USER MOD reduce.3.24.130724 H: found=0, std=0, add=1351, rem=0, adj=45 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 201 DAL H : 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 152 THR OG1 : rot 60:sc= 0.33 USER MOD Set 1.2: A 153 SER OG : rot 56:sc= -0.309 USER MOD Set 2.1: A 102 ASN : amide:sc= -0.194 K(o=-4.1,f=-17!) USER MOD Set 2.2: A 125 LYS NZ :NH3+ 176:sc= 0.153 (180deg=0) USER MOD Set 2.3: A 126 HIS : no HE2:sc= -4.07! C(o=-4.1!,f=-7.4!) USER MOD Set 3.1: A 92 HIS : no HD1:sc= -4.69! C(o=-4.1!,f=-3.4!) USER MOD Set 3.2: A 99 SER OG : rot 69:sc=-5.69e-05! USER MOD Set 3.3: A 115 CYS SG : rot -139:sc= -0.0311 USER MOD Set 3.4: A 119 THR OG1 : rot 42:sc= 0.652 USER MOD Set 4.1: A 100 MET CE :methyl -155:sc= -0.0212 (180deg=-0.679) USER MOD Set 4.2: A 108 ASN : amide:sc= 0.817 K(o=0.8,f=-0.0014) USER MOD Set 5.1: A 48 TYR OH : rot 114:sc= 0.225 USER MOD Set 5.2: A 110 SER OG : rot 180:sc= 0.496 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0 (180deg=-0.19) USER MOD Single : A 3 ASN : amide:sc= 0.911 K(o=0.91,f=-5.1!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.556 USER MOD Single : A 21 SER OG : rot 180:sc= 0.152 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -179:sc= 1.18 (180deg=1.17) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.14 K(o=0.14,f=-0.36) USER MOD Single : A 40 SER OG : rot 49:sc= 1.26 USER MOD Single : A 41 THR OG1 : rot -26:sc= 0.224 USER MOD Single : A 44 LYS NZ :NH3+ -114:sc= 1.29 (180deg=-0.849) USER MOD Single : A 49 LYS NZ :NH3+ 153:sc= 1.14 (180deg=0.083) USER MOD Single : A 51 SER OG : rot -117:sc= 0.481 USER MOD Single : A 52 CYS SG : rot 94:sc= 1.24 USER MOD Single : A 54 HIS : no HE2:sc= -0.439 K(o=-0.44,f=-4.1!) USER MOD Single : A 61 MET CE :methyl 176:sc= -0.0836 (180deg=-0.0982) USER MOD Single : A 62 CYS SG : rot -4:sc= -0.568 USER MOD Single : A 63 GLN : amide:sc= -3.07 K(o=-3.1,f=-16!) USER MOD Single : A 68 THR OG1 : rot -142:sc= 0.429 USER MOD Single : A 70 HIS : no HD1:sc=-0.00453 X(o=-0.0045,f=-0.34) USER MOD Single : A 71 ASN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.466 USER MOD Single : A 76 LYS NZ :NH3+ -169:sc= 2.33 (180deg=2.01) USER MOD Single : A 77 SER OG : rot 180:sc= 0.422 USER MOD Single : A 79 TYR OH : rot -178:sc= 0.422 USER MOD Single : A 82 LYS NZ :NH3+ 150:sc= 1.28 (180deg=0.419) USER MOD Single : A 87 ASN : amide:sc= -1.46! C(o=-1.5!,f=-2!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0942 USER MOD Single : A 106 ASN : amide:sc= -0.0755 X(o=-0.076,f=-0.19) USER MOD Single : A 107 THR OG1 : rot 79:sc= 0.336 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 116 THR OG1 : rot 140:sc=-0.00165 USER MOD Single : A 118 LYS NZ :NH3+ -135:sc= 1.03 (180deg=-0.0372) USER MOD Single : A 131 LYS NZ :NH3+ -155:sc= 1.08 (180deg=0.698) USER MOD Single : A 133 LYS NZ :NH3+ -154:sc= 1.01 (180deg=-0.516!) USER MOD Single : A 136 MET CE :methyl 172:sc= -0.0676 (180deg=-0.274) USER MOD Single : A 137 ASN : amide:sc= -0.241 K(o=-0.24,f=-5.2!) USER MOD Single : A 142 MET CE :methyl 169:sc=-0.00327 (180deg=-0.14) USER MOD Single : A 147 SER OG : rot 180:sc= -0.356 USER MOD Single : A 149 ASN : amide:sc= -0.103 K(o=-0.1,f=-10!) USER MOD Single : A 151 LYS NZ :NH3+ -156:sc= 1.16 (180deg=0.18) USER MOD Single : A 154 LYS NZ :NH3+ -170:sc=-0.000272 (180deg=-0.114) USER MOD Single : A 155 LYS NZ :NH3+ 164:sc= 0.257 (180deg=-0.237) USER MOD Single : A 157 THR OG1 : rot 44:sc= 0.969 USER MOD Single : A 161 CYS SG : rot -166:sc= 0.258 USER MOD Single : A 163 GLN : amide:sc= -0.0305 K(o=-0.031,f=-9!) USER MOD Single : B 205 BMT OG1 : rot 170:sc= -4.69! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.619 -21.675 -8.326 1.00 4.71 N ATOM 2 CA MET A 1 0.423 -22.497 -8.259 1.00 4.71 C ATOM 3 C MET A 1 -0.804 -21.653 -7.905 1.00 3.86 C ATOM 4 O MET A 1 -1.884 -21.861 -8.455 1.00 4.68 O ATOM 5 CB MET A 1 0.612 -23.590 -7.206 1.00 6.10 C ATOM 6 CG MET A 1 -0.547 -24.588 -7.235 1.00 7.18 C ATOM 7 SD MET A 1 -0.248 -25.907 -6.070 1.00 9.03 S ATOM 8 CE MET A 1 0.776 -26.975 -7.069 1.00 9.39 C ATOM 0 H1 MET A 1 2.386 -22.214 -8.776 1.00 4.71 H new ATOM 0 H2 MET A 1 1.422 -20.820 -8.885 1.00 4.71 H new ATOM 0 H3 MET A 1 1.906 -21.401 -7.365 1.00 4.71 H new ATOM 0 HA MET A 1 0.260 -22.948 -9.238 1.00 4.71 H new ATOM 0 HB2 MET A 1 1.551 -24.113 -7.385 1.00 6.10 H new ATOM 0 HB3 MET A 1 0.682 -23.138 -6.217 1.00 6.10 H new ATOM 0 HG2 MET A 1 -1.480 -24.081 -6.991 1.00 7.18 H new ATOM 0 HG3 MET A 1 -0.660 -24.997 -8.239 1.00 7.18 H new ATOM 0 HE1 MET A 1 1.056 -27.856 -6.491 1.00 9.39 H new ATOM 0 HE2 MET A 1 0.223 -27.284 -7.956 1.00 9.39 H new ATOM 0 HE3 MET A 1 1.675 -26.438 -7.371 1.00 9.39 H new ATOM 18 N VAL A 2 -0.595 -20.719 -6.989 1.00 2.97 N ATOM 19 CA VAL A 2 -1.673 -19.851 -6.547 1.00 2.77 C ATOM 20 C VAL A 2 -1.082 -18.550 -5.999 1.00 2.23 C ATOM 21 O VAL A 2 -0.006 -18.556 -5.402 1.00 3.21 O ATOM 22 CB VAL A 2 -2.552 -20.583 -5.530 1.00 3.89 C ATOM 23 CG1 VAL A 2 -1.756 -20.937 -4.273 1.00 4.78 C ATOM 24 CG2 VAL A 2 -3.791 -19.756 -5.182 1.00 4.88 C ATOM 0 H VAL A 2 0.305 -20.544 -6.541 1.00 2.97 H new ATOM 0 HA VAL A 2 -2.319 -19.588 -7.385 1.00 2.77 H new ATOM 0 HB VAL A 2 -2.889 -21.514 -5.985 1.00 3.89 H new ATOM 0 HG11 VAL A 2 -2.404 -21.456 -3.567 1.00 4.78 H new ATOM 0 HG12 VAL A 2 -0.920 -21.583 -4.542 1.00 4.78 H new ATOM 0 HG13 VAL A 2 -1.376 -20.024 -3.814 1.00 4.78 H new ATOM 0 HG21 VAL A 2 -4.399 -20.298 -4.458 1.00 4.88 H new ATOM 0 HG22 VAL A 2 -3.483 -18.801 -4.755 1.00 4.88 H new ATOM 0 HG23 VAL A 2 -4.375 -19.578 -6.085 1.00 4.88 H new ATOM 34 N ASN A 3 -1.811 -17.467 -6.221 1.00 1.62 N ATOM 35 CA ASN A 3 -1.374 -16.162 -5.752 1.00 1.12 C ATOM 36 C ASN A 3 -1.036 -16.248 -4.263 1.00 1.01 C ATOM 37 O ASN A 3 -1.925 -16.406 -3.428 1.00 1.29 O ATOM 38 CB ASN A 3 -2.478 -15.117 -5.927 1.00 1.29 C ATOM 39 CG ASN A 3 -2.571 -14.656 -7.382 1.00 1.61 C ATOM 40 OD1 ASN A 3 -1.583 -14.537 -8.088 1.00 2.40 O ATOM 41 ND2 ASN A 3 -3.812 -14.402 -7.791 1.00 2.25 N ATOM 0 H ASN A 3 -2.701 -17.465 -6.719 1.00 1.62 H new ATOM 0 HA ASN A 3 -0.502 -15.867 -6.336 1.00 1.12 H new ATOM 0 HB2 ASN A 3 -3.434 -15.537 -5.613 1.00 1.29 H new ATOM 0 HB3 ASN A 3 -2.279 -14.261 -5.283 1.00 1.29 H new ATOM 0 HD21 ASN A 3 -3.980 -14.087 -8.747 1.00 2.25 H new ATOM 0 HD22 ASN A 3 -4.595 -14.522 -7.149 1.00 2.25 H new ATOM 48 N PRO A 4 0.287 -16.136 -3.967 1.00 0.87 N ATOM 49 CA PRO A 4 0.758 -16.230 -2.595 1.00 0.88 C ATOM 50 C PRO A 4 0.440 -14.952 -1.818 1.00 0.67 C ATOM 51 O PRO A 4 0.714 -13.849 -2.289 1.00 1.22 O ATOM 52 CB PRO A 4 2.249 -16.502 -2.709 1.00 1.31 C ATOM 53 CG PRO A 4 2.642 -16.089 -4.119 1.00 1.44 C ATOM 54 CD PRO A 4 1.365 -15.918 -4.927 1.00 1.08 C ATOM 0 HA PRO A 4 0.264 -17.023 -2.034 1.00 0.88 H new ATOM 0 HB2 PRO A 4 2.808 -15.933 -1.966 1.00 1.31 H new ATOM 0 HB3 PRO A 4 2.468 -17.556 -2.535 1.00 1.31 H new ATOM 0 HG2 PRO A 4 3.209 -15.159 -4.100 1.00 1.44 H new ATOM 0 HG3 PRO A 4 3.283 -16.844 -4.573 1.00 1.44 H new ATOM 0 HD2 PRO A 4 1.306 -14.923 -5.369 1.00 1.08 H new ATOM 0 HD3 PRO A 4 1.316 -16.635 -5.747 1.00 1.08 H new ATOM 62 N THR A 5 -0.133 -15.142 -0.638 1.00 0.75 N ATOM 63 CA THR A 5 -0.647 -14.023 0.132 1.00 0.61 C ATOM 64 C THR A 5 0.457 -13.424 1.006 1.00 0.63 C ATOM 65 O THR A 5 1.490 -14.055 1.226 1.00 0.84 O ATOM 66 CB THR A 5 -1.854 -14.516 0.934 1.00 0.80 C ATOM 67 OG1 THR A 5 -2.738 -15.037 -0.055 1.00 1.01 O ATOM 68 CG2 THR A 5 -2.643 -13.368 1.570 1.00 1.16 C ATOM 0 H THR A 5 -0.252 -16.054 -0.197 1.00 0.75 H new ATOM 0 HA THR A 5 -0.978 -13.214 -0.520 1.00 0.61 H new ATOM 0 HB THR A 5 -1.517 -15.201 1.712 1.00 0.80 H new ATOM 0 HG1 THR A 5 -3.547 -15.380 0.378 1.00 1.01 H new ATOM 0 HG21 THR A 5 -3.488 -13.772 2.127 1.00 1.16 H new ATOM 0 HG22 THR A 5 -1.995 -12.812 2.247 1.00 1.16 H new ATOM 0 HG23 THR A 5 -3.009 -12.701 0.789 1.00 1.16 H new ATOM 76 N VAL A 6 0.203 -12.214 1.479 1.00 0.59 N ATOM 77 CA VAL A 6 1.025 -11.630 2.525 1.00 0.59 C ATOM 78 C VAL A 6 0.122 -11.000 3.587 1.00 0.61 C ATOM 79 O VAL A 6 -1.053 -10.741 3.332 1.00 0.71 O ATOM 80 CB VAL A 6 2.018 -10.637 1.919 1.00 0.66 C ATOM 81 CG1 VAL A 6 2.829 -11.288 0.796 1.00 1.16 C ATOM 82 CG2 VAL A 6 1.300 -9.381 1.419 1.00 1.22 C ATOM 0 H VAL A 6 -0.562 -11.621 1.157 1.00 0.59 H new ATOM 0 HA VAL A 6 1.618 -12.401 3.018 1.00 0.59 H new ATOM 0 HB VAL A 6 2.713 -10.337 2.703 1.00 0.66 H new ATOM 0 HG11 VAL A 6 3.527 -10.560 0.383 1.00 1.16 H new ATOM 0 HG12 VAL A 6 3.384 -12.138 1.193 1.00 1.16 H new ATOM 0 HG13 VAL A 6 2.154 -11.630 0.011 1.00 1.16 H new ATOM 0 HG21 VAL A 6 2.028 -8.691 0.993 1.00 1.22 H new ATOM 0 HG22 VAL A 6 0.572 -9.657 0.656 1.00 1.22 H new ATOM 0 HG23 VAL A 6 0.788 -8.899 2.252 1.00 1.22 H new ATOM 92 N PHE A 7 0.704 -10.772 4.755 1.00 0.63 N ATOM 93 CA PHE A 7 -0.050 -10.235 5.875 1.00 0.68 C ATOM 94 C PHE A 7 0.637 -8.996 6.454 1.00 0.62 C ATOM 95 O PHE A 7 1.863 -8.904 6.453 1.00 0.72 O ATOM 96 CB PHE A 7 -0.095 -11.326 6.947 1.00 0.96 C ATOM 97 CG PHE A 7 1.148 -11.375 7.838 1.00 1.00 C ATOM 98 CD1 PHE A 7 1.231 -10.573 8.934 1.00 2.11 C ATOM 99 CD2 PHE A 7 2.169 -12.220 7.535 1.00 1.83 C ATOM 100 CE1 PHE A 7 2.384 -10.619 9.761 1.00 2.57 C ATOM 101 CE2 PHE A 7 3.322 -12.266 8.362 1.00 2.14 C ATOM 102 CZ PHE A 7 3.405 -11.464 9.458 1.00 2.08 C ATOM 0 H PHE A 7 1.689 -10.949 4.950 1.00 0.63 H new ATOM 0 HA PHE A 7 -1.048 -9.945 5.547 1.00 0.68 H new ATOM 0 HB2 PHE A 7 -0.973 -11.169 7.574 1.00 0.96 H new ATOM 0 HB3 PHE A 7 -0.219 -12.294 6.461 1.00 0.96 H new ATOM 0 HD1 PHE A 7 0.420 -9.902 9.175 1.00 2.11 H new ATOM 0 HD2 PHE A 7 2.103 -12.856 6.665 1.00 1.83 H new ATOM 0 HE1 PHE A 7 2.450 -9.983 10.631 1.00 2.57 H new ATOM 0 HE2 PHE A 7 4.133 -12.937 8.121 1.00 2.14 H new ATOM 0 HZ PHE A 7 4.282 -11.499 10.087 1.00 2.08 H new ATOM 112 N PHE A 8 -0.185 -8.074 6.933 1.00 0.68 N ATOM 113 CA PHE A 8 0.328 -6.889 7.601 1.00 0.77 C ATOM 114 C PHE A 8 -0.495 -6.566 8.849 1.00 0.64 C ATOM 115 O PHE A 8 -1.650 -6.157 8.746 1.00 0.89 O ATOM 116 CB PHE A 8 0.208 -5.730 6.611 1.00 1.11 C ATOM 117 CG PHE A 8 1.534 -5.328 5.961 1.00 1.16 C ATOM 118 CD1 PHE A 8 2.116 -6.142 5.040 1.00 2.17 C ATOM 119 CD2 PHE A 8 2.131 -4.155 6.304 1.00 2.49 C ATOM 120 CE1 PHE A 8 3.346 -5.770 4.438 1.00 3.03 C ATOM 121 CE2 PHE A 8 3.361 -3.781 5.701 1.00 3.29 C ATOM 122 CZ PHE A 8 3.943 -4.597 4.781 1.00 3.20 C ATOM 0 H PHE A 8 -1.202 -8.123 6.872 1.00 0.68 H new ATOM 0 HA PHE A 8 1.360 -7.053 7.911 1.00 0.77 H new ATOM 0 HB2 PHE A 8 -0.500 -6.005 5.829 1.00 1.11 H new ATOM 0 HB3 PHE A 8 -0.208 -4.865 7.128 1.00 1.11 H new ATOM 0 HD1 PHE A 8 1.641 -7.073 4.766 1.00 2.17 H new ATOM 0 HD2 PHE A 8 1.669 -3.508 7.035 1.00 2.49 H new ATOM 0 HE1 PHE A 8 3.808 -6.418 3.708 1.00 3.03 H new ATOM 0 HE2 PHE A 8 3.834 -2.849 5.973 1.00 3.29 H new ATOM 0 HZ PHE A 8 4.879 -4.313 4.323 1.00 3.20 H new ATOM 132 N ASP A 9 0.132 -6.759 10.000 1.00 0.53 N ATOM 133 CA ASP A 9 -0.561 -6.602 11.267 1.00 0.57 C ATOM 134 C ASP A 9 -0.519 -5.132 11.687 1.00 0.58 C ATOM 135 O ASP A 9 0.518 -4.479 11.573 1.00 0.62 O ATOM 136 CB ASP A 9 0.107 -7.429 12.367 1.00 0.73 C ATOM 137 CG ASP A 9 -0.799 -7.789 13.546 1.00 1.30 C ATOM 138 OD1 ASP A 9 -1.442 -8.858 13.462 1.00 2.80 O ATOM 139 OD2 ASP A 9 -0.830 -6.987 14.504 1.00 1.79 O ATOM 0 H ASP A 9 1.114 -7.023 10.081 1.00 0.53 H new ATOM 0 HA ASP A 9 -1.588 -6.943 11.134 1.00 0.57 H new ATOM 0 HB2 ASP A 9 0.489 -8.350 11.927 1.00 0.73 H new ATOM 0 HB3 ASP A 9 0.967 -6.876 12.745 1.00 0.73 H new ATOM 144 N ILE A 10 -1.657 -4.652 12.166 1.00 0.67 N ATOM 145 CA ILE A 10 -1.793 -3.247 12.508 1.00 0.76 C ATOM 146 C ILE A 10 -1.776 -3.093 14.030 1.00 0.85 C ATOM 147 O ILE A 10 -2.252 -3.967 14.752 1.00 1.09 O ATOM 148 CB ILE A 10 -3.036 -2.653 11.844 1.00 0.92 C ATOM 149 CG1 ILE A 10 -3.170 -3.135 10.398 1.00 1.31 C ATOM 150 CG2 ILE A 10 -3.031 -1.125 11.939 1.00 0.88 C ATOM 151 CD1 ILE A 10 -2.027 -2.600 9.532 1.00 1.00 C ATOM 0 H ILE A 10 -2.494 -5.212 12.325 1.00 0.67 H new ATOM 0 HA ILE A 10 -0.949 -2.677 12.120 1.00 0.76 H new ATOM 0 HB ILE A 10 -3.913 -3.008 12.385 1.00 0.92 H new ATOM 0 HG12 ILE A 10 -3.170 -4.225 10.373 1.00 1.31 H new ATOM 0 HG13 ILE A 10 -4.125 -2.806 9.989 1.00 1.31 H new ATOM 0 HG21 ILE A 10 -3.926 -0.728 11.459 1.00 0.88 H new ATOM 0 HG22 ILE A 10 -3.018 -0.826 12.987 1.00 0.88 H new ATOM 0 HG23 ILE A 10 -2.146 -0.732 11.438 1.00 0.88 H new ATOM 0 HD11 ILE A 10 -2.147 -2.958 8.509 1.00 1.00 H new ATOM 0 HD12 ILE A 10 -2.044 -1.510 9.539 1.00 1.00 H new ATOM 0 HD13 ILE A 10 -1.075 -2.950 9.930 1.00 1.00 H new ATOM 163 N ALA A 11 -1.223 -1.973 14.473 1.00 0.81 N ATOM 164 CA ALA A 11 -1.188 -1.665 15.893 1.00 0.88 C ATOM 165 C ALA A 11 -1.455 -0.172 16.092 1.00 0.90 C ATOM 166 O ALA A 11 -0.565 0.653 15.895 1.00 1.07 O ATOM 167 CB ALA A 11 0.156 -2.101 16.478 1.00 0.94 C ATOM 0 H ALA A 11 -0.795 -1.267 13.873 1.00 0.81 H new ATOM 0 HA ALA A 11 -1.966 -2.213 16.424 1.00 0.88 H new ATOM 0 HB1 ALA A 11 0.182 -1.870 17.543 1.00 0.94 H new ATOM 0 HB2 ALA A 11 0.283 -3.174 16.337 1.00 0.94 H new ATOM 0 HB3 ALA A 11 0.962 -1.570 15.972 1.00 0.94 H new ATOM 173 N VAL A 12 -2.685 0.130 16.482 1.00 0.87 N ATOM 174 CA VAL A 12 -3.069 1.506 16.749 1.00 0.92 C ATOM 175 C VAL A 12 -2.557 1.916 18.130 1.00 0.95 C ATOM 176 O VAL A 12 -3.210 1.658 19.141 1.00 1.00 O ATOM 177 CB VAL A 12 -4.584 1.664 16.601 1.00 1.01 C ATOM 178 CG1 VAL A 12 -5.038 3.049 17.065 1.00 1.21 C ATOM 179 CG2 VAL A 12 -5.025 1.396 15.161 1.00 0.92 C ATOM 0 H VAL A 12 -3.428 -0.555 16.619 1.00 0.87 H new ATOM 0 HA VAL A 12 -2.613 2.178 16.022 1.00 0.92 H new ATOM 0 HB VAL A 12 -5.063 0.923 17.241 1.00 1.01 H new ATOM 0 HG11 VAL A 12 -6.118 3.135 16.949 1.00 1.21 H new ATOM 0 HG12 VAL A 12 -4.773 3.186 18.113 1.00 1.21 H new ATOM 0 HG13 VAL A 12 -4.546 3.814 16.463 1.00 1.21 H new ATOM 0 HG21 VAL A 12 -6.106 1.515 15.083 1.00 0.92 H new ATOM 0 HG22 VAL A 12 -4.533 2.103 14.492 1.00 0.92 H new ATOM 0 HG23 VAL A 12 -4.751 0.379 14.880 1.00 0.92 H new ATOM 189 N ASP A 13 -1.392 2.547 18.132 1.00 0.97 N ATOM 190 CA ASP A 13 -0.767 2.963 19.375 1.00 1.06 C ATOM 191 C ASP A 13 -0.814 1.806 20.376 1.00 1.11 C ATOM 192 O ASP A 13 -1.712 1.741 21.213 1.00 1.13 O ATOM 193 CB ASP A 13 -1.506 4.152 19.993 1.00 1.08 C ATOM 194 CG ASP A 13 -1.241 5.500 19.318 1.00 1.52 C ATOM 195 OD1 ASP A 13 -1.965 5.799 18.345 1.00 1.92 O ATOM 196 OD2 ASP A 13 -0.319 6.199 19.791 1.00 2.87 O ATOM 0 H ASP A 13 -0.864 2.780 17.291 1.00 0.97 H new ATOM 0 HA ASP A 13 0.261 3.252 19.155 1.00 1.06 H new ATOM 0 HB2 ASP A 13 -2.577 3.951 19.961 1.00 1.08 H new ATOM 0 HB3 ASP A 13 -1.227 4.228 21.044 1.00 1.08 H new ATOM 201 N GLY A 14 0.166 0.922 20.256 1.00 1.18 N ATOM 202 CA GLY A 14 0.302 -0.176 21.196 1.00 1.28 C ATOM 203 C GLY A 14 -1.043 -0.869 21.427 1.00 1.24 C ATOM 204 O GLY A 14 -1.387 -1.204 22.560 1.00 1.33 O ATOM 0 H GLY A 14 0.873 0.945 19.521 1.00 1.18 H new ATOM 0 HA2 GLY A 14 1.026 -0.897 20.817 1.00 1.28 H new ATOM 0 HA3 GLY A 14 0.690 0.198 22.144 1.00 1.28 H new ATOM 208 N GLU A 15 -1.766 -1.065 20.335 1.00 1.14 N ATOM 209 CA GLU A 15 -3.051 -1.744 20.399 1.00 1.13 C ATOM 210 C GLU A 15 -3.379 -2.386 19.049 1.00 1.06 C ATOM 211 O GLU A 15 -3.563 -1.687 18.054 1.00 1.05 O ATOM 212 CB GLU A 15 -4.158 -0.783 20.833 1.00 1.14 C ATOM 213 CG GLU A 15 -5.349 -1.545 21.417 1.00 1.28 C ATOM 214 CD GLU A 15 -6.171 -2.207 20.308 1.00 2.45 C ATOM 215 OE1 GLU A 15 -6.478 -1.496 19.327 1.00 3.54 O ATOM 216 OE2 GLU A 15 -6.475 -3.409 20.468 1.00 3.67 O ATOM 0 H GLU A 15 -1.488 -0.766 19.400 1.00 1.14 H new ATOM 0 HA GLU A 15 -2.987 -2.533 21.149 1.00 1.13 H new ATOM 0 HB2 GLU A 15 -3.769 -0.086 21.575 1.00 1.14 H new ATOM 0 HB3 GLU A 15 -4.485 -0.190 19.979 1.00 1.14 H new ATOM 0 HG2 GLU A 15 -4.994 -2.304 22.114 1.00 1.28 H new ATOM 0 HG3 GLU A 15 -5.980 -0.861 21.984 1.00 1.28 H new ATOM 223 N PRO A 16 -3.446 -3.744 19.061 1.00 1.07 N ATOM 224 CA PRO A 16 -3.687 -4.491 17.838 1.00 1.03 C ATOM 225 C PRO A 16 -5.154 -4.388 17.412 1.00 0.99 C ATOM 226 O PRO A 16 -6.024 -5.014 18.016 1.00 1.04 O ATOM 227 CB PRO A 16 -3.261 -5.915 18.155 1.00 1.12 C ATOM 228 CG PRO A 16 -3.234 -6.013 19.672 1.00 1.18 C ATOM 229 CD PRO A 16 -3.293 -4.601 20.231 1.00 1.14 C ATOM 0 HA PRO A 16 -3.125 -4.100 16.990 1.00 1.03 H new ATOM 0 HB2 PRO A 16 -3.959 -6.636 17.729 1.00 1.12 H new ATOM 0 HB3 PRO A 16 -2.280 -6.133 17.732 1.00 1.12 H new ATOM 0 HG2 PRO A 16 -4.078 -6.602 20.032 1.00 1.18 H new ATOM 0 HG3 PRO A 16 -2.328 -6.518 20.006 1.00 1.18 H new ATOM 0 HD2 PRO A 16 -4.129 -4.483 20.920 1.00 1.14 H new ATOM 0 HD3 PRO A 16 -2.387 -4.356 20.785 1.00 1.14 H new ATOM 237 N LEU A 17 -5.382 -3.592 16.379 1.00 0.97 N ATOM 238 CA LEU A 17 -6.731 -3.387 15.876 1.00 1.02 C ATOM 239 C LEU A 17 -7.156 -4.607 15.057 1.00 1.00 C ATOM 240 O LEU A 17 -8.283 -5.084 15.185 1.00 1.07 O ATOM 241 CB LEU A 17 -6.820 -2.068 15.106 1.00 1.17 C ATOM 242 CG LEU A 17 -8.171 -1.760 14.457 1.00 1.10 C ATOM 243 CD1 LEU A 17 -9.232 -1.459 15.517 1.00 1.20 C ATOM 244 CD2 LEU A 17 -8.043 -0.629 13.436 1.00 2.18 C ATOM 0 H LEU A 17 -4.657 -3.081 15.876 1.00 0.97 H new ATOM 0 HA LEU A 17 -7.436 -3.296 16.702 1.00 1.02 H new ATOM 0 HB2 LEU A 17 -6.573 -1.255 15.788 1.00 1.17 H new ATOM 0 HB3 LEU A 17 -6.058 -2.073 14.327 1.00 1.17 H new ATOM 0 HG LEU A 17 -8.500 -2.647 13.915 1.00 1.10 H new ATOM 0 HD11 LEU A 17 -10.183 -1.243 15.029 1.00 1.20 H new ATOM 0 HD12 LEU A 17 -9.348 -2.323 16.172 1.00 1.20 H new ATOM 0 HD13 LEU A 17 -8.923 -0.596 16.107 1.00 1.20 H new ATOM 0 HD21 LEU A 17 -9.017 -0.430 12.989 1.00 2.18 H new ATOM 0 HD22 LEU A 17 -7.681 0.271 13.933 1.00 2.18 H new ATOM 0 HD23 LEU A 17 -7.339 -0.921 12.656 1.00 2.18 H new ATOM 256 N GLY A 18 -6.231 -5.078 14.231 1.00 1.01 N ATOM 257 CA GLY A 18 -6.506 -6.217 13.371 1.00 1.19 C ATOM 258 C GLY A 18 -5.328 -6.491 12.434 1.00 0.90 C ATOM 259 O GLY A 18 -4.213 -6.039 12.684 1.00 0.73 O ATOM 0 H GLY A 18 -5.292 -4.691 14.140 1.00 1.01 H new ATOM 0 HA2 GLY A 18 -6.704 -7.099 13.981 1.00 1.19 H new ATOM 0 HA3 GLY A 18 -7.405 -6.027 12.785 1.00 1.19 H new ATOM 263 N ARG A 19 -5.618 -7.232 11.375 1.00 1.30 N ATOM 264 CA ARG A 19 -4.576 -7.671 10.461 1.00 1.13 C ATOM 265 C ARG A 19 -5.152 -7.875 9.058 1.00 0.87 C ATOM 266 O ARG A 19 -6.167 -8.550 8.892 1.00 0.87 O ATOM 267 CB ARG A 19 -3.938 -8.977 10.939 1.00 1.24 C ATOM 268 CG ARG A 19 -2.925 -9.499 9.917 1.00 1.58 C ATOM 269 CD ARG A 19 -1.828 -10.317 10.602 1.00 2.02 C ATOM 270 NE ARG A 19 -2.346 -10.907 11.857 1.00 2.39 N ATOM 271 CZ ARG A 19 -3.069 -12.033 11.915 1.00 3.59 C ATOM 272 NH1 ARG A 19 -3.455 -12.641 10.785 1.00 4.54 N ATOM 273 NH2 ARG A 19 -3.408 -12.551 13.103 1.00 4.69 N ATOM 0 H ARG A 19 -6.559 -7.540 11.129 1.00 1.30 H new ATOM 0 HA ARG A 19 -3.810 -6.896 10.434 1.00 1.13 H new ATOM 0 HB2 ARG A 19 -3.443 -8.815 11.897 1.00 1.24 H new ATOM 0 HB3 ARG A 19 -4.713 -9.726 11.103 1.00 1.24 H new ATOM 0 HG2 ARG A 19 -3.435 -10.115 9.176 1.00 1.58 H new ATOM 0 HG3 ARG A 19 -2.478 -8.661 9.382 1.00 1.58 H new ATOM 0 HD2 ARG A 19 -1.481 -11.107 9.935 1.00 2.02 H new ATOM 0 HD3 ARG A 19 -0.969 -9.681 10.817 1.00 2.02 H new ATOM 0 HE ARG A 19 -2.139 -10.426 12.732 1.00 2.39 H new ATOM 0 HH11 ARG A 19 -3.198 -12.246 9.880 1.00 4.54 H new ATOM 0 HH12 ARG A 19 -4.006 -13.498 10.830 1.00 4.54 H new ATOM 0 HH21 ARG A 19 -3.116 -12.088 13.963 1.00 4.69 H new ATOM 0 HH22 ARG A 19 -3.959 -13.408 13.147 1.00 4.69 H new ATOM 287 N VAL A 20 -4.477 -7.281 8.084 1.00 0.93 N ATOM 288 CA VAL A 20 -4.954 -7.321 6.712 1.00 0.89 C ATOM 289 C VAL A 20 -4.056 -8.249 5.892 1.00 1.01 C ATOM 290 O VAL A 20 -2.871 -8.393 6.188 1.00 2.03 O ATOM 291 CB VAL A 20 -5.027 -5.903 6.141 1.00 0.97 C ATOM 292 CG1 VAL A 20 -5.806 -5.882 4.824 1.00 0.99 C ATOM 293 CG2 VAL A 20 -5.640 -4.935 7.156 1.00 1.07 C ATOM 0 H VAL A 20 -3.604 -6.770 8.218 1.00 0.93 H new ATOM 0 HA VAL A 20 -5.965 -7.726 6.671 1.00 0.89 H new ATOM 0 HB VAL A 20 -4.009 -5.572 5.934 1.00 0.97 H new ATOM 0 HG11 VAL A 20 -5.843 -4.863 4.439 1.00 0.99 H new ATOM 0 HG12 VAL A 20 -5.310 -6.526 4.098 1.00 0.99 H new ATOM 0 HG13 VAL A 20 -6.820 -6.242 4.995 1.00 0.99 H new ATOM 0 HG21 VAL A 20 -5.681 -3.934 6.726 1.00 1.07 H new ATOM 0 HG22 VAL A 20 -6.649 -5.263 7.408 1.00 1.07 H new ATOM 0 HG23 VAL A 20 -5.028 -4.918 8.058 1.00 1.07 H new ATOM 303 N SER A 21 -4.655 -8.855 4.877 1.00 0.91 N ATOM 304 CA SER A 21 -3.931 -9.787 4.029 1.00 0.80 C ATOM 305 C SER A 21 -4.181 -9.456 2.556 1.00 0.78 C ATOM 306 O SER A 21 -5.259 -8.987 2.197 1.00 0.87 O ATOM 307 CB SER A 21 -4.338 -11.232 4.325 1.00 0.87 C ATOM 308 OG SER A 21 -5.719 -11.463 4.061 1.00 2.13 O ATOM 0 H SER A 21 -5.633 -8.719 4.623 1.00 0.91 H new ATOM 0 HA SER A 21 -2.867 -9.687 4.242 1.00 0.80 H new ATOM 0 HB2 SER A 21 -3.735 -11.909 3.720 1.00 0.87 H new ATOM 0 HB3 SER A 21 -4.125 -11.462 5.369 1.00 0.87 H new ATOM 0 HG SER A 21 -5.939 -12.397 4.261 1.00 2.13 H new ATOM 314 N PHE A 22 -3.166 -9.713 1.744 1.00 0.72 N ATOM 315 CA PHE A 22 -3.266 -9.461 0.318 1.00 0.75 C ATOM 316 C PHE A 22 -2.748 -10.653 -0.489 1.00 0.72 C ATOM 317 O PHE A 22 -1.595 -11.053 -0.340 1.00 1.03 O ATOM 318 CB PHE A 22 -2.395 -8.239 0.017 1.00 0.81 C ATOM 319 CG PHE A 22 -2.560 -7.096 1.021 1.00 0.81 C ATOM 320 CD1 PHE A 22 -3.747 -6.440 1.115 1.00 1.99 C ATOM 321 CD2 PHE A 22 -1.519 -6.735 1.818 1.00 2.12 C ATOM 322 CE1 PHE A 22 -3.900 -5.379 2.047 1.00 1.94 C ATOM 323 CE2 PHE A 22 -1.671 -5.675 2.749 1.00 2.22 C ATOM 324 CZ PHE A 22 -2.859 -5.019 2.844 1.00 0.95 C ATOM 0 H PHE A 22 -2.270 -10.094 2.048 1.00 0.72 H new ATOM 0 HA PHE A 22 -4.308 -9.296 0.043 1.00 0.75 H new ATOM 0 HB2 PHE A 22 -1.349 -8.546 -0.000 1.00 0.81 H new ATOM 0 HB3 PHE A 22 -2.635 -7.871 -0.980 1.00 0.81 H new ATOM 0 HD1 PHE A 22 -4.574 -6.725 0.481 1.00 1.99 H new ATOM 0 HD2 PHE A 22 -0.576 -7.256 1.742 1.00 2.12 H new ATOM 0 HE1 PHE A 22 -4.843 -4.858 2.122 1.00 1.94 H new ATOM 0 HE2 PHE A 22 -0.844 -5.389 3.382 1.00 2.22 H new ATOM 0 HZ PHE A 22 -2.975 -4.212 3.553 1.00 0.95 H new ATOM 334 N GLU A 23 -3.626 -11.187 -1.327 1.00 0.70 N ATOM 335 CA GLU A 23 -3.296 -12.371 -2.101 1.00 0.86 C ATOM 336 C GLU A 23 -2.058 -12.113 -2.963 1.00 1.43 C ATOM 337 O GLU A 23 -1.332 -13.045 -3.307 1.00 3.51 O ATOM 338 CB GLU A 23 -4.482 -12.811 -2.961 1.00 0.79 C ATOM 339 CG GLU A 23 -4.766 -11.792 -4.067 1.00 2.28 C ATOM 340 CD GLU A 23 -5.776 -12.343 -5.074 1.00 2.84 C ATOM 341 OE1 GLU A 23 -5.368 -13.221 -5.866 1.00 3.61 O ATOM 342 OE2 GLU A 23 -6.934 -11.875 -5.032 1.00 3.05 O ATOM 0 H GLU A 23 -4.565 -10.821 -1.486 1.00 0.70 H new ATOM 0 HA GLU A 23 -3.070 -13.183 -1.410 1.00 0.86 H new ATOM 0 HB2 GLU A 23 -4.273 -13.785 -3.404 1.00 0.79 H new ATOM 0 HB3 GLU A 23 -5.366 -12.929 -2.334 1.00 0.79 H new ATOM 0 HG2 GLU A 23 -5.150 -10.871 -3.628 1.00 2.28 H new ATOM 0 HG3 GLU A 23 -3.838 -11.538 -4.579 1.00 2.28 H new ATOM 349 N LEU A 24 -1.856 -10.846 -3.288 1.00 0.93 N ATOM 350 CA LEU A 24 -0.823 -10.472 -4.240 1.00 0.91 C ATOM 351 C LEU A 24 -1.054 -11.221 -5.554 1.00 0.92 C ATOM 352 O LEU A 24 -0.918 -12.442 -5.609 1.00 1.08 O ATOM 353 CB LEU A 24 0.565 -10.696 -3.639 1.00 1.04 C ATOM 354 CG LEU A 24 0.957 -9.766 -2.490 1.00 1.26 C ATOM 355 CD1 LEU A 24 2.466 -9.807 -2.240 1.00 2.17 C ATOM 356 CD2 LEU A 24 0.457 -8.343 -2.741 1.00 1.88 C ATOM 0 H LEU A 24 -2.390 -10.064 -2.909 1.00 0.93 H new ATOM 0 HA LEU A 24 -0.878 -9.407 -4.465 1.00 0.91 H new ATOM 0 HB2 LEU A 24 0.623 -11.725 -3.283 1.00 1.04 H new ATOM 0 HB3 LEU A 24 1.304 -10.591 -4.433 1.00 1.04 H new ATOM 0 HG LEU A 24 0.471 -10.123 -1.582 1.00 1.26 H new ATOM 0 HD11 LEU A 24 2.717 -9.137 -1.418 1.00 2.17 H new ATOM 0 HD12 LEU A 24 2.765 -10.823 -1.984 1.00 2.17 H new ATOM 0 HD13 LEU A 24 2.993 -9.490 -3.140 1.00 2.17 H new ATOM 0 HD21 LEU A 24 0.749 -7.703 -1.909 1.00 1.88 H new ATOM 0 HD22 LEU A 24 0.894 -7.961 -3.664 1.00 1.88 H new ATOM 0 HD23 LEU A 24 -0.629 -8.349 -2.830 1.00 1.88 H new ATOM 368 N PHE A 25 -1.397 -10.457 -6.581 1.00 0.94 N ATOM 369 CA PHE A 25 -1.586 -11.024 -7.906 1.00 0.95 C ATOM 370 C PHE A 25 -0.240 -11.316 -8.574 1.00 0.92 C ATOM 371 O PHE A 25 0.177 -10.594 -9.478 1.00 1.09 O ATOM 372 CB PHE A 25 -2.338 -9.982 -8.736 1.00 1.09 C ATOM 373 CG PHE A 25 -3.826 -9.873 -8.397 1.00 1.05 C ATOM 374 CD1 PHE A 25 -4.595 -10.992 -8.344 1.00 1.33 C ATOM 375 CD2 PHE A 25 -4.379 -8.655 -8.148 1.00 2.34 C ATOM 376 CE1 PHE A 25 -5.976 -10.891 -8.030 1.00 1.36 C ATOM 377 CE2 PHE A 25 -5.761 -8.554 -7.834 1.00 2.43 C ATOM 378 CZ PHE A 25 -6.529 -9.674 -7.782 1.00 1.29 C ATOM 0 H PHE A 25 -1.549 -9.450 -6.522 1.00 0.94 H new ATOM 0 HA PHE A 25 -2.137 -11.962 -7.834 1.00 0.95 H new ATOM 0 HB2 PHE A 25 -1.870 -9.009 -8.589 1.00 1.09 H new ATOM 0 HB3 PHE A 25 -2.234 -10.230 -9.792 1.00 1.09 H new ATOM 0 HD1 PHE A 25 -4.156 -11.959 -8.541 1.00 1.33 H new ATOM 0 HD2 PHE A 25 -3.768 -7.766 -8.189 1.00 2.34 H new ATOM 0 HE1 PHE A 25 -6.587 -11.781 -7.988 1.00 1.36 H new ATOM 0 HE2 PHE A 25 -6.201 -7.588 -7.637 1.00 2.43 H new ATOM 0 HZ PHE A 25 -7.580 -9.597 -7.543 1.00 1.29 H new ATOM 388 N ALA A 26 0.400 -12.376 -8.102 1.00 0.85 N ATOM 389 CA ALA A 26 1.698 -12.761 -8.630 1.00 0.92 C ATOM 390 C ALA A 26 1.513 -13.427 -9.994 1.00 0.96 C ATOM 391 O ALA A 26 2.426 -13.427 -10.818 1.00 1.06 O ATOM 392 CB ALA A 26 2.406 -13.675 -7.626 1.00 1.07 C ATOM 0 H ALA A 26 0.044 -12.980 -7.361 1.00 0.85 H new ATOM 0 HA ALA A 26 2.329 -11.884 -8.775 1.00 0.92 H new ATOM 0 HB1 ALA A 26 3.380 -13.964 -8.021 1.00 1.07 H new ATOM 0 HB2 ALA A 26 2.540 -13.145 -6.683 1.00 1.07 H new ATOM 0 HB3 ALA A 26 1.803 -14.567 -7.458 1.00 1.07 H new ATOM 398 N ASP A 27 0.324 -13.978 -10.191 1.00 1.04 N ATOM 399 CA ASP A 27 0.018 -14.676 -11.429 1.00 1.10 C ATOM 400 C ASP A 27 -0.609 -13.695 -12.421 1.00 1.47 C ATOM 401 O ASP A 27 -1.592 -14.021 -13.084 1.00 2.72 O ATOM 402 CB ASP A 27 -0.980 -15.811 -11.190 1.00 1.38 C ATOM 403 CG ASP A 27 -1.161 -16.771 -12.367 1.00 1.74 C ATOM 404 OD1 ASP A 27 -0.182 -16.926 -13.128 1.00 2.17 O ATOM 405 OD2 ASP A 27 -2.273 -17.330 -12.477 1.00 2.59 O ATOM 0 H ASP A 27 -0.439 -13.955 -9.514 1.00 1.04 H new ATOM 0 HA ASP A 27 0.947 -15.090 -11.821 1.00 1.10 H new ATOM 0 HB2 ASP A 27 -0.655 -16.383 -10.321 1.00 1.38 H new ATOM 0 HB3 ASP A 27 -1.949 -15.377 -10.942 1.00 1.38 H new ATOM 410 N LYS A 28 -0.016 -12.512 -12.491 1.00 1.02 N ATOM 411 CA LYS A 28 -0.488 -11.491 -13.408 1.00 1.17 C ATOM 412 C LYS A 28 0.557 -10.378 -13.508 1.00 1.02 C ATOM 413 O LYS A 28 0.948 -9.986 -14.607 1.00 1.08 O ATOM 414 CB LYS A 28 -1.875 -10.997 -12.991 1.00 1.49 C ATOM 415 CG LYS A 28 -2.916 -11.312 -14.067 1.00 1.17 C ATOM 416 CD LYS A 28 -4.305 -10.825 -13.646 1.00 2.00 C ATOM 417 CE LYS A 28 -5.385 -11.378 -14.576 1.00 2.23 C ATOM 418 NZ LYS A 28 -6.715 -10.848 -14.199 1.00 3.75 N ATOM 0 H LYS A 28 0.788 -12.239 -11.926 1.00 1.02 H new ATOM 0 HA LYS A 28 -0.610 -11.905 -14.409 1.00 1.17 H new ATOM 0 HB2 LYS A 28 -2.165 -11.467 -12.051 1.00 1.49 H new ATOM 0 HB3 LYS A 28 -1.844 -9.922 -12.814 1.00 1.49 H new ATOM 0 HG2 LYS A 28 -2.629 -10.837 -15.005 1.00 1.17 H new ATOM 0 HG3 LYS A 28 -2.943 -12.386 -14.248 1.00 1.17 H new ATOM 0 HD2 LYS A 28 -4.508 -11.136 -12.621 1.00 2.00 H new ATOM 0 HD3 LYS A 28 -4.332 -9.735 -13.659 1.00 2.00 H new ATOM 0 HE2 LYS A 28 -5.158 -11.108 -15.607 1.00 2.23 H new ATOM 0 HE3 LYS A 28 -5.393 -12.467 -14.526 1.00 2.23 H new ATOM 0 HZ1 LYS A 28 -7.437 -11.234 -14.841 1.00 3.75 H new ATOM 0 HZ2 LYS A 28 -6.936 -11.127 -13.222 1.00 3.75 H new ATOM 0 HZ3 LYS A 28 -6.708 -9.810 -14.269 1.00 3.75 H new ATOM 432 N VAL A 29 0.979 -9.900 -12.348 1.00 0.96 N ATOM 433 CA VAL A 29 2.005 -8.872 -12.289 1.00 0.90 C ATOM 434 C VAL A 29 3.011 -9.223 -11.191 1.00 1.02 C ATOM 435 O VAL A 29 2.971 -8.653 -10.102 1.00 1.11 O ATOM 436 CB VAL A 29 1.359 -7.499 -12.092 1.00 0.87 C ATOM 437 CG1 VAL A 29 0.824 -6.949 -13.416 1.00 0.90 C ATOM 438 CG2 VAL A 29 0.253 -7.561 -11.037 1.00 1.02 C ATOM 0 H VAL A 29 0.629 -10.205 -11.440 1.00 0.96 H new ATOM 0 HA VAL A 29 2.554 -8.826 -13.229 1.00 0.90 H new ATOM 0 HB VAL A 29 2.128 -6.815 -11.732 1.00 0.87 H new ATOM 0 HG11 VAL A 29 0.370 -5.972 -13.247 1.00 0.90 H new ATOM 0 HG12 VAL A 29 1.644 -6.850 -14.127 1.00 0.90 H new ATOM 0 HG13 VAL A 29 0.076 -7.632 -13.818 1.00 0.90 H new ATOM 0 HG21 VAL A 29 -0.190 -6.573 -10.916 1.00 1.02 H new ATOM 0 HG22 VAL A 29 -0.515 -8.266 -11.356 1.00 1.02 H new ATOM 0 HG23 VAL A 29 0.675 -7.889 -10.087 1.00 1.02 H new ATOM 448 N PRO A 30 3.913 -10.185 -11.524 1.00 1.12 N ATOM 449 CA PRO A 30 4.863 -10.691 -10.548 1.00 1.32 C ATOM 450 C PRO A 30 5.982 -9.678 -10.297 1.00 1.41 C ATOM 451 O PRO A 30 6.450 -9.531 -9.169 1.00 2.56 O ATOM 452 CB PRO A 30 5.367 -12.001 -11.131 1.00 1.49 C ATOM 453 CG PRO A 30 5.035 -11.952 -12.614 1.00 1.41 C ATOM 454 CD PRO A 30 4.053 -10.814 -12.835 1.00 1.18 C ATOM 0 HA PRO A 30 4.413 -10.854 -9.569 1.00 1.32 H new ATOM 0 HB2 PRO A 30 6.440 -12.111 -10.974 1.00 1.49 H new ATOM 0 HB3 PRO A 30 4.886 -12.853 -10.651 1.00 1.49 H new ATOM 0 HG2 PRO A 30 5.939 -11.796 -13.202 1.00 1.41 H new ATOM 0 HG3 PRO A 30 4.602 -12.898 -12.940 1.00 1.41 H new ATOM 0 HD2 PRO A 30 4.427 -10.107 -13.576 1.00 1.18 H new ATOM 0 HD3 PRO A 30 3.095 -11.183 -13.201 1.00 1.18 H new ATOM 462 N LYS A 31 6.381 -9.007 -11.367 1.00 0.98 N ATOM 463 CA LYS A 31 7.522 -8.110 -11.307 1.00 0.98 C ATOM 464 C LYS A 31 7.168 -6.900 -10.439 1.00 1.10 C ATOM 465 O LYS A 31 8.053 -6.250 -9.885 1.00 1.56 O ATOM 466 CB LYS A 31 7.989 -7.741 -12.716 1.00 1.03 C ATOM 467 CG LYS A 31 7.116 -6.634 -13.311 1.00 2.77 C ATOM 468 CD LYS A 31 7.788 -5.267 -13.164 1.00 3.24 C ATOM 469 CE LYS A 31 7.165 -4.245 -14.117 1.00 4.94 C ATOM 470 NZ LYS A 31 7.702 -4.417 -15.485 1.00 5.20 N ATOM 0 H LYS A 31 5.934 -9.067 -12.282 1.00 0.98 H new ATOM 0 HA LYS A 31 8.371 -8.604 -10.835 1.00 0.98 H new ATOM 0 HB2 LYS A 31 9.028 -7.412 -12.684 1.00 1.03 H new ATOM 0 HB3 LYS A 31 7.953 -8.622 -13.357 1.00 1.03 H new ATOM 0 HG2 LYS A 31 6.929 -6.840 -14.365 1.00 2.77 H new ATOM 0 HG3 LYS A 31 6.147 -6.622 -12.812 1.00 2.77 H new ATOM 0 HD2 LYS A 31 7.690 -4.918 -12.136 1.00 3.24 H new ATOM 0 HD3 LYS A 31 8.855 -5.358 -13.369 1.00 3.24 H new ATOM 0 HE2 LYS A 31 6.081 -4.363 -14.128 1.00 4.94 H new ATOM 0 HE3 LYS A 31 7.372 -3.235 -13.763 1.00 4.94 H new ATOM 0 HZ1 LYS A 31 7.281 -3.705 -16.115 1.00 5.20 H new ATOM 0 HZ2 LYS A 31 8.735 -4.299 -15.470 1.00 5.20 H new ATOM 0 HZ3 LYS A 31 7.467 -5.369 -15.833 1.00 5.20 H new ATOM 484 N THR A 32 5.873 -6.634 -10.349 1.00 0.85 N ATOM 485 CA THR A 32 5.388 -5.552 -9.511 1.00 0.92 C ATOM 486 C THR A 32 5.126 -6.055 -8.090 1.00 0.94 C ATOM 487 O THR A 32 5.489 -5.393 -7.118 1.00 1.07 O ATOM 488 CB THR A 32 4.149 -4.953 -10.182 1.00 0.95 C ATOM 489 OG1 THR A 32 4.553 -4.744 -11.532 1.00 1.09 O ATOM 490 CG2 THR A 32 3.826 -3.550 -9.667 1.00 1.00 C ATOM 0 H THR A 32 5.145 -7.150 -10.843 1.00 0.85 H new ATOM 0 HA THR A 32 6.134 -4.764 -9.411 1.00 0.92 H new ATOM 0 HB THR A 32 3.293 -5.607 -10.014 1.00 0.95 H new ATOM 0 HG1 THR A 32 3.809 -4.359 -12.040 1.00 1.09 H new ATOM 0 HG21 THR A 32 2.939 -3.171 -10.175 1.00 1.00 H new ATOM 0 HG22 THR A 32 3.640 -3.590 -8.594 1.00 1.00 H new ATOM 0 HG23 THR A 32 4.668 -2.887 -9.865 1.00 1.00 H new ATOM 498 N ALA A 33 4.499 -7.219 -8.014 1.00 0.92 N ATOM 499 CA ALA A 33 4.174 -7.811 -6.728 1.00 1.05 C ATOM 500 C ALA A 33 5.462 -8.026 -5.930 1.00 1.12 C ATOM 501 O ALA A 33 5.469 -7.887 -4.708 1.00 1.24 O ATOM 502 CB ALA A 33 3.400 -9.114 -6.947 1.00 1.07 C ATOM 0 H ALA A 33 4.207 -7.768 -8.822 1.00 0.92 H new ATOM 0 HA ALA A 33 3.535 -7.144 -6.149 1.00 1.05 H new ATOM 0 HB1 ALA A 33 3.156 -9.559 -5.982 1.00 1.07 H new ATOM 0 HB2 ALA A 33 2.480 -8.904 -7.493 1.00 1.07 H new ATOM 0 HB3 ALA A 33 4.012 -9.809 -7.522 1.00 1.07 H new ATOM 508 N GLU A 34 6.520 -8.359 -6.654 1.00 1.08 N ATOM 509 CA GLU A 34 7.806 -8.616 -6.026 1.00 1.20 C ATOM 510 C GLU A 34 8.182 -7.460 -5.096 1.00 1.24 C ATOM 511 O GLU A 34 8.718 -7.682 -4.011 1.00 1.26 O ATOM 512 CB GLU A 34 8.891 -8.851 -7.077 1.00 1.36 C ATOM 513 CG GLU A 34 10.137 -9.481 -6.448 1.00 1.43 C ATOM 514 CD GLU A 34 9.909 -10.964 -6.150 1.00 1.90 C ATOM 515 OE1 GLU A 34 10.106 -11.767 -7.087 1.00 2.65 O ATOM 516 OE2 GLU A 34 9.544 -11.261 -4.992 1.00 3.16 O ATOM 0 H GLU A 34 6.514 -8.457 -7.669 1.00 1.08 H new ATOM 0 HA GLU A 34 7.723 -9.524 -5.429 1.00 1.20 H new ATOM 0 HB2 GLU A 34 8.507 -9.502 -7.862 1.00 1.36 H new ATOM 0 HB3 GLU A 34 9.156 -7.905 -7.549 1.00 1.36 H new ATOM 0 HG2 GLU A 34 10.986 -9.368 -7.122 1.00 1.43 H new ATOM 0 HG3 GLU A 34 10.389 -8.956 -5.527 1.00 1.43 H new ATOM 523 N ASN A 35 7.888 -6.253 -5.556 1.00 1.35 N ATOM 524 CA ASN A 35 8.208 -5.061 -4.789 1.00 1.50 C ATOM 525 C ASN A 35 7.668 -5.217 -3.365 1.00 1.33 C ATOM 526 O ASN A 35 8.392 -4.993 -2.395 1.00 1.75 O ATOM 527 CB ASN A 35 7.563 -3.820 -5.406 1.00 1.81 C ATOM 528 CG ASN A 35 7.912 -2.564 -4.604 1.00 2.80 C ATOM 529 OD1 ASN A 35 7.203 -2.157 -3.698 1.00 4.19 O ATOM 530 ND2 ASN A 35 9.043 -1.975 -4.985 1.00 2.99 N ATOM 0 H ASN A 35 7.431 -6.075 -6.451 1.00 1.35 H new ATOM 0 HA ASN A 35 9.291 -4.941 -4.788 1.00 1.50 H new ATOM 0 HB2 ASN A 35 7.901 -3.704 -6.436 1.00 1.81 H new ATOM 0 HB3 ASN A 35 6.481 -3.946 -5.438 1.00 1.81 H new ATOM 0 HD21 ASN A 35 9.363 -1.131 -4.511 1.00 2.99 H new ATOM 0 HD22 ASN A 35 9.590 -2.368 -5.751 1.00 2.99 H new ATOM 537 N PHE A 36 6.403 -5.599 -3.285 1.00 1.17 N ATOM 538 CA PHE A 36 5.744 -5.741 -1.998 1.00 1.04 C ATOM 539 C PHE A 36 6.211 -7.009 -1.279 1.00 0.81 C ATOM 540 O PHE A 36 6.464 -6.987 -0.076 1.00 0.82 O ATOM 541 CB PHE A 36 4.242 -5.849 -2.272 1.00 1.20 C ATOM 542 CG PHE A 36 3.363 -5.536 -1.060 1.00 1.82 C ATOM 543 CD1 PHE A 36 3.281 -6.423 -0.033 1.00 2.97 C ATOM 544 CD2 PHE A 36 2.665 -4.370 -1.009 1.00 2.68 C ATOM 545 CE1 PHE A 36 2.466 -6.134 1.093 1.00 3.79 C ATOM 546 CE2 PHE A 36 1.849 -4.080 0.117 1.00 3.32 C ATOM 547 CZ PHE A 36 1.767 -4.968 1.144 1.00 3.53 C ATOM 0 H PHE A 36 5.816 -5.815 -4.091 1.00 1.17 H new ATOM 0 HA PHE A 36 5.981 -4.887 -1.364 1.00 1.04 H new ATOM 0 HB2 PHE A 36 3.981 -5.168 -3.082 1.00 1.20 H new ATOM 0 HB3 PHE A 36 4.018 -6.858 -2.619 1.00 1.20 H new ATOM 0 HD1 PHE A 36 3.836 -7.348 -0.074 1.00 2.97 H new ATOM 0 HD2 PHE A 36 2.731 -3.665 -1.824 1.00 2.68 H new ATOM 0 HE1 PHE A 36 2.401 -6.839 1.908 1.00 3.79 H new ATOM 0 HE2 PHE A 36 1.294 -3.155 0.158 1.00 3.32 H new ATOM 0 HZ PHE A 36 1.147 -4.747 2.000 1.00 3.53 H new ATOM 557 N ARG A 37 6.311 -8.084 -2.047 1.00 0.77 N ATOM 558 CA ARG A 37 6.660 -9.376 -1.484 1.00 0.81 C ATOM 559 C ARG A 37 7.966 -9.275 -0.693 1.00 0.82 C ATOM 560 O ARG A 37 8.075 -9.821 0.404 1.00 0.88 O ATOM 561 CB ARG A 37 6.818 -10.431 -2.582 1.00 1.04 C ATOM 562 CG ARG A 37 7.051 -11.818 -1.980 1.00 1.27 C ATOM 563 CD ARG A 37 5.815 -12.298 -1.216 1.00 2.15 C ATOM 564 NE ARG A 37 5.833 -13.773 -1.099 1.00 2.72 N ATOM 565 CZ ARG A 37 4.786 -14.508 -0.702 1.00 3.86 C ATOM 566 NH1 ARG A 37 3.565 -13.960 -0.649 1.00 4.63 N ATOM 567 NH2 ARG A 37 4.960 -15.792 -0.359 1.00 4.97 N ATOM 0 H ARG A 37 6.156 -8.086 -3.055 1.00 0.77 H new ATOM 0 HA ARG A 37 5.850 -9.677 -0.819 1.00 0.81 H new ATOM 0 HB2 ARG A 37 5.925 -10.447 -3.207 1.00 1.04 H new ATOM 0 HB3 ARG A 37 7.655 -10.166 -3.228 1.00 1.04 H new ATOM 0 HG2 ARG A 37 7.291 -12.527 -2.772 1.00 1.27 H new ATOM 0 HG3 ARG A 37 7.909 -11.788 -1.309 1.00 1.27 H new ATOM 0 HD2 ARG A 37 5.793 -11.847 -0.224 1.00 2.15 H new ATOM 0 HD3 ARG A 37 4.911 -11.977 -1.733 1.00 2.15 H new ATOM 0 HE ARG A 37 6.697 -14.261 -1.336 1.00 2.72 H new ATOM 0 HH11 ARG A 37 3.433 -12.983 -0.911 1.00 4.63 H new ATOM 0 HH12 ARG A 37 2.768 -14.520 -0.347 1.00 4.63 H new ATOM 0 HH21 ARG A 37 5.890 -16.209 -0.400 1.00 4.97 H new ATOM 0 HH22 ARG A 37 4.163 -16.352 -0.057 1.00 4.97 H new ATOM 581 N ALA A 38 8.924 -8.571 -1.280 1.00 0.86 N ATOM 582 CA ALA A 38 10.261 -8.512 -0.715 1.00 0.90 C ATOM 583 C ALA A 38 10.266 -7.554 0.476 1.00 0.95 C ATOM 584 O ALA A 38 10.861 -7.847 1.512 1.00 1.03 O ATOM 585 CB ALA A 38 11.255 -8.098 -1.802 1.00 0.90 C ATOM 0 H ALA A 38 8.800 -8.037 -2.140 1.00 0.86 H new ATOM 0 HA ALA A 38 10.567 -9.492 -0.349 1.00 0.90 H new ATOM 0 HB1 ALA A 38 12.259 -8.053 -1.379 1.00 0.90 H new ATOM 0 HB2 ALA A 38 11.234 -8.828 -2.611 1.00 0.90 H new ATOM 0 HB3 ALA A 38 10.981 -7.117 -2.191 1.00 0.90 H new ATOM 591 N LEU A 39 9.596 -6.425 0.290 1.00 0.97 N ATOM 592 CA LEU A 39 9.637 -5.359 1.277 1.00 1.11 C ATOM 593 C LEU A 39 8.838 -5.782 2.511 1.00 1.28 C ATOM 594 O LEU A 39 9.012 -5.219 3.591 1.00 1.58 O ATOM 595 CB LEU A 39 9.165 -4.041 0.661 1.00 1.20 C ATOM 596 CG LEU A 39 10.095 -3.417 -0.383 1.00 1.15 C ATOM 597 CD1 LEU A 39 9.446 -2.196 -1.035 1.00 1.34 C ATOM 598 CD2 LEU A 39 11.458 -3.084 0.228 1.00 1.27 C ATOM 0 H LEU A 39 9.022 -6.226 -0.529 1.00 0.97 H new ATOM 0 HA LEU A 39 10.661 -5.182 1.605 1.00 1.11 H new ATOM 0 HB2 LEU A 39 8.192 -4.207 0.199 1.00 1.20 H new ATOM 0 HB3 LEU A 39 9.017 -3.320 1.465 1.00 1.20 H new ATOM 0 HG LEU A 39 10.265 -4.150 -1.171 1.00 1.15 H new ATOM 0 HD11 LEU A 39 10.128 -1.772 -1.772 1.00 1.34 H new ATOM 0 HD12 LEU A 39 8.520 -2.495 -1.526 1.00 1.34 H new ATOM 0 HD13 LEU A 39 9.227 -1.449 -0.272 1.00 1.34 H new ATOM 0 HD21 LEU A 39 12.100 -2.642 -0.534 1.00 1.27 H new ATOM 0 HD22 LEU A 39 11.327 -2.377 1.047 1.00 1.27 H new ATOM 0 HD23 LEU A 39 11.919 -3.996 0.607 1.00 1.27 H new ATOM 610 N SER A 40 7.978 -6.770 2.311 1.00 1.19 N ATOM 611 CA SER A 40 7.162 -7.284 3.397 1.00 1.38 C ATOM 612 C SER A 40 8.054 -7.723 4.560 1.00 1.81 C ATOM 613 O SER A 40 7.875 -7.272 5.690 1.00 2.36 O ATOM 614 CB SER A 40 6.291 -8.451 2.928 1.00 1.24 C ATOM 615 OG SER A 40 5.232 -8.018 2.077 1.00 2.29 O ATOM 0 H SER A 40 7.829 -7.228 1.412 1.00 1.19 H new ATOM 0 HA SER A 40 6.501 -6.485 3.735 1.00 1.38 H new ATOM 0 HB2 SER A 40 6.910 -9.175 2.398 1.00 1.24 H new ATOM 0 HB3 SER A 40 5.873 -8.963 3.795 1.00 1.24 H new ATOM 0 HG SER A 40 5.592 -7.433 1.379 1.00 2.29 H new ATOM 621 N THR A 41 8.998 -8.599 4.243 1.00 1.72 N ATOM 622 CA THR A 41 9.923 -9.096 5.246 1.00 2.26 C ATOM 623 C THR A 41 11.246 -8.330 5.178 1.00 2.53 C ATOM 624 O THR A 41 12.082 -8.447 6.072 1.00 3.47 O ATOM 625 CB THR A 41 10.082 -10.604 5.035 1.00 2.39 C ATOM 626 OG1 THR A 41 10.771 -11.046 6.201 1.00 3.25 O ATOM 627 CG2 THR A 41 11.039 -10.937 3.889 1.00 2.41 C ATOM 0 H THR A 41 9.141 -8.976 3.306 1.00 1.72 H new ATOM 0 HA THR A 41 9.541 -8.932 6.253 1.00 2.26 H new ATOM 0 HB THR A 41 9.107 -11.047 4.834 1.00 2.39 H new ATOM 0 HG1 THR A 41 11.294 -10.305 6.573 1.00 3.25 H new ATOM 0 HG21 THR A 41 11.116 -12.019 3.782 1.00 2.41 H new ATOM 0 HG22 THR A 41 10.660 -10.507 2.962 1.00 2.41 H new ATOM 0 HG23 THR A 41 12.024 -10.523 4.105 1.00 2.41 H new ATOM 635 N GLY A 42 11.394 -7.563 4.108 1.00 1.97 N ATOM 636 CA GLY A 42 12.534 -6.671 3.979 1.00 2.38 C ATOM 637 C GLY A 42 13.774 -7.430 3.503 1.00 2.13 C ATOM 638 O GLY A 42 14.899 -6.982 3.716 1.00 2.57 O ATOM 0 H GLY A 42 10.744 -7.541 3.322 1.00 1.97 H new ATOM 0 HA2 GLY A 42 12.298 -5.874 3.274 1.00 2.38 H new ATOM 0 HA3 GLY A 42 12.740 -6.197 4.939 1.00 2.38 H new ATOM 642 N GLU A 43 13.525 -8.566 2.867 1.00 2.35 N ATOM 643 CA GLU A 43 14.604 -9.355 2.297 1.00 2.88 C ATOM 644 C GLU A 43 15.233 -8.617 1.112 1.00 3.16 C ATOM 645 O GLU A 43 14.949 -8.934 -0.041 1.00 4.47 O ATOM 646 CB GLU A 43 14.107 -10.740 1.879 1.00 3.64 C ATOM 647 CG GLU A 43 12.956 -10.631 0.876 1.00 5.03 C ATOM 648 CD GLU A 43 13.229 -11.479 -0.367 1.00 6.27 C ATOM 649 OE1 GLU A 43 13.496 -12.686 -0.184 1.00 6.55 O ATOM 650 OE2 GLU A 43 13.164 -10.901 -1.474 1.00 7.43 O ATOM 0 H GLU A 43 12.593 -8.958 2.734 1.00 2.35 H new ATOM 0 HA GLU A 43 15.369 -9.494 3.060 1.00 2.88 H new ATOM 0 HB2 GLU A 43 14.927 -11.306 1.437 1.00 3.64 H new ATOM 0 HB3 GLU A 43 13.776 -11.292 2.759 1.00 3.64 H new ATOM 0 HG2 GLU A 43 12.028 -10.956 1.346 1.00 5.03 H new ATOM 0 HG3 GLU A 43 12.819 -9.589 0.587 1.00 5.03 H new ATOM 657 N LYS A 44 16.074 -7.648 1.440 1.00 2.53 N ATOM 658 CA LYS A 44 16.640 -6.775 0.426 1.00 2.84 C ATOM 659 C LYS A 44 17.616 -5.798 1.087 1.00 2.68 C ATOM 660 O LYS A 44 18.689 -5.528 0.548 1.00 3.01 O ATOM 661 CB LYS A 44 15.529 -6.088 -0.370 1.00 3.51 C ATOM 662 CG LYS A 44 15.604 -6.464 -1.851 1.00 3.73 C ATOM 663 CD LYS A 44 16.781 -5.764 -2.535 1.00 3.64 C ATOM 664 CE LYS A 44 16.721 -5.949 -4.054 1.00 3.35 C ATOM 665 NZ LYS A 44 17.698 -5.062 -4.722 1.00 4.38 N ATOM 0 H LYS A 44 16.377 -7.448 2.393 1.00 2.53 H new ATOM 0 HA LYS A 44 17.210 -7.355 -0.300 1.00 2.84 H new ATOM 0 HB2 LYS A 44 14.557 -6.374 0.033 1.00 3.51 H new ATOM 0 HB3 LYS A 44 15.613 -5.007 -0.261 1.00 3.51 H new ATOM 0 HG2 LYS A 44 15.711 -7.544 -1.951 1.00 3.73 H new ATOM 0 HG3 LYS A 44 14.674 -6.188 -2.348 1.00 3.73 H new ATOM 0 HD2 LYS A 44 16.767 -4.701 -2.294 1.00 3.64 H new ATOM 0 HD3 LYS A 44 17.720 -6.165 -2.153 1.00 3.64 H new ATOM 0 HE2 LYS A 44 16.931 -6.988 -4.308 1.00 3.35 H new ATOM 0 HE3 LYS A 44 15.716 -5.729 -4.414 1.00 3.35 H new ATOM 0 HZ1 LYS A 44 17.192 -4.351 -5.287 1.00 4.38 H new ATOM 0 HZ2 LYS A 44 18.280 -4.584 -4.005 1.00 4.38 H new ATOM 0 HZ3 LYS A 44 18.311 -5.627 -5.344 1.00 4.38 H new ATOM 679 N GLY A 45 17.210 -5.297 2.245 1.00 2.69 N ATOM 680 CA GLY A 45 18.007 -4.313 2.955 1.00 3.28 C ATOM 681 C GLY A 45 17.130 -3.448 3.862 1.00 3.20 C ATOM 682 O GLY A 45 17.574 -3.005 4.921 1.00 4.08 O ATOM 0 H GLY A 45 16.339 -5.555 2.709 1.00 2.69 H new ATOM 0 HA2 GLY A 45 18.767 -4.817 3.552 1.00 3.28 H new ATOM 0 HA3 GLY A 45 18.532 -3.680 2.239 1.00 3.28 H new ATOM 686 N PHE A 46 15.902 -3.235 3.416 1.00 2.56 N ATOM 687 CA PHE A 46 14.936 -2.492 4.207 1.00 2.48 C ATOM 688 C PHE A 46 13.511 -2.971 3.926 1.00 2.13 C ATOM 689 O PHE A 46 13.289 -3.767 3.014 1.00 2.12 O ATOM 690 CB PHE A 46 15.057 -1.022 3.796 1.00 2.62 C ATOM 691 CG PHE A 46 15.142 -0.805 2.284 1.00 2.50 C ATOM 692 CD1 PHE A 46 16.352 -0.799 1.664 1.00 3.33 C ATOM 693 CD2 PHE A 46 14.005 -0.617 1.560 1.00 2.98 C ATOM 694 CE1 PHE A 46 16.430 -0.596 0.261 1.00 3.48 C ATOM 695 CE2 PHE A 46 14.083 -0.415 0.156 1.00 3.07 C ATOM 696 CZ PHE A 46 15.294 -0.408 -0.463 1.00 2.78 C ATOM 0 H PHE A 46 15.553 -3.564 2.516 1.00 2.56 H new ATOM 0 HA PHE A 46 15.136 -2.636 5.269 1.00 2.48 H new ATOM 0 HB2 PHE A 46 14.198 -0.475 4.184 1.00 2.62 H new ATOM 0 HB3 PHE A 46 15.944 -0.596 4.265 1.00 2.62 H new ATOM 0 HD1 PHE A 46 17.254 -0.949 2.239 1.00 3.33 H new ATOM 0 HD2 PHE A 46 13.044 -0.621 2.053 1.00 2.98 H new ATOM 0 HE1 PHE A 46 17.391 -0.591 -0.231 1.00 3.48 H new ATOM 0 HE2 PHE A 46 13.181 -0.267 -0.420 1.00 3.07 H new ATOM 0 HZ PHE A 46 15.354 -0.253 -1.530 1.00 2.78 H new ATOM 706 N GLY A 47 12.583 -2.468 4.726 1.00 2.01 N ATOM 707 CA GLY A 47 11.194 -2.882 4.614 1.00 1.78 C ATOM 708 C GLY A 47 10.294 -2.032 5.513 1.00 1.98 C ATOM 709 O GLY A 47 10.737 -1.026 6.067 1.00 3.06 O ATOM 0 H GLY A 47 12.765 -1.778 5.454 1.00 2.01 H new ATOM 0 HA2 GLY A 47 10.867 -2.793 3.578 1.00 1.78 H new ATOM 0 HA3 GLY A 47 11.101 -3.933 4.889 1.00 1.78 H new ATOM 713 N TYR A 48 9.048 -2.466 5.631 1.00 1.33 N ATOM 714 CA TYR A 48 8.067 -1.727 6.407 1.00 1.63 C ATOM 715 C TYR A 48 8.064 -2.184 7.867 1.00 1.20 C ATOM 716 O TYR A 48 7.094 -2.779 8.332 1.00 1.81 O ATOM 717 CB TYR A 48 6.708 -2.046 5.782 1.00 2.16 C ATOM 718 CG TYR A 48 6.366 -1.186 4.564 1.00 3.37 C ATOM 719 CD1 TYR A 48 7.263 -1.078 3.520 1.00 4.23 C ATOM 720 CD2 TYR A 48 5.159 -0.518 4.508 1.00 4.48 C ATOM 721 CE1 TYR A 48 6.940 -0.269 2.374 1.00 5.51 C ATOM 722 CE2 TYR A 48 4.836 0.291 3.361 1.00 5.75 C ATOM 723 CZ TYR A 48 5.744 0.376 2.351 1.00 5.98 C ATOM 724 OH TYR A 48 5.439 1.140 1.268 1.00 7.32 O ATOM 0 H TYR A 48 8.695 -3.321 5.202 1.00 1.33 H new ATOM 0 HA TYR A 48 8.293 -0.661 6.395 1.00 1.63 H new ATOM 0 HB2 TYR A 48 6.692 -3.096 5.489 1.00 2.16 H new ATOM 0 HB3 TYR A 48 5.933 -1.914 6.537 1.00 2.16 H new ATOM 0 HD1 TYR A 48 8.207 -1.601 3.563 1.00 4.23 H new ATOM 0 HD2 TYR A 48 4.457 -0.602 5.324 1.00 4.48 H new ATOM 0 HE1 TYR A 48 7.633 -0.177 1.551 1.00 5.51 H new ATOM 0 HE2 TYR A 48 3.895 0.818 3.304 1.00 5.75 H new ATOM 0 HH TYR A 48 4.684 0.741 0.788 1.00 7.32 H new ATOM 734 N LYS A 49 9.162 -1.890 8.548 1.00 1.26 N ATOM 735 CA LYS A 49 9.273 -2.207 9.961 1.00 1.15 C ATOM 736 C LYS A 49 9.946 -1.042 10.690 1.00 1.47 C ATOM 737 O LYS A 49 10.827 -1.251 11.523 1.00 1.79 O ATOM 738 CB LYS A 49 9.986 -3.547 10.155 1.00 1.14 C ATOM 739 CG LYS A 49 9.737 -4.103 11.560 1.00 1.42 C ATOM 740 CD LYS A 49 8.298 -4.603 11.704 1.00 2.00 C ATOM 741 CE LYS A 49 7.497 -3.702 12.645 1.00 2.89 C ATOM 742 NZ LYS A 49 7.731 -4.087 14.054 1.00 3.25 N ATOM 0 H LYS A 49 9.982 -1.436 8.147 1.00 1.26 H new ATOM 0 HA LYS A 49 8.284 -2.331 10.402 1.00 1.15 H new ATOM 0 HB2 LYS A 49 9.635 -4.261 9.410 1.00 1.14 H new ATOM 0 HB3 LYS A 49 11.057 -3.420 9.995 1.00 1.14 H new ATOM 0 HG2 LYS A 49 10.431 -4.919 11.760 1.00 1.42 H new ATOM 0 HG3 LYS A 49 9.933 -3.329 12.302 1.00 1.42 H new ATOM 0 HD2 LYS A 49 7.819 -4.630 10.725 1.00 2.00 H new ATOM 0 HD3 LYS A 49 8.300 -5.624 12.086 1.00 2.00 H new ATOM 0 HE2 LYS A 49 7.784 -2.661 12.494 1.00 2.89 H new ATOM 0 HE3 LYS A 49 6.435 -3.777 12.413 1.00 2.89 H new ATOM 0 HZ1 LYS A 49 7.589 -3.260 14.668 1.00 3.25 H new ATOM 0 HZ2 LYS A 49 7.064 -4.838 14.324 1.00 3.25 H new ATOM 0 HZ3 LYS A 49 8.705 -4.434 14.162 1.00 3.25 H new ATOM 756 N GLY A 50 9.506 0.161 10.348 1.00 1.93 N ATOM 757 CA GLY A 50 10.078 1.361 10.935 1.00 2.36 C ATOM 758 C GLY A 50 9.366 2.614 10.424 1.00 2.27 C ATOM 759 O GLY A 50 10.012 3.574 10.008 1.00 3.25 O ATOM 0 H GLY A 50 8.761 0.330 9.672 1.00 1.93 H new ATOM 0 HA2 GLY A 50 10.000 1.312 12.021 1.00 2.36 H new ATOM 0 HA3 GLY A 50 11.139 1.418 10.694 1.00 2.36 H new ATOM 763 N SER A 51 8.042 2.565 10.470 1.00 1.83 N ATOM 764 CA SER A 51 7.235 3.695 10.043 1.00 2.37 C ATOM 765 C SER A 51 5.874 3.659 10.741 1.00 1.89 C ATOM 766 O SER A 51 5.496 2.643 11.322 1.00 2.47 O ATOM 767 CB SER A 51 7.053 3.699 8.524 1.00 3.39 C ATOM 768 OG SER A 51 6.507 2.472 8.048 1.00 3.99 O ATOM 0 H SER A 51 7.508 1.760 10.797 1.00 1.83 H new ATOM 0 HA SER A 51 7.755 4.612 10.322 1.00 2.37 H new ATOM 0 HB2 SER A 51 6.397 4.522 8.240 1.00 3.39 H new ATOM 0 HB3 SER A 51 8.015 3.878 8.044 1.00 3.39 H new ATOM 0 HG SER A 51 7.152 2.036 7.453 1.00 3.99 H new ATOM 774 N CYS A 52 5.173 4.781 10.660 1.00 1.99 N ATOM 775 CA CYS A 52 3.896 4.916 11.338 1.00 2.26 C ATOM 776 C CYS A 52 2.958 5.723 10.438 1.00 2.33 C ATOM 777 O CYS A 52 3.276 6.846 10.051 1.00 3.45 O ATOM 778 CB CYS A 52 4.053 5.558 12.718 1.00 3.38 C ATOM 779 SG CYS A 52 5.089 7.062 12.595 1.00 4.44 S ATOM 0 H CYS A 52 5.466 5.605 10.135 1.00 1.99 H new ATOM 0 HA CYS A 52 3.469 3.929 11.515 1.00 2.26 H new ATOM 0 HB2 CYS A 52 3.074 5.813 13.123 1.00 3.38 H new ATOM 0 HB3 CYS A 52 4.508 4.848 13.409 1.00 3.38 H new ATOM 0 HG CYS A 52 4.326 8.103 12.439 1.00 4.44 H new ATOM 785 N PHE A 53 1.819 5.117 10.130 1.00 2.12 N ATOM 786 CA PHE A 53 0.859 5.739 9.234 1.00 2.25 C ATOM 787 C PHE A 53 1.566 6.391 8.043 1.00 1.59 C ATOM 788 O PHE A 53 2.770 6.223 7.862 1.00 2.01 O ATOM 789 CB PHE A 53 0.133 6.820 10.035 1.00 3.03 C ATOM 790 CG PHE A 53 1.047 7.932 10.553 1.00 4.42 C ATOM 791 CD1 PHE A 53 1.409 8.953 9.730 1.00 5.22 C ATOM 792 CD2 PHE A 53 1.501 7.899 11.834 1.00 5.78 C ATOM 793 CE1 PHE A 53 2.257 9.986 10.210 1.00 7.17 C ATOM 794 CE2 PHE A 53 2.349 8.931 12.314 1.00 7.48 C ATOM 795 CZ PHE A 53 2.710 9.952 11.492 1.00 8.07 C ATOM 0 H PHE A 53 1.540 4.202 10.485 1.00 2.12 H new ATOM 0 HA PHE A 53 0.169 4.988 8.848 1.00 2.25 H new ATOM 0 HB2 PHE A 53 -0.641 7.263 9.409 1.00 3.03 H new ATOM 0 HB3 PHE A 53 -0.370 6.354 10.882 1.00 3.03 H new ATOM 0 HD1 PHE A 53 1.051 8.978 8.711 1.00 5.22 H new ATOM 0 HD2 PHE A 53 1.216 7.087 12.487 1.00 5.78 H new ATOM 0 HE1 PHE A 53 2.542 10.798 9.558 1.00 7.17 H new ATOM 0 HE2 PHE A 53 2.708 8.905 13.332 1.00 7.48 H new ATOM 0 HZ PHE A 53 3.357 10.736 11.857 1.00 8.07 H new ATOM 805 N HIS A 54 0.784 7.121 7.261 1.00 1.77 N ATOM 806 CA HIS A 54 1.322 7.814 6.103 1.00 1.57 C ATOM 807 C HIS A 54 0.288 8.810 5.573 1.00 1.26 C ATOM 808 O HIS A 54 0.555 10.008 5.501 1.00 1.69 O ATOM 809 CB HIS A 54 1.784 6.817 5.037 1.00 2.35 C ATOM 810 CG HIS A 54 2.001 7.430 3.675 1.00 1.93 C ATOM 811 ND1 HIS A 54 3.257 7.733 3.181 1.00 1.93 N ATOM 812 CD2 HIS A 54 1.109 7.791 2.708 1.00 3.31 C ATOM 813 CE1 HIS A 54 3.116 8.253 1.971 1.00 2.33 C ATOM 814 NE2 HIS A 54 1.784 8.289 1.679 1.00 3.47 N ATOM 0 H HIS A 54 -0.218 7.247 7.407 1.00 1.77 H new ATOM 0 HA HIS A 54 2.206 8.381 6.395 1.00 1.57 H new ATOM 0 HB2 HIS A 54 2.713 6.353 5.367 1.00 2.35 H new ATOM 0 HB3 HIS A 54 1.043 6.022 4.952 1.00 2.35 H new ATOM 0 HD1 HIS A 54 4.141 7.582 3.666 1.00 1.93 H new ATOM 0 HD2 HIS A 54 0.036 7.689 2.769 1.00 3.31 H new ATOM 0 HE1 HIS A 54 3.916 8.590 1.328 1.00 2.33 H new ATOM 822 N ARG A 55 -0.871 8.275 5.216 1.00 1.11 N ATOM 823 CA ARG A 55 -1.983 9.112 4.798 1.00 1.08 C ATOM 824 C ARG A 55 -3.257 8.275 4.663 1.00 0.98 C ATOM 825 O ARG A 55 -3.325 7.374 3.828 1.00 1.14 O ATOM 826 CB ARG A 55 -1.686 9.795 3.461 1.00 1.43 C ATOM 827 CG ARG A 55 -2.696 10.910 3.179 1.00 1.40 C ATOM 828 CD ARG A 55 -2.171 11.867 2.107 1.00 1.21 C ATOM 829 NE ARG A 55 -3.150 12.951 1.873 1.00 2.06 N ATOM 830 CZ ARG A 55 -3.409 13.932 2.749 1.00 3.30 C ATOM 831 NH1 ARG A 55 -2.673 14.047 3.862 1.00 3.72 N ATOM 832 NH2 ARG A 55 -4.406 14.795 2.511 1.00 4.79 N ATOM 0 H ARG A 55 -1.064 7.273 5.208 1.00 1.11 H new ATOM 0 HA ARG A 55 -2.126 9.877 5.561 1.00 1.08 H new ATOM 0 HB2 ARG A 55 -0.677 10.208 3.476 1.00 1.43 H new ATOM 0 HB3 ARG A 55 -1.717 9.059 2.658 1.00 1.43 H new ATOM 0 HG2 ARG A 55 -3.641 10.476 2.853 1.00 1.40 H new ATOM 0 HG3 ARG A 55 -2.899 11.462 4.097 1.00 1.40 H new ATOM 0 HD2 ARG A 55 -1.216 12.289 2.421 1.00 1.21 H new ATOM 0 HD3 ARG A 55 -1.989 11.323 1.180 1.00 1.21 H new ATOM 0 HE ARG A 55 -3.660 12.952 0.990 1.00 2.06 H new ATOM 0 HH11 ARG A 55 -1.916 13.388 4.043 1.00 3.72 H new ATOM 0 HH12 ARG A 55 -2.870 14.793 4.529 1.00 3.72 H new ATOM 0 HH21 ARG A 55 -4.967 14.705 1.664 1.00 4.79 H new ATOM 0 HH22 ARG A 55 -4.604 15.542 3.177 1.00 4.79 H new ATOM 846 N ILE A 56 -4.233 8.602 5.498 1.00 0.92 N ATOM 847 CA ILE A 56 -5.500 7.892 5.481 1.00 0.89 C ATOM 848 C ILE A 56 -6.643 8.902 5.358 1.00 0.79 C ATOM 849 O ILE A 56 -6.893 9.677 6.279 1.00 1.00 O ATOM 850 CB ILE A 56 -5.618 6.975 6.700 1.00 1.05 C ATOM 851 CG1 ILE A 56 -4.370 6.103 6.853 1.00 0.97 C ATOM 852 CG2 ILE A 56 -6.897 6.139 6.636 1.00 1.29 C ATOM 853 CD1 ILE A 56 -4.638 4.924 7.791 1.00 1.45 C ATOM 0 H ILE A 56 -4.171 9.349 6.190 1.00 0.92 H new ATOM 0 HA ILE A 56 -5.558 7.236 4.612 1.00 0.89 H new ATOM 0 HB ILE A 56 -5.686 7.599 7.591 1.00 1.05 H new ATOM 0 HG12 ILE A 56 -4.059 5.732 5.876 1.00 0.97 H new ATOM 0 HG13 ILE A 56 -3.548 6.703 7.243 1.00 0.97 H new ATOM 0 HG21 ILE A 56 -6.956 5.496 7.514 1.00 1.29 H new ATOM 0 HG22 ILE A 56 -7.763 6.800 6.612 1.00 1.29 H new ATOM 0 HG23 ILE A 56 -6.885 5.524 5.736 1.00 1.29 H new ATOM 0 HD11 ILE A 56 -3.735 4.320 7.883 1.00 1.45 H new ATOM 0 HD12 ILE A 56 -4.925 5.299 8.773 1.00 1.45 H new ATOM 0 HD13 ILE A 56 -5.444 4.313 7.386 1.00 1.45 H new ATOM 865 N ILE A 57 -7.306 8.860 4.211 1.00 0.74 N ATOM 866 CA ILE A 57 -8.439 9.737 3.969 1.00 0.72 C ATOM 867 C ILE A 57 -9.735 8.934 4.084 1.00 0.72 C ATOM 868 O ILE A 57 -9.853 7.854 3.506 1.00 0.70 O ATOM 869 CB ILE A 57 -8.279 10.460 2.630 1.00 0.76 C ATOM 870 CG1 ILE A 57 -7.168 11.509 2.702 1.00 0.86 C ATOM 871 CG2 ILE A 57 -9.609 11.066 2.173 1.00 0.81 C ATOM 872 CD1 ILE A 57 -6.646 11.850 1.305 1.00 1.03 C ATOM 0 H ILE A 57 -7.080 8.232 3.439 1.00 0.74 H new ATOM 0 HA ILE A 57 -8.483 10.521 4.725 1.00 0.72 H new ATOM 0 HB ILE A 57 -7.982 9.727 1.880 1.00 0.76 H new ATOM 0 HG12 ILE A 57 -7.545 12.411 3.184 1.00 0.86 H new ATOM 0 HG13 ILE A 57 -6.350 11.136 3.319 1.00 0.86 H new ATOM 0 HG21 ILE A 57 -9.469 11.574 1.219 1.00 0.81 H new ATOM 0 HG22 ILE A 57 -10.349 10.274 2.057 1.00 0.81 H new ATOM 0 HG23 ILE A 57 -9.958 11.782 2.918 1.00 0.81 H new ATOM 0 HD11 ILE A 57 -5.857 12.598 1.384 1.00 1.03 H new ATOM 0 HD12 ILE A 57 -6.248 10.950 0.836 1.00 1.03 H new ATOM 0 HD13 ILE A 57 -7.461 12.245 0.698 1.00 1.03 H new ATOM 884 N PRO A 58 -10.700 9.504 4.854 1.00 0.83 N ATOM 885 CA PRO A 58 -11.994 8.866 5.028 1.00 0.97 C ATOM 886 C PRO A 58 -12.855 9.020 3.772 1.00 1.02 C ATOM 887 O PRO A 58 -13.367 10.105 3.496 1.00 1.06 O ATOM 888 CB PRO A 58 -12.600 9.535 6.250 1.00 1.12 C ATOM 889 CG PRO A 58 -11.836 10.835 6.437 1.00 1.09 C ATOM 890 CD PRO A 58 -10.586 10.768 5.575 1.00 0.91 C ATOM 0 HA PRO A 58 -11.916 7.789 5.177 1.00 0.97 H new ATOM 0 HB2 PRO A 58 -13.663 9.725 6.104 1.00 1.12 H new ATOM 0 HB3 PRO A 58 -12.508 8.898 7.130 1.00 1.12 H new ATOM 0 HG2 PRO A 58 -12.454 11.686 6.149 1.00 1.09 H new ATOM 0 HG3 PRO A 58 -11.570 10.974 7.485 1.00 1.09 H new ATOM 0 HD2 PRO A 58 -10.533 11.612 4.888 1.00 0.91 H new ATOM 0 HD3 PRO A 58 -9.683 10.796 6.184 1.00 0.91 H new ATOM 898 N GLY A 59 -12.988 7.920 3.046 1.00 1.10 N ATOM 899 CA GLY A 59 -13.863 7.890 1.886 1.00 1.17 C ATOM 900 C GLY A 59 -13.078 8.156 0.600 1.00 1.13 C ATOM 901 O GLY A 59 -13.513 8.932 -0.249 1.00 1.25 O ATOM 0 H GLY A 59 -12.505 7.043 3.238 1.00 1.10 H new ATOM 0 HA2 GLY A 59 -14.355 6.919 1.822 1.00 1.17 H new ATOM 0 HA3 GLY A 59 -14.648 8.638 1.999 1.00 1.17 H new ATOM 905 N PHE A 60 -11.933 7.497 0.498 1.00 1.01 N ATOM 906 CA PHE A 60 -11.149 7.543 -0.725 1.00 0.97 C ATOM 907 C PHE A 60 -10.193 6.352 -0.810 1.00 0.92 C ATOM 908 O PHE A 60 -10.310 5.521 -1.708 1.00 0.97 O ATOM 909 CB PHE A 60 -10.332 8.836 -0.683 1.00 0.97 C ATOM 910 CG PHE A 60 -9.335 8.979 -1.834 1.00 0.91 C ATOM 911 CD1 PHE A 60 -9.651 8.510 -3.071 1.00 2.00 C ATOM 912 CD2 PHE A 60 -8.131 9.576 -1.621 1.00 1.69 C ATOM 913 CE1 PHE A 60 -8.725 8.643 -4.138 1.00 2.00 C ATOM 914 CE2 PHE A 60 -7.206 9.709 -2.689 1.00 1.69 C ATOM 915 CZ PHE A 60 -7.522 9.240 -3.925 1.00 0.92 C ATOM 0 H PHE A 60 -11.529 6.928 1.242 1.00 1.01 H new ATOM 0 HA PHE A 60 -11.809 7.506 -1.592 1.00 0.97 H new ATOM 0 HB2 PHE A 60 -11.015 9.686 -0.699 1.00 0.97 H new ATOM 0 HB3 PHE A 60 -9.790 8.881 0.262 1.00 0.97 H new ATOM 0 HD1 PHE A 60 -10.607 8.036 -3.241 1.00 2.00 H new ATOM 0 HD2 PHE A 60 -7.879 9.949 -0.639 1.00 1.69 H new ATOM 0 HE1 PHE A 60 -8.976 8.270 -5.120 1.00 2.00 H new ATOM 0 HE2 PHE A 60 -6.251 10.183 -2.520 1.00 1.69 H new ATOM 0 HZ PHE A 60 -6.818 9.341 -4.738 1.00 0.92 H new ATOM 925 N MET A 61 -9.270 6.307 0.139 1.00 0.85 N ATOM 926 CA MET A 61 -8.335 5.198 0.221 1.00 0.79 C ATOM 927 C MET A 61 -7.690 5.126 1.607 1.00 0.81 C ATOM 928 O MET A 61 -7.685 6.110 2.345 1.00 0.76 O ATOM 929 CB MET A 61 -7.246 5.367 -0.840 1.00 0.70 C ATOM 930 CG MET A 61 -6.015 6.065 -0.257 1.00 0.95 C ATOM 931 SD MET A 61 -6.439 7.719 0.261 1.00 1.45 S ATOM 932 CE MET A 61 -5.166 7.998 1.479 1.00 1.10 C ATOM 0 H MET A 61 -9.150 7.021 0.858 1.00 0.85 H new ATOM 0 HA MET A 61 -8.883 4.272 0.047 1.00 0.79 H new ATOM 0 HB2 MET A 61 -6.962 4.391 -1.234 1.00 0.70 H new ATOM 0 HB3 MET A 61 -7.635 5.947 -1.676 1.00 0.70 H new ATOM 0 HG2 MET A 61 -5.632 5.497 0.591 1.00 0.95 H new ATOM 0 HG3 MET A 61 -5.220 6.101 -1.002 1.00 0.95 H new ATOM 0 HE1 MET A 61 -5.240 9.018 1.855 1.00 1.10 H new ATOM 0 HE2 MET A 61 -5.292 7.297 2.304 1.00 1.10 H new ATOM 0 HE3 MET A 61 -4.187 7.850 1.023 1.00 1.10 H new ATOM 942 N CYS A 62 -7.161 3.951 1.918 1.00 1.06 N ATOM 943 CA CYS A 62 -6.648 3.692 3.252 1.00 1.49 C ATOM 944 C CYS A 62 -5.376 2.852 3.122 1.00 1.84 C ATOM 945 O CYS A 62 -5.295 1.969 2.270 1.00 1.92 O ATOM 946 CB CYS A 62 -7.693 3.011 4.139 1.00 2.05 C ATOM 947 SG CYS A 62 -9.119 4.129 4.394 1.00 3.57 S ATOM 0 H CYS A 62 -7.077 3.169 1.269 1.00 1.06 H new ATOM 0 HA CYS A 62 -6.411 4.636 3.743 1.00 1.49 H new ATOM 0 HB2 CYS A 62 -8.026 2.082 3.676 1.00 2.05 H new ATOM 0 HB3 CYS A 62 -7.251 2.747 5.100 1.00 2.05 H new ATOM 0 HG CYS A 62 -8.876 5.277 3.833 1.00 3.57 H new ATOM 953 N GLN A 63 -4.413 3.156 3.981 1.00 2.35 N ATOM 954 CA GLN A 63 -3.177 2.394 4.019 1.00 3.02 C ATOM 955 C GLN A 63 -2.342 2.797 5.237 1.00 3.09 C ATOM 956 O GLN A 63 -2.866 2.900 6.346 1.00 3.77 O ATOM 957 CB GLN A 63 -2.380 2.575 2.725 1.00 3.35 C ATOM 958 CG GLN A 63 -1.437 1.393 2.492 1.00 4.70 C ATOM 959 CD GLN A 63 -2.218 0.082 2.376 1.00 6.50 C ATOM 960 OE1 GLN A 63 -2.824 -0.222 1.363 1.00 7.32 O ATOM 961 NE2 GLN A 63 -2.170 -0.674 3.470 1.00 7.57 N ATOM 0 H GLN A 63 -4.464 3.919 4.655 1.00 2.35 H new ATOM 0 HA GLN A 63 -3.428 1.337 4.108 1.00 3.02 H new ATOM 0 HB2 GLN A 63 -3.065 2.670 1.882 1.00 3.35 H new ATOM 0 HB3 GLN A 63 -1.805 3.500 2.774 1.00 3.35 H new ATOM 0 HG2 GLN A 63 -0.859 1.558 1.582 1.00 4.70 H new ATOM 0 HG3 GLN A 63 -0.724 1.324 3.314 1.00 4.70 H new ATOM 0 HE21 GLN A 63 -1.643 -0.359 4.285 1.00 7.57 H new ATOM 0 HE22 GLN A 63 -2.660 -1.568 3.494 1.00 7.57 H new ATOM 970 N GLY A 64 -1.059 3.014 4.990 1.00 2.64 N ATOM 971 CA GLY A 64 -0.126 3.293 6.069 1.00 3.00 C ATOM 972 C GLY A 64 1.189 2.538 5.864 1.00 3.23 C ATOM 973 O GLY A 64 1.233 1.542 5.143 1.00 3.61 O ATOM 0 H GLY A 64 -0.643 3.002 4.059 1.00 2.64 H new ATOM 0 HA2 GLY A 64 0.069 4.364 6.118 1.00 3.00 H new ATOM 0 HA3 GLY A 64 -0.570 3.006 7.022 1.00 3.00 H new ATOM 977 N GLY A 65 2.230 3.041 6.512 1.00 3.56 N ATOM 978 CA GLY A 65 3.548 2.442 6.391 1.00 3.91 C ATOM 979 C GLY A 65 4.279 2.969 5.155 1.00 3.07 C ATOM 980 O GLY A 65 3.680 3.114 4.090 1.00 3.49 O ATOM 0 H GLY A 65 2.187 3.857 7.123 1.00 3.56 H new ATOM 0 HA2 GLY A 65 4.133 2.660 7.284 1.00 3.91 H new ATOM 0 HA3 GLY A 65 3.454 1.358 6.328 1.00 3.91 H new ATOM 984 N ASP A 66 5.562 3.243 5.338 1.00 2.82 N ATOM 985 CA ASP A 66 6.355 3.853 4.285 1.00 2.55 C ATOM 986 C ASP A 66 7.769 4.119 4.805 1.00 1.93 C ATOM 987 O ASP A 66 7.990 5.070 5.552 1.00 2.41 O ATOM 988 CB ASP A 66 5.753 5.190 3.848 1.00 3.26 C ATOM 989 CG ASP A 66 5.530 6.199 4.976 1.00 4.43 C ATOM 990 OD1 ASP A 66 5.195 5.740 6.089 1.00 5.47 O ATOM 991 OD2 ASP A 66 5.699 7.406 4.700 1.00 5.06 O ATOM 0 H ASP A 66 6.072 3.054 6.201 1.00 2.82 H new ATOM 0 HA ASP A 66 6.372 3.169 3.436 1.00 2.55 H new ATOM 0 HB2 ASP A 66 6.409 5.640 3.103 1.00 3.26 H new ATOM 0 HB3 ASP A 66 4.798 4.999 3.358 1.00 3.26 H new ATOM 996 N PHE A 67 8.689 3.262 4.389 1.00 2.12 N ATOM 997 CA PHE A 67 10.100 3.496 4.644 1.00 1.81 C ATOM 998 C PHE A 67 10.632 4.639 3.778 1.00 2.19 C ATOM 999 O PHE A 67 11.282 4.402 2.761 1.00 3.17 O ATOM 1000 CB PHE A 67 10.841 2.208 4.277 1.00 2.28 C ATOM 1001 CG PHE A 67 12.362 2.307 4.406 1.00 2.68 C ATOM 1002 CD1 PHE A 67 12.933 2.445 5.632 1.00 3.89 C ATOM 1003 CD2 PHE A 67 13.144 2.256 3.294 1.00 3.34 C ATOM 1004 CE1 PHE A 67 14.345 2.537 5.752 1.00 5.27 C ATOM 1005 CE2 PHE A 67 14.556 2.348 3.414 1.00 4.66 C ATOM 1006 CZ PHE A 67 15.127 2.486 4.640 1.00 5.47 C ATOM 0 H PHE A 67 8.485 2.404 3.877 1.00 2.12 H new ATOM 0 HA PHE A 67 10.248 3.768 5.689 1.00 1.81 H new ATOM 0 HB2 PHE A 67 10.484 1.401 4.917 1.00 2.28 H new ATOM 0 HB3 PHE A 67 10.591 1.936 3.252 1.00 2.28 H new ATOM 0 HD1 PHE A 67 12.313 2.485 6.515 1.00 3.89 H new ATOM 0 HD2 PHE A 67 12.691 2.146 2.320 1.00 3.34 H new ATOM 0 HE1 PHE A 67 14.798 2.647 6.726 1.00 5.27 H new ATOM 0 HE2 PHE A 67 15.176 2.308 2.531 1.00 4.66 H new ATOM 0 HZ PHE A 67 16.201 2.555 4.731 1.00 5.47 H new ATOM 1016 N THR A 68 10.335 5.856 4.212 1.00 2.41 N ATOM 1017 CA THR A 68 10.564 7.024 3.380 1.00 3.62 C ATOM 1018 C THR A 68 11.874 7.711 3.774 1.00 2.60 C ATOM 1019 O THR A 68 12.028 8.917 3.586 1.00 3.62 O ATOM 1020 CB THR A 68 9.341 7.937 3.498 1.00 5.45 C ATOM 1021 OG1 THR A 68 8.722 7.532 4.716 1.00 6.60 O ATOM 1022 CG2 THR A 68 8.286 7.641 2.430 1.00 6.50 C ATOM 0 H THR A 68 9.938 6.057 5.130 1.00 2.41 H new ATOM 0 HA THR A 68 10.680 6.746 2.333 1.00 3.62 H new ATOM 0 HB THR A 68 9.656 8.978 3.421 1.00 5.45 H new ATOM 0 HG1 THR A 68 7.748 7.557 4.612 1.00 6.60 H new ATOM 0 HG21 THR A 68 7.440 8.316 2.558 1.00 6.50 H new ATOM 0 HG22 THR A 68 8.719 7.786 1.440 1.00 6.50 H new ATOM 0 HG23 THR A 68 7.947 6.610 2.530 1.00 6.50 H new ATOM 1030 N ARG A 69 12.783 6.914 4.316 1.00 2.12 N ATOM 1031 CA ARG A 69 14.119 7.398 4.614 1.00 3.31 C ATOM 1032 C ARG A 69 14.071 8.871 5.026 1.00 3.67 C ATOM 1033 O ARG A 69 14.394 9.752 4.230 1.00 4.50 O ATOM 1034 CB ARG A 69 15.045 7.244 3.405 1.00 4.28 C ATOM 1035 CG ARG A 69 16.512 7.393 3.815 1.00 5.34 C ATOM 1036 CD ARG A 69 16.945 6.244 4.727 1.00 6.73 C ATOM 1037 NE ARG A 69 18.422 6.135 4.738 1.00 7.88 N ATOM 1038 CZ ARG A 69 19.099 5.174 5.381 1.00 9.26 C ATOM 1039 NH1 ARG A 69 18.441 4.260 6.105 1.00 9.76 N ATOM 1040 NH2 ARG A 69 20.436 5.128 5.299 1.00 10.39 N ATOM 0 H ARG A 69 12.620 5.936 4.556 1.00 2.12 H new ATOM 0 HA ARG A 69 14.511 6.799 5.436 1.00 3.31 H new ATOM 0 HB2 ARG A 69 14.890 6.268 2.945 1.00 4.28 H new ATOM 0 HB3 ARG A 69 14.796 7.993 2.654 1.00 4.28 H new ATOM 0 HG2 ARG A 69 17.142 7.413 2.926 1.00 5.34 H new ATOM 0 HG3 ARG A 69 16.655 8.344 4.329 1.00 5.34 H new ATOM 0 HD2 ARG A 69 16.577 6.414 5.739 1.00 6.73 H new ATOM 0 HD3 ARG A 69 16.506 5.309 4.381 1.00 6.73 H new ATOM 0 HE ARG A 69 18.957 6.835 4.224 1.00 7.88 H new ATOM 0 HH11 ARG A 69 17.424 4.295 6.167 1.00 9.76 H new ATOM 0 HH12 ARG A 69 18.957 3.529 6.594 1.00 9.76 H new ATOM 0 HH21 ARG A 69 20.937 5.824 4.747 1.00 10.39 H new ATOM 0 HH22 ARG A 69 20.952 4.397 5.788 1.00 10.39 H new ATOM 1054 N HIS A 70 13.666 9.092 6.268 1.00 3.82 N ATOM 1055 CA HIS A 70 13.427 10.443 6.748 1.00 4.72 C ATOM 1056 C HIS A 70 14.670 11.301 6.504 1.00 6.06 C ATOM 1057 O HIS A 70 15.467 11.517 7.415 1.00 7.11 O ATOM 1058 CB HIS A 70 12.995 10.429 8.216 1.00 4.77 C ATOM 1059 CG HIS A 70 11.744 9.625 8.480 1.00 3.87 C ATOM 1060 ND1 HIS A 70 11.770 8.271 8.764 1.00 4.01 N ATOM 1061 CD2 HIS A 70 10.433 9.999 8.501 1.00 3.91 C ATOM 1062 CE1 HIS A 70 10.523 7.858 8.946 1.00 3.85 C ATOM 1063 NE2 HIS A 70 9.696 8.930 8.782 1.00 4.16 N ATOM 0 H HIS A 70 13.497 8.359 6.956 1.00 3.82 H new ATOM 0 HA HIS A 70 12.604 10.891 6.191 1.00 4.72 H new ATOM 0 HB2 HIS A 70 13.808 10.026 8.820 1.00 4.77 H new ATOM 0 HB3 HIS A 70 12.832 11.455 8.546 1.00 4.77 H new ATOM 0 HD2 HIS A 70 10.057 10.995 8.320 1.00 3.91 H new ATOM 0 HE1 HIS A 70 10.216 6.850 9.183 1.00 3.85 H new ATOM 0 HE2 HIS A 70 8.679 8.914 8.862 1.00 4.16 H new ATOM 1071 N ASN A 71 14.795 11.767 5.270 1.00 6.27 N ATOM 1072 CA ASN A 71 15.924 12.600 4.895 1.00 7.75 C ATOM 1073 C ASN A 71 15.744 13.080 3.454 1.00 8.15 C ATOM 1074 O ASN A 71 15.894 14.266 3.166 1.00 9.03 O ATOM 1075 CB ASN A 71 17.236 11.816 4.972 1.00 8.28 C ATOM 1076 CG ASN A 71 18.424 12.692 4.567 1.00 9.61 C ATOM 1077 OD1 ASN A 71 18.976 13.437 5.359 1.00 10.47 O ATOM 1078 ND2 ASN A 71 18.782 12.562 3.293 1.00 10.11 N ATOM 0 H ASN A 71 14.132 11.583 4.517 1.00 6.27 H new ATOM 0 HA ASN A 71 15.965 13.442 5.586 1.00 7.75 H new ATOM 0 HB2 ASN A 71 17.383 11.445 5.986 1.00 8.28 H new ATOM 0 HB3 ASN A 71 17.182 10.945 4.318 1.00 8.28 H new ATOM 0 HD21 ASN A 71 19.563 13.105 2.925 1.00 10.11 H new ATOM 0 HD22 ASN A 71 18.276 11.919 2.684 1.00 10.11 H new ATOM 1085 N GLY A 72 15.424 12.131 2.585 1.00 7.65 N ATOM 1086 CA GLY A 72 15.304 12.426 1.166 1.00 8.16 C ATOM 1087 C GLY A 72 14.259 11.524 0.507 1.00 6.89 C ATOM 1088 O GLY A 72 14.550 10.848 -0.479 1.00 7.85 O ATOM 0 H GLY A 72 15.244 11.159 2.836 1.00 7.65 H new ATOM 0 HA2 GLY A 72 15.026 13.471 1.030 1.00 8.16 H new ATOM 0 HA3 GLY A 72 16.269 12.287 0.679 1.00 8.16 H new ATOM 1092 N THR A 73 13.062 11.544 1.075 1.00 5.05 N ATOM 1093 CA THR A 73 11.917 10.921 0.434 1.00 3.96 C ATOM 1094 C THR A 73 11.936 9.409 0.664 1.00 3.05 C ATOM 1095 O THR A 73 10.959 8.838 1.146 1.00 3.22 O ATOM 1096 CB THR A 73 11.935 11.310 -1.046 1.00 3.87 C ATOM 1097 OG1 THR A 73 12.322 12.681 -1.040 1.00 4.76 O ATOM 1098 CG2 THR A 73 10.535 11.321 -1.665 1.00 3.09 C ATOM 0 H THR A 73 12.860 11.983 1.974 1.00 5.05 H new ATOM 0 HA THR A 73 10.981 11.273 0.867 1.00 3.96 H new ATOM 0 HB THR A 73 12.570 10.616 -1.596 1.00 3.87 H new ATOM 0 HG1 THR A 73 12.361 13.014 -1.961 1.00 4.76 H new ATOM 0 HG21 THR A 73 10.604 11.603 -2.716 1.00 3.09 H new ATOM 0 HG22 THR A 73 10.094 10.328 -1.584 1.00 3.09 H new ATOM 0 HG23 THR A 73 9.909 12.040 -1.136 1.00 3.09 H new ATOM 1106 N GLY A 74 13.060 8.801 0.309 1.00 3.16 N ATOM 1107 CA GLY A 74 13.260 7.386 0.570 1.00 2.70 C ATOM 1108 C GLY A 74 12.344 6.531 -0.306 1.00 2.23 C ATOM 1109 O GLY A 74 12.188 6.800 -1.496 1.00 3.00 O ATOM 0 H GLY A 74 13.841 9.263 -0.157 1.00 3.16 H new ATOM 0 HA2 GLY A 74 14.300 7.121 0.381 1.00 2.70 H new ATOM 0 HA3 GLY A 74 13.064 7.175 1.621 1.00 2.70 H new ATOM 1113 N GLY A 75 11.759 5.517 0.317 1.00 1.84 N ATOM 1114 CA GLY A 75 10.873 4.613 -0.396 1.00 1.94 C ATOM 1115 C GLY A 75 11.667 3.647 -1.277 1.00 1.57 C ATOM 1116 O GLY A 75 11.756 2.457 -0.977 1.00 2.82 O ATOM 0 H GLY A 75 11.882 5.302 1.307 1.00 1.84 H new ATOM 0 HA2 GLY A 75 10.272 4.049 0.318 1.00 1.94 H new ATOM 0 HA3 GLY A 75 10.181 5.187 -1.012 1.00 1.94 H new ATOM 1120 N LYS A 76 12.225 4.195 -2.347 1.00 1.95 N ATOM 1121 CA LYS A 76 13.109 3.426 -3.207 1.00 1.82 C ATOM 1122 C LYS A 76 12.340 2.238 -3.789 1.00 1.90 C ATOM 1123 O LYS A 76 11.127 2.132 -3.612 1.00 2.58 O ATOM 1124 CB LYS A 76 14.377 3.027 -2.451 1.00 1.98 C ATOM 1125 CG LYS A 76 15.533 3.973 -2.783 1.00 3.21 C ATOM 1126 CD LYS A 76 15.267 5.377 -2.237 1.00 3.79 C ATOM 1127 CE LYS A 76 15.183 6.400 -3.373 1.00 4.78 C ATOM 1128 NZ LYS A 76 14.493 7.627 -2.916 1.00 5.70 N ATOM 0 H LYS A 76 12.082 5.162 -2.638 1.00 1.95 H new ATOM 0 HA LYS A 76 13.445 4.032 -4.049 1.00 1.82 H new ATOM 0 HB2 LYS A 76 14.185 3.043 -1.378 1.00 1.98 H new ATOM 0 HB3 LYS A 76 14.653 2.005 -2.710 1.00 1.98 H new ATOM 0 HG2 LYS A 76 16.459 3.584 -2.360 1.00 3.21 H new ATOM 0 HG3 LYS A 76 15.671 4.019 -3.863 1.00 3.21 H new ATOM 0 HD2 LYS A 76 14.336 5.380 -1.670 1.00 3.79 H new ATOM 0 HD3 LYS A 76 16.062 5.659 -1.546 1.00 3.79 H new ATOM 0 HE2 LYS A 76 16.185 6.648 -3.722 1.00 4.78 H new ATOM 0 HE3 LYS A 76 14.648 5.969 -4.220 1.00 4.78 H new ATOM 0 HZ1 LYS A 76 14.278 8.230 -3.735 1.00 5.70 H new ATOM 0 HZ2 LYS A 76 13.608 7.369 -2.435 1.00 5.70 H new ATOM 0 HZ3 LYS A 76 15.107 8.145 -2.256 1.00 5.70 H new ATOM 1142 N SER A 77 13.077 1.375 -4.471 1.00 1.53 N ATOM 1143 CA SER A 77 12.497 0.156 -5.009 1.00 1.57 C ATOM 1144 C SER A 77 13.487 -1.003 -4.865 1.00 1.41 C ATOM 1145 O SER A 77 14.606 -0.812 -4.390 1.00 1.52 O ATOM 1146 CB SER A 77 12.100 0.334 -6.475 1.00 1.80 C ATOM 1147 OG SER A 77 13.160 -0.010 -7.362 1.00 2.74 O ATOM 0 H SER A 77 14.071 1.495 -4.664 1.00 1.53 H new ATOM 0 HA SER A 77 11.595 -0.072 -4.441 1.00 1.57 H new ATOM 0 HB2 SER A 77 11.230 -0.286 -6.693 1.00 1.80 H new ATOM 0 HB3 SER A 77 11.805 1.369 -6.647 1.00 1.80 H new ATOM 0 HG SER A 77 12.865 0.116 -8.288 1.00 2.74 H new ATOM 1153 N ILE A 78 13.039 -2.177 -5.282 1.00 1.44 N ATOM 1154 CA ILE A 78 13.868 -3.368 -5.198 1.00 1.47 C ATOM 1155 C ILE A 78 14.863 -3.375 -6.359 1.00 1.40 C ATOM 1156 O ILE A 78 15.852 -4.106 -6.329 1.00 1.55 O ATOM 1157 CB ILE A 78 12.996 -4.624 -5.127 1.00 1.74 C ATOM 1158 CG1 ILE A 78 12.177 -4.796 -6.407 1.00 2.54 C ATOM 1159 CG2 ILE A 78 12.112 -4.607 -3.878 1.00 1.75 C ATOM 1160 CD1 ILE A 78 11.888 -6.273 -6.678 1.00 2.71 C ATOM 0 H ILE A 78 12.112 -2.330 -5.679 1.00 1.44 H new ATOM 0 HA ILE A 78 14.452 -3.361 -4.278 1.00 1.47 H new ATOM 0 HB ILE A 78 13.651 -5.491 -5.046 1.00 1.74 H new ATOM 0 HG12 ILE A 78 11.239 -4.248 -6.319 1.00 2.54 H new ATOM 0 HG13 ILE A 78 12.719 -4.367 -7.250 1.00 2.54 H new ATOM 0 HG21 ILE A 78 11.502 -5.510 -3.851 1.00 1.75 H new ATOM 0 HG22 ILE A 78 12.740 -4.567 -2.988 1.00 1.75 H new ATOM 0 HG23 ILE A 78 11.463 -3.732 -3.904 1.00 1.75 H new ATOM 0 HD11 ILE A 78 11.304 -6.367 -7.594 1.00 2.71 H new ATOM 0 HD12 ILE A 78 12.828 -6.813 -6.790 1.00 2.71 H new ATOM 0 HD13 ILE A 78 11.325 -6.693 -5.844 1.00 2.71 H new ATOM 1172 N TYR A 79 14.567 -2.553 -7.356 1.00 1.37 N ATOM 1173 CA TYR A 79 15.433 -2.442 -8.517 1.00 1.40 C ATOM 1174 C TYR A 79 16.361 -1.231 -8.395 1.00 1.32 C ATOM 1175 O TYR A 79 17.269 -1.056 -9.206 1.00 1.53 O ATOM 1176 CB TYR A 79 14.506 -2.241 -9.717 1.00 1.64 C ATOM 1177 CG TYR A 79 13.546 -3.406 -9.964 1.00 1.77 C ATOM 1178 CD1 TYR A 79 14.005 -4.563 -10.562 1.00 2.19 C ATOM 1179 CD2 TYR A 79 12.223 -3.302 -9.588 1.00 2.65 C ATOM 1180 CE1 TYR A 79 13.102 -5.660 -10.795 1.00 2.41 C ATOM 1181 CE2 TYR A 79 11.319 -4.398 -9.821 1.00 3.06 C ATOM 1182 CZ TYR A 79 11.803 -5.524 -10.413 1.00 2.52 C ATOM 1183 OH TYR A 79 10.950 -6.560 -10.631 1.00 3.01 O ATOM 0 H TYR A 79 13.739 -1.958 -7.383 1.00 1.37 H new ATOM 0 HA TYR A 79 16.058 -3.330 -8.616 1.00 1.40 H new ATOM 0 HB2 TYR A 79 13.925 -1.331 -9.566 1.00 1.64 H new ATOM 0 HB3 TYR A 79 15.112 -2.088 -10.610 1.00 1.64 H new ATOM 0 HD1 TYR A 79 15.041 -4.645 -10.855 1.00 2.19 H new ATOM 0 HD2 TYR A 79 11.865 -2.398 -9.118 1.00 2.65 H new ATOM 0 HE1 TYR A 79 13.448 -6.570 -11.262 1.00 2.41 H new ATOM 0 HE2 TYR A 79 10.281 -4.328 -9.533 1.00 3.06 H new ATOM 0 HH TYR A 79 10.050 -6.310 -10.336 1.00 3.01 H new ATOM 1193 N GLY A 80 16.099 -0.425 -7.376 1.00 1.22 N ATOM 1194 CA GLY A 80 16.872 0.786 -7.162 1.00 1.28 C ATOM 1195 C GLY A 80 16.018 1.873 -6.507 1.00 1.34 C ATOM 1196 O GLY A 80 15.709 1.792 -5.319 1.00 2.27 O ATOM 0 H GLY A 80 15.362 -0.587 -6.690 1.00 1.22 H new ATOM 0 HA2 GLY A 80 17.733 0.565 -6.531 1.00 1.28 H new ATOM 0 HA3 GLY A 80 17.259 1.148 -8.115 1.00 1.28 H new ATOM 1200 N GLU A 81 15.661 2.865 -7.309 1.00 1.62 N ATOM 1201 CA GLU A 81 14.763 3.912 -6.851 1.00 1.57 C ATOM 1202 C GLU A 81 13.395 3.769 -7.522 1.00 1.41 C ATOM 1203 O GLU A 81 12.370 4.092 -6.924 1.00 1.45 O ATOM 1204 CB GLU A 81 15.359 5.297 -7.110 1.00 1.75 C ATOM 1205 CG GLU A 81 14.314 6.393 -6.892 1.00 2.67 C ATOM 1206 CD GLU A 81 14.980 7.724 -6.537 1.00 2.78 C ATOM 1207 OE1 GLU A 81 15.829 8.166 -7.341 1.00 3.15 O ATOM 1208 OE2 GLU A 81 14.624 8.269 -5.470 1.00 3.38 O ATOM 0 H GLU A 81 15.977 2.966 -8.273 1.00 1.62 H new ATOM 0 HA GLU A 81 14.631 3.805 -5.774 1.00 1.57 H new ATOM 0 HB2 GLU A 81 16.208 5.462 -6.446 1.00 1.75 H new ATOM 0 HB3 GLU A 81 15.738 5.349 -8.131 1.00 1.75 H new ATOM 0 HG2 GLU A 81 13.713 6.512 -7.794 1.00 2.67 H new ATOM 0 HG3 GLU A 81 13.634 6.098 -6.093 1.00 2.67 H new ATOM 1215 N LYS A 82 13.424 3.286 -8.755 1.00 1.33 N ATOM 1216 CA LYS A 82 12.204 3.143 -9.532 1.00 1.26 C ATOM 1217 C LYS A 82 12.373 1.997 -10.532 1.00 1.29 C ATOM 1218 O LYS A 82 13.463 1.445 -10.670 1.00 1.39 O ATOM 1219 CB LYS A 82 11.825 4.475 -10.181 1.00 1.28 C ATOM 1220 CG LYS A 82 13.063 5.197 -10.718 1.00 2.38 C ATOM 1221 CD LYS A 82 12.698 6.117 -11.885 1.00 3.01 C ATOM 1222 CE LYS A 82 12.745 5.363 -13.215 1.00 4.86 C ATOM 1223 NZ LYS A 82 12.076 6.144 -14.278 1.00 6.02 N ATOM 0 H LYS A 82 14.273 2.989 -9.236 1.00 1.33 H new ATOM 0 HA LYS A 82 11.367 2.880 -8.885 1.00 1.26 H new ATOM 0 HB2 LYS A 82 11.121 4.300 -10.994 1.00 1.28 H new ATOM 0 HB3 LYS A 82 11.319 5.108 -9.452 1.00 1.28 H new ATOM 0 HG2 LYS A 82 13.523 5.780 -9.920 1.00 2.38 H new ATOM 0 HG3 LYS A 82 13.802 4.465 -11.044 1.00 2.38 H new ATOM 0 HD2 LYS A 82 11.700 6.527 -11.731 1.00 3.01 H new ATOM 0 HD3 LYS A 82 13.388 6.961 -11.917 1.00 3.01 H new ATOM 0 HE2 LYS A 82 13.781 5.171 -13.494 1.00 4.86 H new ATOM 0 HE3 LYS A 82 12.259 4.393 -13.107 1.00 4.86 H new ATOM 0 HZ1 LYS A 82 12.516 5.930 -15.195 1.00 6.02 H new ATOM 0 HZ2 LYS A 82 11.067 5.893 -14.311 1.00 6.02 H new ATOM 0 HZ3 LYS A 82 12.173 7.160 -14.076 1.00 6.02 H new ATOM 1237 N PHE A 83 11.276 1.674 -11.202 1.00 1.29 N ATOM 1238 CA PHE A 83 11.312 0.680 -12.261 1.00 1.45 C ATOM 1239 C PHE A 83 10.094 0.809 -13.177 1.00 1.33 C ATOM 1240 O PHE A 83 9.131 1.497 -12.841 1.00 1.22 O ATOM 1241 CB PHE A 83 11.286 -0.693 -11.587 1.00 1.68 C ATOM 1242 CG PHE A 83 10.004 -0.976 -10.801 1.00 1.22 C ATOM 1243 CD1 PHE A 83 9.842 -0.457 -9.555 1.00 1.96 C ATOM 1244 CD2 PHE A 83 9.027 -1.746 -11.350 1.00 1.88 C ATOM 1245 CE1 PHE A 83 8.652 -0.720 -8.825 1.00 2.44 C ATOM 1246 CE2 PHE A 83 7.836 -2.008 -10.621 1.00 1.86 C ATOM 1247 CZ PHE A 83 7.674 -1.489 -9.374 1.00 1.86 C ATOM 0 H PHE A 83 10.357 2.083 -11.032 1.00 1.29 H new ATOM 0 HA PHE A 83 12.206 0.818 -12.869 1.00 1.45 H new ATOM 0 HB2 PHE A 83 11.410 -1.463 -12.349 1.00 1.68 H new ATOM 0 HB3 PHE A 83 12.138 -0.771 -10.912 1.00 1.68 H new ATOM 0 HD1 PHE A 83 10.618 0.155 -9.120 1.00 1.96 H new ATOM 0 HD2 PHE A 83 9.156 -2.158 -12.340 1.00 1.88 H new ATOM 0 HE1 PHE A 83 8.524 -0.309 -7.834 1.00 2.44 H new ATOM 0 HE2 PHE A 83 7.059 -2.619 -11.057 1.00 1.86 H new ATOM 0 HZ PHE A 83 6.769 -1.688 -8.820 1.00 1.86 H new ATOM 1257 N GLU A 84 10.176 0.138 -14.316 1.00 1.41 N ATOM 1258 CA GLU A 84 9.156 0.278 -15.342 1.00 1.34 C ATOM 1259 C GLU A 84 7.822 -0.282 -14.846 1.00 1.21 C ATOM 1260 O GLU A 84 7.736 -0.790 -13.728 1.00 1.17 O ATOM 1261 CB GLU A 84 9.589 -0.405 -16.642 1.00 1.50 C ATOM 1262 CG GLU A 84 9.763 -1.911 -16.436 1.00 2.15 C ATOM 1263 CD GLU A 84 11.244 -2.288 -16.368 1.00 2.41 C ATOM 1264 OE1 GLU A 84 11.937 -1.709 -15.503 1.00 3.15 O ATOM 1265 OE2 GLU A 84 11.651 -3.145 -17.181 1.00 3.17 O ATOM 0 H GLU A 84 10.933 -0.504 -14.551 1.00 1.41 H new ATOM 0 HA GLU A 84 9.025 1.339 -15.553 1.00 1.34 H new ATOM 0 HB2 GLU A 84 8.845 -0.224 -17.418 1.00 1.50 H new ATOM 0 HB3 GLU A 84 10.526 0.029 -16.991 1.00 1.50 H new ATOM 0 HG2 GLU A 84 9.264 -2.216 -15.516 1.00 2.15 H new ATOM 0 HG3 GLU A 84 9.284 -2.451 -17.253 1.00 2.15 H new ATOM 1272 N ASP A 85 6.816 -0.170 -15.700 1.00 1.28 N ATOM 1273 CA ASP A 85 5.498 -0.688 -15.375 1.00 1.23 C ATOM 1274 C ASP A 85 5.312 -2.052 -16.043 1.00 1.22 C ATOM 1275 O ASP A 85 6.162 -2.489 -16.818 1.00 1.93 O ATOM 1276 CB ASP A 85 4.397 0.242 -15.888 1.00 1.37 C ATOM 1277 CG ASP A 85 3.065 0.139 -15.145 1.00 2.18 C ATOM 1278 OD1 ASP A 85 2.943 -0.795 -14.324 1.00 3.27 O ATOM 1279 OD2 ASP A 85 2.195 0.996 -15.416 1.00 3.07 O ATOM 0 H ASP A 85 6.887 0.272 -16.617 1.00 1.28 H new ATOM 0 HA ASP A 85 5.426 -0.768 -14.290 1.00 1.23 H new ATOM 0 HB2 ASP A 85 4.752 1.270 -15.825 1.00 1.37 H new ATOM 0 HB3 ASP A 85 4.225 0.029 -16.943 1.00 1.37 H new ATOM 1284 N GLU A 86 4.195 -2.687 -15.718 1.00 0.88 N ATOM 1285 CA GLU A 86 3.848 -3.954 -16.339 1.00 0.88 C ATOM 1286 C GLU A 86 2.689 -3.764 -17.320 1.00 0.89 C ATOM 1287 O GLU A 86 2.884 -3.809 -18.534 1.00 1.06 O ATOM 1288 CB GLU A 86 3.506 -5.007 -15.284 1.00 0.90 C ATOM 1289 CG GLU A 86 4.331 -6.279 -15.490 1.00 2.21 C ATOM 1290 CD GLU A 86 3.758 -7.125 -16.629 1.00 3.48 C ATOM 1291 OE1 GLU A 86 2.670 -7.704 -16.415 1.00 4.40 O ATOM 1292 OE2 GLU A 86 4.420 -7.174 -17.687 1.00 4.48 O ATOM 0 H GLU A 86 3.519 -2.348 -15.033 1.00 0.88 H new ATOM 0 HA GLU A 86 4.714 -4.313 -16.895 1.00 0.88 H new ATOM 0 HB2 GLU A 86 3.695 -4.604 -14.289 1.00 0.90 H new ATOM 0 HB3 GLU A 86 2.444 -5.246 -15.335 1.00 0.90 H new ATOM 0 HG2 GLU A 86 5.365 -6.014 -15.713 1.00 2.21 H new ATOM 0 HG3 GLU A 86 4.343 -6.862 -14.569 1.00 2.21 H new ATOM 1299 N ASN A 87 1.508 -3.556 -16.757 1.00 0.78 N ATOM 1300 CA ASN A 87 0.327 -3.309 -17.567 1.00 0.74 C ATOM 1301 C ASN A 87 -0.875 -3.073 -16.648 1.00 0.76 C ATOM 1302 O ASN A 87 -0.826 -3.390 -15.461 1.00 1.03 O ATOM 1303 CB ASN A 87 0.009 -4.510 -18.459 1.00 0.81 C ATOM 1304 CG ASN A 87 0.747 -5.761 -17.978 1.00 1.26 C ATOM 1305 OD1 ASN A 87 1.566 -6.337 -18.676 1.00 2.93 O ATOM 1306 ND2 ASN A 87 0.414 -6.148 -16.750 1.00 0.97 N ATOM 0 H ASN A 87 1.343 -3.553 -15.750 1.00 0.78 H new ATOM 0 HA ASN A 87 0.523 -2.438 -18.192 1.00 0.74 H new ATOM 0 HB2 ASN A 87 -1.065 -4.694 -18.458 1.00 0.81 H new ATOM 0 HB3 ASN A 87 0.293 -4.289 -19.488 1.00 0.81 H new ATOM 0 HD21 ASN A 87 0.852 -6.972 -16.339 1.00 0.97 H new ATOM 0 HD22 ASN A 87 -0.279 -5.621 -16.219 1.00 0.97 H new ATOM 1313 N PHE A 88 -1.925 -2.515 -17.233 1.00 0.63 N ATOM 1314 CA PHE A 88 -3.144 -2.253 -16.488 1.00 0.66 C ATOM 1315 C PHE A 88 -4.216 -3.298 -16.806 1.00 0.72 C ATOM 1316 O PHE A 88 -5.365 -2.953 -17.078 1.00 0.80 O ATOM 1317 CB PHE A 88 -3.648 -0.876 -16.925 1.00 0.75 C ATOM 1318 CG PHE A 88 -2.591 0.227 -16.844 1.00 0.76 C ATOM 1319 CD1 PHE A 88 -2.216 0.723 -15.634 1.00 1.91 C ATOM 1320 CD2 PHE A 88 -2.026 0.712 -17.982 1.00 2.10 C ATOM 1321 CE1 PHE A 88 -1.236 1.747 -15.559 1.00 1.84 C ATOM 1322 CE2 PHE A 88 -1.045 1.736 -17.907 1.00 2.24 C ATOM 1323 CZ PHE A 88 -0.670 2.231 -16.698 1.00 0.97 C ATOM 0 H PHE A 88 -1.956 -2.237 -18.214 1.00 0.63 H new ATOM 0 HA PHE A 88 -2.941 -2.292 -15.418 1.00 0.66 H new ATOM 0 HB2 PHE A 88 -4.012 -0.942 -17.950 1.00 0.75 H new ATOM 0 HB3 PHE A 88 -4.498 -0.597 -16.302 1.00 0.75 H new ATOM 0 HD1 PHE A 88 -2.664 0.337 -14.730 1.00 1.91 H new ATOM 0 HD2 PHE A 88 -2.323 0.318 -18.943 1.00 2.10 H new ATOM 0 HE1 PHE A 88 -0.940 2.142 -14.598 1.00 1.84 H new ATOM 0 HE2 PHE A 88 -0.597 2.122 -18.811 1.00 2.24 H new ATOM 0 HZ PHE A 88 0.077 3.009 -16.641 1.00 0.97 H new ATOM 1333 N ILE A 89 -3.801 -4.556 -16.761 1.00 0.72 N ATOM 1334 CA ILE A 89 -4.725 -5.657 -16.977 1.00 0.82 C ATOM 1335 C ILE A 89 -5.771 -5.667 -15.859 1.00 0.82 C ATOM 1336 O ILE A 89 -6.893 -6.131 -16.058 1.00 1.07 O ATOM 1337 CB ILE A 89 -3.963 -6.976 -17.118 1.00 0.87 C ATOM 1338 CG1 ILE A 89 -3.236 -7.047 -18.463 1.00 0.92 C ATOM 1339 CG2 ILE A 89 -4.895 -8.172 -16.906 1.00 1.01 C ATOM 1340 CD1 ILE A 89 -2.102 -8.074 -18.418 1.00 0.91 C ATOM 0 H ILE A 89 -2.838 -4.837 -16.578 1.00 0.72 H new ATOM 0 HA ILE A 89 -5.263 -5.524 -17.916 1.00 0.82 H new ATOM 0 HB ILE A 89 -3.203 -7.018 -16.338 1.00 0.87 H new ATOM 0 HG12 ILE A 89 -3.942 -7.314 -19.249 1.00 0.92 H new ATOM 0 HG13 ILE A 89 -2.834 -6.066 -18.716 1.00 0.92 H new ATOM 0 HG21 ILE A 89 -4.329 -9.098 -17.012 1.00 1.01 H new ATOM 0 HG22 ILE A 89 -5.328 -8.123 -15.907 1.00 1.01 H new ATOM 0 HG23 ILE A 89 -5.693 -8.148 -17.649 1.00 1.01 H new ATOM 0 HD11 ILE A 89 -1.601 -8.106 -19.386 1.00 0.91 H new ATOM 0 HD12 ILE A 89 -1.385 -7.791 -17.647 1.00 0.91 H new ATOM 0 HD13 ILE A 89 -2.511 -9.058 -18.189 1.00 0.91 H new ATOM 1352 N LEU A 90 -5.366 -5.150 -14.709 1.00 0.62 N ATOM 1353 CA LEU A 90 -6.257 -5.083 -13.563 1.00 0.60 C ATOM 1354 C LEU A 90 -7.174 -3.866 -13.708 1.00 0.60 C ATOM 1355 O LEU A 90 -6.973 -3.034 -14.591 1.00 0.88 O ATOM 1356 CB LEU A 90 -5.456 -5.098 -12.260 1.00 0.65 C ATOM 1357 CG LEU A 90 -4.656 -6.372 -11.979 1.00 1.06 C ATOM 1358 CD1 LEU A 90 -5.521 -7.617 -12.178 1.00 1.46 C ATOM 1359 CD2 LEU A 90 -3.383 -6.416 -12.825 1.00 2.44 C ATOM 0 H LEU A 90 -4.432 -4.773 -14.546 1.00 0.62 H new ATOM 0 HA LEU A 90 -6.898 -5.964 -13.525 1.00 0.60 H new ATOM 0 HB2 LEU A 90 -4.766 -4.254 -12.271 1.00 0.65 H new ATOM 0 HB3 LEU A 90 -6.145 -4.935 -11.431 1.00 0.65 H new ATOM 0 HG LEU A 90 -4.347 -6.359 -10.934 1.00 1.06 H new ATOM 0 HD11 LEU A 90 -4.929 -8.508 -11.972 1.00 1.46 H new ATOM 0 HD12 LEU A 90 -6.372 -7.582 -11.498 1.00 1.46 H new ATOM 0 HD13 LEU A 90 -5.880 -7.650 -13.207 1.00 1.46 H new ATOM 0 HD21 LEU A 90 -2.832 -7.331 -12.607 1.00 2.44 H new ATOM 0 HD22 LEU A 90 -3.648 -6.395 -13.882 1.00 2.44 H new ATOM 0 HD23 LEU A 90 -2.760 -5.553 -12.590 1.00 2.44 H new ATOM 1371 N LYS A 91 -8.162 -3.803 -12.827 1.00 0.60 N ATOM 1372 CA LYS A 91 -9.083 -2.679 -12.816 1.00 0.68 C ATOM 1373 C LYS A 91 -9.365 -2.270 -11.369 1.00 0.56 C ATOM 1374 O LYS A 91 -8.844 -2.879 -10.435 1.00 0.47 O ATOM 1375 CB LYS A 91 -10.344 -3.012 -13.618 1.00 0.94 C ATOM 1376 CG LYS A 91 -10.215 -2.533 -15.065 1.00 1.10 C ATOM 1377 CD LYS A 91 -11.547 -2.663 -15.806 1.00 1.33 C ATOM 1378 CE LYS A 91 -12.577 -1.670 -15.261 1.00 1.70 C ATOM 1379 NZ LYS A 91 -13.693 -2.389 -14.606 1.00 3.46 N ATOM 0 H LYS A 91 -8.345 -4.512 -12.116 1.00 0.60 H new ATOM 0 HA LYS A 91 -8.637 -1.816 -13.310 1.00 0.68 H new ATOM 0 HB2 LYS A 91 -10.516 -4.088 -13.601 1.00 0.94 H new ATOM 0 HB3 LYS A 91 -11.210 -2.543 -13.152 1.00 0.94 H new ATOM 0 HG2 LYS A 91 -9.886 -1.494 -15.080 1.00 1.10 H new ATOM 0 HG3 LYS A 91 -9.451 -3.116 -15.578 1.00 1.10 H new ATOM 0 HD2 LYS A 91 -11.394 -2.486 -16.871 1.00 1.33 H new ATOM 0 HD3 LYS A 91 -11.927 -3.680 -15.703 1.00 1.33 H new ATOM 0 HE2 LYS A 91 -12.101 -0.998 -14.547 1.00 1.70 H new ATOM 0 HE3 LYS A 91 -12.961 -1.053 -16.073 1.00 1.70 H new ATOM 0 HZ1 LYS A 91 -14.383 -1.701 -14.242 1.00 3.46 H new ATOM 0 HZ2 LYS A 91 -14.157 -3.012 -15.297 1.00 3.46 H new ATOM 0 HZ3 LYS A 91 -13.324 -2.959 -13.818 1.00 3.46 H new ATOM 1393 N HIS A 92 -10.188 -1.243 -11.227 1.00 0.66 N ATOM 1394 CA HIS A 92 -10.575 -0.768 -9.910 1.00 0.56 C ATOM 1395 C HIS A 92 -12.070 -1.007 -9.695 1.00 0.56 C ATOM 1396 O HIS A 92 -12.887 -0.124 -9.955 1.00 0.62 O ATOM 1397 CB HIS A 92 -10.174 0.697 -9.721 1.00 0.56 C ATOM 1398 CG HIS A 92 -8.694 0.952 -9.866 1.00 0.72 C ATOM 1399 ND1 HIS A 92 -7.995 1.804 -9.028 1.00 1.11 N ATOM 1400 CD2 HIS A 92 -7.787 0.460 -10.758 1.00 2.24 C ATOM 1401 CE1 HIS A 92 -6.726 1.816 -9.409 1.00 0.70 C ATOM 1402 NE2 HIS A 92 -6.599 0.984 -10.482 1.00 1.80 N ATOM 0 H HIS A 92 -10.599 -0.725 -12.004 1.00 0.66 H new ATOM 0 HA HIS A 92 -10.040 -1.332 -9.145 1.00 0.56 H new ATOM 0 HB2 HIS A 92 -10.710 1.306 -10.448 1.00 0.56 H new ATOM 0 HB3 HIS A 92 -10.494 1.026 -8.732 1.00 0.56 H new ATOM 0 HD2 HIS A 92 -7.999 -0.238 -11.554 1.00 2.24 H new ATOM 0 HE1 HIS A 92 -5.931 2.385 -8.950 1.00 0.70 H new ATOM 0 HE2 HIS A 92 -5.734 0.795 -10.989 1.00 1.80 H new ATOM 1410 N THR A 93 -12.385 -2.205 -9.224 1.00 0.56 N ATOM 1411 CA THR A 93 -13.770 -2.631 -9.126 1.00 0.60 C ATOM 1412 C THR A 93 -14.490 -1.854 -8.021 1.00 0.57 C ATOM 1413 O THR A 93 -15.686 -1.587 -8.124 1.00 0.64 O ATOM 1414 CB THR A 93 -13.785 -4.145 -8.912 1.00 0.67 C ATOM 1415 OG1 THR A 93 -12.763 -4.370 -7.944 1.00 0.59 O ATOM 1416 CG2 THR A 93 -13.306 -4.915 -10.145 1.00 0.81 C ATOM 0 H THR A 93 -11.704 -2.894 -8.906 1.00 0.56 H new ATOM 0 HA THR A 93 -14.317 -2.413 -10.043 1.00 0.60 H new ATOM 0 HB THR A 93 -14.794 -4.465 -8.653 1.00 0.67 H new ATOM 0 HG1 THR A 93 -12.706 -5.328 -7.745 1.00 0.59 H new ATOM 0 HG21 THR A 93 -13.336 -5.985 -9.940 1.00 0.81 H new ATOM 0 HG22 THR A 93 -13.956 -4.689 -10.990 1.00 0.81 H new ATOM 0 HG23 THR A 93 -12.284 -4.620 -10.384 1.00 0.81 H new ATOM 1424 N GLY A 94 -13.730 -1.515 -6.990 1.00 0.53 N ATOM 1425 CA GLY A 94 -14.292 -0.817 -5.845 1.00 0.52 C ATOM 1426 C GLY A 94 -13.410 -0.999 -4.607 1.00 0.51 C ATOM 1427 O GLY A 94 -12.185 -1.029 -4.712 1.00 0.54 O ATOM 0 H GLY A 94 -12.731 -1.710 -6.923 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -14.390 0.244 -6.073 1.00 0.52 H new ATOM 0 HA3 GLY A 94 -15.294 -1.193 -5.641 1.00 0.52 H new ATOM 1431 N PRO A 95 -14.086 -1.117 -3.433 1.00 0.52 N ATOM 1432 CA PRO A 95 -13.379 -1.309 -2.178 1.00 0.54 C ATOM 1433 C PRO A 95 -12.853 -2.741 -2.060 1.00 0.65 C ATOM 1434 O PRO A 95 -13.524 -3.688 -2.470 1.00 0.80 O ATOM 1435 CB PRO A 95 -14.389 -0.955 -1.099 1.00 0.54 C ATOM 1436 CG PRO A 95 -15.753 -1.027 -1.765 1.00 0.57 C ATOM 1437 CD PRO A 95 -15.536 -1.069 -3.268 1.00 0.55 C ATOM 0 HA PRO A 95 -12.492 -0.682 -2.094 1.00 0.54 H new ATOM 0 HB2 PRO A 95 -14.326 -1.650 -0.262 1.00 0.54 H new ATOM 0 HB3 PRO A 95 -14.201 0.042 -0.700 1.00 0.54 H new ATOM 0 HG2 PRO A 95 -16.294 -1.913 -1.433 1.00 0.57 H new ATOM 0 HG3 PRO A 95 -16.358 -0.163 -1.491 1.00 0.57 H new ATOM 0 HD2 PRO A 95 -16.014 -1.942 -3.713 1.00 0.55 H new ATOM 0 HD3 PRO A 95 -15.961 -0.191 -3.754 1.00 0.55 H new ATOM 1445 N GLY A 96 -11.660 -2.855 -1.497 1.00 0.67 N ATOM 1446 CA GLY A 96 -10.980 -4.137 -1.437 1.00 0.75 C ATOM 1447 C GLY A 96 -10.029 -4.310 -2.624 1.00 0.71 C ATOM 1448 O GLY A 96 -9.971 -5.380 -3.226 1.00 1.11 O ATOM 0 H GLY A 96 -11.146 -2.080 -1.078 1.00 0.67 H new ATOM 0 HA2 GLY A 96 -10.421 -4.213 -0.504 1.00 0.75 H new ATOM 0 HA3 GLY A 96 -11.714 -4.942 -1.435 1.00 0.75 H new ATOM 1452 N ILE A 97 -9.307 -3.240 -2.923 1.00 0.50 N ATOM 1453 CA ILE A 97 -8.415 -3.236 -4.070 1.00 0.45 C ATOM 1454 C ILE A 97 -7.072 -2.624 -3.664 1.00 0.47 C ATOM 1455 O ILE A 97 -6.999 -1.441 -3.338 1.00 0.50 O ATOM 1456 CB ILE A 97 -9.076 -2.536 -5.259 1.00 0.52 C ATOM 1457 CG1 ILE A 97 -10.052 -3.472 -5.973 1.00 0.79 C ATOM 1458 CG2 ILE A 97 -8.023 -1.969 -6.215 1.00 0.63 C ATOM 1459 CD1 ILE A 97 -9.311 -4.427 -6.910 1.00 0.79 C ATOM 0 H ILE A 97 -9.322 -2.370 -2.391 1.00 0.50 H new ATOM 0 HA ILE A 97 -8.214 -4.255 -4.401 1.00 0.45 H new ATOM 0 HB ILE A 97 -9.656 -1.694 -4.881 1.00 0.52 H new ATOM 0 HG12 ILE A 97 -10.617 -4.044 -5.237 1.00 0.79 H new ATOM 0 HG13 ILE A 97 -10.773 -2.885 -6.542 1.00 0.79 H new ATOM 0 HG21 ILE A 97 -8.519 -1.477 -7.052 1.00 0.63 H new ATOM 0 HG22 ILE A 97 -7.402 -1.247 -5.685 1.00 0.63 H new ATOM 0 HG23 ILE A 97 -7.398 -2.779 -6.590 1.00 0.63 H new ATOM 0 HD11 ILE A 97 -10.029 -5.081 -7.405 1.00 0.79 H new ATOM 0 HD12 ILE A 97 -8.767 -3.852 -7.660 1.00 0.79 H new ATOM 0 HD13 ILE A 97 -8.608 -5.029 -6.334 1.00 0.79 H new ATOM 1471 N LEU A 98 -6.045 -3.459 -3.697 1.00 0.57 N ATOM 1472 CA LEU A 98 -4.704 -3.009 -3.363 1.00 0.62 C ATOM 1473 C LEU A 98 -4.077 -2.336 -4.587 1.00 0.60 C ATOM 1474 O LEU A 98 -3.404 -2.989 -5.382 1.00 0.69 O ATOM 1475 CB LEU A 98 -3.873 -4.166 -2.805 1.00 0.68 C ATOM 1476 CG LEU A 98 -2.456 -3.816 -2.350 1.00 0.72 C ATOM 1477 CD1 LEU A 98 -2.468 -3.178 -0.959 1.00 1.09 C ATOM 1478 CD2 LEU A 98 -1.541 -5.041 -2.410 1.00 1.87 C ATOM 0 H LEU A 98 -6.114 -4.445 -3.950 1.00 0.57 H new ATOM 0 HA LEU A 98 -4.740 -2.262 -2.570 1.00 0.62 H new ATOM 0 HB2 LEU A 98 -4.409 -4.597 -1.959 1.00 0.68 H new ATOM 0 HB3 LEU A 98 -3.807 -4.941 -3.569 1.00 0.68 H new ATOM 0 HG LEU A 98 -2.050 -3.077 -3.040 1.00 0.72 H new ATOM 0 HD11 LEU A 98 -1.448 -2.939 -0.660 1.00 1.09 H new ATOM 0 HD12 LEU A 98 -3.063 -2.265 -0.983 1.00 1.09 H new ATOM 0 HD13 LEU A 98 -2.902 -3.875 -0.243 1.00 1.09 H new ATOM 0 HD21 LEU A 98 -0.540 -4.764 -2.081 1.00 1.87 H new ATOM 0 HD22 LEU A 98 -1.934 -5.821 -1.758 1.00 1.87 H new ATOM 0 HD23 LEU A 98 -1.497 -5.412 -3.434 1.00 1.87 H new ATOM 1490 N SER A 99 -4.322 -1.039 -4.698 1.00 0.82 N ATOM 1491 CA SER A 99 -3.815 -0.276 -5.827 1.00 0.84 C ATOM 1492 C SER A 99 -2.393 0.205 -5.537 1.00 0.76 C ATOM 1493 O SER A 99 -1.804 -0.161 -4.521 1.00 0.90 O ATOM 1494 CB SER A 99 -4.725 0.913 -6.140 1.00 0.88 C ATOM 1495 OG SER A 99 -4.134 1.802 -7.085 1.00 1.55 O ATOM 0 H SER A 99 -4.864 -0.497 -4.026 1.00 0.82 H new ATOM 0 HA SER A 99 -3.799 -0.927 -6.701 1.00 0.84 H new ATOM 0 HB2 SER A 99 -5.676 0.549 -6.529 1.00 0.88 H new ATOM 0 HB3 SER A 99 -4.944 1.455 -5.220 1.00 0.88 H new ATOM 0 HG SER A 99 -4.090 1.366 -7.961 1.00 1.55 H new ATOM 1501 N MET A 100 -1.880 1.020 -6.448 1.00 0.96 N ATOM 1502 CA MET A 100 -0.478 1.400 -6.410 1.00 0.84 C ATOM 1503 C MET A 100 -0.297 2.868 -6.798 1.00 0.70 C ATOM 1504 O MET A 100 -0.926 3.346 -7.740 1.00 0.91 O ATOM 1505 CB MET A 100 0.317 0.514 -7.372 1.00 1.12 C ATOM 1506 CG MET A 100 1.793 0.460 -6.974 1.00 1.29 C ATOM 1507 SD MET A 100 2.745 1.561 -8.007 1.00 2.72 S ATOM 1508 CE MET A 100 4.320 1.486 -7.172 1.00 2.09 C ATOM 0 H MET A 100 -2.411 1.428 -7.217 1.00 0.96 H new ATOM 0 HA MET A 100 -0.112 1.266 -5.392 1.00 0.84 H new ATOM 0 HB2 MET A 100 -0.100 -0.493 -7.374 1.00 1.12 H new ATOM 0 HB3 MET A 100 0.224 0.899 -8.388 1.00 1.12 H new ATOM 0 HG2 MET A 100 1.906 0.742 -5.927 1.00 1.29 H new ATOM 0 HG3 MET A 100 2.168 -0.559 -7.072 1.00 1.29 H new ATOM 0 HE1 MET A 100 4.884 2.396 -7.376 1.00 2.09 H new ATOM 0 HE2 MET A 100 4.158 1.392 -6.098 1.00 2.09 H new ATOM 0 HE3 MET A 100 4.881 0.624 -7.531 1.00 2.09 H new ATOM 1518 N ALA A 101 0.567 3.542 -6.052 1.00 0.65 N ATOM 1519 CA ALA A 101 0.830 4.949 -6.299 1.00 0.62 C ATOM 1520 C ALA A 101 2.118 5.088 -7.111 1.00 0.81 C ATOM 1521 O ALA A 101 3.083 4.361 -6.880 1.00 1.59 O ATOM 1522 CB ALA A 101 0.897 5.697 -4.966 1.00 0.64 C ATOM 0 H ALA A 101 1.093 3.139 -5.277 1.00 0.65 H new ATOM 0 HA ALA A 101 0.024 5.394 -6.882 1.00 0.62 H new ATOM 0 HB1 ALA A 101 1.094 6.753 -5.151 1.00 0.64 H new ATOM 0 HB2 ALA A 101 -0.053 5.592 -4.442 1.00 0.64 H new ATOM 0 HB3 ALA A 101 1.697 5.280 -4.355 1.00 0.64 H new ATOM 1528 N ASN A 102 2.093 6.027 -8.045 1.00 0.94 N ATOM 1529 CA ASN A 102 3.227 6.234 -8.930 1.00 1.07 C ATOM 1530 C ASN A 102 3.300 7.711 -9.322 1.00 1.00 C ATOM 1531 O ASN A 102 2.291 8.309 -9.690 1.00 1.09 O ATOM 1532 CB ASN A 102 3.082 5.410 -10.211 1.00 1.22 C ATOM 1533 CG ASN A 102 1.882 5.883 -11.034 1.00 2.05 C ATOM 1534 OD1 ASN A 102 0.819 6.182 -10.514 1.00 2.89 O ATOM 1535 ND2 ASN A 102 2.109 5.933 -12.343 1.00 3.01 N ATOM 0 H ASN A 102 1.305 6.654 -8.208 1.00 0.94 H new ATOM 0 HA ASN A 102 4.129 5.924 -8.402 1.00 1.07 H new ATOM 0 HB2 ASN A 102 3.991 5.493 -10.806 1.00 1.22 H new ATOM 0 HB3 ASN A 102 2.962 4.357 -9.958 1.00 1.22 H new ATOM 0 HD21 ASN A 102 1.370 6.236 -12.978 1.00 3.01 H new ATOM 0 HD22 ASN A 102 3.022 5.669 -12.713 1.00 3.01 H new ATOM 1542 N ALA A 103 4.504 8.255 -9.230 1.00 1.02 N ATOM 1543 CA ALA A 103 4.721 9.652 -9.567 1.00 1.05 C ATOM 1544 C ALA A 103 5.007 9.773 -11.065 1.00 1.06 C ATOM 1545 O ALA A 103 5.986 10.399 -11.466 1.00 1.40 O ATOM 1546 CB ALA A 103 5.858 10.214 -8.709 1.00 1.28 C ATOM 0 H ALA A 103 5.339 7.754 -8.927 1.00 1.02 H new ATOM 0 HA ALA A 103 3.829 10.241 -9.353 1.00 1.05 H new ATOM 0 HB1 ALA A 103 6.021 11.262 -8.962 1.00 1.28 H new ATOM 0 HB2 ALA A 103 5.593 10.132 -7.655 1.00 1.28 H new ATOM 0 HB3 ALA A 103 6.771 9.649 -8.899 1.00 1.28 H new ATOM 1552 N GLY A 104 4.133 9.162 -11.852 1.00 1.01 N ATOM 1553 CA GLY A 104 4.255 9.229 -13.298 1.00 1.19 C ATOM 1554 C GLY A 104 4.524 7.844 -13.891 1.00 1.19 C ATOM 1555 O GLY A 104 4.553 6.850 -13.167 1.00 1.06 O ATOM 0 H GLY A 104 3.338 8.619 -11.515 1.00 1.01 H new ATOM 0 HA2 GLY A 104 3.340 9.640 -13.725 1.00 1.19 H new ATOM 0 HA3 GLY A 104 5.065 9.907 -13.567 1.00 1.19 H new ATOM 1559 N PRO A 105 4.719 7.823 -15.237 1.00 1.44 N ATOM 1560 CA PRO A 105 4.971 6.574 -15.936 1.00 1.54 C ATOM 1561 C PRO A 105 6.399 6.084 -15.688 1.00 1.51 C ATOM 1562 O PRO A 105 7.343 6.872 -15.714 1.00 1.60 O ATOM 1563 CB PRO A 105 4.695 6.880 -17.400 1.00 1.89 C ATOM 1564 CG PRO A 105 4.751 8.394 -17.526 1.00 1.99 C ATOM 1565 CD PRO A 105 4.704 8.981 -16.125 1.00 1.70 C ATOM 0 HA PRO A 105 4.336 5.761 -15.585 1.00 1.54 H new ATOM 0 HB2 PRO A 105 5.436 6.407 -18.045 1.00 1.89 H new ATOM 0 HB3 PRO A 105 3.720 6.499 -17.702 1.00 1.89 H new ATOM 0 HG2 PRO A 105 5.663 8.701 -18.038 1.00 1.99 H new ATOM 0 HG3 PRO A 105 3.914 8.759 -18.121 1.00 1.99 H new ATOM 0 HD2 PRO A 105 5.558 9.633 -15.940 1.00 1.70 H new ATOM 0 HD3 PRO A 105 3.806 9.582 -15.977 1.00 1.70 H new ATOM 1573 N ASN A 106 6.512 4.785 -15.449 1.00 1.50 N ATOM 1574 CA ASN A 106 7.809 4.180 -15.200 1.00 1.58 C ATOM 1575 C ASN A 106 8.469 4.874 -14.006 1.00 1.51 C ATOM 1576 O ASN A 106 9.694 4.962 -13.934 1.00 1.58 O ATOM 1577 CB ASN A 106 8.732 4.340 -16.409 1.00 1.81 C ATOM 1578 CG ASN A 106 7.967 4.126 -17.716 1.00 3.05 C ATOM 1579 OD1 ASN A 106 7.651 5.054 -18.440 1.00 4.31 O ATOM 1580 ND2 ASN A 106 7.688 2.851 -17.976 1.00 3.68 N ATOM 0 H ASN A 106 5.726 4.135 -15.423 1.00 1.50 H new ATOM 0 HA ASN A 106 7.655 3.119 -15.002 1.00 1.58 H new ATOM 0 HB2 ASN A 106 9.176 5.335 -16.402 1.00 1.81 H new ATOM 0 HB3 ASN A 106 9.552 3.625 -16.342 1.00 1.81 H new ATOM 0 HD21 ASN A 106 7.180 2.603 -18.825 1.00 3.68 H new ATOM 0 HD22 ASN A 106 7.982 2.122 -17.326 1.00 3.68 H new ATOM 1587 N THR A 107 7.628 5.349 -13.099 1.00 1.44 N ATOM 1588 CA THR A 107 8.115 5.983 -11.886 1.00 1.44 C ATOM 1589 C THR A 107 7.445 5.367 -10.656 1.00 1.49 C ATOM 1590 O THR A 107 6.504 5.939 -10.106 1.00 2.40 O ATOM 1591 CB THR A 107 7.883 7.489 -12.014 1.00 1.47 C ATOM 1592 OG1 THR A 107 8.657 7.865 -13.151 1.00 2.71 O ATOM 1593 CG2 THR A 107 8.507 8.279 -10.862 1.00 1.35 C ATOM 0 H THR A 107 6.612 5.307 -13.180 1.00 1.44 H new ATOM 0 HA THR A 107 9.184 5.814 -11.753 1.00 1.44 H new ATOM 0 HB THR A 107 6.812 7.688 -12.052 1.00 1.47 H new ATOM 0 HG1 THR A 107 8.176 7.622 -13.969 1.00 2.71 H new ATOM 0 HG21 THR A 107 8.313 9.342 -11.003 1.00 1.35 H new ATOM 0 HG22 THR A 107 8.071 7.952 -9.918 1.00 1.35 H new ATOM 0 HG23 THR A 107 9.583 8.106 -10.843 1.00 1.35 H new ATOM 1601 N ASN A 108 7.956 4.211 -10.260 1.00 1.26 N ATOM 1602 CA ASN A 108 7.363 3.468 -9.160 1.00 1.37 C ATOM 1603 C ASN A 108 8.343 3.437 -7.986 1.00 1.46 C ATOM 1604 O ASN A 108 9.466 3.926 -8.096 1.00 2.47 O ATOM 1605 CB ASN A 108 7.066 2.024 -9.568 1.00 1.90 C ATOM 1606 CG ASN A 108 6.024 1.975 -10.687 1.00 2.56 C ATOM 1607 OD1 ASN A 108 4.865 2.309 -10.508 1.00 3.04 O ATOM 1608 ND2 ASN A 108 6.501 1.537 -11.850 1.00 3.83 N ATOM 0 H ASN A 108 8.774 3.770 -10.681 1.00 1.26 H new ATOM 0 HA ASN A 108 6.432 3.962 -8.881 1.00 1.37 H new ATOM 0 HB2 ASN A 108 7.984 1.540 -9.900 1.00 1.90 H new ATOM 0 HB3 ASN A 108 6.705 1.465 -8.705 1.00 1.90 H new ATOM 0 HD21 ASN A 108 5.885 1.465 -12.659 1.00 3.83 H new ATOM 0 HD22 ASN A 108 7.483 1.273 -11.932 1.00 3.83 H new ATOM 1615 N GLY A 109 7.883 2.854 -6.888 1.00 1.27 N ATOM 1616 CA GLY A 109 8.726 2.696 -5.716 1.00 1.52 C ATOM 1617 C GLY A 109 8.052 1.801 -4.673 1.00 1.30 C ATOM 1618 O GLY A 109 8.377 0.620 -4.559 1.00 2.10 O ATOM 0 H GLY A 109 6.937 2.486 -6.786 1.00 1.27 H new ATOM 0 HA2 GLY A 109 9.683 2.264 -6.008 1.00 1.52 H new ATOM 0 HA3 GLY A 109 8.937 3.673 -5.281 1.00 1.52 H new ATOM 1622 N SER A 110 7.126 2.398 -3.937 1.00 1.44 N ATOM 1623 CA SER A 110 6.277 1.635 -3.038 1.00 1.63 C ATOM 1624 C SER A 110 5.038 2.452 -2.669 1.00 1.83 C ATOM 1625 O SER A 110 4.126 2.606 -3.481 1.00 3.11 O ATOM 1626 CB SER A 110 7.039 1.227 -1.775 1.00 1.97 C ATOM 1627 OG SER A 110 7.482 2.358 -1.030 1.00 3.29 O ATOM 0 H SER A 110 6.945 3.402 -3.945 1.00 1.44 H new ATOM 0 HA SER A 110 5.965 0.726 -3.552 1.00 1.63 H new ATOM 0 HB2 SER A 110 6.397 0.609 -1.148 1.00 1.97 H new ATOM 0 HB3 SER A 110 7.898 0.616 -2.051 1.00 1.97 H new ATOM 0 HG SER A 110 7.962 2.056 -0.231 1.00 3.29 H new ATOM 1633 N GLN A 111 5.043 2.954 -1.443 1.00 1.68 N ATOM 1634 CA GLN A 111 3.930 3.753 -0.957 1.00 1.81 C ATOM 1635 C GLN A 111 2.629 3.320 -1.637 1.00 1.79 C ATOM 1636 O GLN A 111 2.114 4.026 -2.504 1.00 2.58 O ATOM 1637 CB GLN A 111 4.191 5.244 -1.170 1.00 1.88 C ATOM 1638 CG GLN A 111 5.425 5.702 -0.389 1.00 2.85 C ATOM 1639 CD GLN A 111 5.820 7.129 -0.776 1.00 3.66 C ATOM 1640 OE1 GLN A 111 4.988 7.979 -1.049 1.00 4.39 O ATOM 1641 NE2 GLN A 111 7.132 7.343 -0.783 1.00 4.31 N ATOM 0 H GLN A 111 5.800 2.823 -0.772 1.00 1.68 H new ATOM 0 HA GLN A 111 3.829 3.586 0.115 1.00 1.81 H new ATOM 0 HB2 GLN A 111 4.334 5.444 -2.232 1.00 1.88 H new ATOM 0 HB3 GLN A 111 3.321 5.818 -0.852 1.00 1.88 H new ATOM 0 HG2 GLN A 111 5.221 5.655 0.681 1.00 2.85 H new ATOM 0 HG3 GLN A 111 6.256 5.025 -0.585 1.00 2.85 H new ATOM 0 HE21 GLN A 111 7.773 6.587 -0.544 1.00 4.31 H new ATOM 0 HE22 GLN A 111 7.497 8.263 -1.027 1.00 4.31 H new ATOM 1650 N PHE A 112 2.137 2.164 -1.221 1.00 1.13 N ATOM 1651 CA PHE A 112 0.913 1.623 -1.789 1.00 0.97 C ATOM 1652 C PHE A 112 -0.308 2.058 -0.976 1.00 0.94 C ATOM 1653 O PHE A 112 -0.177 2.791 0.004 1.00 1.21 O ATOM 1654 CB PHE A 112 1.030 0.099 -1.734 1.00 1.00 C ATOM 1655 CG PHE A 112 1.467 -0.443 -0.371 1.00 1.27 C ATOM 1656 CD1 PHE A 112 0.555 -0.599 0.624 1.00 2.26 C ATOM 1657 CD2 PHE A 112 2.771 -0.769 -0.157 1.00 1.97 C ATOM 1658 CE1 PHE A 112 0.961 -1.102 1.889 1.00 2.71 C ATOM 1659 CE2 PHE A 112 3.177 -1.272 1.108 1.00 2.31 C ATOM 1660 CZ PHE A 112 2.264 -1.428 2.103 1.00 2.28 C ATOM 0 H PHE A 112 2.563 1.586 -0.497 1.00 1.13 H new ATOM 0 HA PHE A 112 0.785 1.985 -2.809 1.00 0.97 H new ATOM 0 HB2 PHE A 112 0.067 -0.339 -1.996 1.00 1.00 H new ATOM 0 HB3 PHE A 112 1.744 -0.228 -2.490 1.00 1.00 H new ATOM 0 HD1 PHE A 112 -0.480 -0.340 0.453 1.00 2.26 H new ATOM 0 HD2 PHE A 112 3.496 -0.645 -0.948 1.00 1.97 H new ATOM 0 HE1 PHE A 112 0.236 -1.225 2.680 1.00 2.71 H new ATOM 0 HE2 PHE A 112 4.212 -1.531 1.279 1.00 2.31 H new ATOM 0 HZ PHE A 112 2.574 -1.811 3.064 1.00 2.28 H new ATOM 1670 N PHE A 113 -1.468 1.590 -1.414 1.00 0.89 N ATOM 1671 CA PHE A 113 -2.711 1.923 -0.739 1.00 1.17 C ATOM 1672 C PHE A 113 -3.803 0.903 -1.068 1.00 1.12 C ATOM 1673 O PHE A 113 -3.664 0.121 -2.008 1.00 1.87 O ATOM 1674 CB PHE A 113 -3.144 3.299 -1.251 1.00 1.52 C ATOM 1675 CG PHE A 113 -2.219 4.440 -0.823 1.00 2.27 C ATOM 1676 CD1 PHE A 113 -1.150 4.775 -1.595 1.00 2.66 C ATOM 1677 CD2 PHE A 113 -2.467 5.120 0.328 1.00 3.83 C ATOM 1678 CE1 PHE A 113 -0.293 5.834 -1.197 1.00 4.20 C ATOM 1679 CE2 PHE A 113 -1.609 6.181 0.725 1.00 5.19 C ATOM 1680 CZ PHE A 113 -0.540 6.515 -0.045 1.00 5.25 C ATOM 0 H PHE A 113 -1.573 0.983 -2.227 1.00 0.89 H new ATOM 0 HA PHE A 113 -2.561 1.920 0.341 1.00 1.17 H new ATOM 0 HB2 PHE A 113 -3.192 3.272 -2.340 1.00 1.52 H new ATOM 0 HB3 PHE A 113 -4.152 3.508 -0.893 1.00 1.52 H new ATOM 0 HD1 PHE A 113 -0.954 4.236 -2.510 1.00 2.66 H new ATOM 0 HD2 PHE A 113 -3.316 4.854 0.940 1.00 3.83 H new ATOM 0 HE1 PHE A 113 0.556 6.100 -1.809 1.00 4.20 H new ATOM 0 HE2 PHE A 113 -1.806 6.722 1.639 1.00 5.19 H new ATOM 0 HZ PHE A 113 0.113 7.320 0.257 1.00 5.25 H new ATOM 1690 N ILE A 114 -4.864 0.944 -0.277 1.00 0.99 N ATOM 1691 CA ILE A 114 -6.077 0.217 -0.612 1.00 0.88 C ATOM 1692 C ILE A 114 -7.173 1.214 -0.998 1.00 0.77 C ATOM 1693 O ILE A 114 -7.532 2.083 -0.206 1.00 1.09 O ATOM 1694 CB ILE A 114 -6.473 -0.722 0.529 1.00 1.19 C ATOM 1695 CG1 ILE A 114 -5.370 -1.744 0.806 1.00 1.45 C ATOM 1696 CG2 ILE A 114 -7.819 -1.392 0.246 1.00 1.37 C ATOM 1697 CD1 ILE A 114 -5.099 -1.866 2.307 1.00 1.52 C ATOM 0 H ILE A 114 -4.909 1.470 0.596 1.00 0.99 H new ATOM 0 HA ILE A 114 -5.910 -0.425 -1.477 1.00 0.88 H new ATOM 0 HB ILE A 114 -6.594 -0.127 1.434 1.00 1.19 H new ATOM 0 HG12 ILE A 114 -5.660 -2.715 0.405 1.00 1.45 H new ATOM 0 HG13 ILE A 114 -4.456 -1.447 0.291 1.00 1.45 H new ATOM 0 HG21 ILE A 114 -8.077 -2.054 1.073 1.00 1.37 H new ATOM 0 HG22 ILE A 114 -8.590 -0.629 0.138 1.00 1.37 H new ATOM 0 HG23 ILE A 114 -7.751 -1.971 -0.675 1.00 1.37 H new ATOM 0 HD11 ILE A 114 -4.310 -2.599 2.476 1.00 1.52 H new ATOM 0 HD12 ILE A 114 -4.785 -0.899 2.700 1.00 1.52 H new ATOM 0 HD13 ILE A 114 -6.008 -2.187 2.816 1.00 1.52 H new ATOM 1709 N CYS A 115 -7.673 1.053 -2.214 1.00 0.66 N ATOM 1710 CA CYS A 115 -8.747 1.902 -2.700 1.00 0.70 C ATOM 1711 C CYS A 115 -10.066 1.392 -2.116 1.00 0.92 C ATOM 1712 O CYS A 115 -10.789 0.642 -2.769 1.00 1.76 O ATOM 1713 CB CYS A 115 -8.781 1.951 -4.228 1.00 0.82 C ATOM 1714 SG CYS A 115 -7.400 2.977 -4.853 1.00 1.74 S ATOM 0 H CYS A 115 -7.354 0.347 -2.877 1.00 0.66 H new ATOM 0 HA CYS A 115 -8.579 2.928 -2.372 1.00 0.70 H new ATOM 0 HB2 CYS A 115 -8.708 0.942 -4.634 1.00 0.82 H new ATOM 0 HB3 CYS A 115 -9.732 2.362 -4.566 1.00 0.82 H new ATOM 0 HG CYS A 115 -7.821 3.720 -5.833 1.00 1.74 H new ATOM 1720 N THR A 116 -10.337 1.819 -0.892 1.00 0.51 N ATOM 1721 CA THR A 116 -11.570 1.439 -0.224 1.00 0.60 C ATOM 1722 C THR A 116 -12.740 2.278 -0.740 1.00 0.52 C ATOM 1723 O THR A 116 -13.404 2.968 0.033 1.00 0.87 O ATOM 1724 CB THR A 116 -11.350 1.567 1.285 1.00 0.81 C ATOM 1725 OG1 THR A 116 -10.240 0.714 1.548 1.00 1.77 O ATOM 1726 CG2 THR A 116 -12.491 0.956 2.099 1.00 1.42 C ATOM 0 H THR A 116 -9.724 2.424 -0.345 1.00 0.51 H new ATOM 0 HA THR A 116 -11.833 0.404 -0.443 1.00 0.60 H new ATOM 0 HB THR A 116 -11.242 2.620 1.547 1.00 0.81 H new ATOM 0 HG1 THR A 116 -9.647 1.141 2.201 1.00 1.77 H new ATOM 0 HG21 THR A 116 -12.283 1.075 3.162 1.00 1.42 H new ATOM 0 HG22 THR A 116 -13.425 1.462 1.853 1.00 1.42 H new ATOM 0 HG23 THR A 116 -12.579 -0.104 1.863 1.00 1.42 H new ATOM 1734 N ALA A 117 -12.956 2.194 -2.045 1.00 0.56 N ATOM 1735 CA ALA A 117 -14.047 2.922 -2.671 1.00 0.49 C ATOM 1736 C ALA A 117 -13.940 2.783 -4.191 1.00 0.56 C ATOM 1737 O ALA A 117 -12.972 2.221 -4.700 1.00 0.72 O ATOM 1738 CB ALA A 117 -14.015 4.382 -2.216 1.00 0.63 C ATOM 0 H ALA A 117 -12.394 1.633 -2.686 1.00 0.56 H new ATOM 0 HA ALA A 117 -15.009 2.508 -2.368 1.00 0.49 H new ATOM 0 HB1 ALA A 117 -14.833 4.928 -2.686 1.00 0.63 H new ATOM 0 HB2 ALA A 117 -14.123 4.428 -1.132 1.00 0.63 H new ATOM 0 HB3 ALA A 117 -13.066 4.832 -2.505 1.00 0.63 H new ATOM 1744 N LYS A 118 -14.948 3.306 -4.873 1.00 0.58 N ATOM 1745 CA LYS A 118 -14.999 3.213 -6.322 1.00 0.71 C ATOM 1746 C LYS A 118 -14.204 4.370 -6.931 1.00 0.74 C ATOM 1747 O LYS A 118 -14.781 5.370 -7.353 1.00 1.27 O ATOM 1748 CB LYS A 118 -16.451 3.144 -6.803 1.00 0.93 C ATOM 1749 CG LYS A 118 -16.553 2.381 -8.127 1.00 1.41 C ATOM 1750 CD LYS A 118 -16.476 3.337 -9.319 1.00 1.68 C ATOM 1751 CE LYS A 118 -17.736 4.200 -9.411 1.00 2.61 C ATOM 1752 NZ LYS A 118 -18.059 4.496 -10.825 1.00 3.66 N ATOM 0 H LYS A 118 -15.736 3.796 -4.449 1.00 0.58 H new ATOM 0 HA LYS A 118 -14.530 2.290 -6.662 1.00 0.71 H new ATOM 0 HB2 LYS A 118 -17.065 2.654 -6.048 1.00 0.93 H new ATOM 0 HB3 LYS A 118 -16.845 4.153 -6.929 1.00 0.93 H new ATOM 0 HG2 LYS A 118 -15.748 1.648 -8.191 1.00 1.41 H new ATOM 0 HG3 LYS A 118 -17.491 1.828 -8.160 1.00 1.41 H new ATOM 0 HD2 LYS A 118 -15.599 3.977 -9.221 1.00 1.68 H new ATOM 0 HD3 LYS A 118 -16.353 2.767 -10.240 1.00 1.68 H new ATOM 0 HE2 LYS A 118 -18.573 3.683 -8.941 1.00 2.61 H new ATOM 0 HE3 LYS A 118 -17.587 5.131 -8.863 1.00 2.61 H new ATOM 0 HZ1 LYS A 118 -18.298 5.503 -10.923 1.00 3.66 H new ATOM 0 HZ2 LYS A 118 -17.237 4.275 -11.422 1.00 3.66 H new ATOM 0 HZ3 LYS A 118 -18.870 3.917 -11.124 1.00 3.66 H new ATOM 1766 N THR A 119 -12.891 4.193 -6.957 1.00 0.57 N ATOM 1767 CA THR A 119 -12.016 5.182 -7.562 1.00 0.56 C ATOM 1768 C THR A 119 -11.860 4.910 -9.060 1.00 0.63 C ATOM 1769 O THR A 119 -11.027 4.100 -9.465 1.00 0.86 O ATOM 1770 CB THR A 119 -10.688 5.168 -6.802 1.00 0.66 C ATOM 1771 OG1 THR A 119 -10.286 3.801 -6.830 1.00 0.80 O ATOM 1772 CG2 THR A 119 -10.864 5.474 -5.313 1.00 0.67 C ATOM 0 H THR A 119 -12.413 3.380 -6.569 1.00 0.57 H new ATOM 0 HA THR A 119 -12.440 6.183 -7.486 1.00 0.56 H new ATOM 0 HB THR A 119 -10.008 5.896 -7.245 1.00 0.66 H new ATOM 0 HG1 THR A 119 -10.464 3.426 -7.718 1.00 0.80 H new ATOM 0 HG21 THR A 119 -9.892 5.452 -4.820 1.00 0.67 H new ATOM 0 HG22 THR A 119 -11.308 6.462 -5.195 1.00 0.67 H new ATOM 0 HG23 THR A 119 -11.517 4.726 -4.863 1.00 0.67 H new ATOM 1780 N GLU A 120 -12.674 5.603 -9.843 1.00 0.64 N ATOM 1781 CA GLU A 120 -12.771 5.315 -11.263 1.00 0.77 C ATOM 1782 C GLU A 120 -11.701 6.090 -12.036 1.00 0.62 C ATOM 1783 O GLU A 120 -11.305 5.686 -13.129 1.00 0.70 O ATOM 1784 CB GLU A 120 -14.171 5.636 -11.794 1.00 1.10 C ATOM 1785 CG GLU A 120 -14.346 5.121 -13.224 1.00 1.97 C ATOM 1786 CD GLU A 120 -15.817 5.164 -13.645 1.00 2.39 C ATOM 1787 OE1 GLU A 120 -16.634 4.562 -12.916 1.00 2.65 O ATOM 1788 OE2 GLU A 120 -16.089 5.798 -14.687 1.00 3.48 O ATOM 0 H GLU A 120 -13.272 6.363 -9.520 1.00 0.64 H new ATOM 0 HA GLU A 120 -12.598 4.249 -11.410 1.00 0.77 H new ATOM 0 HB2 GLU A 120 -14.922 5.184 -11.146 1.00 1.10 H new ATOM 0 HB3 GLU A 120 -14.335 6.713 -11.769 1.00 1.10 H new ATOM 0 HG2 GLU A 120 -13.750 5.726 -13.908 1.00 1.97 H new ATOM 0 HG3 GLU A 120 -13.973 4.099 -13.295 1.00 1.97 H new ATOM 1795 N TRP A 121 -11.264 7.189 -11.439 1.00 0.61 N ATOM 1796 CA TRP A 121 -10.406 8.130 -12.138 1.00 0.69 C ATOM 1797 C TRP A 121 -8.955 7.695 -11.922 1.00 0.67 C ATOM 1798 O TRP A 121 -8.032 8.320 -12.442 1.00 0.80 O ATOM 1799 CB TRP A 121 -10.676 9.563 -11.678 1.00 0.79 C ATOM 1800 CG TRP A 121 -10.288 9.834 -10.223 1.00 0.72 C ATOM 1801 CD1 TRP A 121 -9.120 10.289 -9.751 1.00 0.68 C ATOM 1802 CD2 TRP A 121 -11.125 9.648 -9.062 1.00 0.76 C ATOM 1803 NE1 TRP A 121 -9.141 10.408 -8.377 1.00 0.68 N ATOM 1804 CE2 TRP A 121 -10.399 10.006 -7.944 1.00 0.73 C ATOM 1805 CE3 TRP A 121 -12.451 9.190 -8.959 1.00 0.87 C ATOM 1806 CZ2 TRP A 121 -10.915 9.945 -6.643 1.00 0.83 C ATOM 1807 CZ3 TRP A 121 -12.951 9.136 -7.653 1.00 0.96 C ATOM 1808 CH2 TRP A 121 -12.234 9.493 -6.518 1.00 0.94 C ATOM 0 H TRP A 121 -11.488 7.449 -10.478 1.00 0.61 H new ATOM 0 HA TRP A 121 -10.616 8.124 -13.208 1.00 0.69 H new ATOM 0 HB2 TRP A 121 -10.128 10.250 -12.323 1.00 0.79 H new ATOM 0 HB3 TRP A 121 -11.736 9.781 -11.807 1.00 0.79 H new ATOM 0 HD1 TRP A 121 -8.268 10.532 -10.369 1.00 0.68 H new ATOM 0 HE1 TRP A 121 -8.374 10.732 -7.787 1.00 0.68 H new ATOM 0 HE3 TRP A 121 -13.037 8.903 -9.820 1.00 0.87 H new ATOM 0 HZ2 TRP A 121 -10.327 10.231 -5.783 1.00 0.83 H new ATOM 0 HZ3 TRP A 121 -13.966 8.793 -7.518 1.00 0.96 H new ATOM 0 HH2 TRP A 121 -12.692 9.422 -5.543 1.00 0.94 H new ATOM 1819 N LEU A 122 -8.798 6.628 -11.152 1.00 0.57 N ATOM 1820 CA LEU A 122 -7.482 6.059 -10.920 1.00 0.61 C ATOM 1821 C LEU A 122 -7.336 4.772 -11.735 1.00 0.67 C ATOM 1822 O LEU A 122 -6.239 4.228 -11.855 1.00 0.84 O ATOM 1823 CB LEU A 122 -7.235 5.869 -9.423 1.00 0.62 C ATOM 1824 CG LEU A 122 -7.422 7.112 -8.549 1.00 0.65 C ATOM 1825 CD1 LEU A 122 -7.142 6.797 -7.079 1.00 0.67 C ATOM 1826 CD2 LEU A 122 -6.567 8.274 -9.060 1.00 0.75 C ATOM 0 H LEU A 122 -9.561 6.143 -10.681 1.00 0.57 H new ATOM 0 HA LEU A 122 -6.706 6.744 -11.263 1.00 0.61 H new ATOM 0 HB2 LEU A 122 -7.906 5.090 -9.060 1.00 0.62 H new ATOM 0 HB3 LEU A 122 -6.217 5.503 -9.286 1.00 0.62 H new ATOM 0 HG LEU A 122 -8.464 7.424 -8.617 1.00 0.65 H new ATOM 0 HD11 LEU A 122 -7.282 7.697 -6.481 1.00 0.67 H new ATOM 0 HD12 LEU A 122 -7.828 6.023 -6.736 1.00 0.67 H new ATOM 0 HD13 LEU A 122 -6.116 6.446 -6.971 1.00 0.67 H new ATOM 0 HD21 LEU A 122 -6.718 9.145 -8.422 1.00 0.75 H new ATOM 0 HD22 LEU A 122 -5.515 7.988 -9.041 1.00 0.75 H new ATOM 0 HD23 LEU A 122 -6.858 8.518 -10.082 1.00 0.75 H new ATOM 1838 N ASP A 123 -8.460 4.322 -12.275 1.00 0.68 N ATOM 1839 CA ASP A 123 -8.512 3.017 -12.914 1.00 0.79 C ATOM 1840 C ASP A 123 -7.530 2.988 -14.087 1.00 0.99 C ATOM 1841 O ASP A 123 -6.699 2.087 -14.183 1.00 2.10 O ATOM 1842 CB ASP A 123 -9.912 2.728 -13.460 1.00 0.81 C ATOM 1843 CG ASP A 123 -10.088 1.342 -14.083 1.00 0.96 C ATOM 1844 OD1 ASP A 123 -9.726 1.202 -15.271 1.00 1.72 O ATOM 1845 OD2 ASP A 123 -10.583 0.452 -13.357 1.00 2.28 O ATOM 0 H ASP A 123 -9.340 4.837 -12.283 1.00 0.68 H new ATOM 0 HA ASP A 123 -8.253 2.265 -12.168 1.00 0.79 H new ATOM 0 HB2 ASP A 123 -10.632 2.840 -12.650 1.00 0.81 H new ATOM 0 HB3 ASP A 123 -10.156 3.481 -14.210 1.00 0.81 H new ATOM 1850 N GLY A 124 -7.659 3.986 -14.949 1.00 1.47 N ATOM 1851 CA GLY A 124 -6.862 4.032 -16.163 1.00 1.62 C ATOM 1852 C GLY A 124 -5.649 4.947 -15.987 1.00 1.70 C ATOM 1853 O GLY A 124 -5.468 5.898 -16.747 1.00 2.44 O ATOM 0 H GLY A 124 -8.303 4.768 -14.831 1.00 1.47 H new ATOM 0 HA2 GLY A 124 -6.529 3.027 -16.422 1.00 1.62 H new ATOM 0 HA3 GLY A 124 -7.474 4.389 -16.991 1.00 1.62 H new ATOM 1857 N LYS A 125 -4.847 4.627 -14.982 1.00 1.22 N ATOM 1858 CA LYS A 125 -3.664 5.418 -14.688 1.00 1.27 C ATOM 1859 C LYS A 125 -2.768 4.644 -13.717 1.00 1.19 C ATOM 1860 O LYS A 125 -1.579 4.466 -13.975 1.00 1.45 O ATOM 1861 CB LYS A 125 -4.060 6.807 -14.184 1.00 1.30 C ATOM 1862 CG LYS A 125 -3.142 7.883 -14.766 1.00 1.87 C ATOM 1863 CD LYS A 125 -1.770 7.859 -14.091 1.00 2.98 C ATOM 1864 CE LYS A 125 -1.794 8.637 -12.774 1.00 3.89 C ATOM 1865 NZ LYS A 125 -0.605 8.309 -11.957 1.00 5.37 N ATOM 0 H LYS A 125 -4.993 3.831 -14.361 1.00 1.22 H new ATOM 0 HA LYS A 125 -3.083 5.587 -15.595 1.00 1.27 H new ATOM 0 HB2 LYS A 125 -5.093 7.017 -14.460 1.00 1.30 H new ATOM 0 HB3 LYS A 125 -4.010 6.831 -13.095 1.00 1.30 H new ATOM 0 HG2 LYS A 125 -3.026 7.726 -15.838 1.00 1.87 H new ATOM 0 HG3 LYS A 125 -3.598 8.864 -14.635 1.00 1.87 H new ATOM 0 HD2 LYS A 125 -1.471 6.828 -13.903 1.00 2.98 H new ATOM 0 HD3 LYS A 125 -1.024 8.290 -14.759 1.00 2.98 H new ATOM 0 HE2 LYS A 125 -1.819 9.708 -12.978 1.00 3.89 H new ATOM 0 HE3 LYS A 125 -2.701 8.397 -12.219 1.00 3.89 H new ATOM 0 HZ1 LYS A 125 -0.602 8.895 -11.098 1.00 5.37 H new ATOM 0 HZ2 LYS A 125 -0.633 7.304 -11.690 1.00 5.37 H new ATOM 0 HZ3 LYS A 125 0.257 8.497 -12.508 1.00 5.37 H new ATOM 1879 N HIS A 126 -3.374 4.207 -12.623 1.00 0.98 N ATOM 1880 CA HIS A 126 -2.617 3.609 -11.537 1.00 0.95 C ATOM 1881 C HIS A 126 -2.646 2.085 -11.669 1.00 0.98 C ATOM 1882 O HIS A 126 -3.411 1.542 -12.464 1.00 1.80 O ATOM 1883 CB HIS A 126 -3.133 4.097 -10.182 1.00 0.93 C ATOM 1884 CG HIS A 126 -2.800 5.538 -9.880 1.00 1.05 C ATOM 1885 ND1 HIS A 126 -1.651 5.917 -9.206 1.00 0.94 N ATOM 1886 CD2 HIS A 126 -3.474 6.688 -10.168 1.00 2.34 C ATOM 1887 CE1 HIS A 126 -1.646 7.237 -9.098 1.00 0.84 C ATOM 1888 NE2 HIS A 126 -2.777 7.714 -9.694 1.00 1.94 N ATOM 0 H HIS A 126 -4.381 4.255 -12.465 1.00 0.98 H new ATOM 0 HA HIS A 126 -1.575 3.924 -11.599 1.00 0.95 H new ATOM 0 HB2 HIS A 126 -4.215 3.971 -10.150 1.00 0.93 H new ATOM 0 HB3 HIS A 126 -2.715 3.466 -9.397 1.00 0.93 H new ATOM 0 HD1 HIS A 126 -0.931 5.287 -8.853 1.00 0.94 H new ATOM 0 HD2 HIS A 126 -4.416 6.753 -10.693 1.00 2.34 H new ATOM 0 HE1 HIS A 126 -0.881 7.832 -8.622 1.00 0.84 H new ATOM 1896 N VAL A 127 -1.802 1.438 -10.878 1.00 0.74 N ATOM 1897 CA VAL A 127 -1.570 0.013 -11.038 1.00 0.68 C ATOM 1898 C VAL A 127 -2.199 -0.737 -9.862 1.00 0.68 C ATOM 1899 O VAL A 127 -2.182 -0.253 -8.732 1.00 0.92 O ATOM 1900 CB VAL A 127 -0.071 -0.259 -11.189 1.00 0.76 C ATOM 1901 CG1 VAL A 127 0.252 -1.724 -10.890 1.00 0.89 C ATOM 1902 CG2 VAL A 127 0.420 0.138 -12.582 1.00 0.80 C ATOM 0 H VAL A 127 -1.271 1.875 -10.125 1.00 0.74 H new ATOM 0 HA VAL A 127 -2.046 -0.352 -11.948 1.00 0.68 H new ATOM 0 HB VAL A 127 0.457 0.356 -10.460 1.00 0.76 H new ATOM 0 HG11 VAL A 127 1.323 -1.891 -11.004 1.00 0.89 H new ATOM 0 HG12 VAL A 127 -0.045 -1.961 -9.868 1.00 0.89 H new ATOM 0 HG13 VAL A 127 -0.291 -2.365 -11.584 1.00 0.89 H new ATOM 0 HG21 VAL A 127 1.488 -0.065 -12.663 1.00 0.80 H new ATOM 0 HG22 VAL A 127 -0.117 -0.438 -13.335 1.00 0.80 H new ATOM 0 HG23 VAL A 127 0.240 1.201 -12.742 1.00 0.80 H new ATOM 1912 N VAL A 128 -2.737 -1.908 -10.169 1.00 0.53 N ATOM 1913 CA VAL A 128 -3.216 -2.807 -9.132 1.00 0.58 C ATOM 1914 C VAL A 128 -2.503 -4.154 -9.261 1.00 0.63 C ATOM 1915 O VAL A 128 -2.415 -4.711 -10.354 1.00 0.71 O ATOM 1916 CB VAL A 128 -4.740 -2.927 -9.206 1.00 0.64 C ATOM 1917 CG1 VAL A 128 -5.303 -3.558 -7.931 1.00 0.86 C ATOM 1918 CG2 VAL A 128 -5.385 -1.565 -9.475 1.00 0.55 C ATOM 0 H VAL A 128 -2.852 -2.255 -11.121 1.00 0.53 H new ATOM 0 HA VAL A 128 -2.982 -2.409 -8.144 1.00 0.58 H new ATOM 0 HB VAL A 128 -4.984 -3.584 -10.041 1.00 0.64 H new ATOM 0 HG11 VAL A 128 -6.388 -3.632 -8.010 1.00 0.86 H new ATOM 0 HG12 VAL A 128 -4.880 -4.554 -7.801 1.00 0.86 H new ATOM 0 HG13 VAL A 128 -5.043 -2.938 -7.073 1.00 0.86 H new ATOM 0 HG21 VAL A 128 -6.468 -1.678 -9.523 1.00 0.55 H new ATOM 0 HG22 VAL A 128 -5.128 -0.875 -8.671 1.00 0.55 H new ATOM 0 HG23 VAL A 128 -5.019 -1.170 -10.423 1.00 0.55 H new ATOM 1928 N PHE A 129 -2.013 -4.639 -8.129 1.00 0.71 N ATOM 1929 CA PHE A 129 -1.176 -5.827 -8.125 1.00 0.81 C ATOM 1930 C PHE A 129 -1.507 -6.724 -6.931 1.00 0.76 C ATOM 1931 O PHE A 129 -0.719 -7.597 -6.568 1.00 0.90 O ATOM 1932 CB PHE A 129 0.273 -5.353 -8.005 1.00 1.02 C ATOM 1933 CG PHE A 129 0.583 -4.622 -6.697 1.00 1.73 C ATOM 1934 CD1 PHE A 129 0.357 -3.284 -6.596 1.00 2.79 C ATOM 1935 CD2 PHE A 129 1.084 -5.308 -5.635 1.00 2.79 C ATOM 1936 CE1 PHE A 129 0.644 -2.606 -5.381 1.00 3.61 C ATOM 1937 CE2 PHE A 129 1.371 -4.630 -4.422 1.00 3.59 C ATOM 1938 CZ PHE A 129 1.145 -3.292 -4.320 1.00 3.62 C ATOM 0 H PHE A 129 -2.180 -4.231 -7.209 1.00 0.71 H new ATOM 0 HA PHE A 129 -1.341 -6.402 -9.036 1.00 0.81 H new ATOM 0 HB2 PHE A 129 0.935 -6.215 -8.093 1.00 1.02 H new ATOM 0 HB3 PHE A 129 0.498 -4.691 -8.841 1.00 1.02 H new ATOM 0 HD1 PHE A 129 -0.040 -2.738 -7.439 1.00 2.79 H new ATOM 0 HD2 PHE A 129 1.264 -6.370 -5.715 1.00 2.79 H new ATOM 0 HE1 PHE A 129 0.464 -1.544 -5.300 1.00 3.61 H new ATOM 0 HE2 PHE A 129 1.769 -5.176 -3.579 1.00 3.59 H new ATOM 0 HZ PHE A 129 1.364 -2.776 -3.397 1.00 3.62 H new ATOM 1948 N GLY A 130 -2.675 -6.481 -6.353 1.00 0.69 N ATOM 1949 CA GLY A 130 -3.111 -7.246 -5.198 1.00 0.70 C ATOM 1950 C GLY A 130 -4.597 -7.012 -4.916 1.00 0.58 C ATOM 1951 O GLY A 130 -5.184 -6.054 -5.416 1.00 0.60 O ATOM 0 H GLY A 130 -3.332 -5.765 -6.663 1.00 0.69 H new ATOM 0 HA2 GLY A 130 -2.933 -8.307 -5.371 1.00 0.70 H new ATOM 0 HA3 GLY A 130 -2.522 -6.962 -4.326 1.00 0.70 H new ATOM 1955 N LYS A 131 -5.162 -7.905 -4.116 1.00 0.60 N ATOM 1956 CA LYS A 131 -6.540 -7.752 -3.679 1.00 0.67 C ATOM 1957 C LYS A 131 -6.667 -8.228 -2.231 1.00 0.70 C ATOM 1958 O LYS A 131 -6.036 -9.208 -1.838 1.00 0.89 O ATOM 1959 CB LYS A 131 -7.490 -8.462 -4.646 1.00 0.84 C ATOM 1960 CG LYS A 131 -8.876 -8.639 -4.022 1.00 1.26 C ATOM 1961 CD LYS A 131 -9.889 -9.117 -5.063 1.00 1.62 C ATOM 1962 CE LYS A 131 -10.388 -7.950 -5.918 1.00 3.16 C ATOM 1963 NZ LYS A 131 -11.200 -7.019 -5.101 1.00 4.41 N ATOM 0 H LYS A 131 -4.691 -8.736 -3.759 1.00 0.60 H new ATOM 0 HA LYS A 131 -6.831 -6.702 -3.696 1.00 0.67 H new ATOM 0 HB2 LYS A 131 -7.573 -7.887 -5.568 1.00 0.84 H new ATOM 0 HB3 LYS A 131 -7.081 -9.436 -4.914 1.00 0.84 H new ATOM 0 HG2 LYS A 131 -8.822 -9.359 -3.205 1.00 1.26 H new ATOM 0 HG3 LYS A 131 -9.209 -7.694 -3.593 1.00 1.26 H new ATOM 0 HD2 LYS A 131 -9.430 -9.871 -5.703 1.00 1.62 H new ATOM 0 HD3 LYS A 131 -10.733 -9.593 -4.563 1.00 1.62 H new ATOM 0 HE2 LYS A 131 -9.540 -7.419 -6.350 1.00 3.16 H new ATOM 0 HE3 LYS A 131 -10.984 -8.329 -6.749 1.00 3.16 H new ATOM 0 HZ1 LYS A 131 -11.859 -6.501 -5.717 1.00 4.41 H new ATOM 0 HZ2 LYS A 131 -11.738 -7.558 -4.393 1.00 4.41 H new ATOM 0 HZ3 LYS A 131 -10.573 -6.343 -4.619 1.00 4.41 H new ATOM 1977 N VAL A 132 -7.488 -7.512 -1.476 1.00 0.59 N ATOM 1978 CA VAL A 132 -7.634 -7.791 -0.057 1.00 0.57 C ATOM 1979 C VAL A 132 -8.467 -9.060 0.126 1.00 0.67 C ATOM 1980 O VAL A 132 -9.628 -9.107 -0.276 1.00 0.83 O ATOM 1981 CB VAL A 132 -8.230 -6.575 0.655 1.00 0.59 C ATOM 1982 CG1 VAL A 132 -8.297 -6.803 2.167 1.00 0.64 C ATOM 1983 CG2 VAL A 132 -7.444 -5.305 0.326 1.00 0.72 C ATOM 0 H VAL A 132 -8.059 -6.740 -1.820 1.00 0.59 H new ATOM 0 HA VAL A 132 -6.661 -7.974 0.399 1.00 0.57 H new ATOM 0 HB VAL A 132 -9.249 -6.441 0.291 1.00 0.59 H new ATOM 0 HG11 VAL A 132 -8.724 -5.924 2.649 1.00 0.64 H new ATOM 0 HG12 VAL A 132 -8.922 -7.671 2.377 1.00 0.64 H new ATOM 0 HG13 VAL A 132 -7.293 -6.977 2.554 1.00 0.64 H new ATOM 0 HG21 VAL A 132 -7.890 -4.457 0.845 1.00 0.72 H new ATOM 0 HG22 VAL A 132 -6.409 -5.424 0.647 1.00 0.72 H new ATOM 0 HG23 VAL A 132 -7.472 -5.128 -0.749 1.00 0.72 H new ATOM 1993 N LYS A 133 -7.842 -10.057 0.734 1.00 0.83 N ATOM 1994 CA LYS A 133 -8.527 -11.305 1.022 1.00 0.94 C ATOM 1995 C LYS A 133 -9.374 -11.137 2.284 1.00 0.85 C ATOM 1996 O LYS A 133 -10.594 -11.289 2.244 1.00 1.66 O ATOM 1997 CB LYS A 133 -7.526 -12.460 1.102 1.00 1.19 C ATOM 1998 CG LYS A 133 -8.249 -13.806 1.197 1.00 1.44 C ATOM 1999 CD LYS A 133 -8.321 -14.289 2.647 1.00 2.23 C ATOM 2000 CE LYS A 133 -7.083 -15.110 3.013 1.00 2.87 C ATOM 2001 NZ LYS A 133 -7.229 -15.691 4.367 1.00 4.59 N ATOM 0 H LYS A 133 -6.868 -10.026 1.035 1.00 0.83 H new ATOM 0 HA LYS A 133 -9.209 -11.561 0.211 1.00 0.94 H new ATOM 0 HB2 LYS A 133 -6.882 -12.450 0.222 1.00 1.19 H new ATOM 0 HB3 LYS A 133 -6.881 -12.327 1.970 1.00 1.19 H new ATOM 0 HG2 LYS A 133 -9.256 -13.711 0.791 1.00 1.44 H new ATOM 0 HG3 LYS A 133 -7.729 -14.546 0.589 1.00 1.44 H new ATOM 0 HD2 LYS A 133 -8.405 -13.432 3.316 1.00 2.23 H new ATOM 0 HD3 LYS A 133 -9.217 -14.893 2.789 1.00 2.23 H new ATOM 0 HE2 LYS A 133 -6.938 -15.906 2.283 1.00 2.87 H new ATOM 0 HE3 LYS A 133 -6.196 -14.478 2.976 1.00 2.87 H new ATOM 0 HZ1 LYS A 133 -6.288 -15.853 4.779 1.00 4.59 H new ATOM 0 HZ2 LYS A 133 -7.763 -15.034 4.971 1.00 4.59 H new ATOM 0 HZ3 LYS A 133 -7.739 -16.595 4.304 1.00 4.59 H new ATOM 2015 N GLU A 134 -8.694 -10.825 3.378 1.00 1.12 N ATOM 2016 CA GLU A 134 -9.376 -10.553 4.632 1.00 1.03 C ATOM 2017 C GLU A 134 -8.803 -9.293 5.285 1.00 1.00 C ATOM 2018 O GLU A 134 -7.675 -8.899 4.996 1.00 1.85 O ATOM 2019 CB GLU A 134 -9.284 -11.751 5.578 1.00 1.35 C ATOM 2020 CG GLU A 134 -10.373 -12.780 5.268 1.00 1.74 C ATOM 2021 CD GLU A 134 -10.141 -14.076 6.048 1.00 2.05 C ATOM 2022 OE1 GLU A 134 -9.115 -14.732 5.766 1.00 2.98 O ATOM 2023 OE2 GLU A 134 -10.995 -14.382 6.907 1.00 2.16 O ATOM 0 H GLU A 134 -7.677 -10.755 3.422 1.00 1.12 H new ATOM 0 HA GLU A 134 -10.431 -10.381 4.419 1.00 1.03 H new ATOM 0 HB2 GLU A 134 -8.303 -12.216 5.487 1.00 1.35 H new ATOM 0 HB3 GLU A 134 -9.382 -11.413 6.610 1.00 1.35 H new ATOM 0 HG2 GLU A 134 -11.350 -12.369 5.522 1.00 1.74 H new ATOM 0 HG3 GLU A 134 -10.384 -12.992 4.199 1.00 1.74 H new ATOM 2030 N GLY A 135 -9.608 -8.697 6.152 1.00 0.65 N ATOM 2031 CA GLY A 135 -9.180 -7.514 6.880 1.00 0.61 C ATOM 2032 C GLY A 135 -9.900 -6.265 6.368 1.00 0.63 C ATOM 2033 O GLY A 135 -9.634 -5.157 6.832 1.00 0.86 O ATOM 0 H GLY A 135 -10.554 -9.011 6.367 1.00 0.65 H new ATOM 0 HA2 GLY A 135 -9.382 -7.644 7.943 1.00 0.61 H new ATOM 0 HA3 GLY A 135 -8.103 -7.387 6.773 1.00 0.61 H new ATOM 2037 N MET A 136 -10.796 -6.485 5.418 1.00 0.75 N ATOM 2038 CA MET A 136 -11.587 -5.397 4.867 1.00 1.07 C ATOM 2039 C MET A 136 -12.275 -4.604 5.979 1.00 1.10 C ATOM 2040 O MET A 136 -12.364 -3.379 5.908 1.00 1.20 O ATOM 2041 CB MET A 136 -12.641 -5.962 3.914 1.00 1.37 C ATOM 2042 CG MET A 136 -12.113 -6.011 2.479 1.00 1.45 C ATOM 2043 SD MET A 136 -12.838 -4.694 1.518 1.00 1.67 S ATOM 2044 CE MET A 136 -11.901 -3.306 2.137 1.00 1.14 C ATOM 0 H MET A 136 -10.992 -7.401 5.015 1.00 0.75 H new ATOM 0 HA MET A 136 -10.920 -4.725 4.326 1.00 1.07 H new ATOM 0 HB2 MET A 136 -12.926 -6.964 4.235 1.00 1.37 H new ATOM 0 HB3 MET A 136 -13.540 -5.346 3.954 1.00 1.37 H new ATOM 0 HG2 MET A 136 -11.027 -5.917 2.479 1.00 1.45 H new ATOM 0 HG3 MET A 136 -12.350 -6.975 2.028 1.00 1.45 H new ATOM 0 HE1 MET A 136 -12.126 -2.421 1.542 1.00 1.14 H new ATOM 0 HE2 MET A 136 -12.168 -3.122 3.178 1.00 1.14 H new ATOM 0 HE3 MET A 136 -10.836 -3.527 2.070 1.00 1.14 H new ATOM 2054 N ASN A 137 -12.745 -5.334 6.980 1.00 1.06 N ATOM 2055 CA ASN A 137 -13.452 -4.717 8.089 1.00 1.14 C ATOM 2056 C ASN A 137 -12.485 -3.829 8.875 1.00 1.12 C ATOM 2057 O ASN A 137 -12.877 -2.783 9.389 1.00 1.25 O ATOM 2058 CB ASN A 137 -14.006 -5.774 9.047 1.00 1.10 C ATOM 2059 CG ASN A 137 -12.899 -6.717 9.521 1.00 1.95 C ATOM 2060 OD1 ASN A 137 -12.106 -7.225 8.745 1.00 3.39 O ATOM 2061 ND2 ASN A 137 -12.889 -6.922 10.835 1.00 2.43 N ATOM 0 H ASN A 137 -12.650 -6.347 7.046 1.00 1.06 H new ATOM 0 HA ASN A 137 -14.277 -4.134 7.679 1.00 1.14 H new ATOM 0 HB2 ASN A 137 -14.466 -5.286 9.906 1.00 1.10 H new ATOM 0 HB3 ASN A 137 -14.788 -6.347 8.549 1.00 1.10 H new ATOM 0 HD21 ASN A 137 -12.188 -7.536 11.250 1.00 2.43 H new ATOM 0 HD22 ASN A 137 -13.582 -6.465 11.428 1.00 2.43 H new ATOM 2068 N ILE A 138 -11.241 -4.278 8.941 1.00 0.99 N ATOM 2069 CA ILE A 138 -10.214 -3.537 9.655 1.00 1.03 C ATOM 2070 C ILE A 138 -9.901 -2.247 8.894 1.00 1.17 C ATOM 2071 O ILE A 138 -9.712 -1.194 9.503 1.00 1.38 O ATOM 2072 CB ILE A 138 -8.989 -4.419 9.899 1.00 0.92 C ATOM 2073 CG1 ILE A 138 -9.366 -5.677 10.687 1.00 1.03 C ATOM 2074 CG2 ILE A 138 -7.871 -3.630 10.581 1.00 1.04 C ATOM 2075 CD1 ILE A 138 -10.007 -5.311 12.028 1.00 1.02 C ATOM 0 H ILE A 138 -10.920 -5.146 8.512 1.00 0.99 H new ATOM 0 HA ILE A 138 -10.571 -3.247 10.643 1.00 1.03 H new ATOM 0 HB ILE A 138 -8.607 -4.747 8.932 1.00 0.92 H new ATOM 0 HG12 ILE A 138 -10.058 -6.283 10.102 1.00 1.03 H new ATOM 0 HG13 ILE A 138 -8.477 -6.284 10.858 1.00 1.03 H new ATOM 0 HG21 ILE A 138 -7.012 -4.281 10.743 1.00 1.04 H new ATOM 0 HG22 ILE A 138 -7.577 -2.793 9.947 1.00 1.04 H new ATOM 0 HG23 ILE A 138 -8.225 -3.252 11.540 1.00 1.04 H new ATOM 0 HD11 ILE A 138 -10.266 -6.222 12.568 1.00 1.02 H new ATOM 0 HD12 ILE A 138 -9.304 -4.725 12.620 1.00 1.02 H new ATOM 0 HD13 ILE A 138 -10.909 -4.725 11.852 1.00 1.02 H new ATOM 2087 N VAL A 139 -9.857 -2.370 7.576 1.00 1.09 N ATOM 2088 CA VAL A 139 -9.586 -1.223 6.726 1.00 1.19 C ATOM 2089 C VAL A 139 -10.762 -0.249 6.801 1.00 1.42 C ATOM 2090 O VAL A 139 -10.567 0.965 6.836 1.00 1.60 O ATOM 2091 CB VAL A 139 -9.285 -1.688 5.300 1.00 1.04 C ATOM 2092 CG1 VAL A 139 -9.168 -0.496 4.348 1.00 1.14 C ATOM 2093 CG2 VAL A 139 -8.021 -2.550 5.259 1.00 0.90 C ATOM 0 H VAL A 139 -10.004 -3.246 7.075 1.00 1.09 H new ATOM 0 HA VAL A 139 -8.701 -0.691 7.074 1.00 1.19 H new ATOM 0 HB VAL A 139 -10.120 -2.303 4.965 1.00 1.04 H new ATOM 0 HG11 VAL A 139 -8.954 -0.854 3.341 1.00 1.14 H new ATOM 0 HG12 VAL A 139 -10.106 0.060 4.344 1.00 1.14 H new ATOM 0 HG13 VAL A 139 -8.361 0.157 4.680 1.00 1.14 H new ATOM 0 HG21 VAL A 139 -7.830 -2.867 4.234 1.00 0.90 H new ATOM 0 HG22 VAL A 139 -7.173 -1.970 5.623 1.00 0.90 H new ATOM 0 HG23 VAL A 139 -8.158 -3.428 5.891 1.00 0.90 H new ATOM 2103 N GLU A 140 -11.959 -0.817 6.824 1.00 1.45 N ATOM 2104 CA GLU A 140 -13.169 -0.013 6.865 1.00 1.72 C ATOM 2105 C GLU A 140 -13.234 0.784 8.170 1.00 1.87 C ATOM 2106 O GLU A 140 -13.692 1.925 8.182 1.00 2.14 O ATOM 2107 CB GLU A 140 -14.413 -0.886 6.693 1.00 1.75 C ATOM 2108 CG GLU A 140 -15.518 -0.126 5.956 1.00 2.08 C ATOM 2109 CD GLU A 140 -15.617 -0.581 4.498 1.00 3.45 C ATOM 2110 OE1 GLU A 140 -14.615 -0.392 3.775 1.00 4.29 O ATOM 2111 OE2 GLU A 140 -16.693 -1.108 4.139 1.00 4.63 O ATOM 0 H GLU A 140 -12.117 -1.825 6.815 1.00 1.45 H new ATOM 0 HA GLU A 140 -13.142 0.691 6.034 1.00 1.72 H new ATOM 0 HB2 GLU A 140 -14.155 -1.788 6.138 1.00 1.75 H new ATOM 0 HB3 GLU A 140 -14.776 -1.205 7.670 1.00 1.75 H new ATOM 0 HG2 GLU A 140 -16.472 -0.288 6.457 1.00 2.08 H new ATOM 0 HG3 GLU A 140 -15.316 0.944 5.994 1.00 2.08 H new ATOM 2118 N ALA A 141 -12.769 0.150 9.236 1.00 1.73 N ATOM 2119 CA ALA A 141 -12.737 0.797 10.536 1.00 1.88 C ATOM 2120 C ALA A 141 -11.649 1.873 10.539 1.00 1.87 C ATOM 2121 O ALA A 141 -11.854 2.967 11.063 1.00 1.98 O ATOM 2122 CB ALA A 141 -12.520 -0.255 11.625 1.00 1.93 C ATOM 0 H ALA A 141 -12.411 -0.805 9.226 1.00 1.73 H new ATOM 0 HA ALA A 141 -13.687 1.289 10.743 1.00 1.88 H new ATOM 0 HB1 ALA A 141 -12.496 0.231 12.600 1.00 1.93 H new ATOM 0 HB2 ALA A 141 -13.335 -0.978 11.600 1.00 1.93 H new ATOM 0 HB3 ALA A 141 -11.574 -0.768 11.452 1.00 1.93 H new ATOM 2128 N MET A 142 -10.516 1.524 9.949 1.00 1.77 N ATOM 2129 CA MET A 142 -9.391 2.442 9.886 1.00 1.78 C ATOM 2130 C MET A 142 -9.770 3.724 9.140 1.00 1.79 C ATOM 2131 O MET A 142 -9.238 4.794 9.428 1.00 1.82 O ATOM 2132 CB MET A 142 -8.218 1.766 9.174 1.00 1.82 C ATOM 2133 CG MET A 142 -6.949 2.616 9.278 1.00 1.51 C ATOM 2134 SD MET A 142 -5.506 1.581 9.109 1.00 1.37 S ATOM 2135 CE MET A 142 -5.703 1.046 7.418 1.00 1.81 C ATOM 0 H MET A 142 -10.352 0.618 9.510 1.00 1.77 H new ATOM 0 HA MET A 142 -9.106 2.706 10.904 1.00 1.78 H new ATOM 0 HB2 MET A 142 -8.039 0.784 9.612 1.00 1.82 H new ATOM 0 HB3 MET A 142 -8.468 1.606 8.125 1.00 1.82 H new ATOM 0 HG2 MET A 142 -6.950 3.382 8.503 1.00 1.51 H new ATOM 0 HG3 MET A 142 -6.925 3.133 10.237 1.00 1.51 H new ATOM 0 HE1 MET A 142 -4.791 0.551 7.084 1.00 1.81 H new ATOM 0 HE2 MET A 142 -6.539 0.350 7.352 1.00 1.81 H new ATOM 0 HE3 MET A 142 -5.899 1.910 6.783 1.00 1.81 H new ATOM 2145 N GLU A 143 -10.688 3.571 8.197 1.00 1.81 N ATOM 2146 CA GLU A 143 -11.067 4.679 7.335 1.00 1.83 C ATOM 2147 C GLU A 143 -11.619 5.836 8.170 1.00 1.66 C ATOM 2148 O GLU A 143 -11.360 7.001 7.871 1.00 1.64 O ATOM 2149 CB GLU A 143 -12.080 4.231 6.281 1.00 1.98 C ATOM 2150 CG GLU A 143 -13.503 4.623 6.686 1.00 3.28 C ATOM 2151 CD GLU A 143 -14.529 4.060 5.701 1.00 3.67 C ATOM 2152 OE1 GLU A 143 -14.227 4.091 4.489 1.00 3.50 O ATOM 2153 OE2 GLU A 143 -15.592 3.612 6.183 1.00 4.74 O ATOM 0 H GLU A 143 -11.180 2.697 8.011 1.00 1.81 H new ATOM 0 HA GLU A 143 -10.177 5.028 6.811 1.00 1.83 H new ATOM 0 HB2 GLU A 143 -11.834 4.683 5.320 1.00 1.98 H new ATOM 0 HB3 GLU A 143 -12.020 3.151 6.150 1.00 1.98 H new ATOM 0 HG2 GLU A 143 -13.715 4.252 7.689 1.00 3.28 H new ATOM 0 HG3 GLU A 143 -13.588 5.709 6.724 1.00 3.28 H new ATOM 2160 N ARG A 144 -12.369 5.475 9.201 1.00 1.65 N ATOM 2161 CA ARG A 144 -13.105 6.462 9.973 1.00 1.71 C ATOM 2162 C ARG A 144 -12.350 6.799 11.261 1.00 1.51 C ATOM 2163 O ARG A 144 -12.950 7.253 12.234 1.00 1.63 O ATOM 2164 CB ARG A 144 -14.503 5.951 10.328 1.00 2.47 C ATOM 2165 CG ARG A 144 -14.430 4.595 11.031 1.00 2.00 C ATOM 2166 CD ARG A 144 -15.807 4.167 11.543 1.00 2.67 C ATOM 2167 NE ARG A 144 -16.128 2.807 11.057 1.00 3.65 N ATOM 2168 CZ ARG A 144 -16.222 2.475 9.762 1.00 4.81 C ATOM 2169 NH1 ARG A 144 -16.336 3.432 8.831 1.00 5.34 N ATOM 2170 NH2 ARG A 144 -16.203 1.186 9.398 1.00 6.18 N ATOM 0 H ARG A 144 -12.483 4.513 9.520 1.00 1.65 H new ATOM 0 HA ARG A 144 -13.202 7.358 9.360 1.00 1.71 H new ATOM 0 HB2 ARG A 144 -15.005 6.672 10.973 1.00 2.47 H new ATOM 0 HB3 ARG A 144 -15.103 5.863 9.422 1.00 2.47 H new ATOM 0 HG2 ARG A 144 -14.045 3.844 10.341 1.00 2.00 H new ATOM 0 HG3 ARG A 144 -13.730 4.651 11.864 1.00 2.00 H new ATOM 0 HD2 ARG A 144 -15.821 4.185 12.633 1.00 2.67 H new ATOM 0 HD3 ARG A 144 -16.566 4.872 11.203 1.00 2.67 H new ATOM 0 HE ARG A 144 -16.288 2.077 11.751 1.00 3.65 H new ATOM 0 HH11 ARG A 144 -16.351 4.414 9.108 1.00 5.34 H new ATOM 0 HH12 ARG A 144 -16.407 3.179 7.846 1.00 5.34 H new ATOM 0 HH21 ARG A 144 -16.117 0.457 10.106 1.00 6.18 H new ATOM 0 HH22 ARG A 144 -16.275 0.933 8.412 1.00 6.18 H new ATOM 2184 N PHE A 145 -11.047 6.563 11.225 1.00 1.56 N ATOM 2185 CA PHE A 145 -10.164 7.081 12.255 1.00 1.51 C ATOM 2186 C PHE A 145 -8.989 7.843 11.638 1.00 1.28 C ATOM 2187 O PHE A 145 -7.947 8.003 12.272 1.00 1.58 O ATOM 2188 CB PHE A 145 -9.626 5.877 13.030 1.00 1.84 C ATOM 2189 CG PHE A 145 -10.693 5.121 13.822 1.00 2.54 C ATOM 2190 CD1 PHE A 145 -11.512 5.793 14.675 1.00 3.36 C ATOM 2191 CD2 PHE A 145 -10.822 3.774 13.676 1.00 3.28 C ATOM 2192 CE1 PHE A 145 -12.503 5.090 15.410 1.00 4.04 C ATOM 2193 CE2 PHE A 145 -11.812 3.071 14.412 1.00 3.94 C ATOM 2194 CZ PHE A 145 -12.632 3.744 15.263 1.00 4.01 C ATOM 0 H PHE A 145 -10.582 6.020 10.498 1.00 1.56 H new ATOM 0 HA PHE A 145 -10.709 7.769 12.901 1.00 1.51 H new ATOM 0 HB2 PHE A 145 -9.152 5.189 12.330 1.00 1.84 H new ATOM 0 HB3 PHE A 145 -8.851 6.217 13.717 1.00 1.84 H new ATOM 0 HD1 PHE A 145 -11.409 6.862 14.793 1.00 3.36 H new ATOM 0 HD2 PHE A 145 -10.171 3.240 13.000 1.00 3.28 H new ATOM 0 HE1 PHE A 145 -13.154 5.624 16.086 1.00 4.04 H new ATOM 0 HE2 PHE A 145 -11.914 2.002 14.296 1.00 3.94 H new ATOM 0 HZ PHE A 145 -13.386 3.210 15.822 1.00 4.01 H new ATOM 2204 N GLY A 146 -9.196 8.292 10.409 1.00 1.17 N ATOM 2205 CA GLY A 146 -8.166 9.033 9.700 1.00 1.03 C ATOM 2206 C GLY A 146 -8.640 10.449 9.368 1.00 1.17 C ATOM 2207 O GLY A 146 -9.636 10.919 9.916 1.00 1.67 O ATOM 0 H GLY A 146 -10.061 8.157 9.886 1.00 1.17 H new ATOM 0 HA2 GLY A 146 -7.263 9.081 10.309 1.00 1.03 H new ATOM 0 HA3 GLY A 146 -7.903 8.509 8.781 1.00 1.03 H new ATOM 2211 N SER A 147 -7.905 11.090 8.471 1.00 1.38 N ATOM 2212 CA SER A 147 -8.176 12.478 8.135 1.00 1.86 C ATOM 2213 C SER A 147 -7.234 12.940 7.021 1.00 2.60 C ATOM 2214 O SER A 147 -6.305 12.224 6.653 1.00 3.58 O ATOM 2215 CB SER A 147 -8.028 13.380 9.363 1.00 1.98 C ATOM 2216 OG SER A 147 -7.982 14.760 9.008 1.00 3.47 O ATOM 0 H SER A 147 -7.122 10.674 7.967 1.00 1.38 H new ATOM 0 HA SER A 147 -9.206 12.551 7.785 1.00 1.86 H new ATOM 0 HB2 SER A 147 -8.863 13.208 10.042 1.00 1.98 H new ATOM 0 HB3 SER A 147 -7.119 13.113 9.902 1.00 1.98 H new ATOM 0 HG SER A 147 -7.889 15.303 9.818 1.00 3.47 H new ATOM 2222 N ARG A 148 -7.508 14.134 6.516 1.00 2.68 N ATOM 2223 CA ARG A 148 -6.749 14.664 5.397 1.00 3.55 C ATOM 2224 C ARG A 148 -5.431 15.269 5.889 1.00 3.36 C ATOM 2225 O ARG A 148 -4.581 15.649 5.086 1.00 3.94 O ATOM 2226 CB ARG A 148 -7.545 15.736 4.649 1.00 4.35 C ATOM 2227 CG ARG A 148 -7.596 17.039 5.450 1.00 4.21 C ATOM 2228 CD ARG A 148 -8.600 18.019 4.838 1.00 5.04 C ATOM 2229 NE ARG A 148 -8.625 19.273 5.623 1.00 5.79 N ATOM 2230 CZ ARG A 148 -9.389 19.464 6.708 1.00 5.97 C ATOM 2231 NH1 ARG A 148 -10.078 18.441 7.231 1.00 5.66 N ATOM 2232 NH2 ARG A 148 -9.464 20.678 7.269 1.00 7.24 N ATOM 0 H ARG A 148 -8.245 14.749 6.861 1.00 2.68 H new ATOM 0 HA ARG A 148 -6.543 13.838 4.716 1.00 3.55 H new ATOM 0 HB2 ARG A 148 -7.089 15.920 3.676 1.00 4.35 H new ATOM 0 HB3 ARG A 148 -8.558 15.379 4.464 1.00 4.35 H new ATOM 0 HG2 ARG A 148 -7.874 16.825 6.482 1.00 4.21 H new ATOM 0 HG3 ARG A 148 -6.606 17.494 5.474 1.00 4.21 H new ATOM 0 HD2 ARG A 148 -8.328 18.233 3.804 1.00 5.04 H new ATOM 0 HD3 ARG A 148 -9.594 17.571 4.821 1.00 5.04 H new ATOM 0 HE ARG A 148 -8.024 20.039 5.320 1.00 5.79 H new ATOM 0 HH11 ARG A 148 -10.021 17.517 6.804 1.00 5.66 H new ATOM 0 HH12 ARG A 148 -10.659 18.587 8.056 1.00 5.66 H new ATOM 0 HH21 ARG A 148 -8.940 21.457 6.871 1.00 7.24 H new ATOM 0 HH22 ARG A 148 -10.045 20.823 8.094 1.00 7.24 H new ATOM 2246 N ASN A 149 -5.304 15.337 7.206 1.00 2.83 N ATOM 2247 CA ASN A 149 -4.138 15.956 7.814 1.00 3.09 C ATOM 2248 C ASN A 149 -2.927 15.038 7.633 1.00 3.16 C ATOM 2249 O ASN A 149 -1.794 15.445 7.882 1.00 3.80 O ATOM 2250 CB ASN A 149 -4.348 16.171 9.314 1.00 3.13 C ATOM 2251 CG ASN A 149 -4.610 14.843 10.028 1.00 2.92 C ATOM 2252 OD1 ASN A 149 -4.833 13.812 9.414 1.00 3.29 O ATOM 2253 ND2 ASN A 149 -4.571 14.925 11.354 1.00 3.23 N ATOM 0 H ASN A 149 -5.989 14.974 7.869 1.00 2.83 H new ATOM 0 HA ASN A 149 -3.977 16.920 7.331 1.00 3.09 H new ATOM 0 HB2 ASN A 149 -3.468 16.651 9.743 1.00 3.13 H new ATOM 0 HB3 ASN A 149 -5.189 16.846 9.474 1.00 3.13 H new ATOM 0 HD21 ASN A 149 -4.733 14.093 11.921 1.00 3.23 H new ATOM 0 HD22 ASN A 149 -4.379 15.820 11.804 1.00 3.23 H new ATOM 2260 N GLY A 150 -3.208 13.818 7.201 1.00 2.76 N ATOM 2261 CA GLY A 150 -2.153 12.849 6.955 1.00 3.01 C ATOM 2262 C GLY A 150 -1.767 12.121 8.245 1.00 2.71 C ATOM 2263 O GLY A 150 -0.625 11.695 8.403 1.00 3.44 O ATOM 0 H GLY A 150 -4.151 13.478 7.015 1.00 2.76 H new ATOM 0 HA2 GLY A 150 -2.485 12.126 6.210 1.00 3.01 H new ATOM 0 HA3 GLY A 150 -1.279 13.354 6.542 1.00 3.01 H new ATOM 2267 N LYS A 151 -2.744 12.000 9.133 1.00 2.10 N ATOM 2268 CA LYS A 151 -2.547 11.254 10.364 1.00 2.19 C ATOM 2269 C LYS A 151 -3.842 10.522 10.724 1.00 1.72 C ATOM 2270 O LYS A 151 -4.912 10.863 10.222 1.00 2.19 O ATOM 2271 CB LYS A 151 -2.033 12.173 11.472 1.00 3.02 C ATOM 2272 CG LYS A 151 -0.515 12.058 11.620 1.00 2.94 C ATOM 2273 CD LYS A 151 0.125 13.436 11.805 1.00 3.41 C ATOM 2274 CE LYS A 151 0.208 14.185 10.474 1.00 3.27 C ATOM 2275 NZ LYS A 151 1.153 13.511 9.557 1.00 3.66 N ATOM 0 H LYS A 151 -3.673 12.406 9.024 1.00 2.10 H new ATOM 0 HA LYS A 151 -1.777 10.495 10.229 1.00 2.19 H new ATOM 0 HB2 LYS A 151 -2.303 13.205 11.248 1.00 3.02 H new ATOM 0 HB3 LYS A 151 -2.514 11.915 12.415 1.00 3.02 H new ATOM 0 HG2 LYS A 151 -0.276 11.425 12.475 1.00 2.94 H new ATOM 0 HG3 LYS A 151 -0.096 11.574 10.738 1.00 2.94 H new ATOM 0 HD2 LYS A 151 -0.458 14.019 12.519 1.00 3.41 H new ATOM 0 HD3 LYS A 151 1.124 13.323 12.226 1.00 3.41 H new ATOM 0 HE2 LYS A 151 -0.780 14.234 10.016 1.00 3.27 H new ATOM 0 HE3 LYS A 151 0.530 15.212 10.647 1.00 3.27 H new ATOM 0 HZ1 LYS A 151 1.510 14.197 8.861 1.00 3.66 H new ATOM 0 HZ2 LYS A 151 1.949 13.124 10.102 1.00 3.66 H new ATOM 0 HZ3 LYS A 151 0.664 12.738 9.062 1.00 3.66 H new ATOM 2289 N THR A 152 -3.703 9.530 11.590 1.00 1.84 N ATOM 2290 CA THR A 152 -4.827 8.682 11.944 1.00 1.98 C ATOM 2291 C THR A 152 -4.662 8.141 13.366 1.00 3.23 C ATOM 2292 O THR A 152 -3.551 7.818 13.786 1.00 4.45 O ATOM 2293 CB THR A 152 -4.942 7.582 10.886 1.00 2.60 C ATOM 2294 OG1 THR A 152 -5.497 6.476 11.593 1.00 4.30 O ATOM 2295 CG2 THR A 152 -3.577 7.076 10.417 1.00 2.11 C ATOM 0 H THR A 152 -2.828 9.294 12.058 1.00 1.84 H new ATOM 0 HA THR A 152 -5.760 9.246 11.951 1.00 1.98 H new ATOM 0 HB THR A 152 -5.503 7.959 10.031 1.00 2.60 H new ATOM 0 HG1 THR A 152 -6.367 6.729 11.965 1.00 4.30 H new ATOM 0 HG21 THR A 152 -3.716 6.297 9.667 1.00 2.11 H new ATOM 0 HG22 THR A 152 -3.013 7.901 9.983 1.00 2.11 H new ATOM 0 HG23 THR A 152 -3.029 6.668 11.266 1.00 2.11 H new ATOM 2303 N SER A 153 -5.782 8.058 14.068 1.00 3.25 N ATOM 2304 CA SER A 153 -5.781 7.524 15.419 1.00 4.51 C ATOM 2305 C SER A 153 -4.413 7.745 16.068 1.00 3.60 C ATOM 2306 O SER A 153 -3.764 6.790 16.496 1.00 4.96 O ATOM 2307 CB SER A 153 -6.138 6.036 15.424 1.00 6.21 C ATOM 2308 OG SER A 153 -5.176 5.255 14.721 1.00 7.01 O ATOM 0 H SER A 153 -6.697 8.352 13.726 1.00 3.25 H new ATOM 0 HA SER A 153 -6.539 8.053 15.996 1.00 4.51 H new ATOM 0 HB2 SER A 153 -6.209 5.684 16.453 1.00 6.21 H new ATOM 0 HB3 SER A 153 -7.119 5.897 14.971 1.00 6.21 H new ATOM 0 HG SER A 153 -4.287 5.409 15.103 1.00 7.01 H new ATOM 2314 N LYS A 154 -4.014 9.006 16.120 1.00 1.76 N ATOM 2315 CA LYS A 154 -2.743 9.366 16.725 1.00 1.15 C ATOM 2316 C LYS A 154 -1.604 8.744 15.914 1.00 1.25 C ATOM 2317 O LYS A 154 -1.019 9.400 15.054 1.00 1.66 O ATOM 2318 CB LYS A 154 -2.726 8.979 18.206 1.00 1.45 C ATOM 2319 CG LYS A 154 -3.667 9.873 19.015 1.00 2.44 C ATOM 2320 CD LYS A 154 -4.978 9.148 19.328 1.00 2.37 C ATOM 2321 CE LYS A 154 -5.935 10.057 20.101 1.00 3.06 C ATOM 2322 NZ LYS A 154 -5.418 10.315 21.464 1.00 4.39 N ATOM 0 H LYS A 154 -4.549 9.793 15.753 1.00 1.76 H new ATOM 0 HA LYS A 154 -2.601 10.446 16.700 1.00 1.15 H new ATOM 0 HB2 LYS A 154 -3.024 7.936 18.317 1.00 1.45 H new ATOM 0 HB3 LYS A 154 -1.712 9.064 18.597 1.00 1.45 H new ATOM 0 HG2 LYS A 154 -3.182 10.171 19.944 1.00 2.44 H new ATOM 0 HG3 LYS A 154 -3.876 10.786 18.457 1.00 2.44 H new ATOM 0 HD2 LYS A 154 -5.449 8.823 18.400 1.00 2.37 H new ATOM 0 HD3 LYS A 154 -4.771 8.251 19.912 1.00 2.37 H new ATOM 0 HE2 LYS A 154 -6.060 11.000 19.569 1.00 3.06 H new ATOM 0 HE3 LYS A 154 -6.919 9.592 20.161 1.00 3.06 H new ATOM 0 HZ1 LYS A 154 -6.151 10.788 22.030 1.00 4.39 H new ATOM 0 HZ2 LYS A 154 -5.161 9.413 21.914 1.00 4.39 H new ATOM 0 HZ3 LYS A 154 -4.578 10.925 21.407 1.00 4.39 H new ATOM 2336 N LYS A 155 -1.322 7.485 16.218 1.00 1.06 N ATOM 2337 CA LYS A 155 -0.164 6.819 15.647 1.00 1.14 C ATOM 2338 C LYS A 155 -0.524 5.365 15.329 1.00 1.10 C ATOM 2339 O LYS A 155 -0.624 4.536 16.231 1.00 1.28 O ATOM 2340 CB LYS A 155 1.047 6.965 16.568 1.00 1.24 C ATOM 2341 CG LYS A 155 1.393 8.439 16.790 1.00 2.08 C ATOM 2342 CD LYS A 155 2.657 8.584 17.640 1.00 2.41 C ATOM 2343 CE LYS A 155 2.305 8.897 19.096 1.00 3.52 C ATOM 2344 NZ LYS A 155 1.692 7.716 19.745 1.00 4.49 N ATOM 0 H LYS A 155 -1.876 6.909 16.852 1.00 1.06 H new ATOM 0 HA LYS A 155 0.122 7.291 14.707 1.00 1.14 H new ATOM 0 HB2 LYS A 155 0.839 6.488 17.526 1.00 1.24 H new ATOM 0 HB3 LYS A 155 1.903 6.448 16.134 1.00 1.24 H new ATOM 0 HG2 LYS A 155 1.539 8.931 15.828 1.00 2.08 H new ATOM 0 HG3 LYS A 155 0.560 8.942 17.282 1.00 2.08 H new ATOM 0 HD2 LYS A 155 3.239 7.664 17.593 1.00 2.41 H new ATOM 0 HD3 LYS A 155 3.283 9.379 17.234 1.00 2.41 H new ATOM 0 HE2 LYS A 155 3.203 9.192 19.638 1.00 3.52 H new ATOM 0 HE3 LYS A 155 1.616 9.741 19.137 1.00 3.52 H new ATOM 0 HZ1 LYS A 155 1.707 7.840 20.777 1.00 4.49 H new ATOM 0 HZ2 LYS A 155 0.708 7.614 19.423 1.00 4.49 H new ATOM 0 HZ3 LYS A 155 2.229 6.862 19.491 1.00 4.49 H new ATOM 2358 N ILE A 156 -0.707 5.102 14.043 1.00 1.15 N ATOM 2359 CA ILE A 156 -0.858 3.735 13.574 1.00 1.12 C ATOM 2360 C ILE A 156 0.525 3.137 13.306 1.00 1.14 C ATOM 2361 O ILE A 156 1.190 3.511 12.343 1.00 1.40 O ATOM 2362 CB ILE A 156 -1.795 3.685 12.365 1.00 1.22 C ATOM 2363 CG1 ILE A 156 -3.198 4.169 12.738 1.00 1.51 C ATOM 2364 CG2 ILE A 156 -1.817 2.285 11.748 1.00 1.62 C ATOM 2365 CD1 ILE A 156 -4.233 3.683 11.722 1.00 1.86 C ATOM 0 H ILE A 156 -0.754 5.812 13.312 1.00 1.15 H new ATOM 0 HA ILE A 156 -1.329 3.118 14.340 1.00 1.12 H new ATOM 0 HB ILE A 156 -1.411 4.366 11.606 1.00 1.22 H new ATOM 0 HG12 ILE A 156 -3.460 3.805 13.732 1.00 1.51 H new ATOM 0 HG13 ILE A 156 -3.211 5.258 12.783 1.00 1.51 H new ATOM 0 HG21 ILE A 156 -2.490 2.276 10.891 1.00 1.62 H new ATOM 0 HG22 ILE A 156 -0.812 2.015 11.423 1.00 1.62 H new ATOM 0 HG23 ILE A 156 -2.164 1.566 12.490 1.00 1.62 H new ATOM 0 HD11 ILE A 156 -5.222 4.041 12.010 1.00 1.86 H new ATOM 0 HD12 ILE A 156 -3.982 4.068 10.734 1.00 1.86 H new ATOM 0 HD13 ILE A 156 -4.234 2.593 11.697 1.00 1.86 H new ATOM 2377 N THR A 157 0.915 2.217 14.176 1.00 1.16 N ATOM 2378 CA THR A 157 2.233 1.613 14.086 1.00 1.34 C ATOM 2379 C THR A 157 2.131 0.192 13.525 1.00 1.10 C ATOM 2380 O THR A 157 1.081 -0.442 13.620 1.00 0.85 O ATOM 2381 CB THR A 157 2.878 1.673 15.472 1.00 1.72 C ATOM 2382 OG1 THR A 157 1.779 1.547 16.371 1.00 1.89 O ATOM 2383 CG2 THR A 157 3.461 3.053 15.786 1.00 1.82 C ATOM 0 H THR A 157 0.341 1.875 14.947 1.00 1.16 H new ATOM 0 HA THR A 157 2.871 2.159 13.391 1.00 1.34 H new ATOM 0 HB THR A 157 3.665 0.922 15.540 1.00 1.72 H new ATOM 0 HG1 THR A 157 1.175 0.844 16.053 1.00 1.89 H new ATOM 0 HG21 THR A 157 3.907 3.042 16.781 1.00 1.82 H new ATOM 0 HG22 THR A 157 4.225 3.302 15.049 1.00 1.82 H new ATOM 0 HG23 THR A 157 2.667 3.799 15.752 1.00 1.82 H new ATOM 2391 N ILE A 158 3.235 -0.265 12.954 1.00 1.32 N ATOM 2392 CA ILE A 158 3.286 -1.601 12.386 1.00 1.10 C ATOM 2393 C ILE A 158 3.851 -2.572 13.425 1.00 1.09 C ATOM 2394 O ILE A 158 4.987 -2.418 13.871 1.00 1.29 O ATOM 2395 CB ILE A 158 4.061 -1.594 11.067 1.00 1.24 C ATOM 2396 CG1 ILE A 158 3.522 -0.519 10.121 1.00 1.65 C ATOM 2397 CG2 ILE A 158 4.057 -2.981 10.421 1.00 0.97 C ATOM 2398 CD1 ILE A 158 4.320 -0.487 8.816 1.00 2.09 C ATOM 0 H ILE A 158 4.102 0.266 12.872 1.00 1.32 H new ATOM 0 HA ILE A 158 2.283 -1.947 12.138 1.00 1.10 H new ATOM 0 HB ILE A 158 5.100 -1.343 11.282 1.00 1.24 H new ATOM 0 HG12 ILE A 158 2.472 -0.714 9.904 1.00 1.65 H new ATOM 0 HG13 ILE A 158 3.572 0.456 10.606 1.00 1.65 H new ATOM 0 HG21 ILE A 158 4.615 -2.948 9.485 1.00 0.97 H new ATOM 0 HG22 ILE A 158 4.524 -3.698 11.096 1.00 0.97 H new ATOM 0 HG23 ILE A 158 3.030 -3.286 10.221 1.00 0.97 H new ATOM 0 HD11 ILE A 158 3.916 0.286 8.162 1.00 2.09 H new ATOM 0 HD12 ILE A 158 5.365 -0.268 9.034 1.00 2.09 H new ATOM 0 HD13 ILE A 158 4.248 -1.456 8.321 1.00 2.09 H new ATOM 2410 N ALA A 159 3.031 -3.550 13.782 1.00 0.98 N ATOM 2411 CA ALA A 159 3.458 -4.581 14.713 1.00 1.07 C ATOM 2412 C ALA A 159 4.548 -5.432 14.061 1.00 0.97 C ATOM 2413 O ALA A 159 5.661 -5.523 14.576 1.00 1.13 O ATOM 2414 CB ALA A 159 2.247 -5.413 15.142 1.00 1.09 C ATOM 0 H ALA A 159 2.074 -3.650 13.444 1.00 0.98 H new ATOM 0 HA ALA A 159 3.883 -4.135 15.612 1.00 1.07 H new ATOM 0 HB1 ALA A 159 2.566 -6.187 15.840 1.00 1.09 H new ATOM 0 HB2 ALA A 159 1.515 -4.767 15.626 1.00 1.09 H new ATOM 0 HB3 ALA A 159 1.797 -5.879 14.265 1.00 1.09 H new ATOM 2420 N ASP A 160 4.191 -6.033 12.934 1.00 0.75 N ATOM 2421 CA ASP A 160 5.147 -6.813 12.167 1.00 0.69 C ATOM 2422 C ASP A 160 4.466 -7.348 10.905 1.00 0.67 C ATOM 2423 O ASP A 160 3.241 -7.453 10.854 1.00 0.88 O ATOM 2424 CB ASP A 160 5.657 -8.009 12.972 1.00 0.87 C ATOM 2425 CG ASP A 160 4.570 -8.820 13.683 1.00 1.73 C ATOM 2426 OD1 ASP A 160 4.163 -8.384 14.781 1.00 2.50 O ATOM 2427 OD2 ASP A 160 4.174 -9.858 13.111 1.00 3.02 O ATOM 0 H ASP A 160 3.253 -5.995 12.535 1.00 0.75 H new ATOM 0 HA ASP A 160 5.986 -6.164 11.916 1.00 0.69 H new ATOM 0 HB2 ASP A 160 6.205 -8.672 12.302 1.00 0.87 H new ATOM 0 HB3 ASP A 160 6.368 -7.650 13.717 1.00 0.87 H new ATOM 2432 N CYS A 161 5.289 -7.672 9.919 1.00 0.71 N ATOM 2433 CA CYS A 161 4.786 -8.243 8.682 1.00 0.69 C ATOM 2434 C CYS A 161 5.783 -9.300 8.199 1.00 0.89 C ATOM 2435 O CYS A 161 6.815 -9.518 8.831 1.00 1.12 O ATOM 2436 CB CYS A 161 4.536 -7.169 7.622 1.00 1.00 C ATOM 2437 SG CYS A 161 4.249 -5.551 8.428 1.00 2.29 S ATOM 0 H CYS A 161 6.301 -7.550 9.952 1.00 0.71 H new ATOM 0 HA CYS A 161 3.819 -8.712 8.864 1.00 0.69 H new ATOM 0 HB2 CYS A 161 5.392 -7.103 6.950 1.00 1.00 H new ATOM 0 HB3 CYS A 161 3.673 -7.440 7.014 1.00 1.00 H new ATOM 0 HG CYS A 161 3.748 -4.719 7.564 1.00 2.29 H new ATOM 2443 N GLY A 162 5.439 -9.927 7.085 1.00 1.05 N ATOM 2444 CA GLY A 162 6.397 -10.744 6.359 1.00 1.74 C ATOM 2445 C GLY A 162 5.757 -12.052 5.889 1.00 1.31 C ATOM 2446 O GLY A 162 5.996 -13.108 6.473 1.00 3.01 O ATOM 0 H GLY A 162 4.510 -9.886 6.666 1.00 1.05 H new ATOM 0 HA2 GLY A 162 6.775 -10.190 5.499 1.00 1.74 H new ATOM 0 HA3 GLY A 162 7.252 -10.963 6.998 1.00 1.74 H new ATOM 2450 N GLN A 163 4.958 -11.939 4.838 1.00 1.60 N ATOM 2451 CA GLN A 163 4.698 -13.075 3.970 1.00 1.14 C ATOM 2452 C GLN A 163 3.790 -14.085 4.676 1.00 1.40 C ATOM 2453 O GLN A 163 3.895 -14.278 5.886 1.00 2.06 O ATOM 2454 CB GLN A 163 6.004 -13.731 3.520 1.00 1.19 C ATOM 2455 CG GLN A 163 5.732 -15.040 2.775 1.00 1.52 C ATOM 2456 CD GLN A 163 7.000 -15.555 2.091 1.00 1.98 C ATOM 2457 OE1 GLN A 163 7.214 -15.370 0.904 1.00 2.11 O ATOM 2458 NE2 GLN A 163 7.825 -16.209 2.902 1.00 3.26 N ATOM 0 H GLN A 163 4.482 -11.078 4.568 1.00 1.60 H new ATOM 0 HA GLN A 163 4.185 -12.717 3.078 1.00 1.14 H new ATOM 0 HB2 GLN A 163 6.554 -13.048 2.873 1.00 1.19 H new ATOM 0 HB3 GLN A 163 6.635 -13.926 4.387 1.00 1.19 H new ATOM 0 HG2 GLN A 163 5.361 -15.790 3.474 1.00 1.52 H new ATOM 0 HG3 GLN A 163 4.951 -14.884 2.031 1.00 1.52 H new ATOM 0 HE21 GLN A 163 7.585 -16.328 3.886 1.00 3.26 H new ATOM 0 HE22 GLN A 163 8.699 -16.592 2.540 1.00 3.26 H new ATOM 2467 N LEU A 164 2.922 -14.702 3.889 1.00 1.14 N ATOM 2468 CA LEU A 164 2.162 -15.844 4.364 1.00 1.34 C ATOM 2469 C LEU A 164 2.623 -17.102 3.624 1.00 1.47 C ATOM 2470 O LEU A 164 2.426 -17.223 2.417 1.00 1.64 O ATOM 2471 CB LEU A 164 0.660 -15.577 4.245 1.00 1.31 C ATOM 2472 CG LEU A 164 -0.005 -14.927 5.461 1.00 1.11 C ATOM 2473 CD1 LEU A 164 -1.349 -14.304 5.082 1.00 1.31 C ATOM 2474 CD2 LEU A 164 -0.139 -15.927 6.610 1.00 1.21 C ATOM 0 H LEU A 164 2.728 -14.432 2.925 1.00 1.14 H new ATOM 0 HA LEU A 164 2.349 -16.010 5.425 1.00 1.34 H new ATOM 0 HB2 LEU A 164 0.493 -14.937 3.379 1.00 1.31 H new ATOM 0 HB3 LEU A 164 0.158 -16.523 4.044 1.00 1.31 H new ATOM 0 HG LEU A 164 0.636 -14.118 5.811 1.00 1.11 H new ATOM 0 HD11 LEU A 164 -1.801 -13.849 5.964 1.00 1.31 H new ATOM 0 HD12 LEU A 164 -1.194 -13.541 4.319 1.00 1.31 H new ATOM 0 HD13 LEU A 164 -2.012 -15.077 4.693 1.00 1.31 H new ATOM 0 HD21 LEU A 164 -0.614 -15.441 7.462 1.00 1.21 H new ATOM 0 HD22 LEU A 164 -0.748 -16.772 6.288 1.00 1.21 H new ATOM 0 HD23 LEU A 164 0.850 -16.282 6.900 1.00 1.21 H new ATOM 2486 N GLU A 165 3.228 -18.006 4.380 1.00 2.03 N ATOM 2487 CA GLU A 165 3.730 -19.245 3.809 1.00 2.54 C ATOM 2488 C GLU A 165 3.216 -20.444 4.609 1.00 3.50 C ATOM 2489 O GLU A 165 3.283 -21.580 4.142 1.00 3.66 O ATOM 2490 CB GLU A 165 5.259 -19.241 3.748 1.00 3.04 C ATOM 2491 CG GLU A 165 5.863 -18.989 5.131 1.00 4.76 C ATOM 2492 CD GLU A 165 7.390 -18.936 5.062 1.00 5.63 C ATOM 2493 OE1 GLU A 165 7.994 -20.029 5.012 1.00 6.18 O ATOM 2494 OE2 GLU A 165 7.919 -17.803 5.059 1.00 6.37 O ATOM 0 H GLU A 165 3.382 -17.906 5.383 1.00 2.03 H new ATOM 0 HA GLU A 165 3.359 -19.328 2.787 1.00 2.54 H new ATOM 0 HB2 GLU A 165 5.613 -20.196 3.361 1.00 3.04 H new ATOM 0 HB3 GLU A 165 5.597 -18.471 3.054 1.00 3.04 H new ATOM 0 HG2 GLU A 165 5.481 -18.051 5.533 1.00 4.76 H new ATOM 0 HG3 GLU A 165 5.554 -19.778 5.816 1.00 4.76 H new TER 2501 GLU A 165 HETATM 2502 N DAL B 201 -6.610 17.780 -4.524 1.00 1.35 N HETATM 2503 CA DAL B 201 -7.458 16.811 -5.198 1.00 1.23 C HETATM 2504 CB DAL B 201 -8.872 17.379 -5.337 1.00 1.38 C HETATM 2505 C DAL B 201 -7.433 15.492 -4.424 1.00 0.94 C HETATM 2506 O DAL B 201 -7.013 15.455 -3.268 1.00 0.92 O HETATM 0 HB3 DAL B 201 -9.278 17.590 -4.348 1.00 1.38 H new HETATM 0 HB2 DAL B 201 -8.839 18.299 -5.920 1.00 1.38 H new HETATM 0 HB1 DAL B 201 -9.508 16.652 -5.843 1.00 1.38 H new HETATM 0 HA DAL B 201 -7.087 16.610 -6.203 1.00 1.23 H new HETATM 2512 N MLE B 202 -7.888 14.442 -5.091 1.00 0.85 N HETATM 2513 CN MLE B 202 -8.500 14.512 -6.793 1.00 1.00 C HETATM 2514 CA MLE B 202 -7.924 13.124 -4.480 1.00 0.77 C HETATM 2515 CB MLE B 202 -9.370 12.685 -4.239 1.00 0.85 C HETATM 2516 CG MLE B 202 -10.053 13.273 -3.003 1.00 0.88 C HETATM 2517 CD1 MLE B 202 -9.251 12.967 -1.736 1.00 2.43 C HETATM 2518 CD2 MLE B 202 -10.303 14.772 -3.176 1.00 1.54 C HETATM 2519 C MLE B 202 -7.119 12.146 -5.337 1.00 0.75 C HETATM 2520 O MLE B 202 -7.683 11.234 -5.940 1.00 0.76 O HETATM 0 HD23 MLE B 202 -9.353 15.284 -3.327 1.00 1.54 H new HETATM 0 HD22 MLE B 202 -10.945 14.936 -4.041 1.00 1.54 H new HETATM 0 HD21 MLE B 202 -10.789 15.165 -2.283 1.00 1.54 H new HETATM 0 HD13 MLE B 202 -9.169 11.888 -1.609 1.00 2.43 H new HETATM 0 HD12 MLE B 202 -8.254 13.399 -1.823 1.00 2.43 H new HETATM 0 HD11 MLE B 202 -9.758 13.396 -0.872 1.00 2.43 H new HETATM 0 HN3 MLE B 202 -7.897 13.859 -7.424 1.00 1.00 H new HETATM 0 HN2 MLE B 202 -9.539 14.184 -6.820 1.00 1.00 H new HETATM 0 HN1 MLE B 202 -8.433 15.536 -7.162 1.00 1.00 H new HETATM 0 HG MLE B 202 -11.026 12.796 -2.891 1.00 0.88 H new HETATM 0 HB3 MLE B 202 -9.960 12.950 -5.116 1.00 0.85 H new HETATM 0 HB2 MLE B 202 -9.390 11.598 -4.158 1.00 0.85 H new HETATM 0 HA MLE B 202 -7.454 13.147 -3.497 1.00 0.77 H new HETATM 2531 N MLE B 203 -5.813 12.369 -5.365 1.00 0.82 N HETATM 2532 CN MLE B 203 -5.007 13.759 -4.531 1.00 0.96 C HETATM 2533 CA MLE B 203 -4.918 11.484 -6.090 1.00 0.90 C HETATM 2534 CB MLE B 203 -4.100 12.272 -7.115 1.00 0.98 C HETATM 2535 CG MLE B 203 -4.851 13.369 -7.872 1.00 0.90 C HETATM 2536 CD1 MLE B 203 -3.943 14.046 -8.900 1.00 0.98 C HETATM 2537 CD2 MLE B 203 -6.127 12.818 -8.510 1.00 0.77 C HETATM 2538 C MLE B 203 -4.062 10.702 -5.091 1.00 0.98 C HETATM 2539 O MLE B 203 -3.932 11.100 -3.934 1.00 1.05 O HETATM 0 HD23 MLE B 203 -5.870 12.023 -9.210 1.00 0.77 H new HETATM 0 HD22 MLE B 203 -6.780 12.420 -7.733 1.00 0.77 H new HETATM 0 HD21 MLE B 203 -6.642 13.618 -9.042 1.00 0.77 H new HETATM 0 HD13 MLE B 203 -3.089 14.494 -8.392 1.00 0.98 H new HETATM 0 HD12 MLE B 203 -3.590 13.305 -9.618 1.00 0.98 H new HETATM 0 HD11 MLE B 203 -4.502 14.822 -9.424 1.00 0.98 H new HETATM 0 HN3 MLE B 203 -4.288 13.380 -3.805 1.00 0.96 H new HETATM 0 HN2 MLE B 203 -4.489 14.374 -5.267 1.00 0.96 H new HETATM 0 HN1 MLE B 203 -5.758 14.361 -4.019 1.00 0.96 H new HETATM 0 HG MLE B 203 -5.152 14.134 -7.156 1.00 0.90 H new HETATM 0 HB3 MLE B 203 -3.253 12.727 -6.602 1.00 0.98 H new HETATM 0 HB2 MLE B 203 -3.693 11.570 -7.842 1.00 0.98 H new HETATM 0 HA MLE B 203 -5.487 10.753 -6.664 1.00 0.90 H new HETATM 2550 N MVA B 204 -3.501 9.604 -5.574 1.00 1.00 N HETATM 2551 CN MVA B 204 -3.732 9.010 -7.269 1.00 1.02 C HETATM 2552 CA MVA B 204 -2.635 8.780 -4.748 1.00 1.05 C HETATM 2553 CB MVA B 204 -3.249 7.390 -4.571 1.00 1.12 C HETATM 2554 CG1 MVA B 204 -2.576 6.634 -3.425 1.00 1.29 C HETATM 2555 CG2 MVA B 204 -4.761 7.481 -4.354 1.00 1.13 C HETATM 2556 C MVA B 204 -1.235 8.740 -5.363 1.00 0.99 C HETATM 2557 O MVA B 204 -0.916 7.836 -6.132 1.00 0.92 O HETATM 0 HG23 MVA B 204 -4.965 8.069 -3.459 1.00 1.13 H new HETATM 0 HG22 MVA B 204 -5.224 7.960 -5.217 1.00 1.13 H new HETATM 0 HG21 MVA B 204 -5.172 6.479 -4.231 1.00 1.13 H new HETATM 0 HG13 MVA B 204 -1.513 6.521 -3.638 1.00 1.29 H new HETATM 0 HG12 MVA B 204 -2.703 7.192 -2.497 1.00 1.29 H new HETATM 0 HG11 MVA B 204 -3.032 5.649 -3.321 1.00 1.29 H new HETATM 0 HN3 MVA B 204 -2.767 8.967 -7.774 1.00 1.02 H new HETATM 0 HN2 MVA B 204 -4.175 8.014 -7.248 1.00 1.02 H new HETATM 0 HN1 MVA B 204 -4.393 9.690 -7.806 1.00 1.02 H new HETATM 0 HB MVA B 204 -3.075 6.829 -5.489 1.00 1.12 H new HETATM 0 HA MVA B 204 -2.539 9.209 -3.751 1.00 1.05 H new HETATM 2566 N BMT B 205 -0.501 9.895 -5.224 1.00 1.00 N HETATM 2567 CN BMT B 205 -0.758 10.903 -3.744 1.00 1.23 C HETATM 2568 CA BMT B 205 0.848 9.930 -5.765 1.00 0.98 C HETATM 2569 C BMT B 205 1.870 9.619 -4.670 1.00 1.14 C HETATM 2570 O BMT B 205 1.499 9.269 -3.550 1.00 1.25 O HETATM 2571 CB BMT B 205 1.058 11.296 -6.421 1.00 1.06 C HETATM 2572 OG1 BMT B 205 0.384 12.205 -5.554 1.00 1.45 O HETATM 2573 CG2 BMT B 205 0.312 11.427 -7.751 1.00 0.91 C HETATM 2574 CD1 BMT B 205 -1.016 10.668 -7.694 1.00 1.55 C HETATM 2575 CD2 BMT B 205 1.111 11.130 -8.947 1.00 2.23 C HETATM 2576 CE BMT B 205 1.930 12.204 -9.482 1.00 1.70 C HETATM 2577 CZ BMT B 205 2.980 12.766 -9.033 1.00 1.87 C HETATM 2578 CH BMT B 205 3.779 13.926 -9.570 1.00 1.42 C HETATM 0 HD23 BMT B 205 1.765 10.289 -8.716 1.00 2.23 H new HETATM 0 HD22 BMT B 205 0.432 10.799 -9.733 1.00 2.23 H new HETATM 0 HD13 BMT B 205 -0.824 9.613 -7.497 1.00 1.55 H new HETATM 0 HD12 BMT B 205 -1.636 11.079 -6.897 1.00 1.55 H new HETATM 0 HD11 BMT B 205 -1.535 10.771 -8.647 1.00 1.55 H new HETATM 0 HZ BMT B 205 3.365 12.338 -8.107 1.00 1.87 H new HETATM 0 HN3 BMT B 205 -0.095 10.559 -2.950 1.00 1.23 H new HETATM 0 HN2 BMT B 205 -0.541 11.946 -3.972 1.00 1.23 H new HETATM 0 HN1 BMT B 205 -1.794 10.811 -3.417 1.00 1.23 H new HETATM 0 HH3 BMT B 205 4.150 13.682 -10.566 1.00 1.42 H new HETATM 0 HH2 BMT B 205 3.144 14.810 -9.626 1.00 1.42 H new HETATM 0 HH1 BMT B 205 4.621 14.125 -8.908 1.00 1.42 H new HETATM 0 HG2 BMT B 205 0.090 12.487 -7.875 1.00 0.91 H new HETATM 0 HG1 BMT B 205 0.603 13.125 -5.811 1.00 1.45 H new HETATM 0 HE BMT B 205 1.584 12.598 -10.437 1.00 1.70 H new HETATM 0 HB BMT B 205 2.123 11.461 -6.584 1.00 1.06 H new HETATM 0 HA BMT B 205 0.989 9.162 -6.526 1.00 0.98 H new HETATM 2593 N ABA B 206 3.137 9.757 -5.031 1.00 1.21 N HETATM 2594 CA ABA B 206 4.216 9.488 -4.096 1.00 1.37 C HETATM 2595 C ABA B 206 5.383 10.446 -4.338 1.00 1.46 C HETATM 2596 O ABA B 206 6.396 10.061 -4.921 1.00 1.62 O HETATM 2597 CB ABA B 206 4.602 8.013 -4.231 1.00 1.55 C HETATM 2598 CG ABA B 206 4.787 7.587 -5.689 1.00 1.51 C HETATM 0 HG3 ABA B 206 5.577 8.183 -6.145 1.00 1.51 H new HETATM 0 HG2 ABA B 206 3.856 7.741 -6.234 1.00 1.51 H new HETATM 0 HG1 ABA B 206 5.060 6.532 -5.728 1.00 1.51 H new HETATM 0 HB3 ABA B 206 3.831 7.395 -3.770 1.00 1.55 H new HETATM 0 HB2 ABA B 206 5.526 7.831 -3.683 1.00 1.55 H new HETATM 0 HA ABA B 206 3.901 9.664 -3.067 1.00 1.37 H new HETATM 0 H ABA B 206 3.233 10.503 -5.720 1.00 1.21 H new HETATM 2606 N SAR B 207 5.204 11.676 -3.878 1.00 1.39 N HETATM 2607 CA SAR B 207 6.237 12.731 -4.083 1.00 1.51 C HETATM 2608 C SAR B 207 5.880 14.210 -3.857 1.00 1.51 C HETATM 2609 O SAR B 207 6.535 15.033 -3.235 1.00 1.67 O HETATM 2610 CN SAR B 207 3.623 11.996 -2.985 1.00 1.23 C HETATM 0 HN3 SAR B 207 3.839 12.318 -1.966 1.00 1.23 H new HETATM 0 HN2 SAR B 207 3.065 12.777 -3.501 1.00 1.23 H new HETATM 0 HN1 SAR B 207 3.029 11.083 -2.959 1.00 1.23 H new HETATM 0 HA3 SAR B 207 7.075 12.496 -3.427 1.00 1.51 H new HETATM 0 HA2 SAR B 207 6.598 12.637 -5.107 1.00 1.51 H new HETATM 2613 N MLE B 208 4.738 14.601 -4.404 1.00 1.37 N HETATM 2614 CN MLE B 208 3.505 13.792 -5.453 1.00 1.21 C HETATM 2615 CA MLE B 208 4.446 15.984 -4.067 1.00 1.44 C HETATM 2616 CB MLE B 208 5.317 16.932 -4.895 1.00 1.61 C HETATM 2617 CG MLE B 208 5.477 16.575 -6.375 1.00 2.59 C HETATM 2618 CD1 MLE B 208 6.260 15.272 -6.544 1.00 4.33 C HETATM 2619 CD2 MLE B 208 4.118 16.522 -7.076 1.00 2.91 C HETATM 2620 C MLE B 208 2.946 16.235 -4.221 1.00 1.29 C HETATM 2621 O MLE B 208 2.526 17.004 -5.084 1.00 1.35 O HETATM 0 HD23 MLE B 208 3.492 15.767 -6.600 1.00 2.91 H new HETATM 0 HD22 MLE B 208 3.632 17.495 -7.002 1.00 2.91 H new HETATM 0 HD21 MLE B 208 4.260 16.266 -8.126 1.00 2.91 H new HETATM 0 HD13 MLE B 208 7.251 15.383 -6.103 1.00 4.33 H new HETATM 0 HD12 MLE B 208 5.729 14.461 -6.045 1.00 4.33 H new HETATM 0 HD11 MLE B 208 6.359 15.042 -7.605 1.00 4.33 H new HETATM 0 HN3 MLE B 208 2.540 13.792 -4.946 1.00 1.21 H new HETATM 0 HN2 MLE B 208 3.420 14.331 -6.396 1.00 1.21 H new HETATM 0 HN1 MLE B 208 3.812 12.765 -5.649 1.00 1.21 H new HETATM 0 HG MLE B 208 6.057 17.363 -6.855 1.00 2.59 H new HETATM 0 HB3 MLE B 208 4.894 17.934 -4.827 1.00 1.61 H new HETATM 0 HB2 MLE B 208 6.308 16.972 -4.442 1.00 1.61 H new HETATM 0 HA MLE B 208 4.698 16.185 -3.026 1.00 1.44 H new ATOM 2632 N VAL B 209 2.177 15.573 -3.369 1.00 1.34 N ATOM 2633 CA VAL B 209 0.731 15.561 -3.519 1.00 1.19 C ATOM 2634 C VAL B 209 0.230 16.993 -3.709 1.00 1.28 C ATOM 2635 O VAL B 209 0.660 17.904 -3.003 1.00 1.47 O ATOM 2636 CB VAL B 209 0.087 14.855 -2.323 1.00 1.21 C ATOM 2637 CG1 VAL B 209 -1.438 14.843 -2.451 1.00 1.06 C ATOM 2638 CG2 VAL B 209 0.636 13.437 -2.162 1.00 1.26 C ATOM 0 H VAL B 209 2.528 15.041 -2.572 1.00 1.34 H new ATOM 0 HA VAL B 209 0.444 14.997 -4.406 1.00 1.19 H new ATOM 0 HB VAL B 209 0.343 15.416 -1.424 1.00 1.21 H new ATOM 0 HG11 VAL B 209 -1.871 14.336 -1.589 1.00 1.06 H new ATOM 0 HG12 VAL B 209 -1.808 15.868 -2.493 1.00 1.06 H new ATOM 0 HG13 VAL B 209 -1.723 14.317 -3.362 1.00 1.06 H new ATOM 0 HG21 VAL B 209 0.162 12.958 -1.305 1.00 1.26 H new ATOM 0 HG22 VAL B 209 0.425 12.861 -3.063 1.00 1.26 H new ATOM 0 HG23 VAL B 209 1.714 13.480 -2.003 1.00 1.26 H new HETATM 2648 N MLE B 210 -0.672 17.149 -4.667 1.00 1.20 N HETATM 2649 CN MLE B 210 -1.198 15.826 -5.786 1.00 1.05 C HETATM 2650 CA MLE B 210 -1.316 18.432 -4.887 1.00 1.33 C HETATM 2651 CB MLE B 210 -1.110 18.894 -6.331 1.00 1.42 C HETATM 2652 CG MLE B 210 0.286 18.670 -6.915 1.00 1.46 C HETATM 2653 CD1 MLE B 210 0.278 18.843 -8.435 1.00 1.60 C HETATM 2654 CD2 MLE B 210 1.314 19.580 -6.239 1.00 1.63 C HETATM 2655 C MLE B 210 -2.786 18.337 -4.475 1.00 1.29 C HETATM 2656 O MLE B 210 -3.222 17.314 -3.948 1.00 1.19 O HETATM 0 HD23 MLE B 210 1.034 20.622 -6.392 1.00 1.63 H new HETATM 0 HD22 MLE B 210 1.343 19.365 -5.171 1.00 1.63 H new HETATM 0 HD21 MLE B 210 2.298 19.402 -6.672 1.00 1.63 H new HETATM 0 HD13 MLE B 210 -0.407 18.121 -8.880 1.00 1.60 H new HETATM 0 HD12 MLE B 210 -0.047 19.853 -8.685 1.00 1.60 H new HETATM 0 HD11 MLE B 210 1.282 18.678 -8.825 1.00 1.60 H new HETATM 0 HN3 MLE B 210 -2.270 15.660 -5.675 1.00 1.05 H new HETATM 0 HN2 MLE B 210 -0.980 16.112 -6.815 1.00 1.05 H new HETATM 0 HN1 MLE B 210 -0.662 14.909 -5.543 1.00 1.05 H new HETATM 0 HG MLE B 210 0.582 17.641 -6.710 1.00 1.46 H new HETATM 0 HB3 MLE B 210 -1.833 18.379 -6.963 1.00 1.42 H new HETATM 0 HB2 MLE B 210 -1.339 19.958 -6.387 1.00 1.42 H new HETATM 0 HA MLE B 210 -0.859 19.200 -4.263 1.00 1.33 H new ATOM 2667 N ALA B 211 -3.511 19.416 -4.732 1.00 1.42 N ATOM 2668 CA ALA B 211 -4.914 19.483 -4.356 1.00 1.42 C ATOM 2669 C ALA B 211 -5.709 18.482 -5.196 1.00 1.26 C ATOM 2670 O ALA B 211 -5.496 18.370 -6.402 1.00 1.26 O ATOM 2671 CB ALA B 211 -5.419 20.917 -4.524 1.00 1.67 C ATOM 0 H ALA B 211 -3.154 20.251 -5.196 1.00 1.42 H new ATOM 0 HA ALA B 211 -5.045 19.212 -3.308 1.00 1.42 H new ATOM 0 HB1 ALA B 211 -6.471 20.968 -4.242 1.00 1.67 H new ATOM 0 HB2 ALA B 211 -4.840 21.584 -3.885 1.00 1.67 H new ATOM 0 HB3 ALA B 211 -5.307 21.223 -5.564 1.00 1.67 H new TER 2677 ALA B 211