USER MOD reduce.3.24.130724 H: found=0, std=0, add=1025, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1020 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 MET CE :methyl 178:sc= -0.414 (180deg=-0.312) USER MOD Set 1.2: A 84 MET CE :methyl -148:sc= -1.82 (180deg=-2.73!) USER MOD Set 2.1: A 17 HIS : no HE2:sc= -1.58 X(o=-1.5,f=-1.9) USER MOD Set 2.2: A 23 LYS NZ :NH3+ 175:sc= 0.0764 (180deg=0) USER MOD Set 3.1: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 123 ASN : amide:sc= -0.0575 X(o=-0.057,f=-0.0044) USER MOD Single : A 1 GLY N :NH3+ 136:sc= 0.0301 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00335 USER MOD Single : A 3 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.11) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 120:sc= -0.0301 USER MOD Single : A 10 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 21 THR OG1 : rot -9:sc= 0.0442 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 180:sc= -0.476 USER MOD Single : A 29 MET CE :methyl -175:sc= -1.14 (180deg=-1.32) USER MOD Single : A 35 MET CE :methyl -178:sc= 0 (180deg=-0.00558) USER MOD Single : A 37 THR OG1 : rot -140:sc= -0.116 USER MOD Single : A 39 GLN : amide:sc= -6.5! C(o=-6.5!,f=-9.4!) USER MOD Single : A 41 LYS NZ :NH3+ -161:sc= 1.08 (180deg=0.709) USER MOD Single : A 42 TYR OH : rot -1:sc= 0.321 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.063 X(o=-0.063,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 4:sc= 1.24 USER MOD Single : A 62 THR OG1 : rot 110:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -178:sc= 2.46 (180deg=2.38) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0589 USER MOD Single : A 72 THR OG1 : rot 76:sc= 0.35 USER MOD Single : A 73 LYS NZ :NH3+ 161:sc= 1.17 (180deg=0.921) USER MOD Single : A 75 ASN : amide:sc= -0.0765 K(o=-0.076,f=-6.7!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.18) USER MOD Single : A 83 THR OG1 : rot 124:sc= 1.41 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -150:sc= -0.0313 USER MOD Single : A 91 HIS : no HE2:sc= -0.337 K(o=-0.34,f=-2.6) USER MOD Single : A 94 ASN : amide:sc= -0.0674 X(o=-0.067,f=0) USER MOD Single : A 101 CYS SG : rot 170:sc= -0.171 USER MOD Single : A 102 MET CE :methyl 180:sc=-0.00993 (180deg=-0.00993) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.00267 USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.0319 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot -40:sc= 1.22 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.139 -18.387 4.292 1.00 13.21 N ATOM 2 CA GLY A 1 1.078 -17.777 3.751 1.00 10.21 C ATOM 3 C GLY A 1 2.022 -17.413 4.885 1.00 51.11 C ATOM 4 O GLY A 1 1.588 -16.974 5.955 1.00 71.42 O ATOM 0 H1 GLY A 1 -0.970 -17.990 3.810 1.00 13.21 H new ATOM 0 H2 GLY A 1 -0.109 -19.415 4.140 1.00 13.21 H new ATOM 0 H3 GLY A 1 -0.203 -18.189 5.311 1.00 13.21 H new ATOM 0 HA2 GLY A 1 1.568 -18.469 3.066 1.00 10.21 H new ATOM 0 HA3 GLY A 1 0.824 -16.886 3.177 1.00 10.21 H new ATOM 8 N SER A 2 3.327 -17.593 4.695 1.00 4.41 N ATOM 9 CA SER A 2 4.356 -17.079 5.589 1.00 74.00 C ATOM 10 C SER A 2 5.573 -16.656 4.772 1.00 32.40 C ATOM 11 O SER A 2 6.583 -17.361 4.720 1.00 32.54 O ATOM 12 CB SER A 2 4.694 -18.112 6.664 1.00 24.05 C ATOM 13 OG SER A 2 3.512 -18.499 7.352 1.00 32.33 O ATOM 0 H SER A 2 3.703 -18.110 3.900 1.00 4.41 H new ATOM 0 HA SER A 2 3.989 -16.196 6.113 1.00 74.00 H new ATOM 0 HB2 SER A 2 5.162 -18.984 6.208 1.00 24.05 H new ATOM 0 HB3 SER A 2 5.415 -17.695 7.367 1.00 24.05 H new ATOM 0 HG SER A 2 3.735 -19.162 8.038 1.00 32.33 H new ATOM 19 N HIS A 3 5.455 -15.499 4.122 1.00 31.55 N ATOM 20 CA HIS A 3 6.588 -14.783 3.564 1.00 33.04 C ATOM 21 C HIS A 3 6.965 -13.640 4.486 1.00 13.35 C ATOM 22 O HIS A 3 7.973 -13.747 5.180 1.00 54.23 O ATOM 23 CB HIS A 3 6.333 -14.345 2.130 1.00 2.12 C ATOM 24 CG HIS A 3 6.208 -15.506 1.187 1.00 43.35 C ATOM 25 ND1 HIS A 3 7.059 -16.583 1.063 1.00 32.33 N ATOM 26 CD2 HIS A 3 5.178 -15.689 0.319 1.00 62.25 C ATOM 27 CE1 HIS A 3 6.541 -17.401 0.132 1.00 4.22 C ATOM 28 NE2 HIS A 3 5.399 -16.888 -0.362 1.00 54.11 N ATOM 0 H HIS A 3 4.560 -15.033 3.970 1.00 31.55 H new ATOM 0 HA HIS A 3 7.444 -15.455 3.503 1.00 33.04 H new ATOM 0 HB2 HIS A 3 5.420 -13.751 2.092 1.00 2.12 H new ATOM 0 HB3 HIS A 3 7.147 -13.700 1.801 1.00 2.12 H new ATOM 0 HD2 HIS A 3 4.338 -15.025 0.181 1.00 62.25 H new ATOM 0 HE1 HIS A 3 6.979 -18.339 -0.177 1.00 4.22 H new ATOM 0 HE2 HIS A 3 4.811 -17.295 -1.090 1.00 54.11 H new ATOM 36 N MET A 4 6.125 -12.597 4.509 1.00 4.23 N ATOM 37 CA MET A 4 6.340 -11.259 5.072 1.00 12.34 C ATOM 38 C MET A 4 7.716 -10.658 4.714 1.00 1.03 C ATOM 39 O MET A 4 8.522 -11.303 4.047 1.00 73.13 O ATOM 40 CB MET A 4 5.913 -11.182 6.551 1.00 74.24 C ATOM 41 CG MET A 4 6.925 -11.786 7.513 1.00 14.22 C ATOM 42 SD MET A 4 6.347 -12.051 9.215 1.00 3.35 S ATOM 43 CE MET A 4 6.352 -10.333 9.775 1.00 61.14 C ATOM 0 H MET A 4 5.195 -12.676 4.097 1.00 4.23 H new ATOM 0 HA MET A 4 5.659 -10.571 4.571 1.00 12.34 H new ATOM 0 HB2 MET A 4 5.749 -10.138 6.819 1.00 74.24 H new ATOM 0 HB3 MET A 4 4.959 -11.696 6.672 1.00 74.24 H new ATOM 0 HG2 MET A 4 7.254 -12.743 7.109 1.00 14.22 H new ATOM 0 HG3 MET A 4 7.799 -11.136 7.544 1.00 14.22 H new ATOM 0 HE1 MET A 4 6.022 -10.288 10.813 1.00 61.14 H new ATOM 0 HE2 MET A 4 7.361 -9.928 9.697 1.00 61.14 H new ATOM 0 HE3 MET A 4 5.676 -9.746 9.153 1.00 61.14 H new ATOM 53 N GLY A 5 7.984 -9.404 5.101 1.00 74.44 N ATOM 54 CA GLY A 5 9.248 -8.725 4.801 1.00 11.54 C ATOM 55 C GLY A 5 9.627 -8.790 3.317 1.00 25.35 C ATOM 56 O GLY A 5 10.545 -9.517 2.936 1.00 74.51 O ATOM 0 H GLY A 5 7.328 -8.832 5.632 1.00 74.44 H new ATOM 0 HA2 GLY A 5 9.174 -7.681 5.106 1.00 11.54 H new ATOM 0 HA3 GLY A 5 10.045 -9.175 5.394 1.00 11.54 H new ATOM 60 N THR A 6 8.918 -7.994 2.522 1.00 1.14 N ATOM 61 CA THR A 6 8.984 -7.829 1.071 1.00 4.04 C ATOM 62 C THR A 6 8.577 -9.111 0.329 1.00 24.34 C ATOM 63 O THR A 6 9.060 -10.205 0.624 1.00 4.55 O ATOM 64 CB THR A 6 10.365 -7.292 0.648 1.00 64.50 C ATOM 65 OG1 THR A 6 10.854 -6.348 1.589 1.00 4.42 O ATOM 66 CG2 THR A 6 10.317 -6.604 -0.717 1.00 62.33 C ATOM 0 H THR A 6 8.206 -7.382 2.921 1.00 1.14 H new ATOM 0 HA THR A 6 8.250 -7.079 0.777 1.00 4.04 H new ATOM 0 HB THR A 6 11.024 -8.158 0.597 1.00 64.50 H new ATOM 0 HG1 THR A 6 11.732 -6.023 1.300 1.00 4.42 H new ATOM 0 HG21 THR A 6 11.311 -6.240 -0.976 1.00 62.33 H new ATOM 0 HG22 THR A 6 9.983 -7.316 -1.472 1.00 62.33 H new ATOM 0 HG23 THR A 6 9.623 -5.765 -0.677 1.00 62.33 H new ATOM 74 N VAL A 7 7.662 -8.994 -0.636 1.00 13.14 N ATOM 75 CA VAL A 7 7.152 -10.099 -1.445 1.00 52.11 C ATOM 76 C VAL A 7 6.831 -9.618 -2.872 1.00 34.41 C ATOM 77 O VAL A 7 7.113 -8.471 -3.206 1.00 64.45 O ATOM 78 CB VAL A 7 5.927 -10.735 -0.770 1.00 15.35 C ATOM 79 CG1 VAL A 7 6.122 -11.143 0.696 1.00 35.33 C ATOM 80 CG2 VAL A 7 4.686 -9.826 -0.822 1.00 10.54 C ATOM 0 H VAL A 7 7.243 -8.097 -0.882 1.00 13.14 H new ATOM 0 HA VAL A 7 7.922 -10.867 -1.523 1.00 52.11 H new ATOM 0 HB VAL A 7 5.782 -11.639 -1.361 1.00 15.35 H new ATOM 0 HG11 VAL A 7 5.200 -11.581 1.078 1.00 35.33 H new ATOM 0 HG12 VAL A 7 6.927 -11.874 0.766 1.00 35.33 H new ATOM 0 HG13 VAL A 7 6.378 -10.264 1.287 1.00 35.33 H new ATOM 0 HG21 VAL A 7 3.850 -10.324 -0.331 1.00 10.54 H new ATOM 0 HG22 VAL A 7 4.901 -8.888 -0.311 1.00 10.54 H new ATOM 0 HG23 VAL A 7 4.428 -9.622 -1.861 1.00 10.54 H new ATOM 90 N SER A 8 6.233 -10.469 -3.716 1.00 33.14 N ATOM 91 CA SER A 8 5.868 -10.180 -5.106 1.00 12.33 C ATOM 92 C SER A 8 4.469 -10.734 -5.432 1.00 24.32 C ATOM 93 O SER A 8 4.297 -11.525 -6.365 1.00 23.10 O ATOM 94 CB SER A 8 6.965 -10.739 -6.029 1.00 21.25 C ATOM 95 OG SER A 8 7.308 -12.077 -5.694 1.00 21.43 O ATOM 0 H SER A 8 5.981 -11.417 -3.436 1.00 33.14 H new ATOM 0 HA SER A 8 5.806 -9.104 -5.266 1.00 12.33 H new ATOM 0 HB2 SER A 8 6.624 -10.700 -7.064 1.00 21.25 H new ATOM 0 HB3 SER A 8 7.852 -10.109 -5.962 1.00 21.25 H new ATOM 0 HG SER A 8 7.135 -12.661 -6.462 1.00 21.43 H new ATOM 101 N TRP A 9 3.461 -10.420 -4.619 1.00 43.13 N ATOM 102 CA TRP A 9 2.135 -11.015 -4.766 1.00 12.32 C ATOM 103 C TRP A 9 1.397 -10.519 -6.011 1.00 33.02 C ATOM 104 O TRP A 9 1.806 -9.557 -6.665 1.00 64.13 O ATOM 105 CB TRP A 9 1.331 -10.782 -3.482 1.00 70.01 C ATOM 106 CG TRP A 9 1.778 -11.581 -2.296 1.00 13.24 C ATOM 107 CD1 TRP A 9 2.471 -12.746 -2.334 1.00 50.22 C ATOM 108 CD2 TRP A 9 1.564 -11.296 -0.878 1.00 52.35 C ATOM 109 NE1 TRP A 9 2.708 -13.187 -1.054 1.00 11.44 N ATOM 110 CE2 TRP A 9 2.213 -12.310 -0.116 1.00 53.33 C ATOM 111 CE3 TRP A 9 0.932 -10.263 -0.152 1.00 64.10 C ATOM 112 CZ2 TRP A 9 2.271 -12.274 1.281 1.00 14.34 C ATOM 113 CZ3 TRP A 9 0.972 -10.231 1.254 1.00 54.12 C ATOM 114 CH2 TRP A 9 1.638 -11.233 1.975 1.00 70.42 C ATOM 0 H TRP A 9 3.539 -9.755 -3.850 1.00 43.13 H new ATOM 0 HA TRP A 9 2.255 -12.088 -4.917 1.00 12.32 H new ATOM 0 HB2 TRP A 9 1.382 -9.723 -3.227 1.00 70.01 H new ATOM 0 HB3 TRP A 9 0.284 -11.012 -3.681 1.00 70.01 H new ATOM 0 HD1 TRP A 9 2.789 -13.251 -3.234 1.00 50.22 H new ATOM 0 HE1 TRP A 9 3.191 -14.056 -0.827 1.00 11.44 H new ATOM 0 HE3 TRP A 9 0.408 -9.483 -0.686 1.00 64.10 H new ATOM 0 HZ2 TRP A 9 2.801 -13.044 1.822 1.00 14.34 H new ATOM 0 HZ3 TRP A 9 0.485 -9.426 1.784 1.00 54.12 H new ATOM 0 HH2 TRP A 9 1.663 -11.203 3.054 1.00 70.42 H new ATOM 125 N ASN A 10 0.281 -11.188 -6.325 1.00 74.43 N ATOM 126 CA ASN A 10 -0.682 -10.687 -7.299 1.00 2.01 C ATOM 127 C ASN A 10 -1.331 -9.454 -6.672 1.00 65.32 C ATOM 128 O ASN A 10 -1.478 -9.423 -5.445 1.00 44.33 O ATOM 129 CB ASN A 10 -1.797 -11.723 -7.572 1.00 44.31 C ATOM 130 CG ASN A 10 -1.326 -13.075 -8.081 1.00 4.41 C ATOM 131 OD1 ASN A 10 -1.224 -14.065 -7.211 1.00 24.04 O flip ATOM 132 ND2 ASN A 10 -1.084 -13.247 -9.271 1.00 54.24 N flip ATOM 0 H ASN A 10 0.026 -12.085 -5.912 1.00 74.43 H new ATOM 0 HA ASN A 10 -0.175 -10.472 -8.240 1.00 2.01 H new ATOM 0 HB2 ASN A 10 -2.359 -11.877 -6.651 1.00 44.31 H new ATOM 0 HB3 ASN A 10 -2.489 -11.302 -8.301 1.00 44.31 H new ATOM 0 HD21 ASN A 10 -1.169 -12.470 -9.926 1.00 54.24 H new ATOM 0 HD22 ASN A 10 -0.798 -14.167 -9.605 1.00 54.24 H new ATOM 139 N LEU A 11 -1.892 -8.558 -7.494 1.00 70.24 N ATOM 140 CA LEU A 11 -2.885 -7.573 -7.039 1.00 33.11 C ATOM 141 C LEU A 11 -3.917 -8.275 -6.170 1.00 63.42 C ATOM 142 O LEU A 11 -4.216 -7.846 -5.052 1.00 22.13 O ATOM 143 CB LEU A 11 -3.561 -6.922 -8.264 1.00 1.15 C ATOM 144 CG LEU A 11 -4.918 -6.232 -7.989 1.00 0.52 C ATOM 145 CD1 LEU A 11 -4.808 -5.013 -7.074 1.00 10.25 C ATOM 146 CD2 LEU A 11 -5.530 -5.836 -9.326 1.00 34.42 C ATOM 0 H LEU A 11 -1.673 -8.494 -8.488 1.00 70.24 H new ATOM 0 HA LEU A 11 -2.399 -6.792 -6.454 1.00 33.11 H new ATOM 0 HB2 LEU A 11 -2.877 -6.185 -8.685 1.00 1.15 H new ATOM 0 HB3 LEU A 11 -3.711 -7.689 -9.024 1.00 1.15 H new ATOM 0 HG LEU A 11 -5.553 -6.942 -7.459 1.00 0.52 H new ATOM 0 HD11 LEU A 11 -5.797 -4.580 -6.925 1.00 10.25 H new ATOM 0 HD12 LEU A 11 -4.396 -5.316 -6.112 1.00 10.25 H new ATOM 0 HD13 LEU A 11 -4.153 -4.272 -7.532 1.00 10.25 H new ATOM 0 HD21 LEU A 11 -6.489 -5.347 -9.156 1.00 34.42 H new ATOM 0 HD22 LEU A 11 -4.860 -5.150 -9.844 1.00 34.42 H new ATOM 0 HD23 LEU A 11 -5.680 -6.727 -9.936 1.00 34.42 H new ATOM 158 N ARG A 12 -4.439 -9.369 -6.720 1.00 15.01 N ATOM 159 CA ARG A 12 -5.524 -10.115 -6.148 1.00 4.01 C ATOM 160 C ARG A 12 -5.127 -10.851 -4.869 1.00 24.32 C ATOM 161 O ARG A 12 -6.011 -11.117 -4.063 1.00 33.45 O ATOM 162 CB ARG A 12 -6.002 -11.066 -7.253 1.00 12.22 C ATOM 163 CG ARG A 12 -7.484 -11.407 -7.125 1.00 52.24 C ATOM 164 CD ARG A 12 -7.914 -12.228 -8.341 1.00 42.31 C ATOM 165 NE ARG A 12 -8.474 -11.383 -9.407 1.00 42.41 N ATOM 166 CZ ARG A 12 -8.566 -11.674 -10.709 1.00 4.33 C ATOM 167 NH1 ARG A 12 -8.220 -12.867 -11.187 1.00 13.21 N ATOM 168 NH2 ARG A 12 -9.005 -10.739 -11.537 1.00 5.11 N ATOM 0 H ARG A 12 -4.100 -9.760 -7.599 1.00 15.01 H new ATOM 0 HA ARG A 12 -6.327 -9.451 -5.827 1.00 4.01 H new ATOM 0 HB2 ARG A 12 -5.820 -10.609 -8.226 1.00 12.22 H new ATOM 0 HB3 ARG A 12 -5.416 -11.984 -7.217 1.00 12.22 H new ATOM 0 HG2 ARG A 12 -7.663 -11.970 -6.209 1.00 52.24 H new ATOM 0 HG3 ARG A 12 -8.076 -10.494 -7.059 1.00 52.24 H new ATOM 0 HD2 ARG A 12 -7.057 -12.779 -8.728 1.00 42.31 H new ATOM 0 HD3 ARG A 12 -8.656 -12.966 -8.036 1.00 42.31 H new ATOM 0 HE ARG A 12 -8.833 -10.472 -9.121 1.00 42.41 H new ATOM 0 HH11 ARG A 12 -7.874 -13.589 -10.555 1.00 13.21 H new ATOM 0 HH12 ARG A 12 -8.301 -13.060 -12.185 1.00 13.21 H new ATOM 0 HH21 ARG A 12 -9.264 -9.820 -11.178 1.00 5.11 H new ATOM 0 HH22 ARG A 12 -9.084 -10.937 -12.534 1.00 5.11 H new ATOM 182 N GLU A 13 -3.838 -11.167 -4.680 1.00 14.40 N ATOM 183 CA GLU A 13 -3.356 -11.873 -3.497 1.00 20.02 C ATOM 184 C GLU A 13 -3.192 -10.896 -2.347 1.00 21.24 C ATOM 185 O GLU A 13 -3.607 -11.212 -1.238 1.00 34.10 O ATOM 186 CB GLU A 13 -2.042 -12.636 -3.744 1.00 53.40 C ATOM 187 CG GLU A 13 -2.272 -14.117 -4.063 1.00 14.23 C ATOM 188 CD GLU A 13 -2.909 -14.872 -2.890 1.00 3.30 C ATOM 189 OE1 GLU A 13 -2.185 -15.319 -1.973 1.00 21.31 O ATOM 190 OE2 GLU A 13 -4.152 -15.016 -2.895 1.00 24.21 O ATOM 0 H GLU A 13 -3.103 -10.937 -5.349 1.00 14.40 H new ATOM 0 HA GLU A 13 -4.105 -12.623 -3.244 1.00 20.02 H new ATOM 0 HB2 GLU A 13 -1.505 -12.169 -4.570 1.00 53.40 H new ATOM 0 HB3 GLU A 13 -1.406 -12.552 -2.863 1.00 53.40 H new ATOM 0 HG2 GLU A 13 -2.915 -14.202 -4.939 1.00 14.23 H new ATOM 0 HG3 GLU A 13 -1.321 -14.583 -4.319 1.00 14.23 H new ATOM 197 N MET A 14 -2.645 -9.702 -2.601 1.00 1.44 N ATOM 198 CA MET A 14 -2.575 -8.671 -1.569 1.00 24.32 C ATOM 199 C MET A 14 -3.993 -8.370 -1.076 1.00 13.34 C ATOM 200 O MET A 14 -4.220 -8.322 0.131 1.00 1.45 O ATOM 201 CB MET A 14 -1.915 -7.392 -2.097 1.00 33.21 C ATOM 202 CG MET A 14 -0.513 -7.582 -2.689 1.00 50.33 C ATOM 203 SD MET A 14 0.117 -6.173 -3.637 1.00 72.44 S ATOM 204 CE MET A 14 0.469 -5.027 -2.283 1.00 33.13 C ATOM 0 H MET A 14 -2.250 -9.431 -3.502 1.00 1.44 H new ATOM 0 HA MET A 14 -1.961 -9.038 -0.746 1.00 24.32 H new ATOM 0 HB2 MET A 14 -2.560 -6.957 -2.861 1.00 33.21 H new ATOM 0 HB3 MET A 14 -1.854 -6.670 -1.283 1.00 33.21 H new ATOM 0 HG2 MET A 14 0.182 -7.794 -1.877 1.00 50.33 H new ATOM 0 HG3 MET A 14 -0.524 -8.459 -3.336 1.00 50.33 H new ATOM 0 HE1 MET A 14 0.901 -4.111 -2.685 1.00 33.13 H new ATOM 0 HE2 MET A 14 -0.456 -4.791 -1.756 1.00 33.13 H new ATOM 0 HE3 MET A 14 1.174 -5.487 -1.591 1.00 33.13 H new ATOM 214 N LEU A 15 -4.952 -8.234 -2.004 1.00 53.31 N ATOM 215 CA LEU A 15 -6.349 -7.993 -1.667 1.00 51.24 C ATOM 216 C LEU A 15 -6.948 -9.177 -0.901 1.00 53.22 C ATOM 217 O LEU A 15 -7.658 -8.955 0.071 1.00 53.34 O ATOM 218 CB LEU A 15 -7.165 -7.701 -2.938 1.00 15.44 C ATOM 219 CG LEU A 15 -8.484 -6.964 -2.610 1.00 72.11 C ATOM 220 CD1 LEU A 15 -8.264 -5.446 -2.578 1.00 53.05 C ATOM 221 CD2 LEU A 15 -9.552 -7.278 -3.663 1.00 22.42 C ATOM 0 H LEU A 15 -4.773 -8.289 -3.007 1.00 53.31 H new ATOM 0 HA LEU A 15 -6.393 -7.120 -1.016 1.00 51.24 H new ATOM 0 HB2 LEU A 15 -6.570 -7.096 -3.622 1.00 15.44 H new ATOM 0 HB3 LEU A 15 -7.388 -8.637 -3.451 1.00 15.44 H new ATOM 0 HG LEU A 15 -8.818 -7.307 -1.631 1.00 72.11 H new ATOM 0 HD11 LEU A 15 -9.205 -4.947 -2.346 1.00 53.05 H new ATOM 0 HD12 LEU A 15 -7.525 -5.201 -1.815 1.00 53.05 H new ATOM 0 HD13 LEU A 15 -7.906 -5.110 -3.551 1.00 53.05 H new ATOM 0 HD21 LEU A 15 -10.473 -6.751 -3.415 1.00 22.42 H new ATOM 0 HD22 LEU A 15 -9.202 -6.956 -4.644 1.00 22.42 H new ATOM 0 HD23 LEU A 15 -9.742 -8.351 -3.680 1.00 22.42 H new ATOM 233 N ALA A 16 -6.693 -10.421 -1.322 1.00 22.11 N ATOM 234 CA ALA A 16 -7.230 -11.618 -0.673 1.00 64.02 C ATOM 235 C ALA A 16 -6.690 -11.782 0.748 1.00 41.40 C ATOM 236 O ALA A 16 -7.422 -12.173 1.660 1.00 64.24 O ATOM 237 CB ALA A 16 -6.864 -12.860 -1.489 1.00 12.25 C ATOM 0 H ALA A 16 -6.103 -10.625 -2.129 1.00 22.11 H new ATOM 0 HA ALA A 16 -8.313 -11.504 -0.620 1.00 64.02 H new ATOM 0 HB1 ALA A 16 -7.266 -13.748 -1.001 1.00 12.25 H new ATOM 0 HB2 ALA A 16 -7.285 -12.774 -2.491 1.00 12.25 H new ATOM 0 HB3 ALA A 16 -5.779 -12.944 -1.557 1.00 12.25 H new ATOM 243 N HIS A 17 -5.405 -11.500 0.935 1.00 64.42 N ATOM 244 CA HIS A 17 -4.772 -11.517 2.234 1.00 5.34 C ATOM 245 C HIS A 17 -5.374 -10.408 3.101 1.00 24.11 C ATOM 246 O HIS A 17 -5.753 -10.655 4.245 1.00 41.52 O ATOM 247 CB HIS A 17 -3.258 -11.365 2.046 1.00 74.22 C ATOM 248 CG HIS A 17 -2.500 -11.372 3.342 1.00 22.44 C ATOM 249 ND1 HIS A 17 -2.661 -12.270 4.373 1.00 14.11 N ATOM 250 CD2 HIS A 17 -1.544 -10.467 3.713 1.00 71.12 C ATOM 251 CE1 HIS A 17 -1.814 -11.909 5.344 1.00 15.23 C ATOM 252 NE2 HIS A 17 -1.113 -10.810 5.001 1.00 72.22 N ATOM 0 H HIS A 17 -4.772 -11.251 0.175 1.00 64.42 H new ATOM 0 HA HIS A 17 -4.949 -12.461 2.749 1.00 5.34 H new ATOM 0 HB2 HIS A 17 -2.893 -12.175 1.414 1.00 74.22 H new ATOM 0 HB3 HIS A 17 -3.055 -10.433 1.518 1.00 74.22 H new ATOM 0 HD1 HIS A 17 -3.304 -13.061 4.393 1.00 14.11 H new ATOM 0 HD2 HIS A 17 -1.186 -9.638 3.120 1.00 71.12 H new ATOM 0 HE1 HIS A 17 -1.706 -12.432 6.283 1.00 15.23 H new ATOM 260 N ALA A 18 -5.517 -9.195 2.562 1.00 42.50 N ATOM 261 CA ALA A 18 -6.101 -8.078 3.283 1.00 33.20 C ATOM 262 C ALA A 18 -7.556 -8.382 3.648 1.00 52.32 C ATOM 263 O ALA A 18 -7.985 -8.024 4.737 1.00 24.11 O ATOM 264 CB ALA A 18 -5.972 -6.801 2.453 1.00 52.11 C ATOM 0 H ALA A 18 -5.228 -8.966 1.611 1.00 42.50 H new ATOM 0 HA ALA A 18 -5.560 -7.924 4.217 1.00 33.20 H new ATOM 0 HB1 ALA A 18 -6.412 -5.966 2.999 1.00 52.11 H new ATOM 0 HB2 ALA A 18 -4.919 -6.595 2.263 1.00 52.11 H new ATOM 0 HB3 ALA A 18 -6.494 -6.929 1.504 1.00 52.11 H new ATOM 270 N GLU A 19 -8.295 -9.093 2.794 1.00 12.32 N ATOM 271 CA GLU A 19 -9.651 -9.552 3.063 1.00 44.11 C ATOM 272 C GLU A 19 -9.708 -10.428 4.314 1.00 72.40 C ATOM 273 O GLU A 19 -10.671 -10.323 5.074 1.00 72.20 O ATOM 274 CB GLU A 19 -10.213 -10.291 1.837 1.00 1.43 C ATOM 275 CG GLU A 19 -10.868 -9.366 0.811 1.00 4.42 C ATOM 276 CD GLU A 19 -12.365 -9.176 1.079 1.00 13.00 C ATOM 277 OE1 GLU A 19 -12.744 -8.237 1.814 1.00 3.15 O ATOM 278 OE2 GLU A 19 -13.183 -9.912 0.485 1.00 61.14 O ATOM 0 H GLU A 19 -7.954 -9.370 1.874 1.00 12.32 H new ATOM 0 HA GLU A 19 -10.275 -8.679 3.256 1.00 44.11 H new ATOM 0 HB2 GLU A 19 -9.406 -10.842 1.354 1.00 1.43 H new ATOM 0 HB3 GLU A 19 -10.945 -11.026 2.171 1.00 1.43 H new ATOM 0 HG2 GLU A 19 -10.371 -8.396 0.829 1.00 4.42 H new ATOM 0 HG3 GLU A 19 -10.728 -9.778 -0.189 1.00 4.42 H new ATOM 285 N GLU A 20 -8.688 -11.259 4.534 1.00 20.21 N ATOM 286 CA GLU A 20 -8.638 -12.211 5.630 1.00 34.42 C ATOM 287 C GLU A 20 -8.312 -11.515 6.953 1.00 63.02 C ATOM 288 O GLU A 20 -9.063 -11.619 7.922 1.00 41.45 O ATOM 289 CB GLU A 20 -7.579 -13.277 5.303 1.00 3.01 C ATOM 290 CG GLU A 20 -7.504 -14.379 6.363 1.00 72.31 C ATOM 291 CD GLU A 20 -8.648 -15.373 6.193 1.00 42.03 C ATOM 292 OE1 GLU A 20 -9.782 -15.053 6.617 1.00 35.12 O ATOM 293 OE2 GLU A 20 -8.427 -16.412 5.524 1.00 13.32 O ATOM 0 H GLU A 20 -7.860 -11.285 3.940 1.00 20.21 H new ATOM 0 HA GLU A 20 -9.615 -12.681 5.745 1.00 34.42 H new ATOM 0 HB2 GLU A 20 -7.806 -13.724 4.335 1.00 3.01 H new ATOM 0 HB3 GLU A 20 -6.604 -12.799 5.212 1.00 3.01 H new ATOM 0 HG2 GLU A 20 -6.549 -14.900 6.286 1.00 72.31 H new ATOM 0 HG3 GLU A 20 -7.546 -13.936 7.358 1.00 72.31 H new ATOM 300 N THR A 21 -7.152 -10.857 7.010 1.00 20.42 N ATOM 301 CA THR A 21 -6.566 -10.324 8.242 1.00 11.12 C ATOM 302 C THR A 21 -6.982 -8.861 8.463 1.00 63.52 C ATOM 303 O THR A 21 -6.647 -8.285 9.495 1.00 22.52 O ATOM 304 CB THR A 21 -5.044 -10.614 8.291 1.00 64.20 C ATOM 305 OG1 THR A 21 -4.283 -9.850 9.201 1.00 65.20 O ATOM 306 CG2 THR A 21 -4.374 -10.566 6.933 1.00 20.54 C ATOM 0 H THR A 21 -6.582 -10.676 6.184 1.00 20.42 H new ATOM 0 HA THR A 21 -6.971 -10.846 9.109 1.00 11.12 H new ATOM 0 HB THR A 21 -5.044 -11.636 8.671 1.00 64.20 H new ATOM 0 HG1 THR A 21 -4.838 -9.131 9.568 1.00 65.20 H new ATOM 0 HG21 THR A 21 -3.311 -10.778 7.044 1.00 20.54 H new ATOM 0 HG22 THR A 21 -4.826 -11.310 6.278 1.00 20.54 H new ATOM 0 HG23 THR A 21 -4.502 -9.575 6.499 1.00 20.54 H new ATOM 314 N ARG A 22 -7.721 -8.256 7.523 1.00 72.34 N ATOM 315 CA ARG A 22 -8.188 -6.864 7.537 1.00 44.21 C ATOM 316 C ARG A 22 -7.039 -5.862 7.608 1.00 51.11 C ATOM 317 O ARG A 22 -7.282 -4.682 7.861 1.00 11.44 O ATOM 318 CB ARG A 22 -9.274 -6.645 8.601 1.00 42.04 C ATOM 319 CG ARG A 22 -10.614 -7.303 8.245 1.00 1.35 C ATOM 320 CD ARG A 22 -10.585 -8.837 8.231 1.00 22.20 C ATOM 321 NE ARG A 22 -11.932 -9.403 8.142 1.00 0.31 N ATOM 322 CZ ARG A 22 -12.835 -9.430 9.124 1.00 45.24 C ATOM 323 NH1 ARG A 22 -12.547 -9.026 10.358 1.00 44.05 N ATOM 324 NH2 ARG A 22 -14.044 -9.879 8.852 1.00 20.40 N ATOM 0 H ARG A 22 -8.026 -8.753 6.686 1.00 72.34 H new ATOM 0 HA ARG A 22 -8.667 -6.668 6.577 1.00 44.21 H new ATOM 0 HB2 ARG A 22 -8.924 -7.042 9.554 1.00 42.04 H new ATOM 0 HB3 ARG A 22 -9.428 -5.575 8.738 1.00 42.04 H new ATOM 0 HG2 ARG A 22 -11.368 -6.973 8.960 1.00 1.35 H new ATOM 0 HG3 ARG A 22 -10.929 -6.949 7.263 1.00 1.35 H new ATOM 0 HD2 ARG A 22 -9.989 -9.182 7.386 1.00 22.20 H new ATOM 0 HD3 ARG A 22 -10.097 -9.200 9.135 1.00 22.20 H new ATOM 0 HE ARG A 22 -12.205 -9.814 7.249 1.00 0.31 H new ATOM 0 HH11 ARG A 22 -11.612 -8.682 10.577 1.00 44.05 H new ATOM 0 HH12 ARG A 22 -13.261 -9.060 11.085 1.00 44.05 H new ATOM 0 HH21 ARG A 22 -14.270 -10.195 7.909 1.00 20.40 H new ATOM 0 HH22 ARG A 22 -14.753 -9.910 9.584 1.00 20.40 H new ATOM 338 N LYS A 23 -5.814 -6.320 7.314 1.00 74.05 N ATOM 339 CA LYS A 23 -4.629 -5.491 7.173 1.00 52.25 C ATOM 340 C LYS A 23 -4.979 -4.273 6.341 1.00 71.24 C ATOM 341 O LYS A 23 -5.403 -4.424 5.192 1.00 11.03 O ATOM 342 CB LYS A 23 -3.464 -6.260 6.547 1.00 62.54 C ATOM 343 CG LYS A 23 -2.842 -7.228 7.549 1.00 5.25 C ATOM 344 CD LYS A 23 -1.733 -8.042 6.887 1.00 74.53 C ATOM 345 CE LYS A 23 -1.091 -8.986 7.898 1.00 32.41 C ATOM 346 NZ LYS A 23 0.307 -9.325 7.561 1.00 12.14 N ATOM 0 H LYS A 23 -5.624 -7.311 7.165 1.00 74.05 H new ATOM 0 HA LYS A 23 -4.301 -5.180 8.165 1.00 52.25 H new ATOM 0 HB2 LYS A 23 -3.815 -6.811 5.675 1.00 62.54 H new ATOM 0 HB3 LYS A 23 -2.707 -5.558 6.197 1.00 62.54 H new ATOM 0 HG2 LYS A 23 -2.438 -6.674 8.397 1.00 5.25 H new ATOM 0 HG3 LYS A 23 -3.608 -7.897 7.941 1.00 5.25 H new ATOM 0 HD2 LYS A 23 -2.141 -8.614 6.054 1.00 74.53 H new ATOM 0 HD3 LYS A 23 -0.978 -7.372 6.475 1.00 74.53 H new ATOM 0 HE2 LYS A 23 -1.120 -8.526 8.886 1.00 32.41 H new ATOM 0 HE3 LYS A 23 -1.678 -9.903 7.955 1.00 32.41 H new ATOM 0 HZ1 LYS A 23 0.719 -9.899 8.324 1.00 12.14 H new ATOM 0 HZ2 LYS A 23 0.329 -9.864 6.672 1.00 12.14 H new ATOM 0 HZ3 LYS A 23 0.859 -8.451 7.449 1.00 12.14 H new ATOM 360 N LEU A 24 -4.769 -3.096 6.919 1.00 41.30 N ATOM 361 CA LEU A 24 -4.892 -1.813 6.254 1.00 50.21 C ATOM 362 C LEU A 24 -4.128 -1.876 4.939 1.00 45.35 C ATOM 363 O LEU A 24 -2.912 -2.017 4.939 1.00 33.23 O ATOM 364 CB LEU A 24 -4.388 -0.707 7.189 1.00 70.32 C ATOM 365 CG LEU A 24 -4.068 0.649 6.528 1.00 44.23 C ATOM 366 CD1 LEU A 24 -5.076 1.228 5.532 1.00 34.11 C ATOM 367 CD2 LEU A 24 -3.894 1.717 7.617 1.00 75.20 C ATOM 0 H LEU A 24 -4.499 -3.011 7.899 1.00 41.30 H new ATOM 0 HA LEU A 24 -5.931 -1.581 6.022 1.00 50.21 H new ATOM 0 HB2 LEU A 24 -5.139 -0.543 7.962 1.00 70.32 H new ATOM 0 HB3 LEU A 24 -3.488 -1.065 7.690 1.00 70.32 H new ATOM 0 HG LEU A 24 -3.174 0.418 5.949 1.00 44.23 H new ATOM 0 HD11 LEU A 24 -4.708 2.183 5.156 1.00 34.11 H new ATOM 0 HD12 LEU A 24 -5.205 0.535 4.700 1.00 34.11 H new ATOM 0 HD13 LEU A 24 -6.034 1.379 6.030 1.00 34.11 H new ATOM 0 HD21 LEU A 24 -3.668 2.677 7.153 1.00 75.20 H new ATOM 0 HD22 LEU A 24 -4.815 1.801 8.194 1.00 75.20 H new ATOM 0 HD23 LEU A 24 -3.076 1.432 8.279 1.00 75.20 H new ATOM 379 N MET A 25 -4.822 -1.782 3.814 1.00 70.11 N ATOM 380 CA MET A 25 -4.216 -1.833 2.496 1.00 54.42 C ATOM 381 C MET A 25 -4.251 -0.422 1.901 1.00 24.01 C ATOM 382 O MET A 25 -5.237 -0.055 1.261 1.00 24.22 O ATOM 383 CB MET A 25 -4.957 -2.888 1.659 1.00 10.03 C ATOM 384 CG MET A 25 -4.405 -3.060 0.244 1.00 52.12 C ATOM 385 SD MET A 25 -4.847 -4.662 -0.483 1.00 55.21 S ATOM 386 CE MET A 25 -4.812 -4.223 -2.234 1.00 2.23 C ATOM 0 H MET A 25 -5.835 -1.667 3.793 1.00 70.11 H new ATOM 0 HA MET A 25 -3.170 -2.139 2.524 1.00 54.42 H new ATOM 0 HB2 MET A 25 -4.908 -3.846 2.176 1.00 10.03 H new ATOM 0 HB3 MET A 25 -6.010 -2.613 1.596 1.00 10.03 H new ATOM 0 HG2 MET A 25 -4.785 -2.259 -0.391 1.00 52.12 H new ATOM 0 HG3 MET A 25 -3.320 -2.962 0.266 1.00 52.12 H new ATOM 0 HE1 MET A 25 -5.062 -5.098 -2.834 1.00 2.23 H new ATOM 0 HE2 MET A 25 -5.537 -3.432 -2.425 1.00 2.23 H new ATOM 0 HE3 MET A 25 -3.815 -3.873 -2.502 1.00 2.23 H new ATOM 396 N PRO A 26 -3.258 0.443 2.176 1.00 34.43 N ATOM 397 CA PRO A 26 -3.204 1.754 1.550 1.00 23.24 C ATOM 398 C PRO A 26 -3.051 1.585 0.028 1.00 13.14 C ATOM 399 O PRO A 26 -2.321 0.706 -0.441 1.00 74.12 O ATOM 400 CB PRO A 26 -2.041 2.488 2.228 1.00 54.12 C ATOM 401 CG PRO A 26 -1.132 1.366 2.692 1.00 24.15 C ATOM 402 CD PRO A 26 -2.074 0.207 2.983 1.00 11.31 C ATOM 0 HA PRO A 26 -4.112 2.343 1.679 1.00 23.24 H new ATOM 0 HB2 PRO A 26 -1.531 3.157 1.535 1.00 54.12 H new ATOM 0 HB3 PRO A 26 -2.384 3.097 3.064 1.00 54.12 H new ATOM 0 HG2 PRO A 26 -0.404 1.102 1.925 1.00 24.15 H new ATOM 0 HG3 PRO A 26 -0.569 1.653 3.580 1.00 24.15 H new ATOM 0 HD2 PRO A 26 -1.611 -0.746 2.727 1.00 11.31 H new ATOM 0 HD3 PRO A 26 -2.326 0.165 4.043 1.00 11.31 H new ATOM 410 N ILE A 27 -3.763 2.419 -0.729 1.00 33.44 N ATOM 411 CA ILE A 27 -3.948 2.397 -2.174 1.00 35.40 C ATOM 412 C ILE A 27 -3.840 3.857 -2.606 1.00 33.41 C ATOM 413 O ILE A 27 -4.525 4.713 -2.048 1.00 34.52 O ATOM 414 CB ILE A 27 -5.339 1.810 -2.520 1.00 33.51 C ATOM 415 CG1 ILE A 27 -5.421 0.304 -2.182 1.00 64.42 C ATOM 416 CG2 ILE A 27 -5.698 2.027 -4.006 1.00 64.23 C ATOM 417 CD1 ILE A 27 -6.861 -0.153 -1.948 1.00 35.02 C ATOM 0 H ILE A 27 -4.269 3.196 -0.305 1.00 33.44 H new ATOM 0 HA ILE A 27 -3.213 1.775 -2.684 1.00 35.40 H new ATOM 0 HB ILE A 27 -6.062 2.347 -1.906 1.00 33.51 H new ATOM 0 HG12 ILE A 27 -4.985 -0.275 -2.996 1.00 64.42 H new ATOM 0 HG13 ILE A 27 -4.827 0.099 -1.292 1.00 64.42 H new ATOM 0 HG21 ILE A 27 -6.681 1.601 -4.209 1.00 64.23 H new ATOM 0 HG22 ILE A 27 -5.713 3.095 -4.225 1.00 64.23 H new ATOM 0 HG23 ILE A 27 -4.954 1.538 -4.635 1.00 64.23 H new ATOM 0 HD11 ILE A 27 -6.871 -1.217 -1.714 1.00 35.02 H new ATOM 0 HD12 ILE A 27 -7.290 0.406 -1.116 1.00 35.02 H new ATOM 0 HD13 ILE A 27 -7.450 0.026 -2.847 1.00 35.02 H new ATOM 429 N CYS A 28 -3.019 4.160 -3.605 1.00 44.11 N ATOM 430 CA CYS A 28 -2.852 5.515 -4.099 1.00 51.12 C ATOM 431 C CYS A 28 -3.929 5.758 -5.166 1.00 44.21 C ATOM 432 O CYS A 28 -4.095 4.926 -6.056 1.00 52.14 O ATOM 433 CB CYS A 28 -1.424 5.660 -4.640 1.00 32.33 C ATOM 434 SG CYS A 28 -0.189 4.947 -3.506 1.00 61.13 S ATOM 0 H CYS A 28 -2.451 3.469 -4.094 1.00 44.11 H new ATOM 0 HA CYS A 28 -2.978 6.266 -3.319 1.00 51.12 H new ATOM 0 HB2 CYS A 28 -1.352 5.168 -5.610 1.00 32.33 H new ATOM 0 HB3 CYS A 28 -1.202 6.715 -4.800 1.00 32.33 H new ATOM 0 HG CYS A 28 1.000 5.094 -4.011 1.00 61.13 H new ATOM 440 N MET A 29 -4.686 6.859 -5.079 1.00 63.03 N ATOM 441 CA MET A 29 -5.804 7.189 -5.974 1.00 73.03 C ATOM 442 C MET A 29 -5.303 7.467 -7.395 1.00 54.20 C ATOM 443 O MET A 29 -6.100 7.551 -8.328 1.00 60.43 O ATOM 444 CB MET A 29 -6.558 8.403 -5.404 1.00 23.44 C ATOM 445 CG MET A 29 -7.995 8.602 -5.869 1.00 32.31 C ATOM 446 SD MET A 29 -8.869 9.955 -5.009 1.00 30.21 S ATOM 447 CE MET A 29 -8.718 9.493 -3.248 1.00 23.41 C ATOM 0 H MET A 29 -4.533 7.567 -4.361 1.00 63.03 H new ATOM 0 HA MET A 29 -6.485 6.340 -6.033 1.00 73.03 H new ATOM 0 HB2 MET A 29 -6.561 8.321 -4.317 1.00 23.44 H new ATOM 0 HB3 MET A 29 -5.993 9.301 -5.654 1.00 23.44 H new ATOM 0 HG2 MET A 29 -7.995 8.805 -6.940 1.00 32.31 H new ATOM 0 HG3 MET A 29 -8.547 7.674 -5.720 1.00 32.31 H new ATOM 0 HE1 MET A 29 -9.287 10.194 -2.638 1.00 23.41 H new ATOM 0 HE2 MET A 29 -9.107 8.485 -3.102 1.00 23.41 H new ATOM 0 HE3 MET A 29 -7.669 9.524 -2.952 1.00 23.41 H new ATOM 457 N ASP A 30 -3.992 7.662 -7.564 1.00 15.13 N ATOM 458 CA ASP A 30 -3.335 7.790 -8.859 1.00 30.44 C ATOM 459 C ASP A 30 -3.344 6.446 -9.585 1.00 52.31 C ATOM 460 O ASP A 30 -3.441 6.436 -10.817 1.00 65.24 O ATOM 461 CB ASP A 30 -1.928 8.408 -8.703 1.00 12.45 C ATOM 462 CG ASP A 30 -0.885 7.398 -8.245 1.00 23.31 C ATOM 463 OD1 ASP A 30 -0.361 6.644 -9.088 1.00 54.24 O ATOM 464 OD2 ASP A 30 -0.677 7.376 -7.008 1.00 20.34 O ATOM 0 H ASP A 30 -3.345 7.737 -6.779 1.00 15.13 H new ATOM 0 HA ASP A 30 -3.891 8.485 -9.488 1.00 30.44 H new ATOM 0 HB2 ASP A 30 -1.617 8.837 -9.656 1.00 12.45 H new ATOM 0 HB3 ASP A 30 -1.974 9.227 -7.985 1.00 12.45 H new ATOM 469 N VAL A 31 -3.385 5.316 -8.872 1.00 71.11 N ATOM 470 CA VAL A 31 -3.342 4.000 -9.486 1.00 4.21 C ATOM 471 C VAL A 31 -4.762 3.545 -9.830 1.00 42.22 C ATOM 472 O VAL A 31 -5.405 2.802 -9.082 1.00 1.34 O ATOM 473 CB VAL A 31 -2.554 2.986 -8.626 1.00 5.35 C ATOM 474 CG1 VAL A 31 -2.288 1.702 -9.425 1.00 62.34 C ATOM 475 CG2 VAL A 31 -1.190 3.525 -8.176 1.00 24.14 C ATOM 0 H VAL A 31 -3.449 5.296 -7.854 1.00 71.11 H new ATOM 0 HA VAL A 31 -2.786 4.059 -10.422 1.00 4.21 H new ATOM 0 HB VAL A 31 -3.172 2.794 -7.749 1.00 5.35 H new ATOM 0 HG11 VAL A 31 -1.732 0.997 -8.807 1.00 62.34 H new ATOM 0 HG12 VAL A 31 -3.237 1.255 -9.722 1.00 62.34 H new ATOM 0 HG13 VAL A 31 -1.706 1.941 -10.315 1.00 62.34 H new ATOM 0 HG21 VAL A 31 -0.681 2.771 -7.576 1.00 24.14 H new ATOM 0 HG22 VAL A 31 -0.585 3.761 -9.052 1.00 24.14 H new ATOM 0 HG23 VAL A 31 -1.334 4.427 -7.581 1.00 24.14 H new ATOM 485 N ARG A 32 -5.252 3.969 -11.002 1.00 64.23 N ATOM 486 CA ARG A 32 -6.570 3.577 -11.504 1.00 25.02 C ATOM 487 C ARG A 32 -6.716 2.056 -11.565 1.00 5.32 C ATOM 488 O ARG A 32 -7.806 1.550 -11.321 1.00 21.23 O ATOM 489 CB ARG A 32 -6.848 4.196 -12.892 1.00 40.11 C ATOM 490 CG ARG A 32 -8.085 5.110 -12.933 1.00 13.12 C ATOM 491 CD ARG A 32 -7.780 6.510 -12.390 1.00 60.22 C ATOM 492 NE ARG A 32 -8.877 7.451 -12.652 1.00 14.52 N ATOM 493 CZ ARG A 32 -8.864 8.771 -12.425 1.00 40.34 C ATOM 494 NH1 ARG A 32 -7.846 9.363 -11.805 1.00 61.13 N ATOM 495 NH2 ARG A 32 -9.910 9.495 -12.797 1.00 23.40 N ATOM 0 H ARG A 32 -4.743 4.594 -11.627 1.00 64.23 H new ATOM 0 HA ARG A 32 -7.308 3.962 -10.801 1.00 25.02 H new ATOM 0 HB2 ARG A 32 -5.975 4.769 -13.204 1.00 40.11 H new ATOM 0 HB3 ARG A 32 -6.978 3.393 -13.617 1.00 40.11 H new ATOM 0 HG2 ARG A 32 -8.444 5.189 -13.959 1.00 13.12 H new ATOM 0 HG3 ARG A 32 -8.888 4.661 -12.348 1.00 13.12 H new ATOM 0 HD2 ARG A 32 -7.601 6.452 -11.316 1.00 60.22 H new ATOM 0 HD3 ARG A 32 -6.864 6.885 -12.846 1.00 60.22 H new ATOM 0 HE ARG A 32 -9.733 7.061 -13.046 1.00 14.52 H new ATOM 0 HH11 ARG A 32 -7.049 8.809 -11.490 1.00 61.13 H new ATOM 0 HH12 ARG A 32 -7.862 10.370 -11.645 1.00 61.13 H new ATOM 0 HH21 ARG A 32 -10.707 9.046 -13.248 1.00 23.40 H new ATOM 0 HH22 ARG A 32 -9.918 10.502 -12.632 1.00 23.40 H new ATOM 509 N ALA A 33 -5.633 1.331 -11.861 1.00 73.11 N ATOM 510 CA ALA A 33 -5.659 -0.115 -12.027 1.00 71.22 C ATOM 511 C ALA A 33 -6.144 -0.825 -10.764 1.00 54.13 C ATOM 512 O ALA A 33 -6.987 -1.723 -10.833 1.00 4.34 O ATOM 513 CB ALA A 33 -4.259 -0.611 -12.400 1.00 42.13 C ATOM 0 H ALA A 33 -4.708 1.740 -11.992 1.00 73.11 H new ATOM 0 HA ALA A 33 -6.363 -0.350 -12.825 1.00 71.22 H new ATOM 0 HB1 ALA A 33 -4.278 -1.694 -12.524 1.00 42.13 H new ATOM 0 HB2 ALA A 33 -3.944 -0.144 -13.333 1.00 42.13 H new ATOM 0 HB3 ALA A 33 -3.557 -0.349 -11.608 1.00 42.13 H new ATOM 519 N ILE A 34 -5.586 -0.442 -9.616 1.00 73.40 N ATOM 520 CA ILE A 34 -5.960 -0.990 -8.322 1.00 33.10 C ATOM 521 C ILE A 34 -7.344 -0.455 -7.973 1.00 73.42 C ATOM 522 O ILE A 34 -8.237 -1.242 -7.651 1.00 70.05 O ATOM 523 CB ILE A 34 -4.875 -0.674 -7.278 1.00 24.20 C ATOM 524 CG1 ILE A 34 -3.604 -1.419 -7.748 1.00 4.43 C ATOM 525 CG2 ILE A 34 -5.335 -1.104 -5.872 1.00 14.11 C ATOM 526 CD1 ILE A 34 -2.554 -1.607 -6.676 1.00 54.43 C ATOM 0 H ILE A 34 -4.854 0.266 -9.563 1.00 73.40 H new ATOM 0 HA ILE A 34 -6.023 -2.078 -8.343 1.00 33.10 H new ATOM 0 HB ILE A 34 -4.674 0.394 -7.201 1.00 24.20 H new ATOM 0 HG12 ILE A 34 -3.893 -2.398 -8.131 1.00 4.43 H new ATOM 0 HG13 ILE A 34 -3.162 -0.869 -8.579 1.00 4.43 H new ATOM 0 HG21 ILE A 34 -4.555 -0.873 -5.147 1.00 14.11 H new ATOM 0 HG22 ILE A 34 -6.246 -0.568 -5.608 1.00 14.11 H new ATOM 0 HG23 ILE A 34 -5.530 -2.176 -5.865 1.00 14.11 H new ATOM 0 HD11 ILE A 34 -1.699 -2.138 -7.094 1.00 54.43 H new ATOM 0 HD12 ILE A 34 -2.232 -0.633 -6.307 1.00 54.43 H new ATOM 0 HD13 ILE A 34 -2.974 -2.186 -5.853 1.00 54.43 H new ATOM 538 N MET A 35 -7.536 0.865 -8.089 1.00 44.23 N ATOM 539 CA MET A 35 -8.797 1.537 -7.802 1.00 2.35 C ATOM 540 C MET A 35 -9.979 0.804 -8.455 1.00 21.32 C ATOM 541 O MET A 35 -10.977 0.554 -7.776 1.00 23.14 O ATOM 542 CB MET A 35 -8.694 3.006 -8.244 1.00 53.43 C ATOM 543 CG MET A 35 -9.880 3.864 -7.787 1.00 44.25 C ATOM 544 SD MET A 35 -9.459 5.283 -6.739 1.00 53.04 S ATOM 545 CE MET A 35 -8.829 4.481 -5.240 1.00 32.23 C ATOM 0 H MET A 35 -6.800 1.503 -8.392 1.00 44.23 H new ATOM 0 HA MET A 35 -8.989 1.517 -6.729 1.00 2.35 H new ATOM 0 HB2 MET A 35 -7.772 3.433 -7.848 1.00 53.43 H new ATOM 0 HB3 MET A 35 -8.623 3.047 -9.331 1.00 53.43 H new ATOM 0 HG2 MET A 35 -10.403 4.230 -8.671 1.00 44.25 H new ATOM 0 HG3 MET A 35 -10.578 3.228 -7.243 1.00 44.25 H new ATOM 0 HE1 MET A 35 -8.569 5.241 -4.503 1.00 32.23 H new ATOM 0 HE2 MET A 35 -9.596 3.824 -4.829 1.00 32.23 H new ATOM 0 HE3 MET A 35 -7.943 3.896 -5.485 1.00 32.23 H new ATOM 555 N ALA A 36 -9.858 0.403 -9.725 1.00 72.31 N ATOM 556 CA ALA A 36 -10.879 -0.328 -10.466 1.00 24.32 C ATOM 557 C ALA A 36 -11.236 -1.664 -9.813 1.00 32.33 C ATOM 558 O ALA A 36 -12.420 -1.986 -9.712 1.00 25.30 O ATOM 559 CB ALA A 36 -10.407 -0.583 -11.900 1.00 24.34 C ATOM 0 H ALA A 36 -9.020 0.586 -10.278 1.00 72.31 H new ATOM 0 HA ALA A 36 -11.774 0.294 -10.464 1.00 24.32 H new ATOM 0 HB1 ALA A 36 -11.177 -1.130 -12.445 1.00 24.34 H new ATOM 0 HB2 ALA A 36 -10.218 0.369 -12.396 1.00 24.34 H new ATOM 0 HB3 ALA A 36 -9.489 -1.171 -11.882 1.00 24.34 H new ATOM 565 N THR A 37 -10.256 -2.461 -9.376 1.00 62.45 N ATOM 566 CA THR A 37 -10.535 -3.745 -8.738 1.00 70.11 C ATOM 567 C THR A 37 -11.322 -3.541 -7.454 1.00 30.52 C ATOM 568 O THR A 37 -12.247 -4.322 -7.200 1.00 33.11 O ATOM 569 CB THR A 37 -9.238 -4.539 -8.512 1.00 53.32 C ATOM 570 OG1 THR A 37 -8.851 -5.047 -9.772 1.00 73.05 O ATOM 571 CG2 THR A 37 -9.360 -5.698 -7.503 1.00 35.10 C ATOM 0 H THR A 37 -9.264 -2.237 -9.454 1.00 62.45 H new ATOM 0 HA THR A 37 -11.156 -4.342 -9.405 1.00 70.11 H new ATOM 0 HB THR A 37 -8.502 -3.864 -8.076 1.00 53.32 H new ATOM 0 HG1 THR A 37 -8.513 -5.961 -9.666 1.00 73.05 H new ATOM 0 HG21 THR A 37 -8.397 -6.200 -7.408 1.00 35.10 H new ATOM 0 HG22 THR A 37 -9.662 -5.305 -6.532 1.00 35.10 H new ATOM 0 HG23 THR A 37 -10.107 -6.409 -7.855 1.00 35.10 H new ATOM 579 N ILE A 38 -10.997 -2.506 -6.673 1.00 31.20 N ATOM 580 CA ILE A 38 -11.769 -2.203 -5.486 1.00 71.01 C ATOM 581 C ILE A 38 -13.177 -1.841 -5.950 1.00 61.02 C ATOM 582 O ILE A 38 -14.111 -2.479 -5.495 1.00 41.42 O ATOM 583 CB ILE A 38 -11.092 -1.141 -4.590 1.00 44.33 C ATOM 584 CG1 ILE A 38 -9.894 -1.722 -3.806 1.00 2.41 C ATOM 585 CG2 ILE A 38 -12.065 -0.587 -3.532 1.00 34.32 C ATOM 586 CD1 ILE A 38 -8.628 -1.891 -4.640 1.00 52.23 C ATOM 0 H ILE A 38 -10.213 -1.877 -6.846 1.00 31.20 H new ATOM 0 HA ILE A 38 -11.828 -3.069 -4.827 1.00 71.01 H new ATOM 0 HB ILE A 38 -10.764 -0.358 -5.274 1.00 44.33 H new ATOM 0 HG12 ILE A 38 -9.675 -1.069 -2.961 1.00 2.41 H new ATOM 0 HG13 ILE A 38 -10.178 -2.691 -3.395 1.00 2.41 H new ATOM 0 HG21 ILE A 38 -11.553 0.157 -2.921 1.00 34.32 H new ATOM 0 HG22 ILE A 38 -12.918 -0.124 -4.029 1.00 34.32 H new ATOM 0 HG23 ILE A 38 -12.413 -1.401 -2.896 1.00 34.32 H new ATOM 0 HD11 ILE A 38 -7.834 -2.304 -4.017 1.00 52.23 H new ATOM 0 HD12 ILE A 38 -8.827 -2.569 -5.470 1.00 52.23 H new ATOM 0 HD13 ILE A 38 -8.317 -0.922 -5.029 1.00 52.23 H new ATOM 598 N GLN A 39 -13.361 -0.905 -6.883 1.00 72.21 N ATOM 599 CA GLN A 39 -14.704 -0.418 -7.212 1.00 54.32 C ATOM 600 C GLN A 39 -15.558 -1.478 -7.930 1.00 34.22 C ATOM 601 O GLN A 39 -16.788 -1.385 -7.972 1.00 13.13 O ATOM 602 CB GLN A 39 -14.612 0.898 -8.005 1.00 41.21 C ATOM 603 CG GLN A 39 -13.850 2.046 -7.309 1.00 5.22 C ATOM 604 CD GLN A 39 -13.542 1.835 -5.845 1.00 25.12 C ATOM 605 OE1 GLN A 39 -14.442 1.695 -5.034 1.00 72.12 O ATOM 606 NE2 GLN A 39 -12.273 1.847 -5.477 1.00 20.51 N ATOM 0 H GLN A 39 -12.608 -0.473 -7.419 1.00 72.21 H new ATOM 0 HA GLN A 39 -15.224 -0.213 -6.276 1.00 54.32 H new ATOM 0 HB2 GLN A 39 -14.129 0.692 -8.960 1.00 41.21 H new ATOM 0 HB3 GLN A 39 -15.623 1.239 -8.226 1.00 41.21 H new ATOM 0 HG2 GLN A 39 -12.912 2.208 -7.839 1.00 5.22 H new ATOM 0 HG3 GLN A 39 -14.435 2.960 -7.410 1.00 5.22 H new ATOM 0 HE21 GLN A 39 -11.540 1.966 -6.177 1.00 20.51 H new ATOM 0 HE22 GLN A 39 -12.026 1.737 -4.493 1.00 20.51 H new ATOM 615 N ARG A 40 -14.935 -2.513 -8.494 1.00 12.11 N ATOM 616 CA ARG A 40 -15.614 -3.737 -8.910 1.00 63.12 C ATOM 617 C ARG A 40 -16.053 -4.550 -7.691 1.00 25.33 C ATOM 618 O ARG A 40 -17.220 -4.918 -7.564 1.00 51.13 O ATOM 619 CB ARG A 40 -14.689 -4.561 -9.830 1.00 13.25 C ATOM 620 CG ARG A 40 -14.830 -4.135 -11.295 1.00 3.04 C ATOM 621 CD ARG A 40 -14.153 -5.141 -12.237 1.00 15.10 C ATOM 622 NE ARG A 40 -14.741 -5.067 -13.581 1.00 61.02 N ATOM 623 CZ ARG A 40 -14.463 -5.825 -14.644 1.00 75.10 C ATOM 624 NH1 ARG A 40 -13.481 -6.715 -14.598 1.00 14.15 N ATOM 625 NH2 ARG A 40 -15.175 -5.693 -15.757 1.00 4.31 N ATOM 0 H ARG A 40 -13.932 -2.523 -8.676 1.00 12.11 H new ATOM 0 HA ARG A 40 -16.511 -3.475 -9.470 1.00 63.12 H new ATOM 0 HB2 ARG A 40 -13.654 -4.437 -9.512 1.00 13.25 H new ATOM 0 HB3 ARG A 40 -14.928 -5.620 -9.733 1.00 13.25 H new ATOM 0 HG2 ARG A 40 -15.886 -4.048 -11.551 1.00 3.04 H new ATOM 0 HG3 ARG A 40 -14.387 -3.149 -11.433 1.00 3.04 H new ATOM 0 HD2 ARG A 40 -13.084 -4.935 -12.290 1.00 15.10 H new ATOM 0 HD3 ARG A 40 -14.264 -6.150 -11.841 1.00 15.10 H new ATOM 0 HE ARG A 40 -15.450 -4.347 -13.719 1.00 61.02 H new ATOM 0 HH11 ARG A 40 -12.931 -6.824 -13.746 1.00 14.15 H new ATOM 0 HH12 ARG A 40 -13.275 -7.290 -15.415 1.00 14.15 H new ATOM 0 HH21 ARG A 40 -15.934 -5.013 -15.799 1.00 4.31 H new ATOM 0 HH22 ARG A 40 -14.963 -6.272 -16.570 1.00 4.31 H new ATOM 639 N LYS A 41 -15.104 -4.896 -6.820 1.00 34.15 N ATOM 640 CA LYS A 41 -15.312 -5.853 -5.736 1.00 60.42 C ATOM 641 C LYS A 41 -16.221 -5.269 -4.654 1.00 21.02 C ATOM 642 O LYS A 41 -17.127 -5.929 -4.154 1.00 31.44 O ATOM 643 CB LYS A 41 -13.935 -6.261 -5.185 1.00 22.03 C ATOM 644 CG LYS A 41 -13.911 -7.529 -4.324 1.00 13.42 C ATOM 645 CD LYS A 41 -14.532 -7.343 -2.935 1.00 13.02 C ATOM 646 CE LYS A 41 -13.802 -8.220 -1.918 1.00 61.02 C ATOM 647 NZ LYS A 41 -14.020 -9.671 -2.096 1.00 64.11 N ATOM 0 H LYS A 41 -14.159 -4.514 -6.849 1.00 34.15 H new ATOM 0 HA LYS A 41 -15.822 -6.741 -6.109 1.00 60.42 H new ATOM 0 HB2 LYS A 41 -13.255 -6.402 -6.025 1.00 22.03 H new ATOM 0 HB3 LYS A 41 -13.542 -5.435 -4.593 1.00 22.03 H new ATOM 0 HG2 LYS A 41 -14.444 -8.323 -4.847 1.00 13.42 H new ATOM 0 HG3 LYS A 41 -12.879 -7.860 -4.209 1.00 13.42 H new ATOM 0 HD2 LYS A 41 -14.470 -6.296 -2.637 1.00 13.02 H new ATOM 0 HD3 LYS A 41 -15.590 -7.605 -2.962 1.00 13.02 H new ATOM 0 HE2 LYS A 41 -12.733 -8.015 -1.980 1.00 61.02 H new ATOM 0 HE3 LYS A 41 -14.123 -7.937 -0.916 1.00 61.02 H new ATOM 0 HZ1 LYS A 41 -13.776 -10.169 -1.216 1.00 64.11 H new ATOM 0 HZ2 LYS A 41 -15.019 -9.846 -2.328 1.00 64.11 H new ATOM 0 HZ3 LYS A 41 -13.419 -10.020 -2.869 1.00 64.11 H new ATOM 661 N TYR A 42 -15.960 -4.036 -4.250 1.00 20.33 N ATOM 662 CA TYR A 42 -16.586 -3.351 -3.143 1.00 62.02 C ATOM 663 C TYR A 42 -17.576 -2.349 -3.745 1.00 45.22 C ATOM 664 O TYR A 42 -17.157 -1.419 -4.440 1.00 14.41 O ATOM 665 CB TYR A 42 -15.511 -2.667 -2.290 1.00 31.03 C ATOM 666 CG TYR A 42 -14.530 -3.624 -1.640 1.00 3.22 C ATOM 667 CD1 TYR A 42 -14.839 -4.284 -0.432 1.00 44.55 C ATOM 668 CD2 TYR A 42 -13.304 -3.877 -2.276 1.00 3.24 C ATOM 669 CE1 TYR A 42 -13.929 -5.202 0.124 1.00 73.32 C ATOM 670 CE2 TYR A 42 -12.382 -4.774 -1.720 1.00 20.13 C ATOM 671 CZ TYR A 42 -12.697 -5.447 -0.522 1.00 34.21 C ATOM 672 OH TYR A 42 -11.842 -6.392 -0.061 1.00 74.43 O ATOM 0 H TYR A 42 -15.263 -3.457 -4.718 1.00 20.33 H new ATOM 0 HA TYR A 42 -17.120 -4.035 -2.484 1.00 62.02 H new ATOM 0 HB2 TYR A 42 -14.958 -1.967 -2.916 1.00 31.03 H new ATOM 0 HB3 TYR A 42 -15.999 -2.081 -1.511 1.00 31.03 H new ATOM 0 HD1 TYR A 42 -15.776 -4.084 0.067 1.00 44.55 H new ATOM 0 HD2 TYR A 42 -13.069 -3.375 -3.203 1.00 3.24 H new ATOM 0 HE1 TYR A 42 -14.172 -5.717 1.041 1.00 73.32 H new ATOM 0 HE2 TYR A 42 -11.434 -4.949 -2.207 1.00 20.13 H new ATOM 0 HH TYR A 42 -12.216 -6.806 0.745 1.00 74.43 H new ATOM 682 N LYS A 43 -18.886 -2.530 -3.535 1.00 3.14 N ATOM 683 CA LYS A 43 -19.892 -1.648 -4.142 1.00 70.14 C ATOM 684 C LYS A 43 -20.430 -0.557 -3.214 1.00 50.03 C ATOM 685 O LYS A 43 -21.049 0.387 -3.701 1.00 30.51 O ATOM 686 CB LYS A 43 -21.004 -2.452 -4.805 1.00 54.32 C ATOM 687 CG LYS A 43 -21.882 -3.275 -3.851 1.00 74.11 C ATOM 688 CD LYS A 43 -22.514 -4.431 -4.633 1.00 60.34 C ATOM 689 CE LYS A 43 -21.452 -5.488 -4.960 1.00 32.31 C ATOM 690 NZ LYS A 43 -21.236 -6.411 -3.832 1.00 24.03 N ATOM 0 H LYS A 43 -19.273 -3.274 -2.954 1.00 3.14 H new ATOM 0 HA LYS A 43 -19.364 -1.096 -4.920 1.00 70.14 H new ATOM 0 HB2 LYS A 43 -21.644 -1.766 -5.359 1.00 54.32 H new ATOM 0 HB3 LYS A 43 -20.556 -3.128 -5.533 1.00 54.32 H new ATOM 0 HG2 LYS A 43 -21.283 -3.661 -3.026 1.00 74.11 H new ATOM 0 HG3 LYS A 43 -22.658 -2.646 -3.415 1.00 74.11 H new ATOM 0 HD2 LYS A 43 -23.317 -4.880 -4.048 1.00 60.34 H new ATOM 0 HD3 LYS A 43 -22.961 -4.056 -5.554 1.00 60.34 H new ATOM 0 HE2 LYS A 43 -21.760 -6.054 -5.839 1.00 32.31 H new ATOM 0 HE3 LYS A 43 -20.513 -4.995 -5.212 1.00 32.31 H new ATOM 0 HZ1 LYS A 43 -20.512 -7.111 -4.090 1.00 24.03 H new ATOM 0 HZ2 LYS A 43 -20.918 -5.874 -3.000 1.00 24.03 H new ATOM 0 HZ3 LYS A 43 -22.126 -6.900 -3.608 1.00 24.03 H new ATOM 704 N GLY A 44 -20.212 -0.655 -1.900 1.00 11.30 N ATOM 705 CA GLY A 44 -20.756 0.296 -0.926 1.00 72.41 C ATOM 706 C GLY A 44 -19.780 1.393 -0.503 1.00 31.14 C ATOM 707 O GLY A 44 -20.143 2.243 0.307 1.00 45.13 O ATOM 0 H GLY A 44 -19.652 -1.397 -1.480 1.00 11.30 H new ATOM 0 HA2 GLY A 44 -21.646 0.762 -1.349 1.00 72.41 H new ATOM 0 HA3 GLY A 44 -21.074 -0.252 -0.039 1.00 72.41 H new ATOM 711 N ILE A 45 -18.555 1.370 -1.020 1.00 72.24 N ATOM 712 CA ILE A 45 -17.478 2.311 -0.729 1.00 53.54 C ATOM 713 C ILE A 45 -17.713 3.645 -1.468 1.00 33.20 C ATOM 714 O ILE A 45 -18.504 3.709 -2.418 1.00 13.32 O ATOM 715 CB ILE A 45 -16.135 1.592 -1.045 1.00 63.13 C ATOM 716 CG1 ILE A 45 -14.872 2.474 -0.980 1.00 53.11 C ATOM 717 CG2 ILE A 45 -16.159 0.770 -2.348 1.00 71.53 C ATOM 718 CD1 ILE A 45 -14.455 3.142 -2.299 1.00 61.02 C ATOM 0 H ILE A 45 -18.272 0.655 -1.690 1.00 72.24 H new ATOM 0 HA ILE A 45 -17.446 2.600 0.322 1.00 53.54 H new ATOM 0 HB ILE A 45 -16.052 0.896 -0.210 1.00 63.13 H new ATOM 0 HG12 ILE A 45 -15.034 3.253 -0.235 1.00 53.11 H new ATOM 0 HG13 ILE A 45 -14.042 1.862 -0.626 1.00 53.11 H new ATOM 0 HG21 ILE A 45 -15.188 0.299 -2.499 1.00 71.53 H new ATOM 0 HG22 ILE A 45 -16.928 0.001 -2.279 1.00 71.53 H new ATOM 0 HG23 ILE A 45 -16.378 1.428 -3.189 1.00 71.53 H new ATOM 0 HD11 ILE A 45 -13.556 3.737 -2.137 1.00 61.02 H new ATOM 0 HD12 ILE A 45 -14.253 2.375 -3.047 1.00 61.02 H new ATOM 0 HD13 ILE A 45 -15.260 3.788 -2.650 1.00 61.02 H new ATOM 730 N LYS A 46 -17.009 4.700 -1.050 1.00 31.54 N ATOM 731 CA LYS A 46 -16.894 6.026 -1.645 1.00 13.34 C ATOM 732 C LYS A 46 -15.420 6.427 -1.577 1.00 41.32 C ATOM 733 O LYS A 46 -14.761 6.215 -0.563 1.00 4.22 O ATOM 734 CB LYS A 46 -17.786 6.992 -0.855 1.00 54.42 C ATOM 735 CG LYS A 46 -17.732 8.441 -1.377 1.00 1.42 C ATOM 736 CD LYS A 46 -16.973 9.389 -0.437 1.00 2.31 C ATOM 737 CE LYS A 46 -17.810 9.602 0.834 1.00 11.41 C ATOM 738 NZ LYS A 46 -17.345 10.717 1.684 1.00 13.04 N ATOM 0 H LYS A 46 -16.450 4.636 -0.199 1.00 31.54 H new ATOM 0 HA LYS A 46 -17.220 6.045 -2.685 1.00 13.34 H new ATOM 0 HB2 LYS A 46 -18.816 6.638 -0.894 1.00 54.42 H new ATOM 0 HB3 LYS A 46 -17.484 6.979 0.192 1.00 54.42 H new ATOM 0 HG2 LYS A 46 -17.255 8.451 -2.357 1.00 1.42 H new ATOM 0 HG3 LYS A 46 -18.748 8.810 -1.514 1.00 1.42 H new ATOM 0 HD2 LYS A 46 -16.000 8.969 -0.182 1.00 2.31 H new ATOM 0 HD3 LYS A 46 -16.788 10.343 -0.931 1.00 2.31 H new ATOM 0 HE2 LYS A 46 -18.846 9.786 0.547 1.00 11.41 H new ATOM 0 HE3 LYS A 46 -17.800 8.683 1.421 1.00 11.41 H new ATOM 0 HZ1 LYS A 46 -17.959 10.796 2.519 1.00 13.04 H new ATOM 0 HZ2 LYS A 46 -16.367 10.537 1.989 1.00 13.04 H new ATOM 0 HZ3 LYS A 46 -17.381 11.604 1.143 1.00 13.04 H new ATOM 752 N ILE A 47 -14.885 6.992 -2.657 1.00 0.34 N ATOM 753 CA ILE A 47 -13.482 7.368 -2.744 1.00 73.11 C ATOM 754 C ILE A 47 -13.307 8.715 -2.047 1.00 64.44 C ATOM 755 O ILE A 47 -14.123 9.620 -2.238 1.00 22.53 O ATOM 756 CB ILE A 47 -13.035 7.417 -4.222 1.00 41.04 C ATOM 757 CG1 ILE A 47 -13.403 6.141 -5.009 1.00 65.32 C ATOM 758 CG2 ILE A 47 -11.522 7.659 -4.316 1.00 53.41 C ATOM 759 CD1 ILE A 47 -12.685 4.878 -4.543 1.00 71.22 C ATOM 0 H ILE A 47 -15.419 7.202 -3.500 1.00 0.34 H new ATOM 0 HA ILE A 47 -12.851 6.630 -2.248 1.00 73.11 H new ATOM 0 HB ILE A 47 -13.577 8.246 -4.678 1.00 41.04 H new ATOM 0 HG12 ILE A 47 -14.478 5.981 -4.933 1.00 65.32 H new ATOM 0 HG13 ILE A 47 -13.178 6.303 -6.063 1.00 65.32 H new ATOM 0 HG21 ILE A 47 -11.223 7.691 -5.364 1.00 53.41 H new ATOM 0 HG22 ILE A 47 -11.275 8.608 -3.839 1.00 53.41 H new ATOM 0 HG23 ILE A 47 -10.992 6.851 -3.812 1.00 53.41 H new ATOM 0 HD11 ILE A 47 -13.005 4.032 -5.152 1.00 71.22 H new ATOM 0 HD12 ILE A 47 -11.608 5.013 -4.646 1.00 71.22 H new ATOM 0 HD13 ILE A 47 -12.928 4.686 -3.498 1.00 71.22 H new ATOM 771 N GLN A 48 -12.235 8.835 -1.270 1.00 44.54 N ATOM 772 CA GLN A 48 -11.808 10.032 -0.559 1.00 3.21 C ATOM 773 C GLN A 48 -10.342 9.889 -0.162 1.00 70.10 C ATOM 774 O GLN A 48 -9.746 8.844 -0.367 1.00 53.10 O ATOM 775 CB GLN A 48 -12.675 10.228 0.693 1.00 3.44 C ATOM 776 CG GLN A 48 -12.597 9.022 1.647 1.00 44.31 C ATOM 777 CD GLN A 48 -13.038 9.423 3.039 1.00 64.42 C ATOM 778 OE1 GLN A 48 -14.161 9.144 3.439 1.00 53.34 O ATOM 779 NE2 GLN A 48 -12.209 10.147 3.770 1.00 23.34 N ATOM 0 H GLN A 48 -11.604 8.050 -1.111 1.00 44.54 H new ATOM 0 HA GLN A 48 -11.922 10.901 -1.207 1.00 3.21 H new ATOM 0 HB2 GLN A 48 -12.353 11.127 1.219 1.00 3.44 H new ATOM 0 HB3 GLN A 48 -13.711 10.387 0.394 1.00 3.44 H new ATOM 0 HG2 GLN A 48 -13.229 8.215 1.276 1.00 44.31 H new ATOM 0 HG3 GLN A 48 -11.577 8.639 1.678 1.00 44.31 H new ATOM 0 HE21 GLN A 48 -11.278 10.368 3.417 1.00 23.34 H new ATOM 0 HE22 GLN A 48 -12.500 10.485 4.687 1.00 23.34 H new ATOM 788 N GLU A 49 -9.775 10.917 0.455 1.00 22.31 N ATOM 789 CA GLU A 49 -8.384 10.997 0.913 1.00 35.30 C ATOM 790 C GLU A 49 -8.271 10.603 2.394 1.00 32.40 C ATOM 791 O GLU A 49 -7.578 11.242 3.193 1.00 63.31 O ATOM 792 CB GLU A 49 -7.806 12.408 0.736 1.00 34.15 C ATOM 793 CG GLU A 49 -8.338 13.188 -0.457 1.00 64.13 C ATOM 794 CD GLU A 49 -7.822 14.634 -0.459 1.00 31.15 C ATOM 795 OE1 GLU A 49 -7.496 15.165 0.630 1.00 61.44 O ATOM 796 OE2 GLU A 49 -7.960 15.359 -1.469 1.00 60.15 O ATOM 0 H GLU A 49 -10.298 11.768 0.664 1.00 22.31 H new ATOM 0 HA GLU A 49 -7.813 10.300 0.299 1.00 35.30 H new ATOM 0 HB2 GLU A 49 -8.007 12.981 1.641 1.00 34.15 H new ATOM 0 HB3 GLU A 49 -6.723 12.329 0.643 1.00 34.15 H new ATOM 0 HG2 GLU A 49 -8.038 12.692 -1.380 1.00 64.13 H new ATOM 0 HG3 GLU A 49 -9.428 13.189 -0.435 1.00 64.13 H new ATOM 803 N GLY A 50 -9.019 9.590 2.806 1.00 64.22 N ATOM 804 CA GLY A 50 -8.958 9.123 4.187 1.00 41.33 C ATOM 805 C GLY A 50 -9.444 7.699 4.364 1.00 62.55 C ATOM 806 O GLY A 50 -9.963 7.100 3.419 1.00 55.43 O ATOM 0 H GLY A 50 -9.671 9.078 2.211 1.00 64.22 H new ATOM 0 HA2 GLY A 50 -7.930 9.195 4.542 1.00 41.33 H new ATOM 0 HA3 GLY A 50 -9.558 9.784 4.813 1.00 41.33 H new ATOM 810 N ILE A 51 -9.252 7.181 5.582 1.00 42.24 N ATOM 811 CA ILE A 51 -9.630 5.831 5.987 1.00 24.11 C ATOM 812 C ILE A 51 -11.096 5.612 5.636 1.00 70.34 C ATOM 813 O ILE A 51 -11.954 6.392 6.061 1.00 62.14 O ATOM 814 CB ILE A 51 -9.395 5.607 7.504 1.00 73.41 C ATOM 815 CG1 ILE A 51 -7.944 5.826 7.981 1.00 43.03 C ATOM 816 CG2 ILE A 51 -9.879 4.224 7.985 1.00 2.12 C ATOM 817 CD1 ILE A 51 -6.939 4.708 7.671 1.00 21.04 C ATOM 0 H ILE A 51 -8.814 7.711 6.335 1.00 42.24 H new ATOM 0 HA ILE A 51 -9.007 5.111 5.456 1.00 24.11 H new ATOM 0 HB ILE A 51 -10.003 6.388 7.961 1.00 73.41 H new ATOM 0 HG12 ILE A 51 -7.575 6.749 7.534 1.00 43.03 H new ATOM 0 HG13 ILE A 51 -7.960 5.979 9.060 1.00 43.03 H new ATOM 0 HG21 ILE A 51 -9.689 4.123 9.054 1.00 2.12 H new ATOM 0 HG22 ILE A 51 -10.948 4.127 7.796 1.00 2.12 H new ATOM 0 HG23 ILE A 51 -9.342 3.443 7.446 1.00 2.12 H new ATOM 0 HD11 ILE A 51 -5.958 4.983 8.058 1.00 21.04 H new ATOM 0 HD12 ILE A 51 -7.268 3.782 8.142 1.00 21.04 H new ATOM 0 HD13 ILE A 51 -6.876 4.564 6.592 1.00 21.04 H new ATOM 829 N VAL A 52 -11.388 4.533 4.918 1.00 25.30 N ATOM 830 CA VAL A 52 -12.753 4.074 4.717 1.00 65.13 C ATOM 831 C VAL A 52 -12.837 2.639 5.231 1.00 2.34 C ATOM 832 O VAL A 52 -12.081 1.751 4.811 1.00 41.43 O ATOM 833 CB VAL A 52 -13.263 4.310 3.276 1.00 0.13 C ATOM 834 CG1 VAL A 52 -12.941 5.703 2.722 1.00 33.24 C ATOM 835 CG2 VAL A 52 -12.919 3.217 2.280 1.00 65.25 C ATOM 0 H VAL A 52 -10.684 3.954 4.460 1.00 25.30 H new ATOM 0 HA VAL A 52 -13.456 4.673 5.296 1.00 65.13 H new ATOM 0 HB VAL A 52 -14.345 4.259 3.397 1.00 0.13 H new ATOM 0 HG11 VAL A 52 -13.331 5.790 1.708 1.00 33.24 H new ATOM 0 HG12 VAL A 52 -13.402 6.462 3.355 1.00 33.24 H new ATOM 0 HG13 VAL A 52 -11.861 5.849 2.709 1.00 33.24 H new ATOM 0 HG21 VAL A 52 -13.321 3.477 1.301 1.00 65.25 H new ATOM 0 HG22 VAL A 52 -11.836 3.114 2.212 1.00 65.25 H new ATOM 0 HG23 VAL A 52 -13.353 2.273 2.611 1.00 65.25 H new ATOM 845 N ASP A 53 -13.711 2.426 6.209 1.00 43.12 N ATOM 846 CA ASP A 53 -14.092 1.121 6.713 1.00 52.23 C ATOM 847 C ASP A 53 -15.193 0.575 5.809 1.00 21.42 C ATOM 848 O ASP A 53 -16.368 0.899 6.001 1.00 23.33 O ATOM 849 CB ASP A 53 -14.601 1.243 8.155 1.00 73.24 C ATOM 850 CG ASP A 53 -15.204 -0.077 8.653 1.00 63.25 C ATOM 851 OD1 ASP A 53 -14.499 -1.110 8.608 1.00 2.25 O ATOM 852 OD2 ASP A 53 -16.360 -0.079 9.144 1.00 31.50 O ATOM 0 H ASP A 53 -14.189 3.190 6.687 1.00 43.12 H new ATOM 0 HA ASP A 53 -13.235 0.447 6.713 1.00 52.23 H new ATOM 0 HB2 ASP A 53 -13.780 1.538 8.808 1.00 73.24 H new ATOM 0 HB3 ASP A 53 -15.352 2.031 8.211 1.00 73.24 H new ATOM 857 N TYR A 54 -14.830 -0.218 4.802 1.00 1.04 N ATOM 858 CA TYR A 54 -15.791 -0.945 3.992 1.00 31.01 C ATOM 859 C TYR A 54 -15.168 -2.272 3.558 1.00 53.04 C ATOM 860 O TYR A 54 -14.564 -2.414 2.492 1.00 35.41 O ATOM 861 CB TYR A 54 -16.319 -0.097 2.828 1.00 32.34 C ATOM 862 CG TYR A 54 -17.455 -0.794 2.107 1.00 72.31 C ATOM 863 CD1 TYR A 54 -18.759 -0.753 2.632 1.00 23.33 C ATOM 864 CD2 TYR A 54 -17.186 -1.572 0.970 1.00 2.32 C ATOM 865 CE1 TYR A 54 -19.790 -1.490 2.020 1.00 1.03 C ATOM 866 CE2 TYR A 54 -18.199 -2.331 0.366 1.00 34.23 C ATOM 867 CZ TYR A 54 -19.507 -2.288 0.887 1.00 20.22 C ATOM 868 OH TYR A 54 -20.470 -3.036 0.286 1.00 24.05 O ATOM 0 H TYR A 54 -13.859 -0.371 4.529 1.00 1.04 H new ATOM 0 HA TYR A 54 -16.677 -1.172 4.585 1.00 31.01 H new ATOM 0 HB2 TYR A 54 -16.662 0.867 3.204 1.00 32.34 H new ATOM 0 HB3 TYR A 54 -15.510 0.104 2.126 1.00 32.34 H new ATOM 0 HD1 TYR A 54 -18.970 -0.155 3.506 1.00 23.33 H new ATOM 0 HD2 TYR A 54 -16.189 -1.586 0.556 1.00 2.32 H new ATOM 0 HE1 TYR A 54 -20.794 -1.446 2.414 1.00 1.03 H new ATOM 0 HE2 TYR A 54 -17.977 -2.945 -0.494 1.00 34.23 H new ATOM 0 HH TYR A 54 -20.084 -3.515 -0.477 1.00 24.05 H new ATOM 878 N GLY A 55 -15.318 -3.272 4.416 1.00 11.51 N ATOM 879 CA GLY A 55 -14.766 -4.596 4.226 1.00 51.35 C ATOM 880 C GLY A 55 -13.330 -4.618 4.723 1.00 51.01 C ATOM 881 O GLY A 55 -13.085 -4.848 5.910 1.00 14.42 O ATOM 0 H GLY A 55 -15.842 -3.176 5.286 1.00 11.51 H new ATOM 0 HA2 GLY A 55 -15.361 -5.332 4.767 1.00 51.35 H new ATOM 0 HA3 GLY A 55 -14.802 -4.870 3.172 1.00 51.35 H new ATOM 885 N VAL A 56 -12.401 -4.327 3.818 1.00 13.03 N ATOM 886 CA VAL A 56 -10.976 -4.208 4.111 1.00 41.02 C ATOM 887 C VAL A 56 -10.723 -2.762 4.506 1.00 61.10 C ATOM 888 O VAL A 56 -11.226 -1.844 3.858 1.00 43.31 O ATOM 889 CB VAL A 56 -10.138 -4.621 2.881 1.00 51.41 C ATOM 890 CG1 VAL A 56 -8.635 -4.346 3.018 1.00 70.32 C ATOM 891 CG2 VAL A 56 -10.262 -6.127 2.671 1.00 53.45 C ATOM 0 H VAL A 56 -12.623 -4.163 2.836 1.00 13.03 H new ATOM 0 HA VAL A 56 -10.681 -4.872 4.924 1.00 41.02 H new ATOM 0 HB VAL A 56 -10.530 -4.025 2.057 1.00 51.41 H new ATOM 0 HG11 VAL A 56 -8.122 -4.666 2.111 1.00 70.32 H new ATOM 0 HG12 VAL A 56 -8.473 -3.279 3.170 1.00 70.32 H new ATOM 0 HG13 VAL A 56 -8.240 -4.898 3.871 1.00 70.32 H new ATOM 0 HG21 VAL A 56 -9.672 -6.423 1.804 1.00 53.45 H new ATOM 0 HG22 VAL A 56 -9.895 -6.649 3.555 1.00 53.45 H new ATOM 0 HG23 VAL A 56 -11.308 -6.386 2.504 1.00 53.45 H new ATOM 901 N ARG A 57 -9.927 -2.554 5.553 1.00 54.12 N ATOM 902 CA ARG A 57 -9.513 -1.223 5.964 1.00 63.22 C ATOM 903 C ARG A 57 -8.645 -0.640 4.851 1.00 33.05 C ATOM 904 O ARG A 57 -7.613 -1.220 4.507 1.00 65.31 O ATOM 905 CB ARG A 57 -8.771 -1.323 7.307 1.00 2.12 C ATOM 906 CG ARG A 57 -9.753 -1.614 8.456 1.00 24.31 C ATOM 907 CD ARG A 57 -9.026 -1.996 9.750 1.00 34.11 C ATOM 908 NE ARG A 57 -9.937 -1.924 10.903 1.00 52.41 N ATOM 909 CZ ARG A 57 -9.648 -2.212 12.176 1.00 61.34 C ATOM 910 NH1 ARG A 57 -8.444 -2.635 12.546 1.00 73.14 N ATOM 911 NH2 ARG A 57 -10.574 -2.042 13.111 1.00 2.43 N ATOM 0 H ARG A 57 -9.554 -3.304 6.136 1.00 54.12 H new ATOM 0 HA ARG A 57 -10.363 -0.558 6.117 1.00 63.22 H new ATOM 0 HB2 ARG A 57 -8.021 -2.113 7.255 1.00 2.12 H new ATOM 0 HB3 ARG A 57 -8.240 -0.392 7.504 1.00 2.12 H new ATOM 0 HG2 ARG A 57 -10.373 -0.735 8.634 1.00 24.31 H new ATOM 0 HG3 ARG A 57 -10.423 -2.423 8.164 1.00 24.31 H new ATOM 0 HD2 ARG A 57 -8.623 -3.005 9.662 1.00 34.11 H new ATOM 0 HD3 ARG A 57 -8.180 -1.328 9.908 1.00 34.11 H new ATOM 0 HE ARG A 57 -10.892 -1.622 10.710 1.00 52.41 H new ATOM 0 HH11 ARG A 57 -7.707 -2.749 11.850 1.00 73.14 H new ATOM 0 HH12 ARG A 57 -8.257 -2.846 13.526 1.00 73.14 H new ATOM 0 HH21 ARG A 57 -11.498 -1.694 12.856 1.00 2.43 H new ATOM 0 HH22 ARG A 57 -10.362 -2.259 14.085 1.00 2.43 H new ATOM 925 N PHE A 58 -9.043 0.493 4.284 1.00 43.24 N ATOM 926 CA PHE A 58 -8.227 1.246 3.338 1.00 24.54 C ATOM 927 C PHE A 58 -7.837 2.571 3.989 1.00 32.14 C ATOM 928 O PHE A 58 -8.405 2.940 5.017 1.00 24.10 O ATOM 929 CB PHE A 58 -9.001 1.422 2.019 1.00 14.33 C ATOM 930 CG PHE A 58 -9.283 0.150 1.225 1.00 32.10 C ATOM 931 CD1 PHE A 58 -8.388 -0.940 1.222 1.00 63.32 C ATOM 932 CD2 PHE A 58 -10.460 0.056 0.460 1.00 21.44 C ATOM 933 CE1 PHE A 58 -8.666 -2.103 0.479 1.00 2.41 C ATOM 934 CE2 PHE A 58 -10.752 -1.119 -0.255 1.00 41.40 C ATOM 935 CZ PHE A 58 -9.860 -2.200 -0.247 1.00 32.41 C ATOM 0 H PHE A 58 -9.951 0.919 4.470 1.00 43.24 H new ATOM 0 HA PHE A 58 -7.308 0.715 3.090 1.00 24.54 H new ATOM 0 HB2 PHE A 58 -9.953 1.904 2.243 1.00 14.33 H new ATOM 0 HB3 PHE A 58 -8.440 2.106 1.382 1.00 14.33 H new ATOM 0 HD1 PHE A 58 -7.476 -0.882 1.798 1.00 63.32 H new ATOM 0 HD2 PHE A 58 -11.143 0.891 0.422 1.00 21.44 H new ATOM 0 HE1 PHE A 58 -7.959 -2.920 0.469 1.00 2.41 H new ATOM 0 HE2 PHE A 58 -11.672 -1.189 -0.816 1.00 41.40 H new ATOM 0 HZ PHE A 58 -10.091 -3.101 -0.796 1.00 32.41 H new ATOM 945 N PHE A 59 -6.868 3.282 3.399 1.00 60.14 N ATOM 946 CA PHE A 59 -6.514 4.659 3.771 1.00 24.21 C ATOM 947 C PHE A 59 -6.754 5.659 2.641 1.00 12.54 C ATOM 948 O PHE A 59 -6.978 6.846 2.897 1.00 32.14 O ATOM 949 CB PHE A 59 -5.067 4.718 4.300 1.00 51.13 C ATOM 950 CG PHE A 59 -4.508 6.119 4.488 1.00 23.30 C ATOM 951 CD1 PHE A 59 -5.142 7.022 5.361 1.00 63.25 C ATOM 952 CD2 PHE A 59 -3.399 6.549 3.735 1.00 63.50 C ATOM 953 CE1 PHE A 59 -4.691 8.349 5.453 1.00 4.32 C ATOM 954 CE2 PHE A 59 -2.988 7.891 3.786 1.00 44.34 C ATOM 955 CZ PHE A 59 -3.634 8.794 4.642 1.00 55.43 C ATOM 0 H PHE A 59 -6.299 2.912 2.638 1.00 60.14 H new ATOM 0 HA PHE A 59 -7.184 4.962 4.576 1.00 24.21 H new ATOM 0 HB2 PHE A 59 -5.024 4.195 5.255 1.00 51.13 H new ATOM 0 HB3 PHE A 59 -4.421 4.175 3.610 1.00 51.13 H new ATOM 0 HD1 PHE A 59 -5.977 6.694 5.962 1.00 63.25 H new ATOM 0 HD2 PHE A 59 -2.863 5.845 3.116 1.00 63.50 H new ATOM 0 HE1 PHE A 59 -5.158 9.029 6.149 1.00 4.32 H new ATOM 0 HE2 PHE A 59 -2.172 8.228 3.164 1.00 44.34 H new ATOM 0 HZ PHE A 59 -3.320 9.827 4.678 1.00 55.43 H new ATOM 965 N PHE A 60 -6.738 5.168 1.404 1.00 43.43 N ATOM 966 CA PHE A 60 -6.666 5.940 0.169 1.00 25.24 C ATOM 967 C PHE A 60 -5.564 7.012 0.228 1.00 13.24 C ATOM 968 O PHE A 60 -4.758 7.022 1.157 1.00 25.52 O ATOM 969 CB PHE A 60 -8.059 6.478 -0.190 1.00 1.32 C ATOM 970 CG PHE A 60 -9.122 5.446 -0.543 1.00 23.12 C ATOM 971 CD1 PHE A 60 -8.792 4.316 -1.319 1.00 4.24 C ATOM 972 CD2 PHE A 60 -10.457 5.628 -0.123 1.00 24.10 C ATOM 973 CE1 PHE A 60 -9.764 3.345 -1.615 1.00 51.43 C ATOM 974 CE2 PHE A 60 -11.437 4.679 -0.451 1.00 33.44 C ATOM 975 CZ PHE A 60 -11.086 3.524 -1.171 1.00 64.15 C ATOM 0 H PHE A 60 -6.777 4.164 1.228 1.00 43.43 H new ATOM 0 HA PHE A 60 -6.364 5.289 -0.651 1.00 25.24 H new ATOM 0 HB2 PHE A 60 -8.423 7.067 0.652 1.00 1.32 H new ATOM 0 HB3 PHE A 60 -7.953 7.160 -1.034 1.00 1.32 H new ATOM 0 HD1 PHE A 60 -7.784 4.196 -1.689 1.00 4.24 H new ATOM 0 HD2 PHE A 60 -10.725 6.501 0.453 1.00 24.10 H new ATOM 0 HE1 PHE A 60 -9.497 2.465 -2.181 1.00 51.43 H new ATOM 0 HE2 PHE A 60 -12.462 4.836 -0.150 1.00 33.44 H new ATOM 0 HZ PHE A 60 -11.833 2.773 -1.383 1.00 64.15 H new ATOM 985 N TYR A 61 -5.425 7.854 -0.793 1.00 53.12 N ATOM 986 CA TYR A 61 -4.454 8.965 -0.860 1.00 72.13 C ATOM 987 C TYR A 61 -4.511 9.615 -2.234 1.00 1.41 C ATOM 988 O TYR A 61 -4.751 8.928 -3.215 1.00 22.24 O ATOM 989 CB TYR A 61 -3.022 8.452 -0.599 1.00 4.22 C ATOM 990 CG TYR A 61 -1.883 9.246 -1.191 1.00 75.35 C ATOM 991 CD1 TYR A 61 -1.617 10.552 -0.757 1.00 52.11 C ATOM 992 CD2 TYR A 61 -1.102 8.668 -2.210 1.00 53.50 C ATOM 993 CE1 TYR A 61 -0.595 11.287 -1.376 1.00 31.50 C ATOM 994 CE2 TYR A 61 -0.059 9.393 -2.802 1.00 14.10 C ATOM 995 CZ TYR A 61 0.195 10.722 -2.396 1.00 44.15 C ATOM 996 OH TYR A 61 1.206 11.438 -2.956 1.00 41.44 O ATOM 0 H TYR A 61 -6.002 7.787 -1.631 1.00 53.12 H new ATOM 0 HA TYR A 61 -4.713 9.696 -0.094 1.00 72.13 H new ATOM 0 HB2 TYR A 61 -2.873 8.402 0.480 1.00 4.22 H new ATOM 0 HB3 TYR A 61 -2.955 7.432 -0.978 1.00 4.22 H new ATOM 0 HD1 TYR A 61 -2.193 10.988 0.046 1.00 52.11 H new ATOM 0 HD2 TYR A 61 -1.308 7.660 -2.537 1.00 53.50 H new ATOM 0 HE1 TYR A 61 -0.411 12.305 -1.065 1.00 31.50 H new ATOM 0 HE2 TYR A 61 0.550 8.936 -3.568 1.00 14.10 H new ATOM 0 HH TYR A 61 1.289 12.300 -2.497 1.00 41.44 H new ATOM 1006 N THR A 62 -4.209 10.902 -2.308 1.00 62.22 N ATOM 1007 CA THR A 62 -4.296 11.776 -3.475 1.00 5.03 C ATOM 1008 C THR A 62 -2.930 12.389 -3.740 1.00 71.30 C ATOM 1009 O THR A 62 -2.364 12.955 -2.806 1.00 35.35 O ATOM 1010 CB THR A 62 -5.295 12.909 -3.177 1.00 72.05 C ATOM 1011 OG1 THR A 62 -5.286 13.269 -1.802 1.00 52.42 O ATOM 1012 CG2 THR A 62 -6.696 12.488 -3.586 1.00 15.03 C ATOM 0 H THR A 62 -3.869 11.406 -1.489 1.00 62.22 H new ATOM 0 HA THR A 62 -4.624 11.203 -4.342 1.00 5.03 H new ATOM 0 HB THR A 62 -4.989 13.780 -3.756 1.00 72.05 H new ATOM 0 HG1 THR A 62 -4.885 14.157 -1.699 1.00 52.42 H new ATOM 0 HG21 THR A 62 -7.396 13.296 -3.371 1.00 15.03 H new ATOM 0 HG22 THR A 62 -6.713 12.267 -4.653 1.00 15.03 H new ATOM 0 HG23 THR A 62 -6.986 11.598 -3.027 1.00 15.03 H new ATOM 1020 N SER A 63 -2.448 12.353 -4.987 1.00 31.54 N ATOM 1021 CA SER A 63 -1.136 12.844 -5.411 1.00 75.52 C ATOM 1022 C SER A 63 -0.873 14.308 -5.007 1.00 1.41 C ATOM 1023 O SER A 63 0.272 14.762 -5.048 1.00 63.43 O ATOM 1024 CB SER A 63 -1.000 12.656 -6.934 1.00 53.22 C ATOM 1025 OG SER A 63 -1.931 13.483 -7.605 1.00 62.32 O ATOM 0 H SER A 63 -2.987 11.963 -5.761 1.00 31.54 H new ATOM 0 HA SER A 63 -0.378 12.258 -4.891 1.00 75.52 H new ATOM 0 HB2 SER A 63 0.013 12.903 -7.251 1.00 53.22 H new ATOM 0 HB3 SER A 63 -1.171 11.612 -7.197 1.00 53.22 H new ATOM 0 HG SER A 63 -1.839 13.361 -8.573 1.00 62.32 H new ATOM 1031 N LYS A 64 -1.912 15.073 -4.648 1.00 3.25 N ATOM 1032 CA LYS A 64 -1.833 16.362 -3.979 1.00 3.42 C ATOM 1033 C LYS A 64 -0.895 16.301 -2.771 1.00 53.24 C ATOM 1034 O LYS A 64 -0.056 17.188 -2.633 1.00 41.02 O ATOM 1035 CB LYS A 64 -3.269 16.788 -3.608 1.00 53.31 C ATOM 1036 CG LYS A 64 -3.365 18.023 -2.691 1.00 21.30 C ATOM 1037 CD LYS A 64 -3.636 17.680 -1.216 1.00 2.13 C ATOM 1038 CE LYS A 64 -5.080 17.206 -1.000 1.00 61.11 C ATOM 1039 NZ LYS A 64 -5.363 16.876 0.411 1.00 45.31 N ATOM 0 H LYS A 64 -2.875 14.789 -4.829 1.00 3.25 H new ATOM 0 HA LYS A 64 -1.402 17.115 -4.639 1.00 3.42 H new ATOM 0 HB2 LYS A 64 -3.820 16.992 -4.526 1.00 53.31 H new ATOM 0 HB3 LYS A 64 -3.765 15.950 -3.118 1.00 53.31 H new ATOM 0 HG2 LYS A 64 -2.435 18.587 -2.758 1.00 21.30 H new ATOM 0 HG3 LYS A 64 -4.160 18.674 -3.055 1.00 21.30 H new ATOM 0 HD2 LYS A 64 -2.945 16.902 -0.890 1.00 2.13 H new ATOM 0 HD3 LYS A 64 -3.444 18.557 -0.597 1.00 2.13 H new ATOM 0 HE2 LYS A 64 -5.768 17.984 -1.333 1.00 61.11 H new ATOM 0 HE3 LYS A 64 -5.267 16.329 -1.619 1.00 61.11 H new ATOM 0 HZ1 LYS A 64 -6.340 16.529 0.497 1.00 45.31 H new ATOM 0 HZ2 LYS A 64 -4.704 16.139 0.734 1.00 45.31 H new ATOM 0 HZ3 LYS A 64 -5.245 17.727 0.997 1.00 45.31 H new ATOM 1053 N GLU A 65 -1.054 15.322 -1.884 1.00 30.32 N ATOM 1054 CA GLU A 65 -0.333 15.301 -0.611 1.00 22.42 C ATOM 1055 C GLU A 65 1.087 14.730 -0.817 1.00 34.43 C ATOM 1056 O GLU A 65 1.285 13.903 -1.715 1.00 61.44 O ATOM 1057 CB GLU A 65 -1.161 14.498 0.423 1.00 13.41 C ATOM 1058 CG GLU A 65 -1.435 15.272 1.723 1.00 52.20 C ATOM 1059 CD GLU A 65 -2.735 14.834 2.403 1.00 23.44 C ATOM 1060 OE1 GLU A 65 -3.825 15.121 1.859 1.00 71.13 O ATOM 1061 OE2 GLU A 65 -2.677 14.262 3.522 1.00 24.11 O ATOM 0 H GLU A 65 -1.679 14.528 -2.023 1.00 30.32 H new ATOM 0 HA GLU A 65 -0.208 16.312 -0.222 1.00 22.42 H new ATOM 0 HB2 GLU A 65 -2.111 14.212 -0.028 1.00 13.41 H new ATOM 0 HB3 GLU A 65 -0.632 13.576 0.663 1.00 13.41 H new ATOM 0 HG2 GLU A 65 -0.602 15.127 2.411 1.00 52.20 H new ATOM 0 HG3 GLU A 65 -1.485 16.338 1.503 1.00 52.20 H new ATOM 1068 N PRO A 66 2.081 15.120 0.001 1.00 4.12 N ATOM 1069 CA PRO A 66 3.412 14.522 -0.036 1.00 53.12 C ATOM 1070 C PRO A 66 3.379 13.081 0.458 1.00 44.24 C ATOM 1071 O PRO A 66 2.687 12.767 1.425 1.00 32.20 O ATOM 1072 CB PRO A 66 4.284 15.374 0.891 1.00 55.42 C ATOM 1073 CG PRO A 66 3.290 16.039 1.832 1.00 10.24 C ATOM 1074 CD PRO A 66 2.041 16.203 0.974 1.00 22.32 C ATOM 0 HA PRO A 66 3.800 14.500 -1.054 1.00 53.12 H new ATOM 0 HB2 PRO A 66 5.001 14.761 1.437 1.00 55.42 H new ATOM 0 HB3 PRO A 66 4.857 16.113 0.331 1.00 55.42 H new ATOM 0 HG2 PRO A 66 3.095 15.423 2.710 1.00 10.24 H new ATOM 0 HG3 PRO A 66 3.659 17.000 2.191 1.00 10.24 H new ATOM 0 HD2 PRO A 66 1.139 16.148 1.583 1.00 22.32 H new ATOM 0 HD3 PRO A 66 2.032 17.174 0.478 1.00 22.32 H new ATOM 1082 N VAL A 67 4.241 12.247 -0.129 1.00 43.35 N ATOM 1083 CA VAL A 67 4.509 10.853 0.239 1.00 20.40 C ATOM 1084 C VAL A 67 4.770 10.744 1.748 1.00 43.54 C ATOM 1085 O VAL A 67 4.321 9.793 2.390 1.00 72.11 O ATOM 1086 CB VAL A 67 5.715 10.335 -0.583 1.00 74.11 C ATOM 1087 CG1 VAL A 67 5.955 8.833 -0.403 1.00 73.10 C ATOM 1088 CG2 VAL A 67 5.569 10.576 -2.095 1.00 13.03 C ATOM 0 H VAL A 67 4.806 12.545 -0.924 1.00 43.35 H new ATOM 0 HA VAL A 67 3.641 10.235 0.011 1.00 20.40 H new ATOM 0 HB VAL A 67 6.555 10.908 -0.191 1.00 74.11 H new ATOM 0 HG11 VAL A 67 6.812 8.527 -1.003 1.00 73.10 H new ATOM 0 HG12 VAL A 67 6.152 8.619 0.648 1.00 73.10 H new ATOM 0 HG13 VAL A 67 5.071 8.282 -0.726 1.00 73.10 H new ATOM 0 HG21 VAL A 67 6.448 10.190 -2.612 1.00 13.03 H new ATOM 0 HG22 VAL A 67 4.679 10.064 -2.461 1.00 13.03 H new ATOM 0 HG23 VAL A 67 5.477 11.645 -2.286 1.00 13.03 H new ATOM 1098 N ALA A 68 5.460 11.731 2.329 1.00 3.11 N ATOM 1099 CA ALA A 68 5.721 11.755 3.754 1.00 51.51 C ATOM 1100 C ALA A 68 4.437 11.775 4.587 1.00 1.23 C ATOM 1101 O ALA A 68 4.387 11.075 5.597 1.00 14.54 O ATOM 1102 CB ALA A 68 6.607 12.949 4.101 1.00 61.33 C ATOM 0 H ALA A 68 5.847 12.526 1.820 1.00 3.11 H new ATOM 0 HA ALA A 68 6.242 10.831 4.006 1.00 51.51 H new ATOM 0 HB1 ALA A 68 6.799 12.960 5.174 1.00 61.33 H new ATOM 0 HB2 ALA A 68 7.552 12.869 3.564 1.00 61.33 H new ATOM 0 HB3 ALA A 68 6.103 13.872 3.813 1.00 61.33 H new ATOM 1108 N SER A 69 3.413 12.545 4.209 1.00 71.54 N ATOM 1109 CA SER A 69 2.213 12.671 5.040 1.00 50.35 C ATOM 1110 C SER A 69 1.335 11.415 5.050 1.00 11.25 C ATOM 1111 O SER A 69 0.635 11.185 6.040 1.00 55.31 O ATOM 1112 CB SER A 69 1.452 13.939 4.654 1.00 42.52 C ATOM 1113 OG SER A 69 2.287 15.025 5.027 1.00 21.34 O ATOM 0 H SER A 69 3.390 13.084 3.344 1.00 71.54 H new ATOM 0 HA SER A 69 2.534 12.768 6.077 1.00 50.35 H new ATOM 0 HB2 SER A 69 1.242 13.958 3.585 1.00 42.52 H new ATOM 0 HB3 SER A 69 0.492 13.990 5.168 1.00 42.52 H new ATOM 0 HG SER A 69 1.846 15.870 4.799 1.00 21.34 H new ATOM 1119 N ILE A 70 1.442 10.550 4.036 1.00 5.45 N ATOM 1120 CA ILE A 70 0.890 9.199 4.102 1.00 43.12 C ATOM 1121 C ILE A 70 1.555 8.470 5.265 1.00 73.44 C ATOM 1122 O ILE A 70 0.841 7.979 6.140 1.00 60.33 O ATOM 1123 CB ILE A 70 1.072 8.413 2.781 1.00 43.13 C ATOM 1124 CG1 ILE A 70 0.288 9.046 1.618 1.00 61.04 C ATOM 1125 CG2 ILE A 70 0.622 6.954 2.930 1.00 62.13 C ATOM 1126 CD1 ILE A 70 1.060 10.194 0.981 1.00 64.34 C ATOM 0 H ILE A 70 1.910 10.767 3.156 1.00 5.45 H new ATOM 0 HA ILE A 70 -0.186 9.269 4.259 1.00 43.12 H new ATOM 0 HB ILE A 70 2.138 8.450 2.555 1.00 43.13 H new ATOM 0 HG12 ILE A 70 0.077 8.287 0.865 1.00 61.04 H new ATOM 0 HG13 ILE A 70 -0.673 9.410 1.982 1.00 61.04 H new ATOM 0 HG21 ILE A 70 0.763 6.431 1.984 1.00 62.13 H new ATOM 0 HG22 ILE A 70 1.214 6.468 3.705 1.00 62.13 H new ATOM 0 HG23 ILE A 70 -0.432 6.925 3.207 1.00 62.13 H new ATOM 0 HD11 ILE A 70 0.475 10.616 0.164 1.00 64.34 H new ATOM 0 HD12 ILE A 70 1.248 10.965 1.728 1.00 64.34 H new ATOM 0 HD13 ILE A 70 2.009 9.824 0.594 1.00 64.34 H new ATOM 1138 N ILE A 71 2.894 8.395 5.253 1.00 63.23 N ATOM 1139 CA ILE A 71 3.695 7.686 6.249 1.00 53.11 C ATOM 1140 C ILE A 71 3.363 8.231 7.639 1.00 73.33 C ATOM 1141 O ILE A 71 3.149 7.438 8.548 1.00 73.32 O ATOM 1142 CB ILE A 71 5.209 7.795 5.933 1.00 22.44 C ATOM 1143 CG1 ILE A 71 5.604 7.228 4.551 1.00 5.24 C ATOM 1144 CG2 ILE A 71 6.070 7.139 7.027 1.00 2.52 C ATOM 1145 CD1 ILE A 71 5.637 5.700 4.450 1.00 4.20 C ATOM 0 H ILE A 71 3.460 8.839 4.530 1.00 63.23 H new ATOM 0 HA ILE A 71 3.449 6.625 6.222 1.00 53.11 H new ATOM 0 HB ILE A 71 5.409 8.866 5.908 1.00 22.44 H new ATOM 0 HG12 ILE A 71 4.903 7.609 3.808 1.00 5.24 H new ATOM 0 HG13 ILE A 71 6.589 7.613 4.288 1.00 5.24 H new ATOM 0 HG21 ILE A 71 7.124 7.237 6.768 1.00 2.52 H new ATOM 0 HG22 ILE A 71 5.884 7.632 7.981 1.00 2.52 H new ATOM 0 HG23 ILE A 71 5.813 6.083 7.108 1.00 2.52 H new ATOM 0 HD11 ILE A 71 5.925 5.408 3.440 1.00 4.20 H new ATOM 0 HD12 ILE A 71 6.360 5.304 5.163 1.00 4.20 H new ATOM 0 HD13 ILE A 71 4.649 5.299 4.675 1.00 4.20 H new ATOM 1157 N THR A 72 3.292 9.554 7.806 1.00 73.10 N ATOM 1158 CA THR A 72 2.967 10.198 9.070 1.00 2.15 C ATOM 1159 C THR A 72 1.657 9.645 9.637 1.00 4.13 C ATOM 1160 O THR A 72 1.634 9.209 10.790 1.00 34.34 O ATOM 1161 CB THR A 72 2.913 11.719 8.856 1.00 42.12 C ATOM 1162 OG1 THR A 72 4.181 12.174 8.422 1.00 33.14 O ATOM 1163 CG2 THR A 72 2.546 12.484 10.125 1.00 44.43 C ATOM 0 H THR A 72 3.463 10.215 7.049 1.00 73.10 H new ATOM 0 HA THR A 72 3.740 9.983 9.808 1.00 2.15 H new ATOM 0 HB THR A 72 2.139 11.906 8.112 1.00 42.12 H new ATOM 0 HG1 THR A 72 4.311 11.933 7.481 1.00 33.14 H new ATOM 0 HG21 THR A 72 2.524 13.553 9.912 1.00 44.43 H new ATOM 0 HG22 THR A 72 1.564 12.163 10.472 1.00 44.43 H new ATOM 0 HG23 THR A 72 3.288 12.284 10.898 1.00 44.43 H new ATOM 1171 N LYS A 73 0.570 9.659 8.860 1.00 53.02 N ATOM 1172 CA LYS A 73 -0.715 9.176 9.344 1.00 60.20 C ATOM 1173 C LYS A 73 -0.659 7.664 9.603 1.00 64.43 C ATOM 1174 O LYS A 73 -1.022 7.253 10.701 1.00 61.13 O ATOM 1175 CB LYS A 73 -1.830 9.642 8.397 1.00 24.14 C ATOM 1176 CG LYS A 73 -2.294 11.068 8.726 1.00 4.22 C ATOM 1177 CD LYS A 73 -3.377 11.573 7.761 1.00 23.43 C ATOM 1178 CE LYS A 73 -2.793 12.040 6.418 1.00 0.31 C ATOM 1179 NZ LYS A 73 -3.826 12.680 5.573 1.00 2.40 N ATOM 0 H LYS A 73 0.559 9.999 7.898 1.00 53.02 H new ATOM 0 HA LYS A 73 -0.955 9.611 10.314 1.00 60.20 H new ATOM 0 HB2 LYS A 73 -1.473 9.604 7.368 1.00 24.14 H new ATOM 0 HB3 LYS A 73 -2.676 8.959 8.467 1.00 24.14 H new ATOM 0 HG2 LYS A 73 -2.679 11.095 9.745 1.00 4.22 H new ATOM 0 HG3 LYS A 73 -1.438 11.742 8.691 1.00 4.22 H new ATOM 0 HD2 LYS A 73 -4.101 10.778 7.583 1.00 23.43 H new ATOM 0 HD3 LYS A 73 -3.918 12.398 8.225 1.00 23.43 H new ATOM 0 HE2 LYS A 73 -1.981 12.744 6.598 1.00 0.31 H new ATOM 0 HE3 LYS A 73 -2.365 11.188 5.890 1.00 0.31 H new ATOM 0 HZ1 LYS A 73 -3.366 13.259 4.841 1.00 2.40 H new ATOM 0 HZ2 LYS A 73 -4.407 11.946 5.120 1.00 2.40 H new ATOM 0 HZ3 LYS A 73 -4.431 13.285 6.164 1.00 2.40 H new ATOM 1193 N LEU A 74 -0.098 6.843 8.704 1.00 45.41 N ATOM 1194 CA LEU A 74 0.147 5.415 8.874 1.00 43.11 C ATOM 1195 C LEU A 74 0.933 5.104 10.149 1.00 45.12 C ATOM 1196 O LEU A 74 0.758 4.046 10.751 1.00 34.24 O ATOM 1197 CB LEU A 74 0.937 4.924 7.644 1.00 32.43 C ATOM 1198 CG LEU A 74 0.151 3.987 6.731 1.00 74.11 C ATOM 1199 CD1 LEU A 74 -1.166 4.486 6.139 1.00 12.23 C ATOM 1200 CD2 LEU A 74 1.047 3.596 5.553 1.00 62.33 C ATOM 0 H LEU A 74 0.211 7.181 7.793 1.00 45.41 H new ATOM 0 HA LEU A 74 -0.812 4.904 8.964 1.00 43.11 H new ATOM 0 HB2 LEU A 74 1.262 5.789 7.066 1.00 32.43 H new ATOM 0 HB3 LEU A 74 1.837 4.412 7.985 1.00 32.43 H new ATOM 0 HG LEU A 74 -0.133 3.171 7.396 1.00 74.11 H new ATOM 0 HD11 LEU A 74 -1.603 3.707 5.514 1.00 12.23 H new ATOM 0 HD12 LEU A 74 -1.856 4.734 6.945 1.00 12.23 H new ATOM 0 HD13 LEU A 74 -0.980 5.374 5.534 1.00 12.23 H new ATOM 0 HD21 LEU A 74 0.502 2.926 4.888 1.00 62.33 H new ATOM 0 HD22 LEU A 74 1.339 4.492 5.005 1.00 62.33 H new ATOM 0 HD23 LEU A 74 1.939 3.092 5.926 1.00 62.33 H new ATOM 1212 N ASN A 75 1.798 6.023 10.573 1.00 34.11 N ATOM 1213 CA ASN A 75 2.594 5.892 11.784 1.00 11.32 C ATOM 1214 C ASN A 75 1.731 6.014 13.039 1.00 32.21 C ATOM 1215 O ASN A 75 2.215 5.681 14.116 1.00 1.30 O ATOM 1216 CB ASN A 75 3.714 6.959 11.819 1.00 61.01 C ATOM 1217 CG ASN A 75 5.119 6.378 11.735 1.00 34.53 C ATOM 1218 OD1 ASN A 75 5.366 5.262 12.188 1.00 63.00 O ATOM 1219 ND2 ASN A 75 6.073 7.079 11.140 1.00 40.34 N ATOM 0 H ASN A 75 1.966 6.895 10.072 1.00 34.11 H new ATOM 0 HA ASN A 75 3.042 4.899 11.770 1.00 11.32 H new ATOM 0 HB2 ASN A 75 3.568 7.653 10.991 1.00 61.01 H new ATOM 0 HB3 ASN A 75 3.624 7.537 12.739 1.00 61.01 H new ATOM 0 HD21 ASN A 75 7.013 6.693 11.057 1.00 40.34 H new ATOM 0 HD22 ASN A 75 5.867 8.005 10.765 1.00 40.34 H new ATOM 1226 N SER A 76 0.494 6.498 12.923 1.00 30.30 N ATOM 1227 CA SER A 76 -0.420 6.662 14.040 1.00 41.24 C ATOM 1228 C SER A 76 -1.284 5.410 14.164 1.00 53.42 C ATOM 1229 O SER A 76 -1.479 4.926 15.273 1.00 34.33 O ATOM 1230 CB SER A 76 -1.248 7.922 13.838 1.00 44.31 C ATOM 1231 OG SER A 76 -1.796 8.377 15.066 1.00 2.03 O ATOM 0 H SER A 76 0.097 6.791 12.030 1.00 30.30 H new ATOM 0 HA SER A 76 0.128 6.782 14.975 1.00 41.24 H new ATOM 0 HB2 SER A 76 -0.626 8.704 13.402 1.00 44.31 H new ATOM 0 HB3 SER A 76 -2.052 7.723 13.129 1.00 44.31 H new ATOM 0 HG SER A 76 -2.322 9.189 14.909 1.00 2.03 H new ATOM 1237 N LEU A 77 -1.744 4.858 13.033 1.00 61.52 N ATOM 1238 CA LEU A 77 -2.482 3.601 12.954 1.00 31.44 C ATOM 1239 C LEU A 77 -1.782 2.504 13.750 1.00 54.04 C ATOM 1240 O LEU A 77 -2.434 1.714 14.430 1.00 34.35 O ATOM 1241 CB LEU A 77 -2.560 3.158 11.481 1.00 4.04 C ATOM 1242 CG LEU A 77 -3.623 3.823 10.594 1.00 34.10 C ATOM 1243 CD1 LEU A 77 -4.987 3.173 10.840 1.00 2.42 C ATOM 1244 CD2 LEU A 77 -3.762 5.337 10.703 1.00 41.14 C ATOM 0 H LEU A 77 -1.605 5.293 12.121 1.00 61.52 H new ATOM 0 HA LEU A 77 -3.478 3.760 13.369 1.00 31.44 H new ATOM 0 HB2 LEU A 77 -1.585 3.333 11.026 1.00 4.04 H new ATOM 0 HB3 LEU A 77 -2.732 2.082 11.462 1.00 4.04 H new ATOM 0 HG LEU A 77 -3.260 3.653 9.580 1.00 34.10 H new ATOM 0 HD11 LEU A 77 -5.736 3.649 10.208 1.00 2.42 H new ATOM 0 HD12 LEU A 77 -4.932 2.111 10.601 1.00 2.42 H new ATOM 0 HD13 LEU A 77 -5.265 3.295 11.887 1.00 2.42 H new ATOM 0 HD21 LEU A 77 -4.545 5.680 10.027 1.00 41.14 H new ATOM 0 HD22 LEU A 77 -4.023 5.606 11.727 1.00 41.14 H new ATOM 0 HD23 LEU A 77 -2.817 5.809 10.434 1.00 41.14 H new ATOM 1256 N ASN A 78 -0.456 2.416 13.597 1.00 53.22 N ATOM 1257 CA ASN A 78 0.419 1.389 14.166 1.00 23.04 C ATOM 1258 C ASN A 78 0.064 -0.040 13.710 1.00 20.32 C ATOM 1259 O ASN A 78 0.688 -1.006 14.143 1.00 20.33 O ATOM 1260 CB ASN A 78 0.475 1.530 15.702 1.00 45.45 C ATOM 1261 CG ASN A 78 1.690 0.816 16.276 1.00 73.03 C ATOM 1262 OD1 ASN A 78 2.822 1.143 15.925 1.00 41.31 O ATOM 1263 ND2 ASN A 78 1.518 -0.196 17.106 1.00 42.20 N ATOM 0 H ASN A 78 0.062 3.097 13.042 1.00 53.22 H new ATOM 0 HA ASN A 78 1.421 1.559 13.773 1.00 23.04 H new ATOM 0 HB2 ASN A 78 0.509 2.585 15.972 1.00 45.45 H new ATOM 0 HB3 ASN A 78 -0.433 1.118 16.141 1.00 45.45 H new ATOM 0 HD21 ASN A 78 2.326 -0.710 17.458 1.00 42.20 H new ATOM 0 HD22 ASN A 78 0.577 -0.464 17.395 1.00 42.20 H new ATOM 1270 N GLU A 79 -0.934 -0.184 12.841 1.00 31.34 N ATOM 1271 CA GLU A 79 -1.468 -1.450 12.361 1.00 5.31 C ATOM 1272 C GLU A 79 -0.516 -2.135 11.367 1.00 5.44 C ATOM 1273 O GLU A 79 0.333 -1.466 10.778 1.00 1.21 O ATOM 1274 CB GLU A 79 -2.806 -1.141 11.673 1.00 13.14 C ATOM 1275 CG GLU A 79 -3.962 -1.023 12.681 1.00 2.43 C ATOM 1276 CD GLU A 79 -4.922 -2.197 12.521 1.00 74.43 C ATOM 1277 OE1 GLU A 79 -4.672 -3.274 13.106 1.00 73.31 O ATOM 1278 OE2 GLU A 79 -5.847 -2.090 11.677 1.00 11.34 O ATOM 0 H GLU A 79 -1.413 0.620 12.435 1.00 31.34 H new ATOM 0 HA GLU A 79 -1.594 -2.135 13.199 1.00 5.31 H new ATOM 0 HB2 GLU A 79 -2.718 -0.210 11.112 1.00 13.14 H new ATOM 0 HB3 GLU A 79 -3.033 -1.927 10.953 1.00 13.14 H new ATOM 0 HG2 GLU A 79 -3.568 -1.002 13.697 1.00 2.43 H new ATOM 0 HG3 GLU A 79 -4.495 -0.085 12.526 1.00 2.43 H new ATOM 1285 N PRO A 80 -0.683 -3.446 11.118 1.00 23.51 N ATOM 1286 CA PRO A 80 -0.051 -4.129 9.998 1.00 53.54 C ATOM 1287 C PRO A 80 -0.742 -3.739 8.687 1.00 24.12 C ATOM 1288 O PRO A 80 -1.970 -3.590 8.650 1.00 54.54 O ATOM 1289 CB PRO A 80 -0.205 -5.621 10.304 1.00 72.02 C ATOM 1290 CG PRO A 80 -1.501 -5.691 11.114 1.00 13.53 C ATOM 1291 CD PRO A 80 -1.538 -4.360 11.860 1.00 35.21 C ATOM 0 HA PRO A 80 0.999 -3.862 9.877 1.00 53.54 H new ATOM 0 HB2 PRO A 80 -0.271 -6.213 9.391 1.00 72.02 H new ATOM 0 HB3 PRO A 80 0.643 -6.003 10.871 1.00 72.02 H new ATOM 0 HG2 PRO A 80 -2.370 -5.811 10.468 1.00 13.53 H new ATOM 0 HG3 PRO A 80 -1.497 -6.536 11.803 1.00 13.53 H new ATOM 0 HD2 PRO A 80 -2.557 -3.977 11.919 1.00 35.21 H new ATOM 0 HD3 PRO A 80 -1.183 -4.479 12.884 1.00 35.21 H new ATOM 1299 N LEU A 81 0.046 -3.606 7.615 1.00 34.41 N ATOM 1300 CA LEU A 81 -0.401 -3.137 6.302 1.00 44.02 C ATOM 1301 C LEU A 81 0.197 -4.023 5.203 1.00 51.22 C ATOM 1302 O LEU A 81 1.177 -4.738 5.438 1.00 52.21 O ATOM 1303 CB LEU A 81 0.010 -1.661 6.030 1.00 41.12 C ATOM 1304 CG LEU A 81 0.452 -0.791 7.230 1.00 52.34 C ATOM 1305 CD1 LEU A 81 1.196 0.442 6.736 1.00 43.44 C ATOM 1306 CD2 LEU A 81 -0.737 -0.276 8.044 1.00 33.44 C ATOM 0 H LEU A 81 1.041 -3.829 7.639 1.00 34.41 H new ATOM 0 HA LEU A 81 -1.489 -3.194 6.296 1.00 44.02 H new ATOM 0 HB2 LEU A 81 0.826 -1.671 5.308 1.00 41.12 H new ATOM 0 HB3 LEU A 81 -0.834 -1.164 5.551 1.00 41.12 H new ATOM 0 HG LEU A 81 1.080 -1.430 7.852 1.00 52.34 H new ATOM 0 HD11 LEU A 81 1.503 1.048 7.589 1.00 43.44 H new ATOM 0 HD12 LEU A 81 2.078 0.134 6.174 1.00 43.44 H new ATOM 0 HD13 LEU A 81 0.541 1.028 6.091 1.00 43.44 H new ATOM 0 HD21 LEU A 81 -0.374 0.329 8.875 1.00 33.44 H new ATOM 0 HD22 LEU A 81 -1.379 0.331 7.406 1.00 33.44 H new ATOM 0 HD23 LEU A 81 -1.306 -1.121 8.432 1.00 33.44 H new ATOM 1318 N VAL A 82 -0.321 -3.912 3.979 1.00 74.14 N ATOM 1319 CA VAL A 82 0.227 -4.532 2.772 1.00 14.11 C ATOM 1320 C VAL A 82 0.038 -3.513 1.637 1.00 74.12 C ATOM 1321 O VAL A 82 -1.087 -3.073 1.403 1.00 12.15 O ATOM 1322 CB VAL A 82 -0.483 -5.881 2.479 1.00 54.23 C ATOM 1323 CG1 VAL A 82 0.154 -6.639 1.319 1.00 42.03 C ATOM 1324 CG2 VAL A 82 -0.617 -6.823 3.682 1.00 23.00 C ATOM 0 H VAL A 82 -1.164 -3.368 3.794 1.00 74.14 H new ATOM 0 HA VAL A 82 1.284 -4.773 2.885 1.00 14.11 H new ATOM 0 HB VAL A 82 -1.492 -5.571 2.207 1.00 54.23 H new ATOM 0 HG11 VAL A 82 -0.382 -7.574 1.158 1.00 42.03 H new ATOM 0 HG12 VAL A 82 0.103 -6.031 0.416 1.00 42.03 H new ATOM 0 HG13 VAL A 82 1.197 -6.854 1.554 1.00 42.03 H new ATOM 0 HG21 VAL A 82 -1.126 -7.736 3.374 1.00 23.00 H new ATOM 0 HG22 VAL A 82 0.374 -7.070 4.063 1.00 23.00 H new ATOM 0 HG23 VAL A 82 -1.194 -6.333 4.466 1.00 23.00 H new ATOM 1334 N THR A 83 1.104 -3.094 0.943 1.00 2.52 N ATOM 1335 CA THR A 83 1.007 -2.153 -0.177 1.00 55.31 C ATOM 1336 C THR A 83 2.256 -2.202 -1.076 1.00 74.50 C ATOM 1337 O THR A 83 3.234 -2.895 -0.794 1.00 60.44 O ATOM 1338 CB THR A 83 0.694 -0.729 0.344 1.00 71.24 C ATOM 1339 OG1 THR A 83 0.271 0.123 -0.705 1.00 73.01 O ATOM 1340 CG2 THR A 83 1.844 -0.056 1.104 1.00 62.51 C ATOM 0 H THR A 83 2.057 -3.398 1.143 1.00 2.52 H new ATOM 0 HA THR A 83 0.175 -2.456 -0.813 1.00 55.31 H new ATOM 0 HB THR A 83 -0.112 -0.878 1.062 1.00 71.24 H new ATOM 0 HG1 THR A 83 -0.604 0.506 -0.483 1.00 73.01 H new ATOM 0 HG21 THR A 83 1.533 0.936 1.430 1.00 62.51 H new ATOM 0 HG22 THR A 83 2.107 -0.658 1.974 1.00 62.51 H new ATOM 0 HG23 THR A 83 2.711 0.033 0.449 1.00 62.51 H new ATOM 1348 N MET A 84 2.200 -1.452 -2.169 1.00 4.42 N ATOM 1349 CA MET A 84 3.192 -1.224 -3.217 1.00 2.01 C ATOM 1350 C MET A 84 4.035 0.019 -2.838 1.00 31.43 C ATOM 1351 O MET A 84 3.645 0.751 -1.918 1.00 33.02 O ATOM 1352 CB MET A 84 2.491 -1.009 -4.577 1.00 5.44 C ATOM 1353 CG MET A 84 1.207 -1.809 -4.791 1.00 44.31 C ATOM 1354 SD MET A 84 -0.254 -1.020 -4.045 1.00 74.14 S ATOM 1355 CE MET A 84 -1.325 -2.459 -3.870 1.00 22.22 C ATOM 0 H MET A 84 1.352 -0.922 -2.368 1.00 4.42 H new ATOM 0 HA MET A 84 3.843 -2.093 -3.308 1.00 2.01 H new ATOM 0 HB2 MET A 84 2.259 0.051 -4.683 1.00 5.44 H new ATOM 0 HB3 MET A 84 3.193 -1.263 -5.371 1.00 5.44 H new ATOM 0 HG2 MET A 84 1.038 -1.936 -5.860 1.00 44.31 H new ATOM 0 HG3 MET A 84 1.331 -2.806 -4.367 1.00 44.31 H new ATOM 0 HE1 MET A 84 -2.365 -2.154 -3.983 1.00 22.22 H new ATOM 0 HE2 MET A 84 -1.076 -3.193 -4.636 1.00 22.22 H new ATOM 0 HE3 MET A 84 -1.182 -2.901 -2.884 1.00 22.22 H new ATOM 1365 N PRO A 85 5.185 0.287 -3.483 1.00 75.30 N ATOM 1366 CA PRO A 85 6.100 1.351 -3.077 1.00 61.12 C ATOM 1367 C PRO A 85 5.551 2.743 -3.435 1.00 53.42 C ATOM 1368 O PRO A 85 5.782 3.251 -4.527 1.00 63.24 O ATOM 1369 CB PRO A 85 7.415 1.008 -3.786 1.00 51.43 C ATOM 1370 CG PRO A 85 6.943 0.386 -5.101 1.00 14.35 C ATOM 1371 CD PRO A 85 5.667 -0.356 -4.701 1.00 3.24 C ATOM 0 HA PRO A 85 6.239 1.404 -1.997 1.00 61.12 H new ATOM 0 HB2 PRO A 85 8.026 1.895 -3.955 1.00 51.43 H new ATOM 0 HB3 PRO A 85 8.018 0.312 -3.203 1.00 51.43 H new ATOM 0 HG2 PRO A 85 6.746 1.146 -5.858 1.00 14.35 H new ATOM 0 HG3 PRO A 85 7.689 -0.292 -5.516 1.00 14.35 H new ATOM 0 HD2 PRO A 85 4.920 -0.299 -5.493 1.00 3.24 H new ATOM 0 HD3 PRO A 85 5.869 -1.413 -4.529 1.00 3.24 H new ATOM 1379 N ILE A 86 4.842 3.384 -2.500 1.00 64.31 N ATOM 1380 CA ILE A 86 3.993 4.562 -2.709 1.00 64.55 C ATOM 1381 C ILE A 86 4.656 5.634 -3.582 1.00 11.43 C ATOM 1382 O ILE A 86 4.106 6.041 -4.605 1.00 51.24 O ATOM 1383 CB ILE A 86 3.521 5.113 -1.336 1.00 0.13 C ATOM 1384 CG1 ILE A 86 2.735 4.009 -0.587 1.00 23.43 C ATOM 1385 CG2 ILE A 86 2.697 6.408 -1.487 1.00 4.21 C ATOM 1386 CD1 ILE A 86 2.051 4.439 0.709 1.00 44.01 C ATOM 0 H ILE A 86 4.845 3.079 -1.527 1.00 64.31 H new ATOM 0 HA ILE A 86 3.116 4.251 -3.276 1.00 64.55 H new ATOM 0 HB ILE A 86 4.396 5.384 -0.745 1.00 0.13 H new ATOM 0 HG12 ILE A 86 1.976 3.610 -1.260 1.00 23.43 H new ATOM 0 HG13 ILE A 86 3.421 3.193 -0.360 1.00 23.43 H new ATOM 0 HG21 ILE A 86 2.387 6.759 -0.503 1.00 4.21 H new ATOM 0 HG22 ILE A 86 3.306 7.172 -1.970 1.00 4.21 H new ATOM 0 HG23 ILE A 86 1.815 6.209 -2.096 1.00 4.21 H new ATOM 0 HD11 ILE A 86 1.532 3.586 1.147 1.00 44.01 H new ATOM 0 HD12 ILE A 86 2.799 4.807 1.411 1.00 44.01 H new ATOM 0 HD13 ILE A 86 1.333 5.231 0.496 1.00 44.01 H new ATOM 1398 N GLY A 87 5.826 6.128 -3.188 1.00 33.34 N ATOM 1399 CA GLY A 87 6.428 7.271 -3.855 1.00 2.33 C ATOM 1400 C GLY A 87 7.114 6.906 -5.173 1.00 44.22 C ATOM 1401 O GLY A 87 7.509 7.801 -5.917 1.00 53.10 O ATOM 0 H GLY A 87 6.372 5.754 -2.412 1.00 33.34 H new ATOM 0 HA2 GLY A 87 5.658 8.018 -4.048 1.00 2.33 H new ATOM 0 HA3 GLY A 87 7.158 7.730 -3.188 1.00 2.33 H new ATOM 1405 N TYR A 88 7.266 5.620 -5.498 1.00 61.22 N ATOM 1406 CA TYR A 88 7.901 5.163 -6.740 1.00 1.34 C ATOM 1407 C TYR A 88 7.135 5.659 -7.976 1.00 63.21 C ATOM 1408 O TYR A 88 7.677 5.810 -9.071 1.00 60.30 O ATOM 1409 CB TYR A 88 7.957 3.629 -6.691 1.00 65.14 C ATOM 1410 CG TYR A 88 8.704 2.944 -7.812 1.00 71.03 C ATOM 1411 CD1 TYR A 88 8.057 2.747 -9.044 1.00 3.53 C ATOM 1412 CD2 TYR A 88 10.022 2.484 -7.629 1.00 4.21 C ATOM 1413 CE1 TYR A 88 8.734 2.169 -10.120 1.00 70.23 C ATOM 1414 CE2 TYR A 88 10.704 1.875 -8.698 1.00 74.23 C ATOM 1415 CZ TYR A 88 10.073 1.753 -9.954 1.00 55.24 C ATOM 1416 OH TYR A 88 10.765 1.258 -11.013 1.00 12.01 O ATOM 0 H TYR A 88 6.949 4.857 -4.900 1.00 61.22 H new ATOM 0 HA TYR A 88 8.907 5.573 -6.823 1.00 1.34 H new ATOM 0 HB2 TYR A 88 8.415 3.335 -5.747 1.00 65.14 H new ATOM 0 HB3 TYR A 88 6.935 3.251 -6.681 1.00 65.14 H new ATOM 0 HD1 TYR A 88 7.026 3.046 -9.160 1.00 3.53 H new ATOM 0 HD2 TYR A 88 10.508 2.598 -6.671 1.00 4.21 H new ATOM 0 HE1 TYR A 88 8.238 2.041 -11.071 1.00 70.23 H new ATOM 0 HE2 TYR A 88 11.708 1.502 -8.558 1.00 74.23 H new ATOM 0 HH TYR A 88 11.672 1.020 -10.729 1.00 12.01 H new ATOM 1426 N VAL A 89 5.853 5.949 -7.790 1.00 24.53 N ATOM 1427 CA VAL A 89 4.895 6.113 -8.864 1.00 54.23 C ATOM 1428 C VAL A 89 4.508 7.578 -8.987 1.00 73.14 C ATOM 1429 O VAL A 89 5.022 8.266 -9.867 1.00 74.01 O ATOM 1430 CB VAL A 89 3.765 5.075 -8.813 1.00 33.21 C ATOM 1431 CG1 VAL A 89 4.322 3.691 -9.197 1.00 71.22 C ATOM 1432 CG2 VAL A 89 3.137 4.928 -7.438 1.00 22.12 C ATOM 0 H VAL A 89 5.446 6.079 -6.864 1.00 24.53 H new ATOM 0 HA VAL A 89 5.351 5.872 -9.824 1.00 54.23 H new ATOM 0 HB VAL A 89 3.003 5.430 -9.507 1.00 33.21 H new ATOM 0 HG11 VAL A 89 3.520 2.953 -9.161 1.00 71.22 H new ATOM 0 HG12 VAL A 89 4.733 3.731 -10.206 1.00 71.22 H new ATOM 0 HG13 VAL A 89 5.107 3.408 -8.496 1.00 71.22 H new ATOM 0 HG21 VAL A 89 2.347 4.178 -7.477 1.00 22.12 H new ATOM 0 HG22 VAL A 89 3.898 4.617 -6.722 1.00 22.12 H new ATOM 0 HG23 VAL A 89 2.715 5.884 -7.127 1.00 22.12 H new ATOM 1442 N THR A 90 3.695 8.095 -8.074 1.00 13.23 N ATOM 1443 CA THR A 90 3.238 9.471 -8.126 1.00 13.25 C ATOM 1444 C THR A 90 4.422 10.452 -8.036 1.00 64.20 C ATOM 1445 O THR A 90 4.451 11.426 -8.794 1.00 32.14 O ATOM 1446 CB THR A 90 2.158 9.648 -7.047 1.00 15.31 C ATOM 1447 OG1 THR A 90 1.519 10.896 -7.152 1.00 51.04 O ATOM 1448 CG2 THR A 90 2.702 9.473 -5.627 1.00 14.33 C ATOM 0 H THR A 90 3.336 7.569 -7.278 1.00 13.23 H new ATOM 0 HA THR A 90 2.779 9.708 -9.086 1.00 13.25 H new ATOM 0 HB THR A 90 1.432 8.856 -7.229 1.00 15.31 H new ATOM 0 HG1 THR A 90 1.222 11.187 -6.265 1.00 51.04 H new ATOM 0 HG21 THR A 90 1.894 9.609 -4.908 1.00 14.33 H new ATOM 0 HG22 THR A 90 3.119 8.472 -5.518 1.00 14.33 H new ATOM 0 HG23 THR A 90 3.481 10.213 -5.442 1.00 14.33 H new ATOM 1456 N HIS A 91 5.429 10.173 -7.191 1.00 11.31 N ATOM 1457 CA HIS A 91 6.593 11.039 -6.985 1.00 34.43 C ATOM 1458 C HIS A 91 7.782 10.623 -7.870 1.00 71.33 C ATOM 1459 O HIS A 91 8.749 11.379 -7.979 1.00 43.04 O ATOM 1460 CB HIS A 91 6.975 11.057 -5.493 1.00 53.31 C ATOM 1461 CG HIS A 91 7.692 12.308 -5.035 1.00 30.23 C ATOM 1462 ND1 HIS A 91 8.885 12.788 -5.530 1.00 52.12 N ATOM 1463 CD2 HIS A 91 7.327 13.116 -3.990 1.00 42.12 C ATOM 1464 CE1 HIS A 91 9.231 13.864 -4.805 1.00 24.04 C ATOM 1465 NE2 HIS A 91 8.306 14.110 -3.860 1.00 52.32 N ATOM 0 H HIS A 91 5.454 9.325 -6.625 1.00 11.31 H new ATOM 0 HA HIS A 91 6.324 12.051 -7.287 1.00 34.43 H new ATOM 0 HB2 HIS A 91 6.069 10.937 -4.899 1.00 53.31 H new ATOM 0 HB3 HIS A 91 7.609 10.195 -5.285 1.00 53.31 H new ATOM 0 HD1 HIS A 91 9.412 12.395 -6.310 1.00 52.12 H new ATOM 0 HD2 HIS A 91 6.444 13.006 -3.377 1.00 42.12 H new ATOM 0 HE1 HIS A 91 10.126 14.449 -4.959 1.00 24.04 H new ATOM 1473 N GLY A 92 7.708 9.464 -8.535 1.00 22.51 N ATOM 1474 CA GLY A 92 8.710 9.017 -9.492 1.00 23.41 C ATOM 1475 C GLY A 92 10.036 8.626 -8.848 1.00 74.11 C ATOM 1476 O GLY A 92 11.079 8.835 -9.473 1.00 65.44 O ATOM 0 H GLY A 92 6.937 8.806 -8.417 1.00 22.51 H new ATOM 0 HA2 GLY A 92 8.318 8.163 -10.044 1.00 23.41 H new ATOM 0 HA3 GLY A 92 8.888 9.811 -10.217 1.00 23.41 H new ATOM 1480 N PHE A 93 10.030 8.102 -7.616 1.00 12.10 N ATOM 1481 CA PHE A 93 11.289 7.655 -7.014 1.00 43.03 C ATOM 1482 C PHE A 93 11.746 6.346 -7.671 1.00 55.44 C ATOM 1483 O PHE A 93 10.917 5.568 -8.132 1.00 71.12 O ATOM 1484 CB PHE A 93 11.129 7.428 -5.516 1.00 2.30 C ATOM 1485 CG PHE A 93 10.858 8.687 -4.734 1.00 15.43 C ATOM 1486 CD1 PHE A 93 11.688 9.811 -4.866 1.00 43.24 C ATOM 1487 CD2 PHE A 93 9.755 8.739 -3.874 1.00 24.31 C ATOM 1488 CE1 PHE A 93 11.383 10.986 -4.169 1.00 44.35 C ATOM 1489 CE2 PHE A 93 9.470 9.903 -3.146 1.00 62.44 C ATOM 1490 CZ PHE A 93 10.276 11.038 -3.300 1.00 25.50 C ATOM 0 H PHE A 93 9.200 7.980 -7.036 1.00 12.10 H new ATOM 0 HA PHE A 93 12.034 8.434 -7.175 1.00 43.03 H new ATOM 0 HB2 PHE A 93 10.312 6.726 -5.350 1.00 2.30 H new ATOM 0 HB3 PHE A 93 12.035 6.960 -5.130 1.00 2.30 H new ATOM 0 HD1 PHE A 93 12.559 9.770 -5.503 1.00 43.24 H new ATOM 0 HD2 PHE A 93 9.117 7.874 -3.770 1.00 24.31 H new ATOM 0 HE1 PHE A 93 12.003 11.861 -4.299 1.00 44.35 H new ATOM 0 HE2 PHE A 93 8.630 9.924 -2.467 1.00 62.44 H new ATOM 0 HZ PHE A 93 10.051 11.944 -2.758 1.00 25.50 H new ATOM 1500 N ASN A 94 13.047 6.044 -7.642 1.00 14.33 N ATOM 1501 CA ASN A 94 13.562 4.763 -8.134 1.00 44.43 C ATOM 1502 C ASN A 94 13.491 3.675 -7.065 1.00 22.13 C ATOM 1503 O ASN A 94 13.061 3.904 -5.925 1.00 74.35 O ATOM 1504 CB ASN A 94 14.987 4.927 -8.695 1.00 12.13 C ATOM 1505 CG ASN A 94 14.954 5.700 -10.002 1.00 32.33 C ATOM 1506 OD1 ASN A 94 15.515 6.780 -10.101 1.00 11.11 O ATOM 1507 ND2 ASN A 94 14.265 5.188 -11.015 1.00 43.51 N ATOM 0 H ASN A 94 13.765 6.672 -7.281 1.00 14.33 H new ATOM 0 HA ASN A 94 12.920 4.437 -8.952 1.00 44.43 H new ATOM 0 HB2 ASN A 94 15.612 5.450 -7.971 1.00 12.13 H new ATOM 0 HB3 ASN A 94 15.437 3.947 -8.855 1.00 12.13 H new ATOM 0 HD21 ASN A 94 14.197 5.698 -11.896 1.00 43.51 H new ATOM 0 HD22 ASN A 94 13.803 4.284 -10.913 1.00 43.51 H new ATOM 1514 N LEU A 95 13.904 2.460 -7.441 1.00 30.24 N ATOM 1515 CA LEU A 95 13.722 1.260 -6.629 1.00 41.30 C ATOM 1516 C LEU A 95 14.514 1.312 -5.321 1.00 55.53 C ATOM 1517 O LEU A 95 14.045 0.779 -4.319 1.00 73.15 O ATOM 1518 CB LEU A 95 14.077 -0.007 -7.431 1.00 11.11 C ATOM 1519 CG LEU A 95 13.192 -1.206 -7.012 1.00 65.35 C ATOM 1520 CD1 LEU A 95 12.295 -1.642 -8.174 1.00 30.12 C ATOM 1521 CD2 LEU A 95 13.990 -2.422 -6.534 1.00 73.41 C ATOM 0 H LEU A 95 14.378 2.284 -8.327 1.00 30.24 H new ATOM 0 HA LEU A 95 12.666 1.219 -6.361 1.00 41.30 H new ATOM 0 HB2 LEU A 95 13.949 0.187 -8.496 1.00 11.11 H new ATOM 0 HB3 LEU A 95 15.127 -0.256 -7.276 1.00 11.11 H new ATOM 0 HG LEU A 95 12.597 -0.849 -6.171 1.00 65.35 H new ATOM 0 HD11 LEU A 95 11.680 -2.486 -7.862 1.00 30.12 H new ATOM 0 HD12 LEU A 95 11.651 -0.813 -8.468 1.00 30.12 H new ATOM 0 HD13 LEU A 95 12.914 -1.938 -9.021 1.00 30.12 H new ATOM 0 HD21 LEU A 95 13.303 -3.222 -6.257 1.00 73.41 H new ATOM 0 HD22 LEU A 95 14.644 -2.766 -7.335 1.00 73.41 H new ATOM 0 HD23 LEU A 95 14.592 -2.145 -5.668 1.00 73.41 H new ATOM 1533 N GLU A 96 15.650 2.005 -5.309 1.00 31.24 N ATOM 1534 CA GLU A 96 16.503 2.170 -4.135 1.00 14.14 C ATOM 1535 C GLU A 96 16.103 3.408 -3.316 1.00 44.35 C ATOM 1536 O GLU A 96 16.452 3.523 -2.142 1.00 33.41 O ATOM 1537 CB GLU A 96 17.948 2.199 -4.655 1.00 33.03 C ATOM 1538 CG GLU A 96 19.021 2.447 -3.592 1.00 31.12 C ATOM 1539 CD GLU A 96 20.436 2.123 -4.082 1.00 4.31 C ATOM 1540 OE1 GLU A 96 20.692 2.103 -5.308 1.00 62.12 O ATOM 1541 OE2 GLU A 96 21.343 1.963 -3.227 1.00 35.40 O ATOM 0 H GLU A 96 16.012 2.479 -6.136 1.00 31.24 H new ATOM 0 HA GLU A 96 16.391 1.347 -3.429 1.00 14.14 H new ATOM 0 HB2 GLU A 96 18.159 1.249 -5.146 1.00 33.03 H new ATOM 0 HB3 GLU A 96 18.027 2.976 -5.416 1.00 33.03 H new ATOM 0 HG2 GLU A 96 18.981 3.491 -3.280 1.00 31.12 H new ATOM 0 HG3 GLU A 96 18.800 1.842 -2.712 1.00 31.12 H new ATOM 1548 N GLU A 97 15.320 4.315 -3.905 1.00 2.51 N ATOM 1549 CA GLU A 97 14.960 5.588 -3.302 1.00 32.52 C ATOM 1550 C GLU A 97 13.644 5.493 -2.551 1.00 2.44 C ATOM 1551 O GLU A 97 13.609 5.787 -1.361 1.00 21.45 O ATOM 1552 CB GLU A 97 14.890 6.649 -4.400 1.00 22.53 C ATOM 1553 CG GLU A 97 16.306 7.069 -4.793 1.00 24.32 C ATOM 1554 CD GLU A 97 17.021 7.844 -3.673 1.00 14.25 C ATOM 1555 OE1 GLU A 97 16.349 8.538 -2.876 1.00 40.44 O ATOM 1556 OE2 GLU A 97 18.261 7.741 -3.545 1.00 34.30 O ATOM 0 H GLU A 97 14.914 4.177 -4.831 1.00 2.51 H new ATOM 0 HA GLU A 97 15.720 5.867 -2.572 1.00 32.52 H new ATOM 0 HB2 GLU A 97 14.362 6.255 -5.268 1.00 22.53 H new ATOM 0 HB3 GLU A 97 14.327 7.514 -4.050 1.00 22.53 H new ATOM 0 HG2 GLU A 97 16.888 6.183 -5.046 1.00 24.32 H new ATOM 0 HG3 GLU A 97 16.263 7.688 -5.689 1.00 24.32 H new ATOM 1563 N ALA A 98 12.551 5.067 -3.197 1.00 44.21 N ATOM 1564 CA ALA A 98 11.240 5.024 -2.539 1.00 4.13 C ATOM 1565 C ALA A 98 11.246 4.133 -1.281 1.00 11.40 C ATOM 1566 O ALA A 98 10.426 4.332 -0.377 1.00 52.41 O ATOM 1567 CB ALA A 98 10.134 4.613 -3.525 1.00 42.41 C ATOM 0 H ALA A 98 12.548 4.750 -4.166 1.00 44.21 H new ATOM 0 HA ALA A 98 11.019 6.036 -2.200 1.00 4.13 H new ATOM 0 HB1 ALA A 98 9.175 4.590 -3.007 1.00 42.41 H new ATOM 0 HB2 ALA A 98 10.089 5.333 -4.342 1.00 42.41 H new ATOM 0 HB3 ALA A 98 10.353 3.623 -3.926 1.00 42.41 H new ATOM 1573 N ALA A 99 12.214 3.215 -1.207 1.00 35.03 N ATOM 1574 CA ALA A 99 12.572 2.397 -0.064 1.00 11.42 C ATOM 1575 C ALA A 99 12.755 3.230 1.208 1.00 74.52 C ATOM 1576 O ALA A 99 12.270 2.820 2.261 1.00 35.24 O ATOM 1577 CB ALA A 99 13.864 1.640 -0.404 1.00 15.50 C ATOM 0 H ALA A 99 12.809 3.016 -2.011 1.00 35.03 H new ATOM 0 HA ALA A 99 11.761 1.698 0.139 1.00 11.42 H new ATOM 0 HB1 ALA A 99 14.154 1.017 0.442 1.00 15.50 H new ATOM 0 HB2 ALA A 99 13.698 1.011 -1.278 1.00 15.50 H new ATOM 0 HB3 ALA A 99 14.659 2.355 -0.617 1.00 15.50 H new ATOM 1583 N ARG A 100 13.414 4.394 1.133 1.00 41.30 N ATOM 1584 CA ARG A 100 13.790 5.181 2.310 1.00 12.21 C ATOM 1585 C ARG A 100 12.548 5.581 3.092 1.00 54.30 C ATOM 1586 O ARG A 100 12.477 5.429 4.308 1.00 12.11 O ATOM 1587 CB ARG A 100 14.660 6.386 1.897 1.00 44.23 C ATOM 1588 CG ARG A 100 13.946 7.527 1.141 1.00 73.23 C ATOM 1589 CD ARG A 100 14.893 8.250 0.179 1.00 55.14 C ATOM 1590 NE ARG A 100 15.879 9.036 0.924 1.00 43.04 N ATOM 1591 CZ ARG A 100 17.168 9.206 0.628 1.00 55.31 C ATOM 1592 NH1 ARG A 100 17.708 8.753 -0.495 1.00 23.44 N ATOM 1593 NH2 ARG A 100 17.915 9.844 1.510 1.00 32.54 N ATOM 0 H ARG A 100 13.701 4.816 0.250 1.00 41.30 H new ATOM 0 HA ARG A 100 14.400 4.573 2.978 1.00 12.21 H new ATOM 0 HB2 ARG A 100 15.112 6.804 2.796 1.00 44.23 H new ATOM 0 HB3 ARG A 100 15.474 6.020 1.271 1.00 44.23 H new ATOM 0 HG2 ARG A 100 13.102 7.121 0.584 1.00 73.23 H new ATOM 0 HG3 ARG A 100 13.541 8.241 1.858 1.00 73.23 H new ATOM 0 HD2 ARG A 100 15.402 7.523 -0.454 1.00 55.14 H new ATOM 0 HD3 ARG A 100 14.322 8.903 -0.481 1.00 55.14 H new ATOM 0 HE ARG A 100 15.542 9.506 1.764 1.00 43.04 H new ATOM 0 HH11 ARG A 100 17.132 8.252 -1.172 1.00 23.44 H new ATOM 0 HH12 ARG A 100 18.699 8.905 -0.682 1.00 23.44 H new ATOM 0 HH21 ARG A 100 17.501 10.185 2.378 1.00 32.54 H new ATOM 0 HH22 ARG A 100 18.906 9.996 1.324 1.00 32.54 H new ATOM 1607 N CYS A 101 11.542 6.054 2.364 1.00 21.33 N ATOM 1608 CA CYS A 101 10.293 6.536 2.905 1.00 42.41 C ATOM 1609 C CYS A 101 9.472 5.367 3.434 1.00 44.12 C ATOM 1610 O CYS A 101 8.860 5.516 4.486 1.00 21.20 O ATOM 1611 CB CYS A 101 9.619 7.340 1.795 1.00 23.30 C ATOM 1612 SG CYS A 101 8.515 8.613 2.450 1.00 5.13 S ATOM 0 H CYS A 101 11.583 6.111 1.346 1.00 21.33 H new ATOM 0 HA CYS A 101 10.425 7.192 3.766 1.00 42.41 H new ATOM 0 HB2 CYS A 101 10.382 7.808 1.173 1.00 23.30 H new ATOM 0 HB3 CYS A 101 9.053 6.666 1.152 1.00 23.30 H new ATOM 0 HG CYS A 101 8.138 9.399 1.485 1.00 5.13 H new ATOM 1618 N MET A 102 9.517 4.197 2.781 1.00 13.33 N ATOM 1619 CA MET A 102 8.901 2.995 3.333 1.00 22.10 C ATOM 1620 C MET A 102 9.530 2.668 4.690 1.00 21.33 C ATOM 1621 O MET A 102 8.808 2.630 5.685 1.00 43.44 O ATOM 1622 CB MET A 102 8.959 1.804 2.360 1.00 12.11 C ATOM 1623 CG MET A 102 8.185 2.080 1.062 1.00 54.12 C ATOM 1624 SD MET A 102 7.061 0.761 0.508 1.00 52.10 S ATOM 1625 CE MET A 102 5.757 0.765 1.777 1.00 13.42 C ATOM 0 H MET A 102 9.971 4.064 1.877 1.00 13.33 H new ATOM 0 HA MET A 102 7.840 3.194 3.484 1.00 22.10 H new ATOM 0 HB2 MET A 102 9.999 1.582 2.121 1.00 12.11 H new ATOM 0 HB3 MET A 102 8.548 0.919 2.846 1.00 12.11 H new ATOM 0 HG2 MET A 102 7.604 2.993 1.196 1.00 54.12 H new ATOM 0 HG3 MET A 102 8.905 2.274 0.267 1.00 54.12 H new ATOM 0 HE1 MET A 102 5.017 0.000 1.541 1.00 13.42 H new ATOM 0 HE2 MET A 102 6.197 0.555 2.752 1.00 13.42 H new ATOM 0 HE3 MET A 102 5.274 1.742 1.799 1.00 13.42 H new ATOM 1635 N ARG A 103 10.853 2.475 4.784 1.00 60.21 N ATOM 1636 CA ARG A 103 11.464 2.083 6.061 1.00 2.43 C ATOM 1637 C ARG A 103 11.468 3.198 7.115 1.00 31.13 C ATOM 1638 O ARG A 103 11.784 2.927 8.275 1.00 73.11 O ATOM 1639 CB ARG A 103 12.833 1.401 5.858 1.00 13.40 C ATOM 1640 CG ARG A 103 13.997 2.218 5.272 1.00 64.31 C ATOM 1641 CD ARG A 103 14.480 3.372 6.159 1.00 52.11 C ATOM 1642 NE ARG A 103 15.838 3.801 5.786 1.00 10.13 N ATOM 1643 CZ ARG A 103 16.977 3.397 6.359 1.00 43.35 C ATOM 1644 NH1 ARG A 103 16.977 2.550 7.381 1.00 64.41 N ATOM 1645 NH2 ARG A 103 18.119 3.887 5.909 1.00 51.01 N ATOM 0 H ARG A 103 11.508 2.581 4.009 1.00 60.21 H new ATOM 0 HA ARG A 103 10.812 1.324 6.493 1.00 2.43 H new ATOM 0 HB2 ARG A 103 13.156 1.017 6.826 1.00 13.40 H new ATOM 0 HB3 ARG A 103 12.677 0.539 5.209 1.00 13.40 H new ATOM 0 HG2 ARG A 103 14.835 1.547 5.084 1.00 64.31 H new ATOM 0 HG3 ARG A 103 13.690 2.623 4.308 1.00 64.31 H new ATOM 0 HD2 ARG A 103 13.793 4.214 6.070 1.00 52.11 H new ATOM 0 HD3 ARG A 103 14.469 3.060 7.203 1.00 52.11 H new ATOM 0 HE ARG A 103 15.918 4.469 5.019 1.00 10.13 H new ATOM 0 HH11 ARG A 103 16.095 2.192 7.747 1.00 64.41 H new ATOM 0 HH12 ARG A 103 17.859 2.257 7.801 1.00 64.41 H new ATOM 0 HH21 ARG A 103 18.119 4.558 5.141 1.00 51.01 H new ATOM 0 HH22 ARG A 103 19.001 3.594 6.330 1.00 51.01 H new ATOM 1659 N SER A 104 11.135 4.442 6.763 1.00 64.24 N ATOM 1660 CA SER A 104 10.917 5.517 7.728 1.00 63.21 C ATOM 1661 C SER A 104 9.617 5.287 8.523 1.00 44.32 C ATOM 1662 O SER A 104 9.466 5.827 9.624 1.00 33.34 O ATOM 1663 CB SER A 104 10.916 6.852 6.967 1.00 11.22 C ATOM 1664 OG SER A 104 10.805 7.983 7.810 1.00 11.34 O ATOM 0 H SER A 104 11.009 4.732 5.793 1.00 64.24 H new ATOM 0 HA SER A 104 11.719 5.536 8.466 1.00 63.21 H new ATOM 0 HB2 SER A 104 11.835 6.931 6.386 1.00 11.22 H new ATOM 0 HB3 SER A 104 10.089 6.856 6.257 1.00 11.22 H new ATOM 0 HG SER A 104 10.812 8.798 7.266 1.00 11.34 H new ATOM 1670 N LEU A 105 8.680 4.482 8.010 1.00 30.42 N ATOM 1671 CA LEU A 105 7.514 4.052 8.769 1.00 43.02 C ATOM 1672 C LEU A 105 7.977 3.159 9.921 1.00 34.43 C ATOM 1673 O LEU A 105 8.913 2.376 9.763 1.00 2.12 O ATOM 1674 CB LEU A 105 6.566 3.292 7.828 1.00 2.12 C ATOM 1675 CG LEU A 105 5.214 2.899 8.438 1.00 71.44 C ATOM 1676 CD1 LEU A 105 4.406 4.083 8.974 1.00 51.35 C ATOM 1677 CD2 LEU A 105 4.373 2.200 7.372 1.00 43.01 C ATOM 0 H LEU A 105 8.714 4.114 7.059 1.00 30.42 H new ATOM 0 HA LEU A 105 6.982 4.908 9.185 1.00 43.02 H new ATOM 0 HB2 LEU A 105 6.384 3.908 6.947 1.00 2.12 H new ATOM 0 HB3 LEU A 105 7.068 2.387 7.486 1.00 2.12 H new ATOM 0 HG LEU A 105 5.438 2.250 9.284 1.00 71.44 H new ATOM 0 HD11 LEU A 105 3.464 3.723 9.388 1.00 51.35 H new ATOM 0 HD12 LEU A 105 4.976 4.589 9.753 1.00 51.35 H new ATOM 0 HD13 LEU A 105 4.202 4.781 8.162 1.00 51.35 H new ATOM 0 HD21 LEU A 105 3.410 1.917 7.796 1.00 43.01 H new ATOM 0 HD22 LEU A 105 4.215 2.876 6.532 1.00 43.01 H new ATOM 0 HD23 LEU A 105 4.893 1.307 7.026 1.00 43.01 H new ATOM 1689 N LYS A 106 7.327 3.261 11.083 1.00 73.24 N ATOM 1690 CA LYS A 106 7.595 2.356 12.199 1.00 61.10 C ATOM 1691 C LYS A 106 6.757 1.084 12.082 1.00 21.34 C ATOM 1692 O LYS A 106 7.269 0.004 12.374 1.00 62.23 O ATOM 1693 CB LYS A 106 7.326 3.046 13.525 1.00 0.23 C ATOM 1694 CG LYS A 106 8.155 4.332 13.661 1.00 31.32 C ATOM 1695 CD LYS A 106 8.144 4.719 15.128 1.00 35.12 C ATOM 1696 CE LYS A 106 8.663 6.145 15.340 1.00 44.22 C ATOM 1697 NZ LYS A 106 8.464 6.589 16.733 1.00 0.22 N ATOM 0 H LYS A 106 6.611 3.962 11.274 1.00 73.24 H new ATOM 0 HA LYS A 106 8.648 2.077 12.161 1.00 61.10 H new ATOM 0 HB2 LYS A 106 6.265 3.284 13.605 1.00 0.23 H new ATOM 0 HB3 LYS A 106 7.564 2.369 14.345 1.00 0.23 H new ATOM 0 HG2 LYS A 106 9.175 4.171 13.313 1.00 31.32 H new ATOM 0 HG3 LYS A 106 7.732 5.129 13.050 1.00 31.32 H new ATOM 0 HD2 LYS A 106 7.129 4.639 15.518 1.00 35.12 H new ATOM 0 HD3 LYS A 106 8.759 4.020 15.694 1.00 35.12 H new ATOM 0 HE2 LYS A 106 9.723 6.189 15.091 1.00 44.22 H new ATOM 0 HE3 LYS A 106 8.148 6.826 14.662 1.00 44.22 H new ATOM 0 HZ1 LYS A 106 8.826 7.558 16.844 1.00 0.22 H new ATOM 0 HZ2 LYS A 106 7.450 6.570 16.962 1.00 0.22 H new ATOM 0 HZ3 LYS A 106 8.976 5.953 17.377 1.00 0.22 H new ATOM 1711 N ALA A 107 5.485 1.232 11.691 1.00 41.12 N ATOM 1712 CA ALA A 107 4.505 0.160 11.571 1.00 51.21 C ATOM 1713 C ALA A 107 4.931 -0.856 10.503 1.00 61.20 C ATOM 1714 O ALA A 107 5.553 -0.457 9.511 1.00 25.43 O ATOM 1715 CB ALA A 107 3.141 0.773 11.229 1.00 50.12 C ATOM 0 H ALA A 107 5.100 2.143 11.440 1.00 41.12 H new ATOM 0 HA ALA A 107 4.436 -0.375 12.518 1.00 51.21 H new ATOM 0 HB1 ALA A 107 2.399 -0.020 11.136 1.00 50.12 H new ATOM 0 HB2 ALA A 107 2.842 1.460 12.021 1.00 50.12 H new ATOM 0 HB3 ALA A 107 3.212 1.315 10.286 1.00 50.12 H new ATOM 1721 N PRO A 108 4.604 -2.149 10.666 1.00 73.35 N ATOM 1722 CA PRO A 108 5.019 -3.174 9.726 1.00 63.04 C ATOM 1723 C PRO A 108 4.165 -3.098 8.458 1.00 62.02 C ATOM 1724 O PRO A 108 2.944 -2.962 8.529 1.00 61.41 O ATOM 1725 CB PRO A 108 4.836 -4.497 10.462 1.00 11.34 C ATOM 1726 CG PRO A 108 3.712 -4.227 11.460 1.00 54.44 C ATOM 1727 CD PRO A 108 3.840 -2.734 11.762 1.00 25.01 C ATOM 0 HA PRO A 108 6.053 -3.054 9.402 1.00 63.04 H new ATOM 0 HB2 PRO A 108 4.572 -5.300 9.774 1.00 11.34 H new ATOM 0 HB3 PRO A 108 5.752 -4.799 10.969 1.00 11.34 H new ATOM 0 HG2 PRO A 108 2.736 -4.467 11.038 1.00 54.44 H new ATOM 0 HG3 PRO A 108 3.825 -4.828 12.362 1.00 54.44 H new ATOM 0 HD2 PRO A 108 2.857 -2.269 11.840 1.00 25.01 H new ATOM 0 HD3 PRO A 108 4.345 -2.574 12.715 1.00 25.01 H new ATOM 1735 N ALA A 109 4.797 -3.204 7.290 1.00 63.33 N ATOM 1736 CA ALA A 109 4.134 -3.083 6.000 1.00 31.44 C ATOM 1737 C ALA A 109 4.739 -4.118 5.066 1.00 62.32 C ATOM 1738 O ALA A 109 5.939 -4.061 4.784 1.00 14.54 O ATOM 1739 CB ALA A 109 4.299 -1.664 5.444 1.00 25.30 C ATOM 0 H ALA A 109 5.799 -3.379 7.216 1.00 63.33 H new ATOM 0 HA ALA A 109 3.064 -3.263 6.101 1.00 31.44 H new ATOM 0 HB1 ALA A 109 3.797 -1.591 4.479 1.00 25.30 H new ATOM 0 HB2 ALA A 109 3.858 -0.948 6.137 1.00 25.30 H new ATOM 0 HB3 ALA A 109 5.359 -1.443 5.320 1.00 25.30 H new ATOM 1745 N VAL A 110 3.944 -5.082 4.605 1.00 33.52 N ATOM 1746 CA VAL A 110 4.393 -6.028 3.595 1.00 2.02 C ATOM 1747 C VAL A 110 4.453 -5.294 2.262 1.00 73.21 C ATOM 1748 O VAL A 110 3.422 -4.902 1.707 1.00 34.33 O ATOM 1749 CB VAL A 110 3.491 -7.266 3.524 1.00 1.42 C ATOM 1750 CG1 VAL A 110 4.027 -8.202 2.431 1.00 41.34 C ATOM 1751 CG2 VAL A 110 3.527 -8.020 4.857 1.00 30.24 C ATOM 0 H VAL A 110 2.984 -5.226 4.918 1.00 33.52 H new ATOM 0 HA VAL A 110 5.382 -6.403 3.857 1.00 2.02 H new ATOM 0 HB VAL A 110 2.470 -6.953 3.306 1.00 1.42 H new ATOM 0 HG11 VAL A 110 3.395 -9.088 2.369 1.00 41.34 H new ATOM 0 HG12 VAL A 110 4.020 -7.683 1.472 1.00 41.34 H new ATOM 0 HG13 VAL A 110 5.047 -8.500 2.675 1.00 41.34 H new ATOM 0 HG21 VAL A 110 2.883 -8.897 4.796 1.00 30.24 H new ATOM 0 HG22 VAL A 110 4.549 -8.334 5.070 1.00 30.24 H new ATOM 0 HG23 VAL A 110 3.175 -7.366 5.655 1.00 30.24 H new ATOM 1761 N VAL A 111 5.653 -5.101 1.736 1.00 71.01 N ATOM 1762 CA VAL A 111 5.857 -4.457 0.444 1.00 42.13 C ATOM 1763 C VAL A 111 5.697 -5.489 -0.668 1.00 4.14 C ATOM 1764 O VAL A 111 6.102 -6.635 -0.482 1.00 64.04 O ATOM 1765 CB VAL A 111 7.234 -3.755 0.442 1.00 1.11 C ATOM 1766 CG1 VAL A 111 7.574 -3.079 -0.893 1.00 4.42 C ATOM 1767 CG2 VAL A 111 7.285 -2.686 1.545 1.00 65.14 C ATOM 0 H VAL A 111 6.518 -5.388 2.194 1.00 71.01 H new ATOM 0 HA VAL A 111 5.107 -3.687 0.263 1.00 42.13 H new ATOM 0 HB VAL A 111 7.968 -4.542 0.616 1.00 1.11 H new ATOM 0 HG11 VAL A 111 8.554 -2.607 -0.822 1.00 4.42 H new ATOM 0 HG12 VAL A 111 7.588 -3.826 -1.686 1.00 4.42 H new ATOM 0 HG13 VAL A 111 6.822 -2.323 -1.120 1.00 4.42 H new ATOM 0 HG21 VAL A 111 8.260 -2.198 1.534 1.00 65.14 H new ATOM 0 HG22 VAL A 111 6.506 -1.944 1.369 1.00 65.14 H new ATOM 0 HG23 VAL A 111 7.126 -3.156 2.515 1.00 65.14 H new ATOM 1777 N SER A 112 5.102 -5.102 -1.799 1.00 73.13 N ATOM 1778 CA SER A 112 5.146 -5.880 -3.034 1.00 2.53 C ATOM 1779 C SER A 112 6.117 -5.200 -4.004 1.00 13.41 C ATOM 1780 O SER A 112 6.420 -4.011 -3.852 1.00 0.14 O ATOM 1781 CB SER A 112 3.747 -6.042 -3.644 1.00 34.41 C ATOM 1782 OG SER A 112 3.696 -7.194 -4.470 1.00 35.23 O ATOM 0 H SER A 112 4.573 -4.234 -1.881 1.00 73.13 H new ATOM 0 HA SER A 112 5.502 -6.888 -2.820 1.00 2.53 H new ATOM 0 HB2 SER A 112 3.005 -6.123 -2.850 1.00 34.41 H new ATOM 0 HB3 SER A 112 3.494 -5.157 -4.228 1.00 34.41 H new ATOM 0 HG SER A 112 2.797 -7.284 -4.850 1.00 35.23 H new ATOM 1788 N VAL A 113 6.571 -5.931 -5.018 1.00 52.45 N ATOM 1789 CA VAL A 113 7.436 -5.456 -6.097 1.00 5.32 C ATOM 1790 C VAL A 113 6.822 -5.826 -7.452 1.00 13.15 C ATOM 1791 O VAL A 113 5.693 -6.318 -7.508 1.00 74.32 O ATOM 1792 CB VAL A 113 8.863 -6.021 -5.956 1.00 41.54 C ATOM 1793 CG1 VAL A 113 9.578 -5.596 -4.665 1.00 23.14 C ATOM 1794 CG2 VAL A 113 8.882 -7.544 -6.038 1.00 22.33 C ATOM 0 H VAL A 113 6.335 -6.919 -5.116 1.00 52.45 H new ATOM 0 HA VAL A 113 7.513 -4.371 -6.034 1.00 5.32 H new ATOM 0 HB VAL A 113 9.405 -5.591 -6.798 1.00 41.54 H new ATOM 0 HG11 VAL A 113 10.576 -6.034 -4.641 1.00 23.14 H new ATOM 0 HG12 VAL A 113 9.658 -4.509 -4.634 1.00 23.14 H new ATOM 0 HG13 VAL A 113 9.008 -5.942 -3.803 1.00 23.14 H new ATOM 0 HG21 VAL A 113 9.907 -7.901 -5.934 1.00 22.33 H new ATOM 0 HG22 VAL A 113 8.270 -7.959 -5.237 1.00 22.33 H new ATOM 0 HG23 VAL A 113 8.483 -7.862 -7.001 1.00 22.33 H new ATOM 1804 N SER A 114 7.556 -5.601 -8.545 1.00 41.41 N ATOM 1805 CA SER A 114 7.174 -6.033 -9.870 1.00 40.22 C ATOM 1806 C SER A 114 7.394 -7.545 -10.012 1.00 44.05 C ATOM 1807 O SER A 114 6.421 -8.286 -10.158 1.00 62.42 O ATOM 1808 CB SER A 114 7.914 -5.194 -10.925 1.00 12.14 C ATOM 1809 OG SER A 114 7.259 -5.229 -12.178 1.00 2.14 O ATOM 0 H SER A 114 8.446 -5.104 -8.522 1.00 41.41 H new ATOM 0 HA SER A 114 6.110 -5.865 -10.036 1.00 40.22 H new ATOM 0 HB2 SER A 114 7.988 -4.162 -10.582 1.00 12.14 H new ATOM 0 HB3 SER A 114 8.932 -5.566 -11.037 1.00 12.14 H new ATOM 0 HG SER A 114 7.757 -4.684 -12.823 1.00 2.14 H new ATOM 1815 N SER A 115 8.646 -8.015 -9.971 1.00 14.31 N ATOM 1816 CA SER A 115 9.035 -9.395 -10.269 1.00 45.11 C ATOM 1817 C SER A 115 9.626 -10.077 -9.029 1.00 21.02 C ATOM 1818 O SER A 115 10.162 -9.388 -8.164 1.00 0.50 O ATOM 1819 CB SER A 115 10.035 -9.398 -11.438 1.00 42.11 C ATOM 1820 OG SER A 115 10.912 -8.284 -11.430 1.00 24.04 O ATOM 0 H SER A 115 9.440 -7.426 -9.721 1.00 14.31 H new ATOM 0 HA SER A 115 8.151 -9.964 -10.558 1.00 45.11 H new ATOM 0 HB2 SER A 115 10.623 -10.315 -11.401 1.00 42.11 H new ATOM 0 HB3 SER A 115 9.484 -9.411 -12.378 1.00 42.11 H new ATOM 0 HG SER A 115 11.523 -8.343 -12.194 1.00 24.04 H new ATOM 1826 N PRO A 116 9.606 -11.416 -8.933 1.00 74.24 N ATOM 1827 CA PRO A 116 10.011 -12.124 -7.724 1.00 44.34 C ATOM 1828 C PRO A 116 11.493 -11.967 -7.385 1.00 64.30 C ATOM 1829 O PRO A 116 11.852 -11.991 -6.212 1.00 34.25 O ATOM 1830 CB PRO A 116 9.636 -13.585 -7.952 1.00 25.51 C ATOM 1831 CG PRO A 116 9.613 -13.716 -9.468 1.00 11.32 C ATOM 1832 CD PRO A 116 9.099 -12.355 -9.918 1.00 53.55 C ATOM 0 HA PRO A 116 9.501 -11.701 -6.859 1.00 44.34 H new ATOM 0 HB2 PRO A 116 10.364 -14.261 -7.502 1.00 25.51 H new ATOM 0 HB3 PRO A 116 8.667 -13.823 -7.514 1.00 25.51 H new ATOM 0 HG2 PRO A 116 10.604 -13.927 -9.871 1.00 11.32 H new ATOM 0 HG3 PRO A 116 8.958 -14.524 -9.794 1.00 11.32 H new ATOM 0 HD2 PRO A 116 9.457 -12.109 -10.918 1.00 53.55 H new ATOM 0 HD3 PRO A 116 8.010 -12.337 -9.956 1.00 53.55 H new ATOM 1840 N ASP A 117 12.366 -11.755 -8.371 1.00 1.33 N ATOM 1841 CA ASP A 117 13.775 -11.496 -8.065 1.00 53.11 C ATOM 1842 C ASP A 117 13.951 -10.124 -7.408 1.00 32.23 C ATOM 1843 O ASP A 117 14.855 -9.911 -6.600 1.00 1.21 O ATOM 1844 CB ASP A 117 14.634 -11.581 -9.335 1.00 72.44 C ATOM 1845 CG ASP A 117 15.874 -12.444 -9.118 1.00 11.44 C ATOM 1846 OD1 ASP A 117 16.480 -12.397 -8.022 1.00 11.40 O ATOM 1847 OD2 ASP A 117 16.192 -13.254 -10.016 1.00 70.35 O ATOM 0 H ASP A 117 12.132 -11.757 -9.364 1.00 1.33 H new ATOM 0 HA ASP A 117 14.107 -12.262 -7.364 1.00 53.11 H new ATOM 0 HB2 ASP A 117 14.040 -11.995 -10.150 1.00 72.44 H new ATOM 0 HB3 ASP A 117 14.936 -10.579 -9.638 1.00 72.44 H new ATOM 1852 N ALA A 118 13.060 -9.182 -7.731 1.00 32.34 N ATOM 1853 CA ALA A 118 13.148 -7.801 -7.285 1.00 61.40 C ATOM 1854 C ALA A 118 12.825 -7.674 -5.795 1.00 4.32 C ATOM 1855 O ALA A 118 13.122 -6.642 -5.200 1.00 14.43 O ATOM 1856 CB ALA A 118 12.212 -6.931 -8.130 1.00 23.42 C ATOM 0 H ALA A 118 12.247 -9.367 -8.319 1.00 32.34 H new ATOM 0 HA ALA A 118 14.173 -7.454 -7.419 1.00 61.40 H new ATOM 0 HB1 ALA A 118 12.278 -5.895 -7.796 1.00 23.42 H new ATOM 0 HB2 ALA A 118 12.505 -6.993 -9.178 1.00 23.42 H new ATOM 0 HB3 ALA A 118 11.187 -7.284 -8.018 1.00 23.42 H new ATOM 1862 N VAL A 119 12.241 -8.713 -5.191 1.00 24.04 N ATOM 1863 CA VAL A 119 11.916 -8.807 -3.773 1.00 42.33 C ATOM 1864 C VAL A 119 13.213 -8.578 -2.995 1.00 1.31 C ATOM 1865 O VAL A 119 13.291 -7.676 -2.162 1.00 72.42 O ATOM 1866 CB VAL A 119 11.270 -10.189 -3.505 1.00 15.23 C ATOM 1867 CG1 VAL A 119 10.740 -10.365 -2.072 1.00 61.15 C ATOM 1868 CG2 VAL A 119 10.026 -10.411 -4.379 1.00 23.20 C ATOM 0 H VAL A 119 11.971 -9.550 -5.707 1.00 24.04 H new ATOM 0 HA VAL A 119 11.193 -8.057 -3.451 1.00 42.33 H new ATOM 0 HB VAL A 119 12.081 -10.886 -3.714 1.00 15.23 H new ATOM 0 HG11 VAL A 119 10.303 -11.358 -1.965 1.00 61.15 H new ATOM 0 HG12 VAL A 119 11.561 -10.251 -1.364 1.00 61.15 H new ATOM 0 HG13 VAL A 119 9.980 -9.611 -1.870 1.00 61.15 H new ATOM 0 HG21 VAL A 119 9.600 -11.391 -4.163 1.00 23.20 H new ATOM 0 HG22 VAL A 119 9.287 -9.639 -4.164 1.00 23.20 H new ATOM 0 HG23 VAL A 119 10.307 -10.361 -5.431 1.00 23.20 H new ATOM 1878 N THR A 120 14.253 -9.340 -3.328 1.00 20.02 N ATOM 1879 CA THR A 120 15.562 -9.274 -2.702 1.00 12.43 C ATOM 1880 C THR A 120 16.300 -7.988 -3.084 1.00 14.34 C ATOM 1881 O THR A 120 17.027 -7.443 -2.254 1.00 23.23 O ATOM 1882 CB THR A 120 16.338 -10.521 -3.141 1.00 71.41 C ATOM 1883 OG1 THR A 120 15.526 -11.677 -3.027 1.00 53.13 O ATOM 1884 CG2 THR A 120 17.602 -10.778 -2.321 1.00 12.24 C ATOM 0 H THR A 120 14.201 -10.042 -4.066 1.00 20.02 H new ATOM 0 HA THR A 120 15.464 -9.253 -1.617 1.00 12.43 H new ATOM 0 HB THR A 120 16.626 -10.326 -4.174 1.00 71.41 H new ATOM 0 HG1 THR A 120 16.035 -12.464 -3.313 1.00 53.13 H new ATOM 0 HG21 THR A 120 18.098 -11.676 -2.689 1.00 12.24 H new ATOM 0 HG22 THR A 120 18.276 -9.927 -2.415 1.00 12.24 H new ATOM 0 HG23 THR A 120 17.334 -10.915 -1.273 1.00 12.24 H new ATOM 1892 N THR A 121 16.122 -7.476 -4.304 1.00 41.15 N ATOM 1893 CA THR A 121 16.719 -6.214 -4.727 1.00 1.40 C ATOM 1894 C THR A 121 16.215 -5.098 -3.801 1.00 34.52 C ATOM 1895 O THR A 121 17.014 -4.361 -3.224 1.00 63.51 O ATOM 1896 CB THR A 121 16.377 -5.970 -6.209 1.00 22.30 C ATOM 1897 OG1 THR A 121 16.626 -7.139 -6.972 1.00 3.22 O ATOM 1898 CG2 THR A 121 17.144 -4.799 -6.819 1.00 51.43 C ATOM 0 H THR A 121 15.559 -7.928 -5.025 1.00 41.15 H new ATOM 0 HA THR A 121 17.806 -6.237 -4.649 1.00 1.40 H new ATOM 0 HB THR A 121 15.317 -5.716 -6.238 1.00 22.30 H new ATOM 0 HG1 THR A 121 16.403 -6.970 -7.911 1.00 3.22 H new ATOM 0 HG21 THR A 121 16.857 -4.681 -7.864 1.00 51.43 H new ATOM 0 HG22 THR A 121 16.909 -3.886 -6.273 1.00 51.43 H new ATOM 0 HG23 THR A 121 18.215 -4.993 -6.756 1.00 51.43 H new ATOM 1906 N TYR A 122 14.893 -5.020 -3.619 1.00 44.13 N ATOM 1907 CA TYR A 122 14.226 -4.026 -2.798 1.00 43.42 C ATOM 1908 C TYR A 122 14.608 -4.184 -1.326 1.00 40.33 C ATOM 1909 O TYR A 122 14.978 -3.200 -0.687 1.00 42.33 O ATOM 1910 CB TYR A 122 12.710 -4.142 -3.005 1.00 50.54 C ATOM 1911 CG TYR A 122 11.958 -2.870 -2.669 1.00 44.55 C ATOM 1912 CD1 TYR A 122 11.776 -2.448 -1.337 1.00 12.34 C ATOM 1913 CD2 TYR A 122 11.500 -2.064 -3.725 1.00 24.32 C ATOM 1914 CE1 TYR A 122 11.182 -1.200 -1.063 1.00 60.13 C ATOM 1915 CE2 TYR A 122 10.915 -0.819 -3.464 1.00 11.23 C ATOM 1916 CZ TYR A 122 10.778 -0.369 -2.134 1.00 33.21 C ATOM 1917 OH TYR A 122 10.293 0.880 -1.913 1.00 1.12 O ATOM 0 H TYR A 122 14.243 -5.673 -4.057 1.00 44.13 H new ATOM 0 HA TYR A 122 14.547 -3.029 -3.101 1.00 43.42 H new ATOM 0 HB2 TYR A 122 12.512 -4.409 -4.043 1.00 50.54 H new ATOM 0 HB3 TYR A 122 12.328 -4.955 -2.388 1.00 50.54 H new ATOM 0 HD1 TYR A 122 12.093 -3.083 -0.523 1.00 12.34 H new ATOM 0 HD2 TYR A 122 11.600 -2.407 -4.744 1.00 24.32 H new ATOM 0 HE1 TYR A 122 11.036 -0.880 -0.042 1.00 60.13 H new ATOM 0 HE2 TYR A 122 10.569 -0.203 -4.281 1.00 11.23 H new ATOM 0 HH TYR A 122 10.069 1.300 -2.770 1.00 1.12 H new ATOM 1927 N ASN A 123 14.528 -5.409 -0.788 1.00 61.04 N ATOM 1928 CA ASN A 123 14.874 -5.690 0.608 1.00 62.31 C ATOM 1929 C ASN A 123 16.321 -5.276 0.875 1.00 73.11 C ATOM 1930 O ASN A 123 16.611 -4.654 1.891 1.00 15.01 O ATOM 1931 CB ASN A 123 14.682 -7.178 0.953 1.00 15.30 C ATOM 1932 CG ASN A 123 14.029 -7.394 2.314 1.00 14.42 C ATOM 1933 OD1 ASN A 123 14.329 -6.739 3.308 1.00 5.41 O ATOM 1934 ND2 ASN A 123 13.090 -8.319 2.397 1.00 22.34 N ATOM 0 H ASN A 123 14.222 -6.230 -1.309 1.00 61.04 H new ATOM 0 HA ASN A 123 14.202 -5.112 1.243 1.00 62.31 H new ATOM 0 HB2 ASN A 123 14.069 -7.648 0.183 1.00 15.30 H new ATOM 0 HB3 ASN A 123 15.651 -7.677 0.938 1.00 15.30 H new ATOM 0 HD21 ASN A 123 12.617 -8.487 3.285 1.00 22.34 H new ATOM 0 HD22 ASN A 123 12.838 -8.865 1.573 1.00 22.34 H new ATOM 1941 N GLY A 124 17.221 -5.560 -0.072 1.00 30.41 N ATOM 1942 CA GLY A 124 18.618 -5.170 -0.021 1.00 42.05 C ATOM 1943 C GLY A 124 18.777 -3.686 0.285 1.00 5.43 C ATOM 1944 O GLY A 124 19.471 -3.335 1.242 1.00 12.24 O ATOM 0 H GLY A 124 16.983 -6.082 -0.915 1.00 30.41 H new ATOM 0 HA2 GLY A 124 19.132 -5.756 0.741 1.00 42.05 H new ATOM 0 HA3 GLY A 124 19.095 -5.398 -0.974 1.00 42.05 H new ATOM 1948 N TYR A 125 18.088 -2.811 -0.457 1.00 24.45 N ATOM 1949 CA TYR A 125 18.176 -1.361 -0.286 1.00 54.50 C ATOM 1950 C TYR A 125 17.772 -0.887 1.113 1.00 24.33 C ATOM 1951 O TYR A 125 18.221 0.180 1.534 1.00 20.55 O ATOM 1952 CB TYR A 125 17.375 -0.640 -1.377 1.00 51.45 C ATOM 1953 CG TYR A 125 17.841 -0.925 -2.798 1.00 44.11 C ATOM 1954 CD1 TYR A 125 19.211 -0.884 -3.136 1.00 61.11 C ATOM 1955 CD2 TYR A 125 16.894 -1.186 -3.804 1.00 75.50 C ATOM 1956 CE1 TYR A 125 19.634 -1.171 -4.446 1.00 1.15 C ATOM 1957 CE2 TYR A 125 17.308 -1.442 -5.121 1.00 1.21 C ATOM 1958 CZ TYR A 125 18.679 -1.464 -5.442 1.00 31.41 C ATOM 1959 OH TYR A 125 19.060 -1.752 -6.712 1.00 42.42 O ATOM 0 H TYR A 125 17.449 -3.095 -1.199 1.00 24.45 H new ATOM 0 HA TYR A 125 19.228 -1.098 -0.392 1.00 54.50 H new ATOM 0 HB2 TYR A 125 16.327 -0.925 -1.288 1.00 51.45 H new ATOM 0 HB3 TYR A 125 17.429 0.434 -1.199 1.00 51.45 H new ATOM 0 HD1 TYR A 125 19.941 -0.630 -2.382 1.00 61.11 H new ATOM 0 HD2 TYR A 125 15.841 -1.190 -3.562 1.00 75.50 H new ATOM 0 HE1 TYR A 125 20.686 -1.167 -4.689 1.00 1.15 H new ATOM 0 HE2 TYR A 125 16.572 -1.623 -5.891 1.00 1.21 H new ATOM 0 HH TYR A 125 18.267 -1.929 -7.259 1.00 42.42 H new ATOM 1969 N LEU A 126 17.016 -1.682 1.878 1.00 62.11 N ATOM 1970 CA LEU A 126 16.641 -1.375 3.264 1.00 45.42 C ATOM 1971 C LEU A 126 17.827 -1.497 4.225 1.00 45.15 C ATOM 1972 O LEU A 126 17.695 -1.188 5.411 1.00 32.13 O ATOM 1973 CB LEU A 126 15.493 -2.280 3.732 1.00 30.52 C ATOM 1974 CG LEU A 126 14.242 -2.244 2.836 1.00 13.42 C ATOM 1975 CD1 LEU A 126 13.028 -2.575 3.682 1.00 63.33 C ATOM 1976 CD2 LEU A 126 13.960 -0.878 2.215 1.00 4.34 C ATOM 0 H LEU A 126 16.641 -2.571 1.547 1.00 62.11 H new ATOM 0 HA LEU A 126 16.308 -0.337 3.278 1.00 45.42 H new ATOM 0 HB2 LEU A 126 15.856 -3.306 3.786 1.00 30.52 H new ATOM 0 HB3 LEU A 126 15.208 -1.989 4.743 1.00 30.52 H new ATOM 0 HG LEU A 126 14.431 -2.958 2.034 1.00 13.42 H new ATOM 0 HD11 LEU A 126 12.134 -2.553 3.059 1.00 63.33 H new ATOM 0 HD12 LEU A 126 13.145 -3.569 4.114 1.00 63.33 H new ATOM 0 HD13 LEU A 126 12.931 -1.841 4.482 1.00 63.33 H new ATOM 0 HD21 LEU A 126 13.063 -0.937 1.599 1.00 4.34 H new ATOM 0 HD22 LEU A 126 13.809 -0.143 3.006 1.00 4.34 H new ATOM 0 HD23 LEU A 126 14.806 -0.578 1.597 1.00 4.34 H new ATOM 1988 N THR A 127 18.960 -1.998 3.730 1.00 52.10 N ATOM 1989 CA THR A 127 20.078 -2.503 4.515 1.00 54.04 C ATOM 1990 C THR A 127 21.415 -2.099 3.880 1.00 12.14 C ATOM 1991 O THR A 127 22.465 -2.597 4.297 1.00 53.11 O ATOM 1992 CB THR A 127 19.939 -4.038 4.636 1.00 71.53 C ATOM 1993 OG1 THR A 127 20.219 -4.717 3.421 1.00 43.43 O ATOM 1994 CG2 THR A 127 18.528 -4.472 5.039 1.00 74.43 C ATOM 0 H THR A 127 19.127 -2.064 2.726 1.00 52.10 H new ATOM 0 HA THR A 127 20.062 -2.066 5.513 1.00 54.04 H new ATOM 0 HB THR A 127 20.666 -4.302 5.404 1.00 71.53 H new ATOM 0 HG1 THR A 127 19.840 -4.214 2.670 1.00 43.43 H new ATOM 0 HG21 THR A 127 18.488 -5.559 5.109 1.00 74.43 H new ATOM 0 HG22 THR A 127 18.276 -4.036 6.006 1.00 74.43 H new ATOM 0 HG23 THR A 127 17.814 -4.130 4.290 1.00 74.43 H new ATOM 2002 N SER A 128 21.387 -1.296 2.813 1.00 20.42 N ATOM 2003 CA SER A 128 22.516 -1.161 1.911 1.00 43.40 C ATOM 2004 C SER A 128 23.304 0.084 2.352 1.00 62.41 C ATOM 2005 O SER A 128 24.181 -0.021 3.212 1.00 73.50 O ATOM 2006 CB SER A 128 21.980 -1.149 0.466 1.00 64.25 C ATOM 2007 OG SER A 128 22.861 -1.726 -0.473 1.00 52.14 O ATOM 0 H SER A 128 20.580 -0.726 2.557 1.00 20.42 H new ATOM 0 HA SER A 128 23.220 -1.992 1.945 1.00 43.40 H new ATOM 0 HB2 SER A 128 21.031 -1.684 0.436 1.00 64.25 H new ATOM 0 HB3 SER A 128 21.775 -0.119 0.173 1.00 64.25 H new ATOM 0 HG SER A 128 22.459 -1.687 -1.366 1.00 52.14 H new ATOM 2013 N SER A 129 22.932 1.281 1.879 1.00 23.11 N ATOM 2014 CA SER A 129 23.312 2.540 2.509 1.00 23.34 C ATOM 2015 C SER A 129 22.588 2.646 3.835 1.00 71.14 C ATOM 2016 O SER A 129 23.206 3.076 4.834 1.00 75.21 O ATOM 2017 CB SER A 129 22.952 3.721 1.628 1.00 53.10 C ATOM 2018 OG SER A 129 23.691 3.731 0.419 1.00 41.25 O ATOM 0 H SER A 129 22.357 1.397 1.045 1.00 23.11 H new ATOM 0 HA SER A 129 24.391 2.556 2.661 1.00 23.34 H new ATOM 0 HB2 SER A 129 21.886 3.691 1.400 1.00 53.10 H new ATOM 0 HB3 SER A 129 23.136 4.647 2.172 1.00 53.10 H new ATOM 0 HG SER A 129 23.427 4.506 -0.119 1.00 41.25 H new TER 2024 SER A 129