H new ATOM 0 HB2 TRP A 121 -12.084 9.818 -11.576 1.00 1.83 H new ATOM 0 HB3 TRP A 121 -13.288 8.853 -10.745 1.00 1.83 H new ATOM 0 HD1 TRP A 121 -9.690 10.188 -10.142 1.00 1.53 H new ATOM 0 HE1 TRP A 121 -9.243 10.392 -7.596 1.00 1.34 H new ATOM 0 HE3 TRP A 121 -14.027 8.079 -8.584 1.00 1.54 H new ATOM 0 HZ2 TRP A 121 -10.643 9.703 -5.223 1.00 1.17 H new ATOM 0 HZ3 TRP A 121 -14.408 7.884 -6.136 1.00 1.44 H new ATOM 0 HH2 TRP A 121 -12.799 8.653 -4.478 1.00 1.26 H new ATOM 1819 N LEU A 122 -9.612 6.715 -10.840 1.00 1.09 N ATOM 1820 CA LEU A 122 -8.176 6.489 -10.827 1.00 1.03 C ATOM 1821 C LEU A 122 -7.842 5.306 -11.739 1.00 0.98 C ATOM 1822 O LEU A 122 -6.673 5.015 -11.981 1.00 1.21 O ATOM 1823 CB LEU A 122 -7.672 6.322 -9.393 1.00 0.84 C ATOM 1824 CG LEU A 122 -7.874 7.524 -8.468 1.00 0.87 C ATOM 1825 CD1 LEU A 122 -7.591 7.147 -7.011 1.00 0.80 C ATOM 1826 CD2 LEU A 122 -7.030 8.715 -8.926 1.00 1.04 C ATOM 0 H LEU A 122 -10.145 6.106 -10.220 1.00 1.09 H new ATOM 0 HA LEU A 122 -7.650 7.357 -11.225 1.00 1.03 H new ATOM 0 HB2 LEU A 122 -8.172 5.460 -8.951 1.00 0.84 H new ATOM 0 HB3 LEU A 122 -6.608 6.090 -9.428 1.00 0.84 H new ATOM 0 HG LEU A 122 -8.919 7.829 -8.525 1.00 0.87 H new ATOM 0 HD11 LEU A 122 -7.742 8.018 -6.374 1.00 0.80 H new ATOM 0 HD12 LEU A 122 -8.269 6.351 -6.703 1.00 0.80 H new ATOM 0 HD13 LEU A 122 -6.561 6.803 -6.918 1.00 0.80 H new ATOM 0 HD21 LEU A 122 -7.192 9.556 -8.252 1.00 1.04 H new ATOM 0 HD22 LEU A 122 -5.976 8.439 -8.916 1.00 1.04 H new ATOM 0 HD23 LEU A 122 -7.321 8.999 -9.937 1.00 1.04 H new ATOM 1838 N ASP A 123 -8.893 4.656 -12.218 1.00 0.91 N ATOM 1839 CA ASP A 123 -8.727 3.476 -13.050 1.00 0.85 C ATOM 1840 C ASP A 123 -8.094 3.882 -14.383 1.00 1.37 C ATOM 1841 O ASP A 123 -8.569 4.806 -15.043 1.00 3.05 O ATOM 1842 CB ASP A 123 -10.075 2.817 -13.348 1.00 0.87 C ATOM 1843 CG ASP A 123 -10.001 1.553 -14.207 1.00 0.83 C ATOM 1844 OD1 ASP A 123 -9.869 1.712 -15.440 1.00 1.94 O ATOM 1845 OD2 ASP A 123 -10.080 0.457 -13.612 1.00 1.93 O ATOM 0 H ASP A 123 -9.862 4.924 -12.046 1.00 0.91 H new ATOM 0 HA ASP A 123 -8.093 2.771 -12.512 1.00 0.85 H new ATOM 0 HB2 ASP A 123 -10.558 2.568 -12.403 1.00 0.87 H new ATOM 0 HB3 ASP A 123 -10.714 3.543 -13.851 1.00 0.87 H new ATOM 1850 N GLY A 124 -7.034 3.172 -14.740 1.00 1.19 N ATOM 1851 CA GLY A 124 -6.354 3.424 -16.000 1.00 1.30 C ATOM 1852 C GLY A 124 -5.188 4.395 -15.809 1.00 1.35 C ATOM 1853 O GLY A 124 -4.337 4.530 -16.687 1.00 1.84 O ATOM 0 H GLY A 124 -6.629 2.422 -14.179 1.00 1.19 H new ATOM 0 HA2 GLY A 124 -5.986 2.485 -16.413 1.00 1.30 H new ATOM 0 HA3 GLY A 124 -7.059 3.835 -16.722 1.00 1.30 H new ATOM 1857 N LYS A 125 -5.186 5.047 -14.655 1.00 1.38 N ATOM 1858 CA LYS A 125 -4.146 6.013 -14.344 1.00 1.52 C ATOM 1859 C LYS A 125 -3.239 5.446 -13.250 1.00 1.52 C ATOM 1860 O LYS A 125 -2.279 6.095 -12.836 1.00 2.21 O ATOM 1861 CB LYS A 125 -4.763 7.368 -13.989 1.00 1.69 C ATOM 1862 CG LYS A 125 -5.701 7.851 -15.099 1.00 3.10 C ATOM 1863 CD LYS A 125 -7.165 7.697 -14.684 1.00 4.91 C ATOM 1864 CE LYS A 125 -8.084 7.702 -15.906 1.00 6.39 C ATOM 1865 NZ LYS A 125 -8.053 9.024 -16.572 1.00 7.13 N ATOM 0 H LYS A 125 -5.888 4.925 -13.925 1.00 1.38 H new ATOM 0 HA LYS A 125 -3.519 6.192 -15.218 1.00 1.52 H new ATOM 0 HB2 LYS A 125 -5.314 7.287 -13.052 1.00 1.69 H new ATOM 0 HB3 LYS A 125 -3.972 8.102 -13.831 1.00 1.69 H new ATOM 0 HG2 LYS A 125 -5.492 8.896 -15.328 1.00 3.10 H new ATOM 0 HG3 LYS A 125 -5.516 7.282 -16.010 1.00 3.10 H new ATOM 0 HD2 LYS A 125 -7.294 6.767 -14.131 1.00 4.91 H new ATOM 0 HD3 LYS A 125 -7.443 8.508 -14.012 1.00 4.91 H new ATOM 0 HE2 LYS A 125 -7.772 6.928 -16.607 1.00 6.39 H new ATOM 0 HE3 LYS A 125 -9.104 7.465 -15.603 1.00 6.39 H new ATOM 0 HZ1 LYS A 125 -8.733 9.032 -17.359 1.00 7.13 H new ATOM 0 HZ2 LYS A 125 -8.307 9.764 -15.887 1.00 7.13 H new ATOM 0 HZ3 LYS A 125 -7.097 9.206 -16.939 1.00 7.13 H new ATOM 1879 N HIS A 126 -3.575 4.241 -12.814 1.00 1.16 N ATOM 1880 CA HIS A 126 -2.847 3.609 -11.726 1.00 1.13 C ATOM 1881 C HIS A 126 -2.804 2.096 -11.946 1.00 1.16 C ATOM 1882 O HIS A 126 -3.627 1.549 -12.679 1.00 1.96 O ATOM 1883 CB HIS A 126 -3.451 3.995 -10.373 1.00 1.09 C ATOM 1884 CG HIS A 126 -3.314 5.460 -10.036 1.00 1.26 C ATOM 1885 ND1 HIS A 126 -2.288 5.956 -9.250 1.00 0.82 N ATOM 1886 CD2 HIS A 126 -4.084 6.531 -10.385 1.00 2.62 C ATOM 1887 CE1 HIS A 126 -2.444 7.267 -9.137 1.00 0.86 C ATOM 1888 NE2 HIS A 126 -3.557 7.621 -9.841 1.00 2.22 N ATOM 0 H HIS A 126 -4.341 3.685 -13.194 1.00 1.16 H new ATOM 0 HA HIS A 126 -1.818 3.968 -11.716 1.00 1.13 H new ATOM 0 HB2 HIS A 126 -4.508 3.729 -10.369 1.00 1.09 H new ATOM 0 HB3 HIS A 126 -2.971 3.406 -9.591 1.00 1.09 H new ATOM 0 HD1 HIS A 126 -1.539 5.406 -8.829 1.00 0.82 H new ATOM 0 HD2 HIS A 126 -4.972 6.498 -10.999 1.00 2.62 H new ATOM 0 HE1 HIS A 126 -1.802 7.937 -8.584 1.00 0.86 H new ATOM 1896 N VAL A 127 -1.838 1.463 -11.300 1.00 0.79 N ATOM 1897 CA VAL A 127 -1.635 0.035 -11.469 1.00 0.72 C ATOM 1898 C VAL A 127 -2.332 -0.714 -10.331 1.00 0.71 C ATOM 1899 O VAL A 127 -2.518 -0.166 -9.246 1.00 1.06 O ATOM 1900 CB VAL A 127 -0.139 -0.275 -11.560 1.00 0.78 C ATOM 1901 CG1 VAL A 127 0.140 -1.739 -11.216 1.00 0.79 C ATOM 1902 CG2 VAL A 127 0.410 0.077 -12.944 1.00 0.88 C ATOM 0 H VAL A 127 -1.186 1.913 -10.658 1.00 0.79 H new ATOM 0 HA VAL A 127 -2.081 -0.305 -12.404 1.00 0.72 H new ATOM 0 HB VAL A 127 0.377 0.345 -10.827 1.00 0.78 H new ATOM 0 HG11 VAL A 127 1.210 -1.932 -11.288 1.00 0.79 H new ATOM 0 HG12 VAL A 127 -0.198 -1.945 -10.200 1.00 0.79 H new ATOM 0 HG13 VAL A 127 -0.393 -2.385 -11.914 1.00 0.79 H new ATOM 0 HG21 VAL A 127 1.475 -0.153 -12.982 1.00 0.88 H new ATOM 0 HG22 VAL A 127 -0.114 -0.505 -13.702 1.00 0.88 H new ATOM 0 HG23 VAL A 127 0.261 1.140 -13.135 1.00 0.88 H new ATOM 1912 N VAL A 128 -2.699 -1.955 -10.618 1.00 0.47 N ATOM 1913 CA VAL A 128 -3.292 -2.813 -9.607 1.00 0.46 C ATOM 1914 C VAL A 128 -2.690 -4.215 -9.717 1.00 0.48 C ATOM 1915 O VAL A 128 -3.179 -5.046 -10.480 1.00 0.71 O ATOM 1916 CB VAL A 128 -4.816 -2.804 -9.742 1.00 0.46 C ATOM 1917 CG1 VAL A 128 -5.474 -3.549 -8.579 1.00 0.57 C ATOM 1918 CG2 VAL A 128 -5.349 -1.374 -9.848 1.00 0.51 C ATOM 0 H VAL A 128 -2.597 -2.386 -11.537 1.00 0.47 H new ATOM 0 HA VAL A 128 -3.065 -2.440 -8.608 1.00 0.46 H new ATOM 0 HB VAL A 128 -5.073 -3.327 -10.663 1.00 0.46 H new ATOM 0 HG11 VAL A 128 -6.557 -3.528 -8.699 1.00 0.57 H new ATOM 0 HG12 VAL A 128 -5.130 -4.583 -8.569 1.00 0.57 H new ATOM 0 HG13 VAL A 128 -5.204 -3.068 -7.639 1.00 0.57 H new ATOM 0 HG21 VAL A 128 -6.435 -1.396 -9.943 1.00 0.51 H new ATOM 0 HG22 VAL A 128 -5.075 -0.816 -8.953 1.00 0.51 H new ATOM 0 HG23 VAL A 128 -4.918 -0.889 -10.724 1.00 0.51 H new ATOM 1928 N PHE A 129 -1.638 -4.434 -8.943 1.00 1.00 N ATOM 1929 CA PHE A 129 -1.040 -5.756 -8.850 1.00 0.92 C ATOM 1930 C PHE A 129 -1.212 -6.338 -7.445 1.00 1.05 C ATOM 1931 O PHE A 129 -0.262 -6.865 -6.868 1.00 1.37 O ATOM 1932 CB PHE A 129 0.454 -5.592 -9.143 1.00 1.11 C ATOM 1933 CG PHE A 129 0.757 -5.032 -10.533 1.00 3.32 C ATOM 1934 CD1 PHE A 129 -0.177 -5.113 -11.519 1.00 4.95 C ATOM 1935 CD2 PHE A 129 1.962 -4.452 -10.784 1.00 4.49 C ATOM 1936 CE1 PHE A 129 0.106 -4.593 -12.809 1.00 7.27 C ATOM 1937 CE2 PHE A 129 2.244 -3.932 -12.075 1.00 6.69 C ATOM 1938 CZ PHE A 129 1.310 -4.014 -13.060 1.00 7.93 C ATOM 0 H PHE A 129 -1.184 -3.719 -8.374 1.00 1.00 H new ATOM 0 HA PHE A 129 -1.521 -6.433 -9.556 1.00 0.92 H new ATOM 0 HB2 PHE A 129 0.890 -4.932 -8.393 1.00 1.11 H new ATOM 0 HB3 PHE A 129 0.943 -6.561 -9.038 1.00 1.11 H new ATOM 0 HD1 PHE A 129 -1.134 -5.573 -11.320 1.00 4.95 H new ATOM 0 HD2 PHE A 129 2.704 -4.387 -10.002 1.00 4.49 H new ATOM 0 HE1 PHE A 129 -0.636 -4.657 -13.592 1.00 7.27 H new ATOM 0 HE2 PHE A 129 3.200 -3.471 -12.275 1.00 6.69 H new ATOM 0 HZ PHE A 129 1.525 -3.619 -14.042 1.00 7.93 H new ATOM 1948 N GLY A 130 -2.429 -6.222 -6.936 1.00 0.91 N ATOM 1949 CA GLY A 130 -2.760 -6.807 -5.648 1.00 1.01 C ATOM 1950 C GLY A 130 -4.250 -6.641 -5.338 1.00 0.86 C ATOM 1951 O GLY A 130 -4.961 -5.937 -6.052 1.00 0.86 O ATOM 0 H GLY A 130 -3.198 -5.731 -7.392 1.00 0.91 H new ATOM 0 HA2 GLY A 130 -2.500 -7.866 -5.648 1.00 1.01 H new ATOM 0 HA3 GLY A 130 -2.167 -6.333 -4.866 1.00 1.01 H new ATOM 1955 N LYS A 131 -4.675 -7.302 -4.271 1.00 0.91 N ATOM 1956 CA LYS A 131 -6.077 -7.280 -3.889 1.00 0.84 C ATOM 1957 C LYS A 131 -6.199 -7.600 -2.397 1.00 0.80 C ATOM 1958 O LYS A 131 -5.368 -8.318 -1.843 1.00 0.97 O ATOM 1959 CB LYS A 131 -6.893 -8.212 -4.786 1.00 1.11 C ATOM 1960 CG LYS A 131 -8.209 -8.608 -4.113 1.00 1.19 C ATOM 1961 CD LYS A 131 -9.049 -9.497 -5.033 1.00 1.59 C ATOM 1962 CE LYS A 131 -10.239 -10.096 -4.279 1.00 2.01 C ATOM 1963 NZ LYS A 131 -9.829 -11.316 -3.549 1.00 2.78 N ATOM 0 H LYS A 131 -4.074 -7.855 -3.660 1.00 0.91 H new ATOM 0 HA LYS A 131 -6.496 -6.285 -4.039 1.00 0.84 H new ATOM 0 HB2 LYS A 131 -7.100 -7.719 -5.736 1.00 1.11 H new ATOM 0 HB3 LYS A 131 -6.312 -9.106 -5.011 1.00 1.11 H new ATOM 0 HG2 LYS A 131 -8.001 -9.135 -3.182 1.00 1.19 H new ATOM 0 HG3 LYS A 131 -8.773 -7.712 -3.853 1.00 1.19 H new ATOM 0 HD2 LYS A 131 -9.407 -8.913 -5.881 1.00 1.59 H new ATOM 0 HD3 LYS A 131 -8.429 -10.298 -5.437 1.00 1.59 H new ATOM 0 HE2 LYS A 131 -10.639 -9.363 -3.578 1.00 2.01 H new ATOM 0 HE3 LYS A 131 -11.038 -10.336 -4.980 1.00 2.01 H new ATOM 0 HZ1 LYS A 131 -10.156 -12.157 -4.067 1.00 2.78 H new ATOM 0 HZ2 LYS A 131 -8.792 -11.340 -3.468 1.00 2.78 H new ATOM 0 HZ3 LYS A 131 -10.250 -11.310 -2.598 1.00 2.78 H new ATOM 1977 N VAL A 132 -7.241 -7.050 -1.790 1.00 0.71 N ATOM 1978 CA VAL A 132 -7.496 -7.289 -0.379 1.00 0.67 C ATOM 1979 C VAL A 132 -8.404 -8.511 -0.229 1.00 0.73 C ATOM 1980 O VAL A 132 -9.317 -8.713 -1.028 1.00 1.10 O ATOM 1981 CB VAL A 132 -8.077 -6.029 0.268 1.00 0.76 C ATOM 1982 CG1 VAL A 132 -8.220 -6.206 1.780 1.00 0.83 C ATOM 1983 CG2 VAL A 132 -7.227 -4.801 -0.064 1.00 0.94 C ATOM 0 H VAL A 132 -7.918 -6.440 -2.249 1.00 0.71 H new ATOM 0 HA VAL A 132 -6.566 -7.509 0.146 1.00 0.67 H new ATOM 0 HB VAL A 132 -9.073 -5.868 -0.145 1.00 0.76 H new ATOM 0 HG11 VAL A 132 -8.635 -5.297 2.215 1.00 0.83 H new ATOM 0 HG12 VAL A 132 -8.886 -7.044 1.987 1.00 0.83 H new ATOM 0 HG13 VAL A 132 -7.241 -6.404 2.217 1.00 0.83 H new ATOM 0 HG21 VAL A 132 -7.661 -3.920 0.408 1.00 0.94 H new ATOM 0 HG22 VAL A 132 -6.213 -4.949 0.308 1.00 0.94 H new ATOM 0 HG23 VAL A 132 -7.200 -4.658 -1.144 1.00 0.94 H new ATOM 1993 N LYS A 133 -8.121 -9.295 0.800 1.00 0.73 N ATOM 1994 CA LYS A 133 -8.919 -10.476 1.084 1.00 0.86 C ATOM 1995 C LYS A 133 -9.138 -10.588 2.594 1.00 0.90 C ATOM 1996 O LYS A 133 -8.358 -11.234 3.291 1.00 2.57 O ATOM 1997 CB LYS A 133 -8.278 -11.718 0.461 1.00 1.28 C ATOM 1998 CG LYS A 133 -9.127 -12.963 0.726 1.00 1.62 C ATOM 1999 CD LYS A 133 -8.562 -14.178 -0.011 1.00 2.13 C ATOM 2000 CE LYS A 133 -9.108 -15.481 0.578 1.00 2.46 C ATOM 2001 NZ LYS A 133 -10.569 -15.575 0.359 1.00 4.23 N ATOM 0 H LYS A 133 -7.350 -9.136 1.448 1.00 0.73 H new ATOM 0 HA LYS A 133 -9.904 -10.390 0.625 1.00 0.86 H new ATOM 0 HB2 LYS A 133 -8.164 -11.573 -0.613 1.00 1.28 H new ATOM 0 HB3 LYS A 133 -7.278 -11.861 0.871 1.00 1.28 H new ATOM 0 HG2 LYS A 133 -9.159 -13.165 1.797 1.00 1.62 H new ATOM 0 HG3 LYS A 133 -10.153 -12.783 0.405 1.00 1.62 H new ATOM 0 HD2 LYS A 133 -8.818 -14.118 -1.069 1.00 2.13 H new ATOM 0 HD3 LYS A 133 -7.474 -14.173 0.054 1.00 2.13 H new ATOM 0 HE2 LYS A 133 -8.609 -16.333 0.116 1.00 2.46 H new ATOM 0 HE3 LYS A 133 -8.890 -15.524 1.645 1.00 2.46 H new ATOM 0 HZ1 LYS A 133 -10.905 -16.513 0.657 1.00 4.23 H new ATOM 0 HZ2 LYS A 133 -11.051 -14.842 0.916 1.00 4.23 H new ATOM 0 HZ3 LYS A 133 -10.778 -15.436 -0.650 1.00 4.23 H new ATOM 2015 N GLU A 134 -10.204 -9.949 3.054 1.00 1.23 N ATOM 2016 CA GLU A 134 -10.534 -9.967 4.469 1.00 0.96 C ATOM 2017 C GLU A 134 -9.498 -9.172 5.266 1.00 0.86 C ATOM 2018 O GLU A 134 -8.339 -9.081 4.867 1.00 1.68 O ATOM 2019 CB GLU A 134 -10.641 -11.403 4.988 1.00 1.12 C ATOM 2020 CG GLU A 134 -11.862 -11.567 5.897 1.00 1.98 C ATOM 2021 CD GLU A 134 -11.851 -12.932 6.587 1.00 2.05 C ATOM 2022 OE1 GLU A 134 -11.846 -13.941 5.849 1.00 2.31 O ATOM 2023 OE2 GLU A 134 -11.848 -12.937 7.837 1.00 2.80 O ATOM 0 H GLU A 134 -10.850 -9.416 2.472 1.00 1.23 H new ATOM 0 HA GLU A 134 -11.507 -9.494 4.602 1.00 0.96 H new ATOM 0 HB2 GLU A 134 -10.713 -12.093 4.147 1.00 1.12 H new ATOM 0 HB3 GLU A 134 -9.736 -11.664 5.537 1.00 1.12 H new ATOM 0 HG2 GLU A 134 -11.870 -10.776 6.647 1.00 1.98 H new ATOM 0 HG3 GLU A 134 -12.774 -11.459 5.310 1.00 1.98 H new ATOM 2030 N GLY A 135 -9.954 -8.616 6.379 1.00 0.67 N ATOM 2031 CA GLY A 135 -9.083 -7.830 7.235 1.00 0.70 C ATOM 2032 C GLY A 135 -9.096 -6.356 6.826 1.00 0.83 C ATOM 2033 O GLY A 135 -8.356 -5.546 7.383 1.00 1.07 O ATOM 0 H GLY A 135 -10.916 -8.695 6.708 1.00 0.67 H new ATOM 0 HA2 GLY A 135 -9.404 -7.926 8.272 1.00 0.70 H new ATOM 0 HA3 GLY A 135 -8.066 -8.218 7.179 1.00 0.70 H new ATOM 2037 N MET A 136 -9.945 -6.053 5.853 1.00 0.90 N ATOM 2038 CA MET A 136 -10.054 -4.693 5.354 1.00 1.28 C ATOM 2039 C MET A 136 -10.733 -3.784 6.381 1.00 1.18 C ATOM 2040 O MET A 136 -10.628 -2.561 6.299 1.00 1.28 O ATOM 2041 CB MET A 136 -10.865 -4.690 4.056 1.00 1.63 C ATOM 2042 CG MET A 136 -12.359 -4.851 4.342 1.00 1.51 C ATOM 2043 SD MET A 136 -13.277 -4.858 2.810 1.00 1.73 S ATOM 2044 CE MET A 136 -13.014 -3.174 2.284 1.00 1.25 C ATOM 0 H MET A 136 -10.562 -6.726 5.398 1.00 0.90 H new ATOM 0 HA MET A 136 -9.050 -4.313 5.168 1.00 1.28 H new ATOM 0 HB2 MET A 136 -10.693 -3.758 3.518 1.00 1.63 H new ATOM 0 HB3 MET A 136 -10.526 -5.499 3.409 1.00 1.63 H new ATOM 0 HG2 MET A 136 -12.536 -5.779 4.886 1.00 1.51 H new ATOM 0 HG3 MET A 136 -12.705 -4.037 4.979 1.00 1.51 H new ATOM 0 HE1 MET A 136 -13.828 -2.866 1.628 1.00 1.25 H new ATOM 0 HE2 MET A 136 -12.984 -2.521 3.156 1.00 1.25 H new ATOM 0 HE3 MET A 136 -12.068 -3.104 1.746 1.00 1.25 H new ATOM 2054 N ASN A 137 -11.412 -4.417 7.326 1.00 1.05 N ATOM 2055 CA ASN A 137 -12.123 -3.681 8.357 1.00 1.05 C ATOM 2056 C ASN A 137 -11.113 -3.073 9.333 1.00 0.90 C ATOM 2057 O ASN A 137 -11.414 -2.095 10.014 1.00 0.87 O ATOM 2058 CB ASN A 137 -13.051 -4.602 9.152 1.00 1.03 C ATOM 2059 CG ASN A 137 -12.306 -5.847 9.635 1.00 1.86 C ATOM 2060 OD1 ASN A 137 -11.417 -6.364 8.978 1.00 3.37 O ATOM 2061 ND2 ASN A 137 -12.715 -6.298 10.817 1.00 2.24 N ATOM 0 H ASN A 137 -11.485 -5.432 7.399 1.00 1.05 H new ATOM 0 HA ASN A 137 -12.714 -2.906 7.869 1.00 1.05 H new ATOM 0 HB2 ASN A 137 -13.458 -4.063 10.007 1.00 1.03 H new ATOM 0 HB3 ASN A 137 -13.896 -4.898 8.530 1.00 1.03 H new ATOM 0 HD21 ASN A 137 -12.279 -7.124 11.226 1.00 2.24 H new ATOM 0 HD22 ASN A 137 -13.465 -5.818 11.315 1.00 2.24 H new ATOM 2068 N ILE A 138 -9.934 -3.678 9.367 1.00 0.86 N ATOM 2069 CA ILE A 138 -8.836 -3.134 10.147 1.00 0.83 C ATOM 2070 C ILE A 138 -8.249 -1.924 9.419 1.00 0.93 C ATOM 2071 O ILE A 138 -7.817 -0.963 10.053 1.00 0.99 O ATOM 2072 CB ILE A 138 -7.808 -4.225 10.458 1.00 0.78 C ATOM 2073 CG1 ILE A 138 -8.247 -5.066 11.658 1.00 1.13 C ATOM 2074 CG2 ILE A 138 -6.415 -3.624 10.657 1.00 0.87 C ATOM 2075 CD1 ILE A 138 -9.430 -5.964 11.294 1.00 1.05 C ATOM 0 H ILE A 138 -9.716 -4.540 8.867 1.00 0.86 H new ATOM 0 HA ILE A 138 -9.194 -2.781 11.114 1.00 0.83 H new ATOM 0 HB ILE A 138 -7.750 -4.895 9.600 1.00 0.78 H new ATOM 0 HG12 ILE A 138 -7.413 -5.678 12.002 1.00 1.13 H new ATOM 0 HG13 ILE A 138 -8.524 -4.411 12.484 1.00 1.13 H new ATOM 0 HG21 ILE A 138 -5.703 -4.420 10.877 1.00 0.87 H new ATOM 0 HG22 ILE A 138 -6.110 -3.105 9.749 1.00 0.87 H new ATOM 0 HG23 ILE A 138 -6.438 -2.919 11.488 1.00 0.87 H new ATOM 0 HD11 ILE A 138 -9.722 -6.551 12.164 1.00 1.05 H new ATOM 0 HD12 ILE A 138 -10.270 -5.347 10.974 1.00 1.05 H new ATOM 0 HD13 ILE A 138 -9.142 -6.634 10.484 1.00 1.05 H new ATOM 2087 N VAL A 139 -8.252 -2.010 8.097 1.00 0.97 N ATOM 2088 CA VAL A 139 -7.802 -0.902 7.273 1.00 1.08 C ATOM 2089 C VAL A 139 -8.808 0.246 7.378 1.00 1.11 C ATOM 2090 O VAL A 139 -8.425 1.415 7.374 1.00 1.17 O ATOM 2091 CB VAL A 139 -7.581 -1.374 5.835 1.00 1.20 C ATOM 2092 CG1 VAL A 139 -7.212 -0.202 4.923 1.00 1.46 C ATOM 2093 CG2 VAL A 139 -6.516 -2.471 5.776 1.00 1.14 C ATOM 0 H VAL A 139 -8.559 -2.831 7.576 1.00 0.97 H new ATOM 0 HA VAL A 139 -6.842 -0.527 7.628 1.00 1.08 H new ATOM 0 HB VAL A 139 -8.518 -1.797 5.474 1.00 1.20 H new ATOM 0 HG11 VAL A 139 -7.060 -0.566 3.907 1.00 1.46 H new ATOM 0 HG12 VAL A 139 -8.018 0.532 4.929 1.00 1.46 H new ATOM 0 HG13 VAL A 139 -6.294 0.264 5.282 1.00 1.46 H new ATOM 0 HG21 VAL A 139 -6.378 -2.789 4.743 1.00 1.14 H new ATOM 0 HG22 VAL A 139 -5.574 -2.085 6.166 1.00 1.14 H new ATOM 0 HG23 VAL A 139 -6.836 -3.322 6.378 1.00 1.14 H new ATOM 2103 N GLU A 140 -10.076 -0.127 7.467 1.00 1.10 N ATOM 2104 CA GLU A 140 -11.139 0.855 7.604 1.00 1.16 C ATOM 2105 C GLU A 140 -11.098 1.491 8.995 1.00 1.09 C ATOM 2106 O GLU A 140 -11.437 2.663 9.156 1.00 1.08 O ATOM 2107 CB GLU A 140 -12.506 0.227 7.328 1.00 1.21 C ATOM 2108 CG GLU A 140 -13.507 1.280 6.849 1.00 1.32 C ATOM 2109 CD GLU A 140 -14.586 1.531 7.904 1.00 2.15 C ATOM 2110 OE1 GLU A 140 -14.253 1.391 9.100 1.00 3.56 O ATOM 2111 OE2 GLU A 140 -15.719 1.857 7.491 1.00 2.71 O ATOM 0 H GLU A 140 -10.392 -1.097 7.447 1.00 1.10 H new ATOM 0 HA GLU A 140 -10.980 1.638 6.863 1.00 1.16 H new ATOM 0 HB2 GLU A 140 -12.406 -0.554 6.574 1.00 1.21 H new ATOM 0 HB3 GLU A 140 -12.880 -0.250 8.234 1.00 1.21 H new ATOM 0 HG2 GLU A 140 -12.984 2.211 6.630 1.00 1.32 H new ATOM 0 HG3 GLU A 140 -13.972 0.949 5.920 1.00 1.32 H new ATOM 2118 N ALA A 141 -10.680 0.690 9.964 1.00 1.08 N ATOM 2119 CA ALA A 141 -10.497 1.187 11.317 1.00 1.11 C ATOM 2120 C ALA A 141 -9.500 2.348 11.300 1.00 1.09 C ATOM 2121 O ALA A 141 -9.732 3.379 11.930 1.00 1.09 O ATOM 2122 CB ALA A 141 -10.042 0.041 12.224 1.00 1.23 C ATOM 0 H ALA A 141 -10.463 -0.299 9.839 1.00 1.08 H new ATOM 0 HA ALA A 141 -11.437 1.567 11.717 1.00 1.11 H new ATOM 0 HB1 ALA A 141 -9.904 0.413 13.239 1.00 1.23 H new ATOM 0 HB2 ALA A 141 -10.798 -0.744 12.225 1.00 1.23 H new ATOM 0 HB3 ALA A 141 -9.099 -0.363 11.855 1.00 1.23 H new ATOM 2128 N MET A 142 -8.413 2.141 10.572 1.00 1.11 N ATOM 2129 CA MET A 142 -7.405 3.177 10.421 1.00 1.14 C ATOM 2130 C MET A 142 -8.010 4.444 9.811 1.00 0.98 C ATOM 2131 O MET A 142 -7.716 5.552 10.257 1.00 0.99 O ATOM 2132 CB MET A 142 -6.278 2.665 9.523 1.00 1.33 C ATOM 2133 CG MET A 142 -5.465 1.579 10.228 1.00 1.51 C ATOM 2134 SD MET A 142 -4.682 0.521 9.022 1.00 1.49 S ATOM 2135 CE MET A 142 -3.632 1.710 8.203 1.00 1.62 C ATOM 0 H MET A 142 -8.208 1.271 10.080 1.00 1.11 H new ATOM 0 HA MET A 142 -7.011 3.423 11.407 1.00 1.14 H new ATOM 0 HB2 MET A 142 -6.697 2.268 8.598 1.00 1.33 H new ATOM 0 HB3 MET A 142 -5.624 3.492 9.247 1.00 1.33 H new ATOM 0 HG2 MET A 142 -4.710 2.036 10.867 1.00 1.51 H new ATOM 0 HG3 MET A 142 -6.115 0.989 10.874 1.00 1.51 H new ATOM 0 HE1 MET A 142 -2.873 1.186 7.623 1.00 1.62 H new ATOM 0 HE2 MET A 142 -4.234 2.330 7.538 1.00 1.62 H new ATOM 0 HE3 MET A 142 -3.148 2.341 8.948 1.00 1.62 H new ATOM 2145 N GLU A 143 -8.842 4.237 8.801 1.00 0.97 N ATOM 2146 CA GLU A 143 -9.539 5.344 8.168 1.00 0.87 C ATOM 2147 C GLU A 143 -10.387 6.095 9.195 1.00 0.80 C ATOM 2148 O GLU A 143 -10.384 7.324 9.227 1.00 0.93 O ATOM 2149 CB GLU A 143 -10.398 4.854 7.000 1.00 0.90 C ATOM 2150 CG GLU A 143 -9.545 4.611 5.754 1.00 1.74 C ATOM 2151 CD GLU A 143 -10.420 4.494 4.504 1.00 1.77 C ATOM 2152 OE1 GLU A 143 -11.174 3.501 4.430 1.00 2.10 O ATOM 2153 OE2 GLU A 143 -10.314 5.402 3.652 1.00 2.73 O ATOM 0 H GLU A 143 -9.049 3.320 8.405 1.00 0.97 H new ATOM 0 HA GLU A 143 -8.796 6.033 7.766 1.00 0.87 H new ATOM 0 HB2 GLU A 143 -10.908 3.933 7.281 1.00 0.90 H new ATOM 0 HB3 GLU A 143 -11.170 5.591 6.778 1.00 0.90 H new ATOM 0 HG2 GLU A 143 -8.835 5.429 5.630 1.00 1.74 H new ATOM 0 HG3 GLU A 143 -8.962 3.699 5.881 1.00 1.74 H new ATOM 2160 N ARG A 144 -11.090 5.324 10.011 1.00 0.81 N ATOM 2161 CA ARG A 144 -12.000 5.901 10.987 1.00 0.95 C ATOM 2162 C ARG A 144 -11.258 6.892 11.884 1.00 0.89 C ATOM 2163 O ARG A 144 -11.802 7.933 12.248 1.00 1.01 O ATOM 2164 CB ARG A 144 -12.638 4.815 11.854 1.00 1.30 C ATOM 2165 CG ARG A 144 -13.938 5.313 12.489 1.00 1.66 C ATOM 2166 CD ARG A 144 -15.152 4.616 11.872 1.00 2.31 C ATOM 2167 NE ARG A 144 -15.267 4.973 10.440 1.00 3.40 N ATOM 2168 CZ ARG A 144 -15.735 4.147 9.495 1.00 4.59 C ATOM 2169 NH1 ARG A 144 -16.432 3.057 9.843 1.00 4.86 N ATOM 2170 NH2 ARG A 144 -15.506 4.411 8.202 1.00 6.26 N ATOM 0 H ARG A 144 -11.048 4.305 10.017 1.00 0.81 H new ATOM 0 HA ARG A 144 -12.787 6.421 10.440 1.00 0.95 H new ATOM 0 HB2 ARG A 144 -12.840 3.932 11.247 1.00 1.30 H new ATOM 0 HB3 ARG A 144 -11.941 4.512 12.635 1.00 1.30 H new ATOM 0 HG2 ARG A 144 -13.916 5.129 13.563 1.00 1.66 H new ATOM 0 HG3 ARG A 144 -14.024 6.391 12.352 1.00 1.66 H new ATOM 0 HD2 ARG A 144 -15.055 3.536 11.979 1.00 2.31 H new ATOM 0 HD3 ARG A 144 -16.058 4.909 12.402 1.00 2.31 H new ATOM 0 HE ARG A 144 -14.971 5.907 10.155 1.00 3.40 H new ATOM 0 HH11 ARG A 144 -16.606 2.856 10.828 1.00 4.86 H new ATOM 0 HH12 ARG A 144 -16.788 2.428 9.123 1.00 4.86 H new ATOM 0 HH21 ARG A 144 -14.975 5.241 7.937 1.00 6.26 H new ATOM 0 HH22 ARG A 144 -15.862 3.782 7.482 1.00 6.26 H new ATOM 2184 N PHE A 145 -10.027 6.533 12.216 1.00 0.88 N ATOM 2185 CA PHE A 145 -9.215 7.363 13.088 1.00 0.93 C ATOM 2186 C PHE A 145 -8.535 8.486 12.301 1.00 0.89 C ATOM 2187 O PHE A 145 -8.099 9.480 12.881 1.00 1.20 O ATOM 2188 CB PHE A 145 -8.140 6.459 13.694 1.00 1.08 C ATOM 2189 CG PHE A 145 -8.689 5.377 14.625 1.00 1.33 C ATOM 2190 CD1 PHE A 145 -9.516 5.717 15.650 1.00 2.23 C ATOM 2191 CD2 PHE A 145 -8.350 4.074 14.429 1.00 2.44 C ATOM 2192 CE1 PHE A 145 -10.027 4.713 16.514 1.00 2.47 C ATOM 2193 CE2 PHE A 145 -8.860 3.070 15.293 1.00 2.88 C ATOM 2194 CZ PHE A 145 -9.687 3.410 16.317 1.00 2.27 C ATOM 0 H PHE A 145 -9.572 5.678 11.896 1.00 0.88 H new ATOM 0 HA PHE A 145 -9.842 7.820 13.854 1.00 0.93 H new ATOM 0 HB2 PHE A 145 -7.584 5.982 12.887 1.00 1.08 H new ATOM 0 HB3 PHE A 145 -7.432 7.075 14.248 1.00 1.08 H new ATOM 0 HD1 PHE A 145 -9.784 6.751 15.807 1.00 2.23 H new ATOM 0 HD2 PHE A 145 -7.693 3.804 13.616 1.00 2.44 H new ATOM 0 HE1 PHE A 145 -10.685 4.983 17.327 1.00 2.47 H new ATOM 0 HE2 PHE A 145 -8.591 2.036 15.137 1.00 2.88 H new ATOM 0 HZ PHE A 145 -10.074 2.646 16.974 1.00 2.27 H new ATOM 2204 N GLY A 146 -8.467 8.290 10.993 1.00 0.83 N ATOM 2205 CA GLY A 146 -7.800 9.247 10.126 1.00 0.83 C ATOM 2206 C GLY A 146 -8.557 10.576 10.090 1.00 0.88 C ATOM 2207 O GLY A 146 -9.666 10.677 10.613 1.00 1.41 O ATOM 0 H GLY A 146 -8.863 7.482 10.512 1.00 0.83 H new ATOM 0 HA2 GLY A 146 -6.782 9.414 10.478 1.00 0.83 H new ATOM 0 HA3 GLY A 146 -7.726 8.839 9.118 1.00 0.83 H new ATOM 2211 N SER A 147 -7.928 11.562 9.470 1.00 1.02 N ATOM 2212 CA SER A 147 -8.532 12.879 9.352 1.00 1.25 C ATOM 2213 C SER A 147 -8.554 13.315 7.886 1.00 1.35 C ATOM 2214 O SER A 147 -7.830 12.761 7.059 1.00 2.34 O ATOM 2215 CB SER A 147 -7.783 13.907 10.201 1.00 2.03 C ATOM 2216 OG SER A 147 -6.446 14.101 9.749 1.00 3.85 O ATOM 0 H SER A 147 -7.005 11.476 9.043 1.00 1.02 H new ATOM 0 HA SER A 147 -9.556 12.820 9.722 1.00 1.25 H new ATOM 0 HB2 SER A 147 -8.316 14.857 10.174 1.00 2.03 H new ATOM 0 HB3 SER A 147 -7.770 13.578 11.240 1.00 2.03 H new ATOM 0 HG SER A 147 -6.245 15.060 9.723 1.00 3.85 H new ATOM 2222 N ARG A 148 -9.391 14.303 7.608 1.00 1.47 N ATOM 2223 CA ARG A 148 -9.639 14.712 6.235 1.00 2.13 C ATOM 2224 C ARG A 148 -8.376 15.330 5.630 1.00 2.16 C ATOM 2225 O ARG A 148 -8.233 15.385 4.409 1.00 2.52 O ATOM 2226 CB ARG A 148 -10.782 15.725 6.159 1.00 2.80 C ATOM 2227 CG ARG A 148 -10.362 17.070 6.757 1.00 2.99 C ATOM 2228 CD ARG A 148 -11.551 18.030 6.832 1.00 3.72 C ATOM 2229 NE ARG A 148 -11.102 19.356 7.312 1.00 4.79 N ATOM 2230 CZ ARG A 148 -10.541 20.288 6.529 1.00 6.02 C ATOM 2231 NH1 ARG A 148 -10.269 20.010 5.246 1.00 6.34 N ATOM 2232 NH2 ARG A 148 -10.253 21.498 7.028 1.00 7.44 N ATOM 0 H ARG A 148 -9.907 14.833 8.310 1.00 1.47 H new ATOM 0 HA ARG A 148 -9.920 13.823 5.670 1.00 2.13 H new ATOM 0 HB2 ARG A 148 -11.083 15.863 5.120 1.00 2.80 H new ATOM 0 HB3 ARG A 148 -11.650 15.340 6.694 1.00 2.80 H new ATOM 0 HG2 ARG A 148 -9.950 16.916 7.754 1.00 2.99 H new ATOM 0 HG3 ARG A 148 -9.571 17.511 6.150 1.00 2.99 H new ATOM 0 HD2 ARG A 148 -12.013 18.127 5.850 1.00 3.72 H new ATOM 0 HD3 ARG A 148 -12.311 17.629 7.503 1.00 3.72 H new ATOM 0 HE ARG A 148 -11.227 19.574 8.300 1.00 4.79 H new ATOM 0 HH11 ARG A 148 -10.489 19.089 4.866 1.00 6.34 H new ATOM 0 HH12 ARG A 148 -9.842 20.719 4.650 1.00 6.34 H new ATOM 0 HH21 ARG A 148 -10.461 21.710 8.004 1.00 7.44 H new ATOM 0 HH22 ARG A 148 -9.826 22.207 6.432 1.00 7.44 H new ATOM 2246 N ASN A 149 -7.495 15.780 6.511 1.00 2.02 N ATOM 2247 CA ASN A 149 -6.345 16.561 6.087 1.00 2.33 C ATOM 2248 C ASN A 149 -5.080 15.710 6.219 1.00 1.96 C ATOM 2249 O ASN A 149 -4.347 15.526 5.250 1.00 2.59 O ATOM 2250 CB ASN A 149 -6.173 17.805 6.959 1.00 2.82 C ATOM 2251 CG ASN A 149 -6.801 17.599 8.339 1.00 3.03 C ATOM 2252 OD1 ASN A 149 -6.711 16.540 8.938 1.00 2.91 O ATOM 2253 ND2 ASN A 149 -7.439 18.667 8.808 1.00 4.25 N ATOM 0 H ASN A 149 -7.554 15.619 7.516 1.00 2.02 H new ATOM 0 HA ASN A 149 -6.506 16.866 5.053 1.00 2.33 H new ATOM 0 HB2 ASN A 149 -5.113 18.033 7.068 1.00 2.82 H new ATOM 0 HB3 ASN A 149 -6.635 18.663 6.470 1.00 2.82 H new ATOM 0 HD21 ASN A 149 -7.891 18.631 9.722 1.00 4.25 H new ATOM 0 HD22 ASN A 149 -7.476 19.523 8.254 1.00 4.25 H new ATOM 2260 N GLY A 150 -4.863 15.216 7.429 1.00 1.75 N ATOM 2261 CA GLY A 150 -3.555 14.707 7.806 1.00 2.45 C ATOM 2262 C GLY A 150 -3.679 13.593 8.846 1.00 2.03 C ATOM 2263 O GLY A 150 -3.400 13.805 10.025 1.00 3.47 O ATOM 0 H GLY A 150 -5.571 15.157 8.161 1.00 1.75 H new ATOM 0 HA2 GLY A 150 -3.040 14.329 6.923 1.00 2.45 H new ATOM 0 HA3 GLY A 150 -2.947 15.518 8.207 1.00 2.45 H new ATOM 2267 N LYS A 151 -4.097 12.428 8.372 1.00 1.25 N ATOM 2268 CA LYS A 151 -3.792 11.187 9.061 1.00 1.73 C ATOM 2269 C LYS A 151 -4.421 11.212 10.455 1.00 1.34 C ATOM 2270 O LYS A 151 -5.073 12.187 10.827 1.00 1.69 O ATOM 2271 CB LYS A 151 -2.282 10.937 9.072 1.00 2.76 C ATOM 2272 CG LYS A 151 -1.594 11.788 10.141 1.00 2.34 C ATOM 2273 CD LYS A 151 -0.348 11.085 10.683 1.00 3.59 C ATOM 2274 CE LYS A 151 0.565 10.630 9.543 1.00 4.17 C ATOM 2275 NZ LYS A 151 0.980 11.788 8.719 1.00 4.08 N ATOM 0 H LYS A 151 -4.645 12.318 7.519 1.00 1.25 H new ATOM 0 HA LYS A 151 -4.229 10.341 8.530 1.00 1.73 H new ATOM 0 HB2 LYS A 151 -2.086 9.881 9.260 1.00 2.76 H new ATOM 0 HB3 LYS A 151 -1.864 11.169 8.092 1.00 2.76 H new ATOM 0 HG2 LYS A 151 -1.316 12.754 9.719 1.00 2.34 H new ATOM 0 HG3 LYS A 151 -2.289 11.985 10.957 1.00 2.34 H new ATOM 0 HD2 LYS A 151 0.197 11.760 11.342 1.00 3.59 H new ATOM 0 HD3 LYS A 151 -0.644 10.224 11.282 1.00 3.59 H new ATOM 0 HE2 LYS A 151 1.445 10.132 9.950 1.00 4.17 H new ATOM 0 HE3 LYS A 151 0.045 9.901 8.921 1.00 4.17 H new ATOM 0 HZ1 LYS A 151 1.514 11.452 7.892 1.00 4.08 H new ATOM 0 HZ2 LYS A 151 0.137 12.306 8.399 1.00 4.08 H new ATOM 0 HZ3 LYS A 151 1.580 12.420 9.286 1.00 4.08 H new ATOM 2289 N THR A 152 -4.203 10.132 11.189 1.00 1.40 N ATOM 2290 CA THR A 152 -4.834 9.969 12.488 1.00 1.38 C ATOM 2291 C THR A 152 -4.315 11.023 13.469 1.00 1.51 C ATOM 2292 O THR A 152 -3.337 11.712 13.183 1.00 1.95 O ATOM 2293 CB THR A 152 -4.590 8.532 12.955 1.00 1.88 C ATOM 2294 OG1 THR A 152 -3.217 8.519 13.337 1.00 2.44 O ATOM 2295 CG2 THR A 152 -4.667 7.523 11.808 1.00 2.19 C ATOM 0 H THR A 152 -3.598 9.360 10.909 1.00 1.40 H new ATOM 0 HA THR A 152 -5.911 10.128 12.428 1.00 1.38 H new ATOM 0 HB THR A 152 -5.322 8.270 13.719 1.00 1.88 H new ATOM 0 HG1 THR A 152 -2.974 7.624 13.655 1.00 2.44 H new ATOM 0 HG21 THR A 152 -4.487 6.520 12.193 1.00 2.19 H new ATOM 0 HG22 THR A 152 -5.657 7.564 11.353 1.00 2.19 H new ATOM 0 HG23 THR A 152 -3.913 7.765 11.059 1.00 2.19 H new ATOM 2303 N SER A 153 -4.993 11.112 14.604 1.00 1.67 N ATOM 2304 CA SER A 153 -4.581 12.033 15.650 1.00 2.19 C ATOM 2305 C SER A 153 -3.682 11.310 16.657 1.00 1.82 C ATOM 2306 O SER A 153 -3.782 11.541 17.861 1.00 2.30 O ATOM 2307 CB SER A 153 -5.793 12.638 16.360 1.00 3.05 C ATOM 2308 OG SER A 153 -6.680 13.279 15.447 1.00 3.79 O ATOM 0 H SER A 153 -5.824 10.562 14.822 1.00 1.67 H new ATOM 0 HA SER A 153 -4.021 12.847 15.189 1.00 2.19 H new ATOM 0 HB2 SER A 153 -6.328 11.854 16.896 1.00 3.05 H new ATOM 0 HB3 SER A 153 -5.455 13.359 17.104 1.00 3.05 H new ATOM 0 HG SER A 153 -7.442 13.651 15.938 1.00 3.79 H new ATOM 2314 N LYS A 154 -2.825 10.451 16.126 1.00 1.34 N ATOM 2315 CA LYS A 154 -1.872 9.735 16.957 1.00 1.28 C ATOM 2316 C LYS A 154 -0.676 9.308 16.104 1.00 1.29 C ATOM 2317 O LYS A 154 0.180 10.127 15.775 1.00 1.55 O ATOM 2318 CB LYS A 154 -2.559 8.572 17.679 1.00 1.33 C ATOM 2319 CG LYS A 154 -3.548 7.861 16.754 1.00 2.52 C ATOM 2320 CD LYS A 154 -4.989 8.077 17.222 1.00 2.58 C ATOM 2321 CE LYS A 154 -5.325 7.165 18.404 1.00 3.21 C ATOM 2322 NZ LYS A 154 -6.720 7.383 18.846 1.00 4.12 N ATOM 0 H LYS A 154 -2.770 10.235 15.131 1.00 1.34 H new ATOM 0 HA LYS A 154 -1.487 10.386 17.742 1.00 1.28 H new ATOM 0 HB2 LYS A 154 -1.809 7.863 18.030 1.00 1.33 H new ATOM 0 HB3 LYS A 154 -3.082 8.944 18.560 1.00 1.33 H new ATOM 0 HG2 LYS A 154 -3.433 8.234 15.736 1.00 2.52 H new ATOM 0 HG3 LYS A 154 -3.326 6.794 16.729 1.00 2.52 H new ATOM 0 HD2 LYS A 154 -5.129 9.119 17.511 1.00 2.58 H new ATOM 0 HD3 LYS A 154 -5.676 7.879 16.399 1.00 2.58 H new ATOM 0 HE2 LYS A 154 -5.187 6.122 18.117 1.00 3.21 H new ATOM 0 HE3 LYS A 154 -4.641 7.362 19.229 1.00 3.21 H new ATOM 0 HZ1 LYS A 154 -6.932 6.756 19.649 1.00 4.12 H new ATOM 0 HZ2 LYS A 154 -6.841 8.374 19.139 1.00 4.12 H new ATOM 0 HZ3 LYS A 154 -7.370 7.172 18.062 1.00 4.12 H new ATOM 2336 N LYS A 155 -0.656 8.026 15.770 1.00 1.23 N ATOM 2337 CA LYS A 155 0.375 7.497 14.893 1.00 1.45 C ATOM 2338 C LYS A 155 -0.017 6.089 14.443 1.00 1.34 C ATOM 2339 O LYS A 155 -0.915 5.476 15.019 1.00 1.69 O ATOM 2340 CB LYS A 155 1.744 7.566 15.575 1.00 1.84 C ATOM 2341 CG LYS A 155 2.792 8.170 14.638 1.00 3.10 C ATOM 2342 CD LYS A 155 4.205 7.955 15.186 1.00 3.56 C ATOM 2343 CE LYS A 155 4.652 6.505 14.993 1.00 4.55 C ATOM 2344 NZ LYS A 155 4.618 6.137 13.561 1.00 6.27 N ATOM 0 H LYS A 155 -1.337 7.338 16.091 1.00 1.23 H new ATOM 0 HA LYS A 155 0.460 8.107 13.994 1.00 1.45 H new ATOM 0 HB2 LYS A 155 1.673 8.166 16.482 1.00 1.84 H new ATOM 0 HB3 LYS A 155 2.055 6.566 15.878 1.00 1.84 H new ATOM 0 HG2 LYS A 155 2.708 7.716 13.651 1.00 3.10 H new ATOM 0 HG3 LYS A 155 2.604 9.237 14.515 1.00 3.10 H new ATOM 0 HD2 LYS A 155 4.901 8.624 14.680 1.00 3.56 H new ATOM 0 HD3 LYS A 155 4.231 8.209 16.246 1.00 3.56 H new ATOM 0 HE2 LYS A 155 5.661 6.375 15.384 1.00 4.55 H new ATOM 0 HE3 LYS A 155 4.002 5.839 15.561 1.00 4.55 H new ATOM 0 HZ1 LYS A 155 5.503 5.655 13.305 1.00 6.27 H new ATOM 0 HZ2 LYS A 155 3.814 5.501 13.385 1.00 6.27 H new ATOM 0 HZ3 LYS A 155 4.512 6.996 12.984 1.00 6.27 H new ATOM 2358 N ILE A 156 0.675 5.616 13.417 1.00 1.33 N ATOM 2359 CA ILE A 156 0.487 4.252 12.951 1.00 1.27 C ATOM 2360 C ILE A 156 1.825 3.514 12.994 1.00 1.23 C ATOM 2361 O ILE A 156 2.866 4.086 12.670 1.00 1.68 O ATOM 2362 CB ILE A 156 -0.176 4.244 11.572 1.00 1.68 C ATOM 2363 CG1 ILE A 156 -1.414 5.143 11.555 1.00 2.04 C ATOM 2364 CG2 ILE A 156 -0.498 2.816 11.127 1.00 1.70 C ATOM 2365 CD1 ILE A 156 -2.588 4.475 12.272 1.00 1.56 C ATOM 0 H ILE A 156 1.367 6.153 12.895 1.00 1.33 H new ATOM 0 HA ILE A 156 -0.195 3.715 13.610 1.00 1.27 H new ATOM 0 HB ILE A 156 0.530 4.654 10.850 1.00 1.68 H new ATOM 0 HG12 ILE A 156 -1.184 6.094 12.035 1.00 2.04 H new ATOM 0 HG13 ILE A 156 -1.692 5.366 10.525 1.00 2.04 H new ATOM 0 HG21 ILE A 156 -0.968 2.839 10.144 1.00 1.70 H new ATOM 0 HG22 ILE A 156 0.423 2.235 11.075 1.00 1.70 H new ATOM 0 HG23 ILE A 156 -1.178 2.356 11.844 1.00 1.70 H new ATOM 0 HD11 ILE A 156 -3.454 5.136 12.245 1.00 1.56 H new ATOM 0 HD12 ILE A 156 -2.832 3.536 11.774 1.00 1.56 H new ATOM 0 HD13 ILE A 156 -2.316 4.276 13.309 1.00 1.56 H new ATOM 2377 N THR A 157 1.757 2.253 13.398 1.00 0.98 N ATOM 2378 CA THR A 157 2.939 1.409 13.418 1.00 1.13 C ATOM 2379 C THR A 157 2.574 -0.030 13.049 1.00 0.98 C ATOM 2380 O THR A 157 1.590 -0.572 13.549 1.00 0.90 O ATOM 2381 CB THR A 157 3.586 1.537 14.799 1.00 1.31 C ATOM 2382 OG1 THR A 157 2.495 1.405 15.707 1.00 1.34 O ATOM 2383 CG2 THR A 157 4.126 2.942 15.067 1.00 1.53 C ATOM 0 H THR A 157 0.901 1.796 13.714 1.00 0.98 H new ATOM 0 HA THR A 157 3.666 1.728 12.671 1.00 1.13 H new ATOM 0 HB THR A 157 4.398 0.815 14.887 1.00 1.31 H new ATOM 0 HG1 THR A 157 1.806 0.832 15.310 1.00 1.34 H new ATOM 0 HG21 THR A 157 4.574 2.976 16.060 1.00 1.53 H new ATOM 0 HG22 THR A 157 4.880 3.191 14.320 1.00 1.53 H new ATOM 0 HG23 THR A 157 3.310 3.662 15.012 1.00 1.53 H new ATOM 2391 N ILE A 158 3.386 -0.607 12.176 1.00 1.02 N ATOM 2392 CA ILE A 158 3.305 -2.033 11.908 1.00 0.98 C ATOM 2393 C ILE A 158 3.859 -2.805 13.107 1.00 1.01 C ATOM 2394 O ILE A 158 4.832 -2.381 13.728 1.00 1.20 O ATOM 2395 CB ILE A 158 3.998 -2.370 10.586 1.00 1.17 C ATOM 2396 CG1 ILE A 158 3.124 -1.975 9.394 1.00 1.45 C ATOM 2397 CG2 ILE A 158 4.401 -3.845 10.539 1.00 1.35 C ATOM 2398 CD1 ILE A 158 3.834 -2.274 8.071 1.00 1.80 C ATOM 0 H ILE A 158 4.103 -0.113 11.645 1.00 1.02 H new ATOM 0 HA ILE A 158 2.266 -2.339 11.784 1.00 0.98 H new ATOM 0 HB ILE A 158 4.915 -1.784 10.521 1.00 1.17 H new ATOM 0 HG12 ILE A 158 2.180 -2.518 9.435 1.00 1.45 H new ATOM 0 HG13 ILE A 158 2.884 -0.913 9.450 1.00 1.45 H new ATOM 0 HG21 ILE A 158 4.891 -4.058 9.589 1.00 1.35 H new ATOM 0 HG22 ILE A 158 5.087 -4.061 11.358 1.00 1.35 H new ATOM 0 HG23 ILE A 158 3.512 -4.468 10.636 1.00 1.35 H new ATOM 0 HD11 ILE A 158 3.191 -1.984 7.240 1.00 1.80 H new ATOM 0 HD12 ILE A 158 4.766 -1.711 8.023 1.00 1.80 H new ATOM 0 HD13 ILE A 158 4.051 -3.340 8.007 1.00 1.80 H new ATOM 2410 N ALA A 159 3.215 -3.926 13.397 1.00 1.03 N ATOM 2411 CA ALA A 159 3.670 -4.795 14.469 1.00 1.11 C ATOM 2412 C ALA A 159 4.649 -5.826 13.904 1.00 1.15 C ATOM 2413 O ALA A 159 5.753 -5.989 14.423 1.00 1.35 O ATOM 2414 CB ALA A 159 2.462 -5.448 15.145 1.00 1.10 C ATOM 0 H ALA A 159 2.382 -4.253 12.908 1.00 1.03 H new ATOM 0 HA ALA A 159 4.199 -4.221 15.230 1.00 1.11 H new ATOM 0 HB1 ALA A 159 2.803 -6.100 15.949 1.00 1.10 H new ATOM 0 HB2 ALA A 159 1.813 -4.675 15.556 1.00 1.10 H new ATOM 0 HB3 ALA A 159 1.908 -6.035 14.412 1.00 1.10 H new ATOM 2420 N ASP A 160 4.210 -6.495 12.848 1.00 1.00 N ATOM 2421 CA ASP A 160 5.041 -7.493 12.196 1.00 1.01 C ATOM 2422 C ASP A 160 4.386 -7.916 10.880 1.00 0.97 C ATOM 2423 O ASP A 160 3.185 -7.728 10.691 1.00 1.03 O ATOM 2424 CB ASP A 160 5.192 -8.739 13.071 1.00 1.07 C ATOM 2425 CG ASP A 160 3.876 -9.373 13.526 1.00 2.34 C ATOM 2426 OD1 ASP A 160 3.288 -8.829 14.486 1.00 2.98 O ATOM 2427 OD2 ASP A 160 3.488 -10.386 12.906 1.00 3.81 O ATOM 0 H ASP A 160 3.290 -6.366 12.428 1.00 1.00 H new ATOM 0 HA ASP A 160 6.023 -7.053 12.021 1.00 1.01 H new ATOM 0 HB2 ASP A 160 5.765 -9.484 12.520 1.00 1.07 H new ATOM 0 HB3 ASP A 160 5.776 -8.476 13.953 1.00 1.07 H new ATOM 2432 N CYS A 161 5.204 -8.479 10.003 1.00 0.94 N ATOM 2433 CA CYS A 161 4.721 -8.920 8.705 1.00 0.91 C ATOM 2434 C CYS A 161 5.425 -10.230 8.350 1.00 0.92 C ATOM 2435 O CYS A 161 6.424 -10.590 8.971 1.00 1.05 O ATOM 2436 CB CYS A 161 4.929 -7.851 7.630 1.00 1.03 C ATOM 2437 SG CYS A 161 4.092 -6.299 8.122 1.00 2.22 S ATOM 0 H CYS A 161 6.198 -8.640 10.165 1.00 0.94 H new ATOM 0 HA CYS A 161 3.645 -9.088 8.753 1.00 0.91 H new ATOM 0 HB2 CYS A 161 5.994 -7.670 7.487 1.00 1.03 H new ATOM 0 HB3 CYS A 161 4.534 -8.201 6.676 1.00 1.03 H new ATOM 0 HG CYS A 161 3.688 -5.668 7.060 1.00 2.22 H new ATOM 2443 N GLY A 162 4.877 -10.909 7.353 1.00 0.94 N ATOM 2444 CA GLY A 162 5.465 -12.151 6.880 1.00 1.14 C ATOM 2445 C GLY A 162 4.618 -12.770 5.767 1.00 0.99 C ATOM 2446 O GLY A 162 3.718 -12.123 5.234 1.00 1.33 O ATOM 0 H GLY A 162 4.032 -10.622 6.859 1.00 0.94 H new ATOM 0 HA2 GLY A 162 6.474 -11.963 6.512 1.00 1.14 H new ATOM 0 HA3 GLY A 162 5.554 -12.854 7.708 1.00 1.14 H new ATOM 2450 N GLN A 163 4.935 -14.016 5.449 1.00 1.21 N ATOM 2451 CA GLN A 163 4.254 -14.710 4.369 1.00 1.20 C ATOM 2452 C GLN A 163 3.488 -15.918 4.914 1.00 1.25 C ATOM 2453 O GLN A 163 3.996 -16.646 5.765 1.00 1.38 O ATOM 2454 CB GLN A 163 5.240 -15.132 3.280 1.00 1.51 C ATOM 2455 CG GLN A 163 4.533 -15.915 2.172 1.00 1.95 C ATOM 2456 CD GLN A 163 5.444 -16.089 0.955 1.00 2.18 C ATOM 2457 OE1 GLN A 163 5.665 -15.175 0.177 1.00 2.43 O ATOM 2458 NE2 GLN A 163 5.957 -17.310 0.834 1.00 3.08 N ATOM 0 H GLN A 163 5.655 -14.564 5.920 1.00 1.21 H new ATOM 0 HA GLN A 163 3.538 -14.024 3.917 1.00 1.20 H new ATOM 0 HB2 GLN A 163 5.719 -14.249 2.857 1.00 1.51 H new ATOM 0 HB3 GLN A 163 6.029 -15.745 3.716 1.00 1.51 H new ATOM 0 HG2 GLN A 163 4.232 -16.893 2.548 1.00 1.95 H new ATOM 0 HG3 GLN A 163 3.623 -15.393 1.877 1.00 1.95 H new ATOM 0 HE21 GLN A 163 5.731 -18.029 1.521 1.00 3.08 H new ATOM 0 HE22 GLN A 163 6.577 -17.528 0.054 1.00 3.08 H new ATOM 2467 N LEU A 164 2.279 -16.093 4.401 1.00 1.26 N ATOM 2468 CA LEU A 164 1.447 -17.212 4.811 1.00 1.46 C ATOM 2469 C LEU A 164 1.904 -18.476 4.080 1.00 1.89 C ATOM 2470 O LEU A 164 1.230 -18.946 3.165 1.00 2.27 O ATOM 2471 CB LEU A 164 -0.033 -16.883 4.605 1.00 1.20 C ATOM 2472 CG LEU A 164 -0.592 -15.744 5.461 1.00 1.18 C ATOM 2473 CD1 LEU A 164 -1.888 -15.195 4.863 1.00 1.24 C ATOM 2474 CD2 LEU A 164 -0.776 -16.190 6.914 1.00 1.65 C ATOM 0 H LEU A 164 1.856 -15.479 3.705 1.00 1.26 H new ATOM 0 HA LEU A 164 1.562 -17.401 5.878 1.00 1.46 H new ATOM 0 HB2 LEU A 164 -0.186 -16.631 3.556 1.00 1.20 H new ATOM 0 HB3 LEU A 164 -0.616 -17.782 4.806 1.00 1.20 H new ATOM 0 HG LEU A 164 0.133 -14.930 5.463 1.00 1.18 H new ATOM 0 HD11 LEU A 164 -2.264 -14.387 5.490 1.00 1.24 H new ATOM 0 HD12 LEU A 164 -1.694 -14.815 3.860 1.00 1.24 H new ATOM 0 HD13 LEU A 164 -2.631 -15.991 4.812 1.00 1.24 H new ATOM 0 HD21 LEU A 164 -1.174 -15.362 7.501 1.00 1.65 H new ATOM 0 HD22 LEU A 164 -1.471 -17.029 6.952 1.00 1.65 H new ATOM 0 HD23 LEU A 164 0.186 -16.497 7.325 1.00 1.65 H new ATOM 2486 N GLU A 165 3.046 -18.991 4.512 1.00 2.21 N ATOM 2487 CA GLU A 165 3.606 -20.185 3.902 1.00 2.77 C ATOM 2488 C GLU A 165 2.769 -21.411 4.271 1.00 3.49 C ATOM 2489 O GLU A 165 2.331 -22.155 3.395 1.00 3.55 O ATOM 2490 CB GLU A 165 5.067 -20.375 4.312 1.00 3.47 C ATOM 2491 CG GLU A 165 5.773 -21.365 3.383 1.00 4.03 C ATOM 2492 CD GLU A 165 6.385 -20.646 2.179 1.00 4.30 C ATOM 2493 OE1 GLU A 165 5.633 -19.890 1.527 1.00 4.63 O ATOM 2494 OE2 GLU A 165 7.592 -20.868 1.939 1.00 5.05 O ATOM 0 H GLU A 165 3.598 -18.603 5.277 1.00 2.21 H new ATOM 0 HA GLU A 165 3.579 -20.064 2.819 1.00 2.77 H new ATOM 0 HB2 GLU A 165 5.583 -19.415 4.287 1.00 3.47 H new ATOM 0 HB3 GLU A 165 5.116 -20.736 5.339 1.00 3.47 H new ATOM 0 HG2 GLU A 165 6.554 -21.891 3.932 1.00 4.03 H new ATOM 0 HG3 GLU A 165 5.063 -22.117 3.040 1.00 4.03 H new TER 2501 GLU A 165 HETATM 2502 N DAL B 201 -9.221 17.897 -5.322 1.00 2.26 N HETATM 2503 CA DAL B 201 -9.929 16.653 -5.567 1.00 2.07 C HETATM 2504 CB DAL B 201 -11.411 16.835 -5.238 1.00 2.07 C HETATM 2505 C DAL B 201 -9.283 15.534 -4.747 1.00 1.78 C HETATM 2506 O DAL B 201 -8.580 15.800 -3.773 1.00 1.74 O HETATM 0 HB3 DAL B 201 -11.519 17.114 -4.190 1.00 2.07 H new HETATM 0 HB2 DAL B 201 -11.830 17.620 -5.867 1.00 2.07 H new HETATM 0 HB1 DAL B 201 -11.942 15.901 -5.422 1.00 2.07 H new HETATM 0 HA DAL B 201 -9.861 16.374 -6.618 1.00 2.07 H new HETATM 0 H DAL B 201 -9.728 18.714 -4.981 1.00 2.26 H new HETATM 2512 N MLE B 202 -9.543 14.306 -5.172 1.00 1.64 N HETATM 2513 CN MLE B 202 -10.431 13.933 -6.704 1.00 1.80 C HETATM 2514 CA MLE B 202 -9.119 13.145 -4.409 1.00 1.42 C HETATM 2515 CB MLE B 202 -10.332 12.390 -3.862 1.00 1.32 C HETATM 2516 CG MLE B 202 -11.432 13.253 -3.239 1.00 1.58 C HETATM 2517 CD1 MLE B 202 -12.653 12.404 -2.875 1.00 2.62 C HETATM 2518 CD2 MLE B 202 -10.901 14.037 -2.038 1.00 1.29 C HETATM 2519 C MLE B 202 -8.197 12.282 -5.273 1.00 1.35 C HETATM 2520 O MLE B 202 -8.603 11.226 -5.759 1.00 1.30 O HETATM 0 HD23 MLE B 202 -10.534 13.342 -1.283 1.00 1.29 H new HETATM 0 HD22 MLE B 202 -10.087 14.687 -2.359 1.00 1.29 H new HETATM 0 HD21 MLE B 202 -11.703 14.642 -1.615 1.00 1.29 H new HETATM 0 HD13 MLE B 202 -13.047 11.930 -3.774 1.00 2.62 H new HETATM 0 HD12 MLE B 202 -12.362 11.637 -2.158 1.00 2.62 H new HETATM 0 HD11 MLE B 202 -13.420 13.040 -2.434 1.00 2.62 H new HETATM 0 HN3 MLE B 202 -9.791 13.345 -7.362 1.00 1.80 H new HETATM 0 HN2 MLE B 202 -11.333 13.366 -6.473 1.00 1.80 H new HETATM 0 HN1 MLE B 202 -10.705 14.863 -7.201 1.00 1.80 H new HETATM 0 HG MLE B 202 -11.755 13.983 -3.981 1.00 1.58 H new HETATM 0 HB3 MLE B 202 -10.769 11.808 -4.673 1.00 1.32 H new HETATM 0 HB2 MLE B 202 -9.985 11.680 -3.111 1.00 1.32 H new HETATM 0 HA MLE B 202 -8.544 13.453 -3.536 1.00 1.42 H new HETATM 2531 N MLE B 203 -6.973 12.762 -5.439 1.00 1.38 N HETATM 2532 CN MLE B 203 -6.439 14.391 -4.860 1.00 1.54 C HETATM 2533 CA MLE B 203 -5.950 11.986 -6.117 1.00 1.31 C HETATM 2534 CB MLE B 203 -5.294 12.814 -7.224 1.00 1.36 C HETATM 2535 CG MLE B 203 -6.246 13.617 -8.114 1.00 1.43 C HETATM 2536 CD1 MLE B 203 -5.489 14.286 -9.263 1.00 1.49 C HETATM 2537 CD2 MLE B 203 -7.395 12.740 -8.619 1.00 1.39 C HETATM 2538 C MLE B 203 -4.958 11.444 -5.086 1.00 1.32 C HETATM 2539 O MLE B 203 -4.878 11.954 -3.970 1.00 1.47 O HETATM 0 HD23 MLE B 203 -6.991 11.910 -9.199 1.00 1.39 H new HETATM 0 HD22 MLE B 203 -7.956 12.350 -7.769 1.00 1.39 H new HETATM 0 HD21 MLE B 203 -8.057 13.335 -9.249 1.00 1.39 H new HETATM 0 HD13 MLE B 203 -4.736 14.962 -8.858 1.00 1.49 H new HETATM 0 HD12 MLE B 203 -5.002 13.523 -9.871 1.00 1.49 H new HETATM 0 HD11 MLE B 203 -6.189 14.850 -9.880 1.00 1.49 H new HETATM 0 HN3 MLE B 203 -5.617 14.275 -4.154 1.00 1.54 H new HETATM 0 HN2 MLE B 203 -6.106 14.988 -5.709 1.00 1.54 H new HETATM 0 HN1 MLE B 203 -7.272 14.893 -4.368 1.00 1.54 H new HETATM 0 HG MLE B 203 -6.687 14.412 -7.513 1.00 1.43 H new HETATM 0 HB3 MLE B 203 -4.588 13.506 -6.764 1.00 1.36 H new HETATM 0 HB2 MLE B 203 -4.715 12.143 -7.858 1.00 1.36 H new HETATM 0 HA MLE B 203 -6.395 11.125 -6.615 1.00 1.31 H new HETATM 2550 N MVA B 204 -4.228 10.417 -5.496 1.00 1.20 N HETATM 2551 CN MVA B 204 -4.311 9.720 -7.164 1.00 1.07 C HETATM 2552 CA MVA B 204 -3.284 9.766 -4.604 1.00 1.25 C HETATM 2553 CB MVA B 204 -3.720 8.322 -4.345 1.00 1.14 C HETATM 2554 CG1 MVA B 204 -2.954 7.722 -3.165 1.00 1.34 C HETATM 2555 CG2 MVA B 204 -5.231 8.237 -4.117 1.00 1.07 C HETATM 2556 C MVA B 204 -1.877 9.869 -5.194 1.00 1.32 C HETATM 2557 O MVA B 204 -1.405 8.940 -5.848 1.00 1.21 O HETATM 0 HG23 MVA B 204 -5.503 8.844 -3.254 1.00 1.07 H new HETATM 0 HG22 MVA B 204 -5.753 8.606 -4.999 1.00 1.07 H new HETATM 0 HG21 MVA B 204 -5.514 7.200 -3.935 1.00 1.07 H new HETATM 0 HG13 MVA B 204 -1.886 7.731 -3.382 1.00 1.34 H new HETATM 0 HG12 MVA B 204 -3.147 8.311 -2.269 1.00 1.34 H new HETATM 0 HG11 MVA B 204 -3.283 6.696 -3.002 1.00 1.34 H new HETATM 0 HN3 MVA B 204 -3.332 9.794 -7.638 1.00 1.07 H new HETATM 0 HN2 MVA B 204 -4.608 8.673 -7.106 1.00 1.07 H new HETATM 0 HN1 MVA B 204 -5.043 10.273 -7.753 1.00 1.07 H new HETATM 0 HB MVA B 204 -3.482 7.736 -5.233 1.00 1.14 H new HETATM 0 HA MVA B 204 -3.267 10.265 -3.635 1.00 1.25 H new HETATM 2566 N BMT B 205 -1.192 11.002 -4.937 1.00 1.53 N HETATM 2567 CN BMT B 205 -1.694 12.159 -3.640 1.00 1.77 C HETATM 2568 CA BMT B 205 0.143 11.216 -5.468 1.00 1.70 C HETATM 2569 C BMT B 205 1.164 11.289 -4.330 1.00 1.86 C HETATM 2570 O BMT B 205 0.836 11.009 -3.178 1.00 1.90 O HETATM 2571 CB BMT B 205 0.111 12.475 -6.337 1.00 1.90 C HETATM 2572 OG1 BMT B 205 -0.261 13.511 -5.433 1.00 2.18 O HETATM 2573 CG2 BMT B 205 -1.025 12.450 -7.361 1.00 1.69 C HETATM 2574 CD1 BMT B 205 -0.835 11.288 -8.340 1.00 1.39 C HETATM 2575 CD2 BMT B 205 -1.304 13.733 -8.016 1.00 2.24 C HETATM 2576 CE BMT B 205 -0.178 14.433 -8.613 1.00 2.20 C HETATM 2577 CZ BMT B 205 0.137 14.636 -9.829 1.00 2.50 C HETATM 2578 CH BMT B 205 1.345 15.307 -10.431 1.00 2.51 C HETATM 0 HD23 BMT B 205 -2.046 13.560 -8.796 1.00 2.24 H new HETATM 0 HD22 BMT B 205 -1.762 14.395 -7.281 1.00 2.24 H new HETATM 0 HD13 BMT B 205 0.113 11.406 -8.865 1.00 1.39 H new HETATM 0 HD12 BMT B 205 -0.831 10.346 -7.791 1.00 1.39 H new HETATM 0 HD11 BMT B 205 -1.651 11.284 -9.062 1.00 1.39 H new HETATM 0 HZ BMT B 205 -0.586 14.263 -10.555 1.00 2.50 H new HETATM 0 HN3 BMT B 205 -1.007 12.081 -2.797 1.00 1.77 H new HETATM 0 HN2 BMT B 205 -1.674 13.176 -4.032 1.00 1.77 H new HETATM 0 HN1 BMT B 205 -2.704 11.918 -3.308 1.00 1.77 H new HETATM 0 HH3 BMT B 205 1.398 16.339 -10.085 1.00 2.51 H new HETATM 0 HH2 BMT B 205 2.246 14.775 -10.126 1.00 2.51 H new HETATM 0 HH1 BMT B 205 1.265 15.293 -11.518 1.00 2.51 H new HETATM 0 HG2 BMT B 205 -1.941 12.271 -6.798 1.00 1.69 H new HETATM 0 HG1 BMT B 205 0.368 13.532 -4.682 1.00 2.18 H new HETATM 0 HE BMT B 205 0.519 14.859 -7.892 1.00 2.20 H new HETATM 0 HB BMT B 205 1.064 12.583 -6.854 1.00 1.90 H new HETATM 0 HA BMT B 205 0.458 10.381 -6.093 1.00 1.70 H new HETATM 2593 N ABA B 206 2.381 11.669 -4.693 1.00 2.00 N HETATM 2594 CA ABA B 206 3.493 11.608 -3.760 1.00 2.14 C HETATM 2595 C ABA B 206 4.468 12.759 -4.016 1.00 2.22 C HETATM 2596 O ABA B 206 5.567 12.545 -4.523 1.00 2.27 O HETATM 2597 CB ABA B 206 4.138 10.226 -3.883 1.00 2.19 C HETATM 2598 CG ABA B 206 3.106 9.098 -3.919 1.00 2.29 C HETATM 0 HG3 ABA B 206 2.445 9.237 -4.775 1.00 2.29 H new HETATM 0 HG2 ABA B 206 2.519 9.113 -3.001 1.00 2.29 H new HETATM 0 HG1 ABA B 206 3.618 8.140 -4.007 1.00 2.29 H new HETATM 0 HB3 ABA B 206 4.814 10.068 -3.043 1.00 2.19 H new HETATM 0 HB2 ABA B 206 4.742 10.190 -4.790 1.00 2.19 H new HETATM 0 HA ABA B 206 3.154 11.734 -2.732 1.00 2.14 H new HETATM 0 H ABA B 206 2.340 12.413 -5.389 1.00 2.00 H new HETATM 2606 N SAR B 207 4.028 13.955 -3.652 1.00 2.25 N HETATM 2607 CA SAR B 207 4.844 15.179 -3.896 1.00 2.37 C HETATM 2608 C SAR B 207 4.154 16.542 -4.070 1.00 2.40 C HETATM 2609 O SAR B 207 4.490 17.603 -3.566 1.00 2.68 O HETATM 2610 CN SAR B 207 2.375 14.013 -2.840 1.00 2.21 C HETATM 0 HN3 SAR B 207 2.475 14.435 -1.840 1.00 2.21 H new HETATM 0 HN2 SAR B 207 1.701 14.634 -3.430 1.00 2.21 H new HETATM 0 HN1 SAR B 207 1.969 13.004 -2.769 1.00 2.21 H new HETATM 0 HA3 SAR B 207 5.543 15.273 -3.065 1.00 2.37 H new HETATM 0 HA2 SAR B 207 5.437 14.999 -4.793 1.00 2.37 H new HETATM 2613 N MLE B 208 3.085 16.532 -4.853 1.00 2.16 N HETATM 2614 CN MLE B 208 2.378 15.324 -6.000 1.00 1.73 C HETATM 2615 CA MLE B 208 2.345 17.778 -4.741 1.00 2.34 C HETATM 2616 CB MLE B 208 2.924 18.832 -5.686 1.00 2.51 C HETATM 2617 CG MLE B 208 1.984 19.977 -6.072 1.00 3.39 C HETATM 2618 CD1 MLE B 208 1.546 20.765 -4.835 1.00 5.08 C HETATM 2619 CD2 MLE B 208 2.623 20.878 -7.130 1.00 3.33 C HETATM 2620 C MLE B 208 0.856 17.504 -4.963 1.00 2.16 C HETATM 2621 O MLE B 208 0.403 17.408 -6.103 1.00 2.07 O HETATM 0 HD23 MLE B 208 3.547 21.302 -6.737 1.00 3.33 H new HETATM 0 HD22 MLE B 208 2.844 20.292 -8.022 1.00 3.33 H new HETATM 0 HD21 MLE B 208 1.934 21.683 -7.386 1.00 3.33 H new HETATM 0 HD13 MLE B 208 1.024 20.101 -4.146 1.00 5.08 H new HETATM 0 HD12 MLE B 208 2.423 21.183 -4.341 1.00 5.08 H new HETATM 0 HD11 MLE B 208 0.879 21.573 -5.136 1.00 5.08 H new HETATM 0 HN3 MLE B 208 1.371 15.061 -5.676 1.00 1.73 H new HETATM 0 HN2 MLE B 208 2.337 15.754 -7.001 1.00 1.73 H new HETATM 0 HN1 MLE B 208 3.000 14.429 -6.015 1.00 1.73 H new HETATM 0 HG MLE B 208 1.086 19.548 -6.516 1.00 3.39 H new HETATM 0 HB3 MLE B 208 3.813 19.259 -5.221 1.00 2.51 H new HETATM 0 HB2 MLE B 208 3.250 18.333 -6.599 1.00 2.51 H new HETATM 0 HA MLE B 208 2.447 18.193 -3.738 1.00 2.34 H new ATOM 2632 N VAL B 209 0.138 17.385 -3.857 1.00 2.28 N ATOM 2633 CA VAL B 209 -1.261 16.996 -3.911 1.00 2.10 C ATOM 2634 C VAL B 209 -2.090 18.162 -4.454 1.00 2.27 C ATOM 2635 O VAL B 209 -1.876 19.311 -4.071 1.00 2.59 O ATOM 2636 CB VAL B 209 -1.726 16.523 -2.532 1.00 2.18 C ATOM 2637 CG1 VAL B 209 -3.178 16.041 -2.579 1.00 1.99 C ATOM 2638 CG2 VAL B 209 -0.803 15.431 -1.987 1.00 2.20 C ATOM 0 H VAL B 209 0.499 17.551 -2.917 1.00 2.28 H new ATOM 0 HA VAL B 209 -1.398 16.156 -4.592 1.00 2.10 H new ATOM 0 HB VAL B 209 -1.677 17.373 -1.852 1.00 2.18 H new ATOM 0 HG11 VAL B 209 -3.484 15.710 -1.586 1.00 1.99 H new ATOM 0 HG12 VAL B 209 -3.822 16.858 -2.904 1.00 1.99 H new ATOM 0 HG13 VAL B 209 -3.263 15.211 -3.280 1.00 1.99 H new ATOM 0 HG21 VAL B 209 -1.156 15.113 -1.006 1.00 2.20 H new ATOM 0 HG22 VAL B 209 -0.805 14.580 -2.667 1.00 2.20 H new ATOM 0 HG23 VAL B 209 0.211 15.822 -1.899 1.00 2.20 H new HETATM 2648 N MLE B 210 -3.019 17.825 -5.336 1.00 2.12 N HETATM 2649 CN MLE B 210 -3.385 16.120 -5.820 1.00 1.82 C HETATM 2650 CA MLE B 210 -3.830 18.837 -5.992 1.00 2.35 C HETATM 2651 CB MLE B 210 -3.733 18.698 -7.513 1.00 2.40 C HETATM 2652 CG MLE B 210 -2.349 18.356 -8.069 1.00 2.37 C HETATM 2653 CD1 MLE B 210 -2.439 17.922 -9.532 1.00 2.49 C HETATM 2654 CD2 MLE B 210 -1.378 19.522 -7.875 1.00 2.60 C HETATM 2655 C MLE B 210 -5.261 18.764 -5.458 1.00 2.32 C HETATM 2656 O MLE B 210 -5.542 18.010 -4.526 1.00 2.17 O HETATM 0 HD23 MLE B 210 -1.757 20.401 -8.396 1.00 2.60 H new HETATM 0 HD22 MLE B 210 -1.283 19.743 -6.812 1.00 2.60 H new HETATM 0 HD21 MLE B 210 -0.402 19.253 -8.279 1.00 2.60 H new HETATM 0 HD13 MLE B 210 -3.075 17.041 -9.612 1.00 2.49 H new HETATM 0 HD12 MLE B 210 -2.864 18.731 -10.126 1.00 2.49 H new HETATM 0 HD11 MLE B 210 -1.442 17.685 -9.903 1.00 2.49 H new HETATM 0 HN3 MLE B 210 -4.424 15.889 -5.583 1.00 1.82 H new HETATM 0 HN2 MLE B 210 -3.223 16.003 -6.892 1.00 1.82 H new HETATM 0 HN1 MLE B 210 -2.729 15.439 -5.278 1.00 1.82 H new HETATM 0 HG MLE B 210 -1.953 17.510 -7.507 1.00 2.37 H new HETATM 0 HB3 MLE B 210 -4.432 17.925 -7.833 1.00 2.40 H new HETATM 0 HB2 MLE B 210 -4.063 19.633 -7.965 1.00 2.40 H new HETATM 0 HA MLE B 210 -3.455 19.834 -5.761 1.00 2.35 H new ATOM 2667 N ALA B 211 -6.129 19.555 -6.070 1.00 2.54 N ATOM 2668 CA ALA B 211 -7.529 19.577 -5.677 1.00 2.56 C ATOM 2669 C ALA B 211 -8.184 18.251 -6.068 1.00 2.32 C ATOM 2670 O ALA B 211 -7.748 17.593 -7.011 1.00 2.26 O ATOM 2671 CB ALA B 211 -8.220 20.781 -6.321 1.00 2.85 C ATOM 0 H ALA B 211 -5.891 20.186 -6.835 1.00 2.54 H new ATOM 0 HA ALA B 211 -7.624 19.686 -4.597 1.00 2.56 H new ATOM 0 HB1 ALA B 211 -9.269 20.798 -6.027 1.00 2.85 H new ATOM 0 HB2 ALA B 211 -7.735 21.699 -5.989 1.00 2.85 H new ATOM 0 HB3 ALA B 211 -8.148 20.704 -7.406 1.00 2.85 H new TER 2677 ALA B 211