USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1077 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: B 97 ASN : amide:sc= 0.918 K(o=2,f=-0.89) USER MOD Set 1.2: B 104 TYR OH : rot 180:sc= 1.07 USER MOD Set 2.1: A 7 THR OG1 : rot 80:sc= 1.24 USER MOD Set 2.2: A 73 ASN : amide:sc= 1.03 K(o=2.3,f=-0.85) USER MOD Set 3.1: A 9 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 4.1: A 54 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 25 GLN : amide:sc= 0.698 K(o=1.8,f=-6.9!) USER MOD Set 5.2: A 28 LYS NZ :NH3+ 163:sc= 1.06 (180deg=0) USER MOD Set 6.1: A 18 CYS SG : rot 142:sc= 2.14 USER MOD Set 6.2: A 21 THR OG1 : rot 70:sc= 1.55 USER MOD Set 6.3: B 133 LYS NZ :NH3+ 159:sc= 2.18 (180deg=-0.0473) USER MOD Set 7.1: A 4 ASN : amide:sc= 0.225 X(o=0.23,f=0.32) USER MOD Set 7.2: A 48 TYR OH : rot 180:sc= 0.00328 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -164:sc= -0.111 (180deg=-0.533) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.0728 X(o=0.073,f=0) USER MOD Single : A 17 SER OG : rot -159:sc= 0.733 USER MOD Single : A 24 GLN : amide:sc= -0.0376 X(o=-0.038,f=-0.038) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 33 HIS : no HD1:sc=-0.000861 X(o=-0.00086,f=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0.377 K(o=0.38,f=-0.56) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.99 K(o=-2,f=-8.4!) USER MOD Single : A 56 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0159) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 76 LYS NZ :NH3+ 172:sc= 1.24 (180deg=1.17) USER MOD Single : B 77 HIS : no HD1:sc= -0.26 X(o=-0.26,f=-0.018) USER MOD Single : B 80 SER OG : rot 25:sc= 0.406 USER MOD Single : B 83 MET CE :methyl -164:sc= -0.253 (180deg=-0.759) USER MOD Single : B 84 THR OG1 : rot -46:sc= 0.0972 USER MOD Single : B 88 CYS SG : rot -92:sc= -0.529 USER MOD Single : B 93 SER OG : rot 64:sc= 1.21 USER MOD Single : B 98 LYS NZ :NH3+ -122:sc= 0.624 (180deg=-0.0723) USER MOD Single : B 103 LYS NZ :NH3+ -155:sc= 1.21 (180deg=0.802) USER MOD Single : B 110 ASN : amide:sc= -0.978 K(o=-0.98,f=-2.8!) USER MOD Single : B 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 112 LYS NZ :NH3+ 158:sc= 1.26 (180deg=1.16) USER MOD Single : B 114 CYS SG : rot 180:sc= -0.104 USER MOD Single : B 117 SER OG : rot 89:sc= 1.45 USER MOD Single : B 119 HIS : no HD1:sc= -0.636 K(o=-0.64,f=-0.094) USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 123 THR OG1 : rot 180:sc= 0 USER MOD Single : B 127 THR OG1 : rot 77:sc= 1.13 USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 130 LYS NZ :NH3+ 148:sc= 1.05 (180deg=0.461) USER MOD Single : B 131 THR OG1 : rot -74:sc= 1.29 USER MOD Single : B 134 THR OG1 : rot 180:sc= 0 USER MOD Single : B 136 SER OG : rot 180:sc= 0 USER MOD Single : B 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -9.597 -7.079 26.685 1.00 0.00 N ATOM 21 CA GLY A 2 -8.134 -7.193 26.606 1.00 0.00 C ATOM 22 C GLY A 2 -7.713 -7.792 25.261 1.00 0.00 C ATOM 23 O GLY A 2 -8.517 -7.810 24.329 1.00 0.00 O ATOM 0 HA2 GLY A 2 -7.680 -6.210 26.731 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -7.768 -7.819 27.420 1.00 0.00 H new ATOM 27 N VAL A 3 -6.485 -8.303 25.143 1.00 0.00 N ATOM 28 CA VAL A 3 -5.958 -8.802 23.853 1.00 0.00 C ATOM 29 C VAL A 3 -6.836 -9.896 23.220 1.00 0.00 C ATOM 30 O VAL A 3 -7.243 -10.848 23.887 1.00 0.00 O ATOM 31 CB VAL A 3 -4.509 -9.345 23.932 1.00 0.00 C ATOM 32 CG1 VAL A 3 -3.469 -8.217 23.905 1.00 0.00 C ATOM 33 CG2 VAL A 3 -4.224 -10.287 25.113 1.00 0.00 C ATOM 0 H VAL A 3 -5.830 -8.386 25.921 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.969 -7.912 23.224 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.416 -9.953 23.032 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.468 -8.644 23.962 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.570 -7.651 22.979 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.630 -7.553 24.755 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.184 -10.611 25.077 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.409 -9.762 26.050 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.877 -11.157 25.050 1.00 0.00 H new ATOM 43 N ASN A 4 -7.087 -9.770 21.910 1.00 0.00 N ATOM 44 CA ASN A 4 -7.705 -10.796 21.062 1.00 0.00 C ATOM 45 C ASN A 4 -6.838 -11.061 19.816 1.00 0.00 C ATOM 46 O ASN A 4 -6.298 -10.127 19.223 1.00 0.00 O ATOM 47 CB ASN A 4 -9.123 -10.349 20.663 1.00 0.00 C ATOM 48 CG ASN A 4 -9.812 -11.405 19.803 1.00 0.00 C ATOM 49 OD1 ASN A 4 -10.178 -12.479 20.274 1.00 0.00 O ATOM 50 ND2 ASN A 4 -9.930 -11.178 18.511 1.00 0.00 N ATOM 0 H ASN A 4 -6.857 -8.921 21.394 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.776 -11.729 21.621 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -9.715 -10.163 21.559 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.070 -9.408 20.116 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.325 -11.894 17.901 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -9.626 -10.286 18.120 1.00 0.00 H new ATOM 57 N SER A 5 -6.695 -12.324 19.404 1.00 0.00 N ATOM 58 CA SER A 5 -5.908 -12.714 18.225 1.00 0.00 C ATOM 59 C SER A 5 -6.783 -13.086 17.012 1.00 0.00 C ATOM 60 O SER A 5 -7.871 -13.653 17.169 1.00 0.00 O ATOM 61 CB SER A 5 -4.965 -13.868 18.595 1.00 0.00 C ATOM 62 OG SER A 5 -5.657 -15.087 18.818 1.00 0.00 O ATOM 0 H SER A 5 -7.126 -13.115 19.883 1.00 0.00 H new ATOM 0 HA SER A 5 -5.324 -11.846 17.920 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.237 -14.008 17.796 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.406 -13.602 19.492 1.00 0.00 H new ATOM 0 HG SER A 5 -5.015 -15.790 19.048 1.00 0.00 H new ATOM 68 N VAL A 6 -6.298 -12.808 15.795 1.00 0.00 N ATOM 69 CA VAL A 6 -6.961 -13.190 14.531 1.00 0.00 C ATOM 70 C VAL A 6 -5.933 -13.353 13.395 1.00 0.00 C ATOM 71 O VAL A 6 -4.791 -12.904 13.524 1.00 0.00 O ATOM 72 CB VAL A 6 -8.111 -12.203 14.183 1.00 0.00 C ATOM 73 CG1 VAL A 6 -7.607 -10.882 13.580 1.00 0.00 C ATOM 74 CG2 VAL A 6 -9.166 -12.826 13.253 1.00 0.00 C ATOM 0 H VAL A 6 -5.422 -12.305 15.653 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.428 -14.166 14.662 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.583 -11.980 15.140 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.456 -10.236 13.359 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.949 -10.385 14.292 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.058 -11.088 12.661 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.945 -12.093 13.043 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.693 -13.131 12.319 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.608 -13.697 13.737 1.00 0.00 H new ATOM 84 N THR A 7 -6.339 -13.992 12.290 1.00 0.00 N ATOM 85 CA THR A 7 -5.514 -14.276 11.108 1.00 0.00 C ATOM 86 C THR A 7 -6.297 -13.956 9.837 1.00 0.00 C ATOM 87 O THR A 7 -7.509 -14.167 9.754 1.00 0.00 O ATOM 88 CB THR A 7 -5.048 -15.739 11.099 1.00 0.00 C ATOM 89 OG1 THR A 7 -4.427 -16.047 12.324 1.00 0.00 O ATOM 90 CG2 THR A 7 -4.034 -16.022 9.986 1.00 0.00 C ATOM 0 H THR A 7 -7.293 -14.340 12.191 1.00 0.00 H new ATOM 0 HA THR A 7 -4.627 -13.643 11.147 1.00 0.00 H new ATOM 0 HB THR A 7 -5.936 -16.349 10.933 1.00 0.00 H new ATOM 0 HG1 THR A 7 -5.112 -16.229 13.001 1.00 0.00 H new ATOM 0 HG21 THR A 7 -3.736 -17.070 10.023 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.487 -15.807 9.018 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.156 -15.390 10.124 1.00 0.00 H new ATOM 98 N ILE A 8 -5.604 -13.426 8.832 1.00 0.00 N ATOM 99 CA ILE A 8 -6.156 -13.023 7.536 1.00 0.00 C ATOM 100 C ILE A 8 -5.310 -13.614 6.401 1.00 0.00 C ATOM 101 O ILE A 8 -4.111 -13.354 6.291 1.00 0.00 O ATOM 102 CB ILE A 8 -6.241 -11.473 7.473 1.00 0.00 C ATOM 103 CG1 ILE A 8 -7.108 -10.933 8.641 1.00 0.00 C ATOM 104 CG2 ILE A 8 -6.783 -10.983 6.118 1.00 0.00 C ATOM 105 CD1 ILE A 8 -7.454 -9.440 8.577 1.00 0.00 C ATOM 0 H ILE A 8 -4.600 -13.258 8.899 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.167 -13.413 7.416 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.229 -11.081 7.576 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.037 -11.502 8.672 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.584 -11.126 9.577 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.826 -9.894 6.116 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.124 -11.321 5.319 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.783 -11.386 5.959 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.062 -9.170 9.441 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.535 -8.853 8.582 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.011 -9.234 7.663 1.00 0.00 H new ATOM 117 N SER A 9 -5.944 -14.346 5.491 1.00 0.00 N ATOM 118 CA SER A 9 -5.403 -14.673 4.168 1.00 0.00 C ATOM 119 C SER A 9 -5.219 -13.375 3.361 1.00 0.00 C ATOM 120 O SER A 9 -6.086 -13.018 2.562 1.00 0.00 O ATOM 121 CB SER A 9 -6.352 -15.620 3.406 1.00 0.00 C ATOM 122 OG SER A 9 -6.641 -16.817 4.102 1.00 0.00 O ATOM 0 H SER A 9 -6.871 -14.740 5.653 1.00 0.00 H new ATOM 0 HA SER A 9 -4.444 -15.174 4.297 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.285 -15.096 3.200 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.906 -15.869 2.443 1.00 0.00 H new ATOM 0 HG SER A 9 -7.247 -17.369 3.565 1.00 0.00 H new ATOM 128 N VAL A 10 -4.139 -12.628 3.614 1.00 0.00 N ATOM 129 CA VAL A 10 -3.650 -11.551 2.734 1.00 0.00 C ATOM 130 C VAL A 10 -2.874 -12.222 1.599 1.00 0.00 C ATOM 131 O VAL A 10 -1.711 -12.593 1.758 1.00 0.00 O ATOM 132 CB VAL A 10 -2.792 -10.486 3.453 1.00 0.00 C ATOM 133 CG1 VAL A 10 -2.425 -9.343 2.487 1.00 0.00 C ATOM 134 CG2 VAL A 10 -3.564 -9.861 4.623 1.00 0.00 C ATOM 0 H VAL A 10 -3.567 -12.754 4.449 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.506 -10.989 2.359 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.895 -10.989 3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.821 -8.603 3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.858 -9.744 1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.336 -8.872 2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.939 -9.114 5.114 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.471 -9.386 4.248 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.831 -10.638 5.339 1.00 0.00 H new ATOM 144 N GLU A 11 -3.571 -12.450 0.485 1.00 0.00 N ATOM 145 CA GLU A 11 -3.191 -13.473 -0.500 1.00 0.00 C ATOM 146 C GLU A 11 -1.914 -13.118 -1.286 1.00 0.00 C ATOM 147 O GLU A 11 -1.056 -13.978 -1.483 1.00 0.00 O ATOM 148 CB GLU A 11 -4.357 -13.767 -1.472 1.00 0.00 C ATOM 149 CG GLU A 11 -5.636 -14.284 -0.784 1.00 0.00 C ATOM 150 CD GLU A 11 -6.435 -15.247 -1.675 1.00 0.00 C ATOM 151 OE1 GLU A 11 -7.289 -14.808 -2.484 1.00 0.00 O ATOM 152 OE2 GLU A 11 -6.215 -16.480 -1.591 1.00 0.00 O ATOM 0 H GLU A 11 -4.415 -11.933 0.237 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.966 -14.373 0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.596 -12.856 -2.022 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.028 -14.504 -2.204 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.367 -14.791 0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.267 -13.437 -0.513 1.00 0.00 H new ATOM 159 N GLY A 12 -1.765 -11.865 -1.732 1.00 0.00 N ATOM 160 CA GLY A 12 -0.776 -11.477 -2.756 1.00 0.00 C ATOM 161 C GLY A 12 0.649 -11.182 -2.272 1.00 0.00 C ATOM 162 O GLY A 12 1.487 -10.817 -3.096 1.00 0.00 O ATOM 0 H GLY A 12 -2.328 -11.085 -1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.724 -12.276 -3.496 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.150 -10.591 -3.269 1.00 0.00 H new ATOM 166 N MET A 13 0.933 -11.302 -0.970 1.00 0.00 N ATOM 167 CA MET A 13 2.186 -10.846 -0.332 1.00 0.00 C ATOM 168 C MET A 13 3.459 -11.533 -0.851 1.00 0.00 C ATOM 169 O MET A 13 3.469 -12.754 -1.030 1.00 0.00 O ATOM 170 CB MET A 13 2.114 -10.992 1.187 1.00 0.00 C ATOM 171 CG MET A 13 1.023 -10.091 1.773 1.00 0.00 C ATOM 172 SD MET A 13 1.137 -9.816 3.555 1.00 0.00 S ATOM 173 CE MET A 13 1.219 -11.543 4.064 1.00 0.00 C ATOM 0 H MET A 13 0.285 -11.729 -0.309 1.00 0.00 H new ATOM 0 HA MET A 13 2.268 -9.795 -0.610 1.00 0.00 H new ATOM 0 HB2 MET A 13 1.911 -12.031 1.447 1.00 0.00 H new ATOM 0 HB3 MET A 13 3.078 -10.736 1.627 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.060 -9.126 1.268 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.051 -10.530 1.550 1.00 0.00 H new ATOM 0 HE1 MET A 13 1.010 -11.618 5.131 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.481 -12.122 3.508 1.00 0.00 H new ATOM 0 HE3 MET A 13 2.216 -11.935 3.861 1.00 0.00 H new ATOM 183 N THR A 14 4.542 -10.761 -1.038 1.00 0.00 N ATOM 184 CA THR A 14 5.900 -11.242 -1.371 1.00 0.00 C ATOM 185 C THR A 14 6.994 -10.173 -1.249 1.00 0.00 C ATOM 186 O THR A 14 8.077 -10.502 -0.762 1.00 0.00 O ATOM 187 CB THR A 14 5.939 -12.027 -2.691 1.00 0.00 C ATOM 188 OG1 THR A 14 7.269 -12.278 -3.078 1.00 0.00 O ATOM 189 CG2 THR A 14 5.244 -11.279 -3.813 1.00 0.00 C ATOM 0 H THR A 14 4.498 -9.745 -0.959 1.00 0.00 H new ATOM 0 HA THR A 14 6.153 -11.960 -0.591 1.00 0.00 H new ATOM 0 HB THR A 14 5.414 -12.966 -2.514 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.276 -12.780 -3.920 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.294 -11.868 -4.729 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.201 -11.111 -3.546 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.737 -10.320 -3.971 1.00 0.00 H new ATOM 197 N CYS A 15 6.752 -8.911 -1.631 1.00 0.00 N ATOM 198 CA CYS A 15 7.785 -7.879 -1.626 1.00 0.00 C ATOM 199 C CYS A 15 8.250 -7.509 -0.195 1.00 0.00 C ATOM 200 O CYS A 15 7.431 -7.255 0.697 1.00 0.00 O ATOM 201 CB CYS A 15 7.314 -6.620 -2.388 1.00 0.00 C ATOM 202 SG CYS A 15 5.884 -6.788 -3.484 1.00 0.00 S ATOM 0 H CYS A 15 5.840 -8.584 -1.949 1.00 0.00 H new ATOM 0 HA CYS A 15 8.648 -8.299 -2.143 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.085 -5.849 -1.653 1.00 0.00 H new ATOM 0 HB3 CYS A 15 8.151 -6.255 -2.982 1.00 0.00 H new ATOM 207 N ASN A 16 9.566 -7.360 -0.012 1.00 0.00 N ATOM 208 CA ASN A 16 10.185 -7.005 1.267 1.00 0.00 C ATOM 209 C ASN A 16 9.710 -5.632 1.790 1.00 0.00 C ATOM 210 O ASN A 16 9.529 -5.475 2.998 1.00 0.00 O ATOM 211 CB ASN A 16 11.718 -7.067 1.125 1.00 0.00 C ATOM 212 CG ASN A 16 12.470 -7.339 2.432 1.00 0.00 C ATOM 213 OD1 ASN A 16 13.446 -8.082 2.446 1.00 0.00 O ATOM 214 ND2 ASN A 16 12.073 -6.782 3.561 1.00 0.00 N ATOM 0 H ASN A 16 10.243 -7.486 -0.764 1.00 0.00 H new ATOM 0 HA ASN A 16 9.868 -7.730 2.017 1.00 0.00 H new ATOM 0 HB2 ASN A 16 11.972 -7.846 0.406 1.00 0.00 H new ATOM 0 HB3 ASN A 16 12.070 -6.123 0.709 1.00 0.00 H new ATOM 0 HD21 ASN A 16 12.576 -6.972 4.428 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.263 -6.162 3.567 1.00 0.00 H new ATOM 221 N SER A 17 9.459 -4.638 0.927 1.00 0.00 N ATOM 222 CA SER A 17 8.915 -3.344 1.370 1.00 0.00 C ATOM 223 C SER A 17 7.372 -3.277 1.422 1.00 0.00 C ATOM 224 O SER A 17 6.825 -2.509 2.217 1.00 0.00 O ATOM 225 CB SER A 17 9.562 -2.179 0.613 1.00 0.00 C ATOM 226 OG SER A 17 9.513 -2.277 -0.796 1.00 0.00 O ATOM 0 H SER A 17 9.623 -4.703 -0.078 1.00 0.00 H new ATOM 0 HA SER A 17 9.199 -3.240 2.417 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.071 -1.253 0.914 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.605 -2.101 0.920 1.00 0.00 H new ATOM 0 HG SER A 17 10.207 -1.707 -1.188 1.00 0.00 H new ATOM 232 N CYS A 18 6.639 -4.134 0.697 1.00 0.00 N ATOM 233 CA CYS A 18 5.203 -4.352 0.887 1.00 0.00 C ATOM 234 C CYS A 18 4.900 -5.034 2.249 1.00 0.00 C ATOM 235 O CYS A 18 4.032 -4.552 2.980 1.00 0.00 O ATOM 236 CB CYS A 18 4.710 -5.154 -0.327 1.00 0.00 C ATOM 237 SG CYS A 18 4.795 -4.171 -1.846 1.00 0.00 S ATOM 0 H CYS A 18 7.037 -4.703 -0.050 1.00 0.00 H new ATOM 0 HA CYS A 18 4.663 -3.407 0.937 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.314 -6.054 -0.440 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.683 -5.478 -0.158 1.00 0.00 H new ATOM 0 HG CYS A 18 5.164 -4.931 -2.834 1.00 0.00 H new ATOM 242 N VAL A 19 5.637 -6.082 2.643 1.00 0.00 N ATOM 243 CA VAL A 19 5.461 -6.692 3.984 1.00 0.00 C ATOM 244 C VAL A 19 5.823 -5.710 5.116 1.00 0.00 C ATOM 245 O VAL A 19 5.119 -5.646 6.124 1.00 0.00 O ATOM 246 CB VAL A 19 6.168 -8.057 4.169 1.00 0.00 C ATOM 247 CG1 VAL A 19 5.616 -9.099 3.179 1.00 0.00 C ATOM 248 CG2 VAL A 19 7.699 -7.994 4.085 1.00 0.00 C ATOM 0 H VAL A 19 6.353 -6.525 2.067 1.00 0.00 H new ATOM 0 HA VAL A 19 4.395 -6.911 4.050 1.00 0.00 H new ATOM 0 HB VAL A 19 5.940 -8.364 5.190 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.128 -10.050 3.328 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.548 -9.232 3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.781 -8.754 2.158 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.112 -8.993 4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.994 -7.613 3.107 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.079 -7.331 4.863 1.00 0.00 H new ATOM 258 N TRP A 20 6.835 -4.852 4.914 1.00 0.00 N ATOM 259 CA TRP A 20 7.140 -3.726 5.807 1.00 0.00 C ATOM 260 C TRP A 20 6.007 -2.679 5.842 1.00 0.00 C ATOM 261 O TRP A 20 5.673 -2.175 6.918 1.00 0.00 O ATOM 262 CB TRP A 20 8.465 -3.099 5.358 1.00 0.00 C ATOM 263 CG TRP A 20 8.859 -1.839 6.064 1.00 0.00 C ATOM 264 CD1 TRP A 20 9.448 -1.766 7.276 1.00 0.00 C ATOM 265 CD2 TRP A 20 8.710 -0.457 5.612 1.00 0.00 C ATOM 266 NE1 TRP A 20 9.656 -0.444 7.616 1.00 0.00 N ATOM 267 CE2 TRP A 20 9.232 0.409 6.620 1.00 0.00 C ATOM 268 CE3 TRP A 20 8.209 0.149 4.441 1.00 0.00 C ATOM 269 CZ2 TRP A 20 9.257 1.804 6.474 1.00 0.00 C ATOM 270 CZ3 TRP A 20 8.241 1.546 4.280 1.00 0.00 C ATOM 271 CH2 TRP A 20 8.758 2.376 5.292 1.00 0.00 C ATOM 0 H TRP A 20 7.470 -4.922 4.119 1.00 0.00 H new ATOM 0 HA TRP A 20 7.230 -4.099 6.827 1.00 0.00 H new ATOM 0 HB2 TRP A 20 9.258 -3.834 5.495 1.00 0.00 H new ATOM 0 HB3 TRP A 20 8.404 -2.891 4.290 1.00 0.00 H new ATOM 0 HD1 TRP A 20 9.716 -2.614 7.888 1.00 0.00 H new ATOM 0 HE1 TRP A 20 10.072 -0.137 8.495 1.00 0.00 H new ATOM 0 HE3 TRP A 20 7.795 -0.468 3.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 9.654 2.430 7.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 7.864 1.987 3.369 1.00 0.00 H new ATOM 0 HH2 TRP A 20 8.771 3.448 5.161 1.00 0.00 H new ATOM 282 N THR A 21 5.361 -2.404 4.697 1.00 0.00 N ATOM 283 CA THR A 21 4.193 -1.506 4.596 1.00 0.00 C ATOM 284 C THR A 21 3.063 -1.968 5.516 1.00 0.00 C ATOM 285 O THR A 21 2.464 -1.122 6.170 1.00 0.00 O ATOM 286 CB THR A 21 3.709 -1.340 3.145 1.00 0.00 C ATOM 287 OG1 THR A 21 4.744 -0.837 2.332 1.00 0.00 O ATOM 288 CG2 THR A 21 2.529 -0.374 3.026 1.00 0.00 C ATOM 0 H THR A 21 5.638 -2.804 3.801 1.00 0.00 H new ATOM 0 HA THR A 21 4.516 -0.520 4.931 1.00 0.00 H new ATOM 0 HB THR A 21 3.396 -2.332 2.820 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.430 -1.526 2.212 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.228 -0.294 1.981 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.693 -0.747 3.617 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.824 0.608 3.395 1.00 0.00 H new ATOM 296 N ILE A 22 2.821 -3.278 5.675 1.00 0.00 N ATOM 297 CA ILE A 22 1.834 -3.804 6.653 1.00 0.00 C ATOM 298 C ILE A 22 2.126 -3.296 8.078 1.00 0.00 C ATOM 299 O ILE A 22 1.231 -2.786 8.752 1.00 0.00 O ATOM 300 CB ILE A 22 1.774 -5.359 6.654 1.00 0.00 C ATOM 301 CG1 ILE A 22 1.716 -6.028 5.259 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.586 -5.826 7.522 1.00 0.00 C ATOM 303 CD1 ILE A 22 0.431 -5.793 4.460 1.00 0.00 C ATOM 0 H ILE A 22 3.295 -4.004 5.138 1.00 0.00 H new ATOM 0 HA ILE A 22 0.862 -3.428 6.334 1.00 0.00 H new ATOM 0 HB ILE A 22 2.725 -5.686 7.074 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.559 -5.668 4.669 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.851 -7.102 5.386 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.543 -6.915 7.524 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.718 -5.466 8.543 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.342 -5.427 7.113 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.500 -6.307 3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.421 -6.180 5.019 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.298 -4.724 4.291 1.00 0.00 H new ATOM 315 N GLU A 23 3.383 -3.403 8.516 1.00 0.00 N ATOM 316 CA GLU A 23 3.852 -3.034 9.857 1.00 0.00 C ATOM 317 C GLU A 23 3.816 -1.514 10.091 1.00 0.00 C ATOM 318 O GLU A 23 3.538 -1.057 11.204 1.00 0.00 O ATOM 319 CB GLU A 23 5.272 -3.609 10.038 1.00 0.00 C ATOM 320 CG GLU A 23 5.761 -3.620 11.492 1.00 0.00 C ATOM 321 CD GLU A 23 7.003 -4.497 11.662 1.00 0.00 C ATOM 322 OE1 GLU A 23 8.121 -4.074 11.285 1.00 0.00 O ATOM 323 OE2 GLU A 23 6.894 -5.618 12.213 1.00 0.00 O ATOM 0 H GLU A 23 4.132 -3.763 7.924 1.00 0.00 H new ATOM 0 HA GLU A 23 3.181 -3.457 10.605 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.292 -4.628 9.651 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.968 -3.026 9.436 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.988 -2.602 11.808 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.965 -3.985 12.141 1.00 0.00 H new ATOM 330 N GLN A 24 4.050 -0.724 9.039 1.00 0.00 N ATOM 331 CA GLN A 24 3.877 0.731 9.060 1.00 0.00 C ATOM 332 C GLN A 24 2.395 1.132 9.102 1.00 0.00 C ATOM 333 O GLN A 24 2.038 2.056 9.836 1.00 0.00 O ATOM 334 CB GLN A 24 4.557 1.370 7.834 1.00 0.00 C ATOM 335 CG GLN A 24 6.093 1.300 7.852 1.00 0.00 C ATOM 336 CD GLN A 24 6.720 2.143 8.964 1.00 0.00 C ATOM 337 OE1 GLN A 24 7.076 1.642 10.025 1.00 0.00 O ATOM 338 NE2 GLN A 24 6.840 3.442 8.798 1.00 0.00 N ATOM 0 H GLN A 24 4.369 -1.081 8.138 1.00 0.00 H new ATOM 0 HA GLN A 24 4.349 1.100 9.971 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.193 0.876 6.933 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.254 2.415 7.769 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.402 0.262 7.974 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.477 1.636 6.889 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.548 3.873 7.921 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.225 4.018 9.546 1.00 0.00 H new ATOM 347 N GLN A 25 1.541 0.483 8.304 1.00 0.00 N ATOM 348 CA GLN A 25 0.128 0.830 8.161 1.00 0.00 C ATOM 349 C GLN A 25 -0.712 0.434 9.378 1.00 0.00 C ATOM 350 O GLN A 25 -1.484 1.248 9.877 1.00 0.00 O ATOM 351 CB GLN A 25 -0.439 0.185 6.880 1.00 0.00 C ATOM 352 CG GLN A 25 -1.777 0.796 6.445 1.00 0.00 C ATOM 353 CD GLN A 25 -1.687 2.290 6.151 1.00 0.00 C ATOM 354 OE1 GLN A 25 -2.094 3.125 6.952 1.00 0.00 O ATOM 355 NE2 GLN A 25 -1.123 2.688 5.037 1.00 0.00 N ATOM 0 H GLN A 25 1.820 -0.313 7.730 1.00 0.00 H new ATOM 0 HA GLN A 25 0.068 1.916 8.087 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.285 0.296 6.073 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.570 -0.884 7.045 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.134 0.278 5.555 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.517 0.630 7.228 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.781 2.001 4.365 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.026 3.685 4.842 1.00 0.00 H new ATOM 364 N ILE A 26 -0.616 -0.814 9.847 1.00 0.00 N ATOM 365 CA ILE A 26 -1.480 -1.317 10.932 1.00 0.00 C ATOM 366 C ILE A 26 -1.104 -0.697 12.290 1.00 0.00 C ATOM 367 O ILE A 26 -1.976 -0.337 13.089 1.00 0.00 O ATOM 368 CB ILE A 26 -1.523 -2.867 10.878 1.00 0.00 C ATOM 369 CG1 ILE A 26 -2.983 -3.369 10.786 1.00 0.00 C ATOM 370 CG2 ILE A 26 -0.729 -3.554 12.008 1.00 0.00 C ATOM 371 CD1 ILE A 26 -3.088 -4.705 10.046 1.00 0.00 C ATOM 0 H ILE A 26 0.052 -1.500 9.494 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.510 -0.989 10.788 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.005 -3.162 9.965 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.392 -3.479 11.790 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.591 -2.623 10.274 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.807 -4.636 11.902 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.318 -3.258 11.948 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.136 -3.254 12.973 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.131 -5.018 10.006 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.705 -4.590 9.032 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.503 -5.459 10.572 1.00 0.00 H new ATOM 383 N GLY A 27 0.195 -0.468 12.516 1.00 0.00 N ATOM 384 CA GLY A 27 0.710 0.267 13.680 1.00 0.00 C ATOM 385 C GLY A 27 0.150 1.689 13.825 1.00 0.00 C ATOM 386 O GLY A 27 0.097 2.220 14.933 1.00 0.00 O ATOM 0 H GLY A 27 0.930 -0.792 11.887 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.477 -0.297 14.583 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.796 0.322 13.609 1.00 0.00 H new ATOM 390 N LYS A 28 -0.362 2.291 12.745 1.00 0.00 N ATOM 391 CA LYS A 28 -0.910 3.656 12.734 1.00 0.00 C ATOM 392 C LYS A 28 -2.174 3.825 13.603 1.00 0.00 C ATOM 393 O LYS A 28 -2.478 4.940 14.034 1.00 0.00 O ATOM 394 CB LYS A 28 -1.195 4.007 11.267 1.00 0.00 C ATOM 395 CG LYS A 28 -1.451 5.500 11.003 1.00 0.00 C ATOM 396 CD LYS A 28 -1.680 5.783 9.511 1.00 0.00 C ATOM 397 CE LYS A 28 -0.439 5.466 8.666 1.00 0.00 C ATOM 398 NZ LYS A 28 -0.708 5.578 7.216 1.00 0.00 N ATOM 0 H LYS A 28 -0.409 1.835 11.834 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.182 4.335 13.177 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.350 3.684 10.659 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.063 3.439 10.933 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.321 5.826 11.573 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.601 6.083 11.358 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.522 5.189 9.155 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.950 6.831 9.379 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.367 6.147 8.938 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.095 4.457 8.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.193 5.643 6.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.232 4.739 6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.274 6.431 7.033 1.00 0.00 H new ATOM 412 N VAL A 29 -2.916 2.746 13.865 1.00 0.00 N ATOM 413 CA VAL A 29 -4.248 2.800 14.509 1.00 0.00 C ATOM 414 C VAL A 29 -4.186 2.974 16.043 1.00 0.00 C ATOM 415 O VAL A 29 -5.199 3.328 16.642 1.00 0.00 O ATOM 416 CB VAL A 29 -5.108 1.574 14.091 1.00 0.00 C ATOM 417 CG1 VAL A 29 -6.540 1.596 14.659 1.00 0.00 C ATOM 418 CG2 VAL A 29 -5.204 1.503 12.556 1.00 0.00 C ATOM 0 H VAL A 29 -2.614 1.799 13.638 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.738 3.702 14.143 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.602 0.702 14.505 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.078 0.709 14.324 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -6.499 1.606 15.748 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.057 2.489 14.307 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.808 0.642 12.269 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.668 2.414 12.178 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.204 1.403 12.133 1.00 0.00 H new ATOM 428 N ASN A 30 -3.023 2.724 16.667 1.00 0.00 N ATOM 429 CA ASN A 30 -2.719 2.694 18.117 1.00 0.00 C ATOM 430 C ASN A 30 -3.057 1.323 18.743 1.00 0.00 C ATOM 431 O ASN A 30 -2.300 0.808 19.568 1.00 0.00 O ATOM 432 CB ASN A 30 -3.413 3.833 18.896 1.00 0.00 C ATOM 433 CG ASN A 30 -2.903 3.955 20.328 1.00 0.00 C ATOM 434 OD1 ASN A 30 -3.410 3.334 21.257 1.00 0.00 O ATOM 435 ND2 ASN A 30 -1.886 4.762 20.544 1.00 0.00 N ATOM 0 H ASN A 30 -2.187 2.517 16.120 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.644 2.854 18.202 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.252 4.776 18.375 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.489 3.656 18.910 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.515 4.874 21.488 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.469 5.276 19.768 1.00 0.00 H new ATOM 442 N GLY A 31 -4.185 0.730 18.326 1.00 0.00 N ATOM 443 CA GLY A 31 -4.794 -0.452 18.948 1.00 0.00 C ATOM 444 C GLY A 31 -4.213 -1.807 18.541 1.00 0.00 C ATOM 445 O GLY A 31 -4.591 -2.804 19.144 1.00 0.00 O ATOM 0 H GLY A 31 -4.713 1.071 17.523 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.706 -0.353 20.030 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.858 -0.452 18.714 1.00 0.00 H new ATOM 449 N VAL A 32 -3.330 -1.902 17.546 1.00 0.00 N ATOM 450 CA VAL A 32 -2.594 -3.161 17.286 1.00 0.00 C ATOM 451 C VAL A 32 -1.547 -3.405 18.381 1.00 0.00 C ATOM 452 O VAL A 32 -0.716 -2.542 18.661 1.00 0.00 O ATOM 453 CB VAL A 32 -2.001 -3.243 15.870 1.00 0.00 C ATOM 454 CG1 VAL A 32 -1.205 -4.548 15.686 1.00 0.00 C ATOM 455 CG2 VAL A 32 -3.198 -3.173 14.902 1.00 0.00 C ATOM 0 H VAL A 32 -3.102 -1.139 16.909 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.321 -3.972 17.327 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.300 -2.430 15.682 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.795 -4.585 14.677 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.391 -4.583 16.410 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.865 -5.402 15.840 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.839 -3.227 13.874 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.871 -4.008 15.095 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.732 -2.234 15.051 1.00 0.00 H new ATOM 465 N HIS A 33 -1.591 -4.591 18.990 1.00 0.00 N ATOM 466 CA HIS A 33 -0.704 -5.007 20.081 1.00 0.00 C ATOM 467 C HIS A 33 0.507 -5.819 19.567 1.00 0.00 C ATOM 468 O HIS A 33 1.605 -5.708 20.120 1.00 0.00 O ATOM 469 CB HIS A 33 -1.548 -5.816 21.080 1.00 0.00 C ATOM 470 CG HIS A 33 -0.761 -6.388 22.230 1.00 0.00 C ATOM 471 ND1 HIS A 33 -0.461 -5.746 23.407 1.00 0.00 N ATOM 472 CD2 HIS A 33 -0.211 -7.641 22.300 1.00 0.00 C ATOM 473 CE1 HIS A 33 0.256 -6.590 24.166 1.00 0.00 C ATOM 474 NE2 HIS A 33 0.448 -7.763 23.530 1.00 0.00 N ATOM 0 H HIS A 33 -2.265 -5.311 18.731 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.280 -4.129 20.569 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -2.336 -5.175 21.476 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.038 -6.631 20.548 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.275 -8.404 21.538 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.629 -6.360 25.153 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.966 -8.572 23.873 1.00 0.00 H new ATOM 482 N HIS A 34 0.336 -6.615 18.505 1.00 0.00 N ATOM 483 CA HIS A 34 1.427 -7.280 17.781 1.00 0.00 C ATOM 484 C HIS A 34 1.006 -7.619 16.339 1.00 0.00 C ATOM 485 O HIS A 34 -0.048 -8.229 16.148 1.00 0.00 O ATOM 486 CB HIS A 34 1.841 -8.558 18.535 1.00 0.00 C ATOM 487 CG HIS A 34 3.009 -9.278 17.908 1.00 0.00 C ATOM 488 ND1 HIS A 34 2.976 -10.501 17.275 1.00 0.00 N ATOM 489 CD2 HIS A 34 4.309 -8.849 17.884 1.00 0.00 C ATOM 490 CE1 HIS A 34 4.229 -10.802 16.887 1.00 0.00 C ATOM 491 NE2 HIS A 34 5.082 -9.814 17.229 1.00 0.00 N ATOM 0 H HIS A 34 -0.585 -6.820 18.116 1.00 0.00 H new ATOM 0 HA HIS A 34 2.278 -6.601 17.729 1.00 0.00 H new ATOM 0 HB2 HIS A 34 2.095 -8.297 19.562 1.00 0.00 H new ATOM 0 HB3 HIS A 34 0.989 -9.236 18.579 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.676 -7.922 18.300 1.00 0.00 H new ATOM 0 HE1 HIS A 34 4.512 -11.709 16.373 1.00 0.00 H new ATOM 0 HE2 HIS A 34 6.085 -9.778 17.047 1.00 0.00 H new ATOM 499 N ILE A 35 1.824 -7.270 15.333 1.00 0.00 N ATOM 500 CA ILE A 35 1.632 -7.648 13.918 1.00 0.00 C ATOM 501 C ILE A 35 2.717 -8.629 13.447 1.00 0.00 C ATOM 502 O ILE A 35 3.920 -8.383 13.589 1.00 0.00 O ATOM 503 CB ILE A 35 1.519 -6.389 13.008 1.00 0.00 C ATOM 504 CG1 ILE A 35 1.354 -6.720 11.500 1.00 0.00 C ATOM 505 CG2 ILE A 35 2.621 -5.344 13.249 1.00 0.00 C ATOM 506 CD1 ILE A 35 2.631 -6.916 10.665 1.00 0.00 C ATOM 0 H ILE A 35 2.659 -6.703 15.482 1.00 0.00 H new ATOM 0 HA ILE A 35 0.683 -8.177 13.834 1.00 0.00 H new ATOM 0 HB ILE A 35 0.586 -5.922 13.323 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.759 -7.629 11.420 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.774 -5.918 11.043 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.473 -4.498 12.578 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.576 -5.000 14.282 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.596 -5.793 13.058 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.360 -7.141 9.633 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.228 -6.004 10.693 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.211 -7.742 11.076 1.00 0.00 H new ATOM 518 N LYS A 36 2.276 -9.723 12.827 1.00 0.00 N ATOM 519 CA LYS A 36 3.091 -10.722 12.132 1.00 0.00 C ATOM 520 C LYS A 36 2.572 -10.935 10.693 1.00 0.00 C ATOM 521 O LYS A 36 1.370 -10.896 10.439 1.00 0.00 O ATOM 522 CB LYS A 36 3.071 -12.024 12.961 1.00 0.00 C ATOM 523 CG LYS A 36 3.681 -13.231 12.227 1.00 0.00 C ATOM 524 CD LYS A 36 3.665 -14.492 13.095 1.00 0.00 C ATOM 525 CE LYS A 36 4.004 -15.711 12.228 1.00 0.00 C ATOM 526 NZ LYS A 36 3.976 -16.958 13.024 1.00 0.00 N ATOM 0 H LYS A 36 1.282 -9.950 12.794 1.00 0.00 H new ATOM 0 HA LYS A 36 4.122 -10.381 12.041 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.616 -11.861 13.891 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.041 -12.257 13.232 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.126 -13.416 11.307 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.707 -13.001 11.939 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.386 -14.397 13.907 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.684 -14.619 13.553 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.292 -15.785 11.406 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.991 -15.582 11.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.209 -17.766 12.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.673 -16.894 13.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.027 -17.091 13.427 1.00 0.00 H new ATOM 540 N VAL A 37 3.466 -11.204 9.748 1.00 0.00 N ATOM 541 CA VAL A 37 3.143 -11.579 8.363 1.00 0.00 C ATOM 542 C VAL A 37 4.039 -12.731 7.910 1.00 0.00 C ATOM 543 O VAL A 37 5.187 -12.851 8.343 1.00 0.00 O ATOM 544 CB VAL A 37 3.213 -10.374 7.390 1.00 0.00 C ATOM 545 CG1 VAL A 37 1.979 -9.483 7.570 1.00 0.00 C ATOM 546 CG2 VAL A 37 4.485 -9.523 7.550 1.00 0.00 C ATOM 0 H VAL A 37 4.470 -11.168 9.924 1.00 0.00 H new ATOM 0 HA VAL A 37 2.107 -11.918 8.342 1.00 0.00 H new ATOM 0 HB VAL A 37 3.241 -10.797 6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.036 -8.639 6.883 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.079 -10.061 7.360 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.943 -9.114 8.595 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.464 -8.699 6.837 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.531 -9.124 8.563 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.363 -10.142 7.363 1.00 0.00 H new ATOM 556 N SER A 38 3.487 -13.604 7.072 1.00 0.00 N ATOM 557 CA SER A 38 4.145 -14.811 6.565 1.00 0.00 C ATOM 558 C SER A 38 3.915 -14.917 5.051 1.00 0.00 C ATOM 559 O SER A 38 2.785 -15.139 4.610 1.00 0.00 O ATOM 560 CB SER A 38 3.594 -16.057 7.281 1.00 0.00 C ATOM 561 OG SER A 38 3.693 -15.954 8.696 1.00 0.00 O ATOM 0 H SER A 38 2.539 -13.490 6.714 1.00 0.00 H new ATOM 0 HA SER A 38 5.216 -14.750 6.761 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.550 -16.202 7.002 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.140 -16.938 6.944 1.00 0.00 H new ATOM 0 HG SER A 38 3.330 -16.765 9.109 1.00 0.00 H new ATOM 567 N LEU A 39 4.960 -14.713 4.237 1.00 0.00 N ATOM 568 CA LEU A 39 4.807 -14.507 2.788 1.00 0.00 C ATOM 569 C LEU A 39 4.658 -15.802 1.981 1.00 0.00 C ATOM 570 O LEU A 39 3.954 -15.801 0.975 1.00 0.00 O ATOM 571 CB LEU A 39 5.945 -13.601 2.276 1.00 0.00 C ATOM 572 CG LEU A 39 7.333 -14.272 2.151 1.00 0.00 C ATOM 573 CD1 LEU A 39 7.596 -14.791 0.725 1.00 0.00 C ATOM 574 CD2 LEU A 39 8.435 -13.269 2.516 1.00 0.00 C ATOM 0 H LEU A 39 5.927 -14.686 4.559 1.00 0.00 H new ATOM 0 HA LEU A 39 3.856 -14.000 2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.662 -13.210 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.034 -12.747 2.947 1.00 0.00 H new ATOM 0 HG LEU A 39 7.342 -15.119 2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.582 -15.255 0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.837 -15.527 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.556 -13.959 0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.409 -13.750 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.388 -12.415 1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.292 -12.929 3.542 1.00 0.00 H new ATOM 586 N GLU A 40 5.272 -16.911 2.406 1.00 0.00 N ATOM 587 CA GLU A 40 5.135 -18.205 1.725 1.00 0.00 C ATOM 588 C GLU A 40 3.916 -18.979 2.258 1.00 0.00 C ATOM 589 O GLU A 40 3.246 -19.681 1.495 1.00 0.00 O ATOM 590 CB GLU A 40 6.431 -19.026 1.832 1.00 0.00 C ATOM 591 CG GLU A 40 6.440 -20.188 0.828 1.00 0.00 C ATOM 592 CD GLU A 40 7.778 -20.918 0.816 1.00 0.00 C ATOM 593 OE1 GLU A 40 8.672 -20.531 0.029 1.00 0.00 O ATOM 594 OE2 GLU A 40 7.933 -21.895 1.584 1.00 0.00 O ATOM 0 H GLU A 40 5.876 -16.939 3.228 1.00 0.00 H new ATOM 0 HA GLU A 40 4.961 -18.017 0.665 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.290 -18.379 1.651 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.534 -19.417 2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.645 -20.891 1.079 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.225 -19.807 -0.170 1.00 0.00 H new ATOM 601 N GLU A 41 3.570 -18.804 3.538 1.00 0.00 N ATOM 602 CA GLU A 41 2.260 -19.190 4.089 1.00 0.00 C ATOM 603 C GLU A 41 1.130 -18.203 3.689 1.00 0.00 C ATOM 604 O GLU A 41 -0.025 -18.419 4.056 1.00 0.00 O ATOM 605 CB GLU A 41 2.331 -19.374 5.617 1.00 0.00 C ATOM 606 CG GLU A 41 3.278 -20.493 6.076 1.00 0.00 C ATOM 607 CD GLU A 41 3.211 -20.715 7.590 1.00 0.00 C ATOM 608 OE1 GLU A 41 2.148 -21.134 8.108 1.00 0.00 O ATOM 609 OE2 GLU A 41 4.217 -20.461 8.297 1.00 0.00 O ATOM 0 H GLU A 41 4.194 -18.387 4.229 1.00 0.00 H new ATOM 0 HA GLU A 41 2.003 -20.151 3.644 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.650 -18.435 6.070 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.330 -19.585 5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.021 -21.419 5.562 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.300 -20.243 5.791 1.00 0.00 H new ATOM 616 N LYS A 42 1.434 -17.148 2.918 1.00 0.00 N ATOM 617 CA LYS A 42 0.489 -16.189 2.300 1.00 0.00 C ATOM 618 C LYS A 42 -0.600 -15.653 3.256 1.00 0.00 C ATOM 619 O LYS A 42 -1.784 -15.608 2.910 1.00 0.00 O ATOM 620 CB LYS A 42 -0.071 -16.772 0.978 1.00 0.00 C ATOM 621 CG LYS A 42 1.016 -16.822 -0.107 1.00 0.00 C ATOM 622 CD LYS A 42 0.517 -17.283 -1.484 1.00 0.00 C ATOM 623 CE LYS A 42 0.207 -18.783 -1.531 1.00 0.00 C ATOM 624 NZ LYS A 42 0.264 -19.309 -2.917 1.00 0.00 N ATOM 0 H LYS A 42 2.403 -16.923 2.692 1.00 0.00 H new ATOM 0 HA LYS A 42 1.057 -15.291 2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.460 -17.775 1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.906 -16.163 0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.458 -15.831 -0.207 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.810 -17.493 0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.380 -16.723 -1.747 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.271 -17.049 -2.236 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.920 -19.322 -0.907 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.783 -18.964 -1.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.049 -20.327 -2.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.434 -18.811 -3.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.216 -19.159 -3.307 1.00 0.00 H new ATOM 638 N ASN A 43 -0.220 -15.238 4.467 1.00 0.00 N ATOM 639 CA ASN A 43 -1.164 -14.772 5.486 1.00 0.00 C ATOM 640 C ASN A 43 -0.561 -13.750 6.467 1.00 0.00 C ATOM 641 O ASN A 43 0.656 -13.593 6.574 1.00 0.00 O ATOM 642 CB ASN A 43 -1.788 -15.969 6.227 1.00 0.00 C ATOM 643 CG ASN A 43 -0.840 -16.573 7.251 1.00 0.00 C ATOM 644 OD1 ASN A 43 -0.675 -16.053 8.346 1.00 0.00 O ATOM 645 ND2 ASN A 43 -0.158 -17.645 6.919 1.00 0.00 N ATOM 0 H ASN A 43 0.754 -15.216 4.769 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.951 -14.233 4.958 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.702 -15.648 6.727 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.072 -16.733 5.503 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.512 -18.047 7.575 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.298 -18.076 6.005 1.00 0.00 H new ATOM 652 N ALA A 44 -1.450 -13.068 7.180 1.00 0.00 N ATOM 653 CA ALA A 44 -1.174 -12.013 8.145 1.00 0.00 C ATOM 654 C ALA A 44 -1.808 -12.385 9.503 1.00 0.00 C ATOM 655 O ALA A 44 -3.021 -12.594 9.564 1.00 0.00 O ATOM 656 CB ALA A 44 -1.771 -10.729 7.541 1.00 0.00 C ATOM 0 H ALA A 44 -2.450 -13.251 7.092 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.110 -11.872 8.334 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.598 -9.893 8.219 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.296 -10.523 6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.843 -10.860 7.394 1.00 0.00 H new ATOM 662 N THR A 45 -1.005 -12.475 10.569 1.00 0.00 N ATOM 663 CA THR A 45 -1.426 -12.852 11.936 1.00 0.00 C ATOM 664 C THR A 45 -1.291 -11.644 12.855 1.00 0.00 C ATOM 665 O THR A 45 -0.338 -10.878 12.742 1.00 0.00 O ATOM 666 CB THR A 45 -0.576 -14.012 12.464 1.00 0.00 C ATOM 667 OG1 THR A 45 -0.677 -15.108 11.588 1.00 0.00 O ATOM 668 CG2 THR A 45 -1.049 -14.492 13.835 1.00 0.00 C ATOM 0 H THR A 45 -0.005 -12.281 10.508 1.00 0.00 H new ATOM 0 HA THR A 45 -2.466 -13.177 11.910 1.00 0.00 H new ATOM 0 HB THR A 45 0.447 -13.645 12.540 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.131 -15.848 11.926 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.418 -15.315 14.170 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.985 -13.671 14.550 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.082 -14.833 13.765 1.00 0.00 H new ATOM 676 N ILE A 46 -2.227 -11.441 13.777 1.00 0.00 N ATOM 677 CA ILE A 46 -2.278 -10.196 14.559 1.00 0.00 C ATOM 678 C ILE A 46 -2.992 -10.356 15.909 1.00 0.00 C ATOM 679 O ILE A 46 -3.976 -11.096 16.034 1.00 0.00 O ATOM 680 CB ILE A 46 -2.866 -9.075 13.662 1.00 0.00 C ATOM 681 CG1 ILE A 46 -2.618 -7.659 14.221 1.00 0.00 C ATOM 682 CG2 ILE A 46 -4.350 -9.322 13.356 1.00 0.00 C ATOM 683 CD1 ILE A 46 -3.202 -6.559 13.335 1.00 0.00 C ATOM 0 H ILE A 46 -2.959 -12.114 14.005 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.266 -9.911 14.847 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.323 -9.119 12.718 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.054 -7.586 15.217 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.545 -7.500 14.330 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.730 -8.518 12.726 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.461 -10.274 12.836 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.914 -9.350 14.288 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.996 -5.586 13.780 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.748 -6.609 12.345 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.280 -6.697 13.247 1.00 0.00 H new ATOM 695 N ILE A 47 -2.497 -9.624 16.909 1.00 0.00 N ATOM 696 CA ILE A 47 -3.167 -9.379 18.195 1.00 0.00 C ATOM 697 C ILE A 47 -3.504 -7.889 18.301 1.00 0.00 C ATOM 698 O ILE A 47 -2.643 -7.037 18.056 1.00 0.00 O ATOM 699 CB ILE A 47 -2.290 -9.824 19.392 1.00 0.00 C ATOM 700 CG1 ILE A 47 -1.892 -11.316 19.301 1.00 0.00 C ATOM 701 CG2 ILE A 47 -3.044 -9.562 20.708 1.00 0.00 C ATOM 702 CD1 ILE A 47 -1.104 -11.832 20.518 1.00 0.00 C ATOM 0 H ILE A 47 -1.587 -9.168 16.847 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.081 -9.971 18.232 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.370 -9.240 19.365 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.795 -11.915 19.186 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.293 -11.467 18.403 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.426 -9.875 21.550 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.264 -8.498 20.796 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.976 -10.127 20.712 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.864 -12.886 20.376 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.182 -11.260 20.623 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.708 -11.716 21.418 1.00 0.00 H new ATOM 714 N TYR A 48 -4.730 -7.571 18.722 1.00 0.00 N ATOM 715 CA TYR A 48 -5.236 -6.203 18.854 1.00 0.00 C ATOM 716 C TYR A 48 -6.071 -5.963 20.125 1.00 0.00 C ATOM 717 O TYR A 48 -6.639 -6.886 20.713 1.00 0.00 O ATOM 718 CB TYR A 48 -6.028 -5.845 17.585 1.00 0.00 C ATOM 719 CG TYR A 48 -7.313 -6.632 17.370 1.00 0.00 C ATOM 720 CD1 TYR A 48 -8.528 -6.179 17.924 1.00 0.00 C ATOM 721 CD2 TYR A 48 -7.299 -7.814 16.603 1.00 0.00 C ATOM 722 CE1 TYR A 48 -9.723 -6.892 17.709 1.00 0.00 C ATOM 723 CE2 TYR A 48 -8.488 -8.539 16.397 1.00 0.00 C ATOM 724 CZ TYR A 48 -9.702 -8.078 16.943 1.00 0.00 C ATOM 725 OH TYR A 48 -10.839 -8.794 16.736 1.00 0.00 O ATOM 0 H TYR A 48 -5.417 -8.277 18.988 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.375 -5.543 18.962 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.274 -4.784 17.619 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.382 -5.995 16.720 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.542 -5.277 18.518 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.373 -8.165 16.172 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.652 -6.533 18.128 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.469 -9.451 15.819 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.636 -9.579 16.186 1.00 0.00 H new ATOM 735 N ASP A 49 -6.150 -4.689 20.525 1.00 0.00 N ATOM 736 CA ASP A 49 -6.970 -4.131 21.600 1.00 0.00 C ATOM 737 C ASP A 49 -8.376 -3.801 21.045 1.00 0.00 C ATOM 738 O ASP A 49 -8.510 -2.868 20.237 1.00 0.00 O ATOM 739 CB ASP A 49 -6.234 -2.878 22.119 1.00 0.00 C ATOM 740 CG ASP A 49 -6.830 -2.219 23.381 1.00 0.00 C ATOM 741 OD1 ASP A 49 -7.929 -2.604 23.819 1.00 0.00 O ATOM 742 OD2 ASP A 49 -6.144 -1.316 23.912 1.00 0.00 O ATOM 0 H ASP A 49 -5.596 -3.965 20.067 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.110 -4.831 22.424 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.199 -3.149 22.329 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.213 -2.136 21.321 1.00 0.00 H new ATOM 747 N PRO A 50 -9.429 -4.564 21.411 1.00 0.00 N ATOM 748 CA PRO A 50 -10.730 -4.514 20.745 1.00 0.00 C ATOM 749 C PRO A 50 -11.489 -3.205 20.988 1.00 0.00 C ATOM 750 O PRO A 50 -12.399 -2.879 20.225 1.00 0.00 O ATOM 751 CB PRO A 50 -11.503 -5.733 21.264 1.00 0.00 C ATOM 752 CG PRO A 50 -10.893 -5.977 22.641 1.00 0.00 C ATOM 753 CD PRO A 50 -9.429 -5.601 22.430 1.00 0.00 C ATOM 0 HA PRO A 50 -10.605 -4.543 19.663 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -12.573 -5.533 21.328 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -11.378 -6.596 20.610 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -11.363 -5.361 23.407 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.003 -7.015 22.955 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -8.981 -5.240 23.356 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.846 -6.464 22.109 1.00 0.00 H new ATOM 761 N LYS A 51 -11.094 -2.411 21.992 1.00 0.00 N ATOM 762 CA LYS A 51 -11.638 -1.067 22.199 1.00 0.00 C ATOM 763 C LYS A 51 -11.360 -0.124 21.010 1.00 0.00 C ATOM 764 O LYS A 51 -12.178 0.754 20.734 1.00 0.00 O ATOM 765 CB LYS A 51 -11.043 -0.476 23.488 1.00 0.00 C ATOM 766 CG LYS A 51 -11.375 -1.283 24.757 1.00 0.00 C ATOM 767 CD LYS A 51 -11.033 -0.498 26.033 1.00 0.00 C ATOM 768 CE LYS A 51 -9.532 -0.189 26.123 1.00 0.00 C ATOM 769 NZ LYS A 51 -9.238 0.845 27.142 1.00 0.00 N ATOM 0 H LYS A 51 -10.391 -2.683 22.680 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.721 -1.157 22.284 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.960 -0.415 23.382 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.409 0.543 23.611 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.435 -1.538 24.759 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.821 -2.222 24.747 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.598 0.434 26.050 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.340 -1.072 26.907 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.988 -1.102 26.365 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.172 0.148 25.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.214 1.023 27.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.736 1.725 26.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.557 0.514 28.075 1.00 0.00 H new ATOM 783 N LEU A 52 -10.216 -0.284 20.327 1.00 0.00 N ATOM 784 CA LEU A 52 -9.745 0.580 19.229 1.00 0.00 C ATOM 785 C LEU A 52 -9.737 -0.121 17.858 1.00 0.00 C ATOM 786 O LEU A 52 -9.740 0.556 16.828 1.00 0.00 O ATOM 787 CB LEU A 52 -8.311 1.035 19.576 1.00 0.00 C ATOM 788 CG LEU A 52 -8.191 2.300 20.453 1.00 0.00 C ATOM 789 CD1 LEU A 52 -9.057 2.296 21.719 1.00 0.00 C ATOM 790 CD2 LEU A 52 -6.718 2.444 20.856 1.00 0.00 C ATOM 0 H LEU A 52 -9.569 -1.046 20.530 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.435 1.419 19.140 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.805 0.215 20.086 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.773 1.211 18.645 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.556 3.136 19.856 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.904 3.225 22.268 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.107 2.208 21.441 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.776 1.452 22.349 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.596 3.330 21.478 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.406 1.562 21.415 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.104 2.542 19.961 1.00 0.00 H new ATOM 802 N GLN A 53 -9.683 -1.454 17.821 1.00 0.00 N ATOM 803 CA GLN A 53 -9.513 -2.240 16.596 1.00 0.00 C ATOM 804 C GLN A 53 -10.660 -3.239 16.363 1.00 0.00 C ATOM 805 O GLN A 53 -11.369 -3.618 17.303 1.00 0.00 O ATOM 806 CB GLN A 53 -8.148 -2.962 16.665 1.00 0.00 C ATOM 807 CG GLN A 53 -6.987 -2.164 16.040 1.00 0.00 C ATOM 808 CD GLN A 53 -7.081 -2.113 14.516 1.00 0.00 C ATOM 809 OE1 GLN A 53 -8.115 -2.400 13.943 1.00 0.00 O ATOM 810 NE2 GLN A 53 -6.030 -1.767 13.802 1.00 0.00 N ATOM 0 H GLN A 53 -9.758 -2.030 18.659 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.538 -1.562 15.743 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.911 -3.172 17.708 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.230 -3.923 16.157 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.990 -1.149 16.437 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.039 -2.617 16.330 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.155 -1.523 14.267 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.091 -1.743 12.784 1.00 0.00 H new ATOM 819 N THR A 54 -10.811 -3.668 15.099 1.00 0.00 N ATOM 820 CA THR A 54 -11.751 -4.703 14.620 1.00 0.00 C ATOM 821 C THR A 54 -11.183 -5.410 13.380 1.00 0.00 C ATOM 822 O THR A 54 -10.372 -4.810 12.668 1.00 0.00 O ATOM 823 CB THR A 54 -13.139 -4.148 14.251 1.00 0.00 C ATOM 824 OG1 THR A 54 -13.033 -2.966 13.492 1.00 0.00 O ATOM 825 CG2 THR A 54 -14.025 -3.897 15.465 1.00 0.00 C ATOM 0 H THR A 54 -10.250 -3.282 14.339 1.00 0.00 H new ATOM 0 HA THR A 54 -11.871 -5.395 15.453 1.00 0.00 H new ATOM 0 HB THR A 54 -13.615 -4.923 13.651 1.00 0.00 H new ATOM 0 HG1 THR A 54 -13.930 -2.638 13.271 1.00 0.00 H new ATOM 0 HG21 THR A 54 -14.989 -3.507 15.138 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.177 -4.832 16.004 1.00 0.00 H new ATOM 0 HG23 THR A 54 -13.544 -3.173 16.123 1.00 0.00 H new ATOM 833 N PRO A 55 -11.635 -6.642 13.060 1.00 0.00 N ATOM 834 CA PRO A 55 -11.237 -7.357 11.845 1.00 0.00 C ATOM 835 C PRO A 55 -11.495 -6.562 10.556 1.00 0.00 C ATOM 836 O PRO A 55 -10.713 -6.656 9.612 1.00 0.00 O ATOM 837 CB PRO A 55 -12.019 -8.674 11.858 1.00 0.00 C ATOM 838 CG PRO A 55 -12.382 -8.879 13.324 1.00 0.00 C ATOM 839 CD PRO A 55 -12.550 -7.459 13.846 1.00 0.00 C ATOM 0 HA PRO A 55 -10.160 -7.522 11.846 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.909 -8.615 11.232 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.416 -9.499 11.478 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.298 -9.459 13.434 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.599 -9.415 13.861 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.579 -7.118 13.730 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.313 -7.401 14.908 1.00 0.00 H new ATOM 847 N LYS A 56 -12.542 -5.721 10.532 1.00 0.00 N ATOM 848 CA LYS A 56 -12.764 -4.747 9.457 1.00 0.00 C ATOM 849 C LYS A 56 -11.540 -3.835 9.247 1.00 0.00 C ATOM 850 O LYS A 56 -10.930 -3.874 8.176 1.00 0.00 O ATOM 851 CB LYS A 56 -14.040 -3.936 9.756 1.00 0.00 C ATOM 852 CG LYS A 56 -14.325 -2.943 8.619 1.00 0.00 C ATOM 853 CD LYS A 56 -15.563 -2.078 8.875 1.00 0.00 C ATOM 854 CE LYS A 56 -15.618 -0.893 7.896 1.00 0.00 C ATOM 855 NZ LYS A 56 -15.657 -1.320 6.474 1.00 0.00 N ATOM 0 H LYS A 56 -13.257 -5.699 11.259 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.904 -5.286 8.520 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.887 -4.611 9.878 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.924 -3.397 10.697 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.458 -2.296 8.484 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -14.460 -3.494 7.688 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -16.463 -2.684 8.769 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -15.547 -1.707 9.900 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -16.499 -0.289 8.113 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.748 -0.256 8.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -15.796 -0.488 5.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.760 -1.785 6.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -16.443 -1.987 6.333 1.00 0.00 H new ATOM 869 N THR A 57 -11.153 -3.050 10.263 1.00 0.00 N ATOM 870 CA THR A 57 -10.029 -2.093 10.223 1.00 0.00 C ATOM 871 C THR A 57 -8.712 -2.762 9.815 1.00 0.00 C ATOM 872 O THR A 57 -7.919 -2.151 9.101 1.00 0.00 O ATOM 873 CB THR A 57 -9.923 -1.407 11.591 1.00 0.00 C ATOM 874 OG1 THR A 57 -11.111 -0.692 11.834 1.00 0.00 O ATOM 875 CG2 THR A 57 -8.767 -0.409 11.701 1.00 0.00 C ATOM 0 H THR A 57 -11.627 -3.061 11.166 1.00 0.00 H new ATOM 0 HA THR A 57 -10.226 -1.344 9.456 1.00 0.00 H new ATOM 0 HB THR A 57 -9.746 -2.203 12.314 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.054 -0.251 12.707 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.761 0.032 12.698 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.823 -0.925 11.527 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.893 0.377 10.957 1.00 0.00 H new ATOM 883 N LEU A 58 -8.499 -4.035 10.167 1.00 0.00 N ATOM 884 CA LEU A 58 -7.331 -4.822 9.740 1.00 0.00 C ATOM 885 C LEU A 58 -7.293 -5.019 8.216 1.00 0.00 C ATOM 886 O LEU A 58 -6.235 -4.883 7.605 1.00 0.00 O ATOM 887 CB LEU A 58 -7.359 -6.175 10.479 1.00 0.00 C ATOM 888 CG LEU A 58 -6.650 -6.233 11.848 1.00 0.00 C ATOM 889 CD1 LEU A 58 -6.786 -4.981 12.720 1.00 0.00 C ATOM 890 CD2 LEU A 58 -7.181 -7.434 12.642 1.00 0.00 C ATOM 0 H LEU A 58 -9.140 -4.557 10.764 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.422 -4.278 9.996 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.401 -6.462 10.623 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.908 -6.926 9.830 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.589 -6.319 11.612 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.250 -5.131 13.657 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.365 -4.124 12.194 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.840 -4.796 12.930 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.683 -7.479 13.610 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.255 -7.325 12.791 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.983 -8.352 12.089 1.00 0.00 H new ATOM 902 N GLN A 59 -8.437 -5.295 7.584 1.00 0.00 N ATOM 903 CA GLN A 59 -8.546 -5.388 6.124 1.00 0.00 C ATOM 904 C GLN A 59 -8.350 -4.034 5.420 1.00 0.00 C ATOM 905 O GLN A 59 -7.830 -4.012 4.302 1.00 0.00 O ATOM 906 CB GLN A 59 -9.900 -6.016 5.745 1.00 0.00 C ATOM 907 CG GLN A 59 -9.979 -7.491 6.157 1.00 0.00 C ATOM 908 CD GLN A 59 -11.223 -8.178 5.594 1.00 0.00 C ATOM 909 OE1 GLN A 59 -12.348 -7.873 5.969 1.00 0.00 O ATOM 910 NE2 GLN A 59 -11.094 -9.111 4.673 1.00 0.00 N ATOM 0 H GLN A 59 -9.317 -5.461 8.072 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.736 -6.028 5.775 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.705 -5.461 6.226 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -10.052 -5.931 4.669 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.088 -8.013 5.808 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.986 -7.564 7.245 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.166 -9.380 4.346 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.922 -9.564 4.287 1.00 0.00 H new ATOM 919 N GLU A 60 -8.712 -2.911 6.055 1.00 0.00 N ATOM 920 CA GLU A 60 -8.561 -1.566 5.473 1.00 0.00 C ATOM 921 C GLU A 60 -7.105 -1.103 5.366 1.00 0.00 C ATOM 922 O GLU A 60 -6.805 -0.232 4.550 1.00 0.00 O ATOM 923 CB GLU A 60 -9.348 -0.509 6.263 1.00 0.00 C ATOM 924 CG GLU A 60 -10.826 -0.869 6.364 1.00 0.00 C ATOM 925 CD GLU A 60 -11.665 0.318 6.817 1.00 0.00 C ATOM 926 OE1 GLU A 60 -11.810 0.528 8.043 1.00 0.00 O ATOM 927 OE2 GLU A 60 -12.178 1.063 5.947 1.00 0.00 O ATOM 0 H GLU A 60 -9.119 -2.907 6.990 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.965 -1.659 4.465 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.927 -0.414 7.264 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.242 0.462 5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.183 -1.218 5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.953 -1.693 7.066 1.00 0.00 H new ATOM 934 N ALA A 61 -6.188 -1.663 6.161 1.00 0.00 N ATOM 935 CA ALA A 61 -4.748 -1.406 5.992 1.00 0.00 C ATOM 936 C ALA A 61 -4.199 -1.980 4.674 1.00 0.00 C ATOM 937 O ALA A 61 -3.293 -1.404 4.076 1.00 0.00 O ATOM 938 CB ALA A 61 -3.962 -1.957 7.190 1.00 0.00 C ATOM 0 H ALA A 61 -6.413 -2.297 6.928 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.618 -0.325 5.946 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.899 -1.759 7.050 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.304 -1.472 8.104 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.124 -3.032 7.268 1.00 0.00 H new ATOM 944 N ILE A 62 -4.750 -3.101 4.203 1.00 0.00 N ATOM 945 CA ILE A 62 -4.342 -3.761 2.955 1.00 0.00 C ATOM 946 C ILE A 62 -4.771 -2.924 1.749 1.00 0.00 C ATOM 947 O ILE A 62 -3.988 -2.690 0.828 1.00 0.00 O ATOM 948 CB ILE A 62 -4.949 -5.187 2.903 1.00 0.00 C ATOM 949 CG1 ILE A 62 -4.723 -6.007 4.195 1.00 0.00 C ATOM 950 CG2 ILE A 62 -4.419 -5.956 1.687 1.00 0.00 C ATOM 951 CD1 ILE A 62 -3.278 -6.010 4.710 1.00 0.00 C ATOM 0 H ILE A 62 -5.506 -3.587 4.685 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.256 -3.849 2.924 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.026 -5.050 2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.372 -5.613 4.977 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.032 -7.037 4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.857 -6.954 1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.689 -5.424 0.774 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.334 -6.037 1.752 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.217 -6.610 5.618 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.622 -6.434 3.950 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.967 -4.988 4.928 1.00 0.00 H new ATOM 963 N ASP A 63 -6.024 -2.475 1.776 1.00 0.00 N ATOM 964 CA ASP A 63 -6.615 -1.604 0.766 1.00 0.00 C ATOM 965 C ASP A 63 -6.163 -0.128 0.842 1.00 0.00 C ATOM 966 O ASP A 63 -6.513 0.652 -0.040 1.00 0.00 O ATOM 967 CB ASP A 63 -8.141 -1.768 0.819 1.00 0.00 C ATOM 968 CG ASP A 63 -8.846 -1.283 -0.447 1.00 0.00 C ATOM 969 OD1 ASP A 63 -8.324 -1.511 -1.577 1.00 0.00 O ATOM 970 OD2 ASP A 63 -9.944 -0.707 -0.318 1.00 0.00 O ATOM 0 H ASP A 63 -6.674 -2.715 2.524 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.243 -1.919 -0.209 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.381 -2.819 0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.529 -1.217 1.676 1.00 0.00 H new ATOM 975 N ASP A 64 -5.395 0.275 1.866 1.00 0.00 N ATOM 976 CA ASP A 64 -4.777 1.612 1.933 1.00 0.00 C ATOM 977 C ASP A 64 -3.653 1.753 0.895 1.00 0.00 C ATOM 978 O ASP A 64 -3.492 2.821 0.306 1.00 0.00 O ATOM 979 CB ASP A 64 -4.239 1.904 3.345 1.00 0.00 C ATOM 980 CG ASP A 64 -4.354 3.392 3.718 1.00 0.00 C ATOM 981 OD1 ASP A 64 -3.653 4.246 3.124 1.00 0.00 O ATOM 982 OD2 ASP A 64 -5.186 3.708 4.603 1.00 0.00 O ATOM 0 H ASP A 64 -5.184 -0.315 2.671 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.552 2.344 1.703 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.789 1.306 4.072 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.195 1.597 3.404 1.00 0.00 H new ATOM 987 N MET A 65 -2.936 0.653 0.610 1.00 0.00 N ATOM 988 CA MET A 65 -2.191 0.481 -0.645 1.00 0.00 C ATOM 989 C MET A 65 -3.097 -0.209 -1.686 1.00 0.00 C ATOM 990 O MET A 65 -4.130 0.357 -2.058 1.00 0.00 O ATOM 991 CB MET A 65 -0.796 -0.154 -0.418 1.00 0.00 C ATOM 992 CG MET A 65 -0.724 -1.413 0.459 1.00 0.00 C ATOM 993 SD MET A 65 0.869 -2.265 0.346 1.00 0.00 S ATOM 994 CE MET A 65 0.595 -3.529 1.614 1.00 0.00 C ATOM 0 H MET A 65 -2.858 -0.142 1.245 1.00 0.00 H new ATOM 0 HA MET A 65 -1.937 1.451 -1.072 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.375 -0.399 -1.393 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.150 0.603 0.027 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.909 -1.137 1.497 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.518 -2.099 0.165 1.00 0.00 H new ATOM 0 HE1 MET A 65 1.479 -4.162 1.693 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.406 -3.047 2.573 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.265 -4.139 1.339 1.00 0.00 H new ATOM 1004 N GLY A 66 -2.720 -1.383 -2.205 1.00 0.00 N ATOM 1005 CA GLY A 66 -3.540 -2.127 -3.166 1.00 0.00 C ATOM 1006 C GLY A 66 -3.236 -3.619 -3.252 1.00 0.00 C ATOM 1007 O GLY A 66 -2.568 -4.051 -4.190 1.00 0.00 O ATOM 0 H GLY A 66 -1.840 -1.843 -1.971 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.590 -2.000 -2.901 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.405 -1.686 -4.154 1.00 0.00 H new ATOM 1011 N PHE A 67 -3.753 -4.395 -2.297 1.00 0.00 N ATOM 1012 CA PHE A 67 -3.682 -5.865 -2.257 1.00 0.00 C ATOM 1013 C PHE A 67 -5.059 -6.481 -1.935 1.00 0.00 C ATOM 1014 O PHE A 67 -6.039 -5.756 -1.757 1.00 0.00 O ATOM 1015 CB PHE A 67 -2.588 -6.270 -1.251 1.00 0.00 C ATOM 1016 CG PHE A 67 -1.185 -6.177 -1.810 1.00 0.00 C ATOM 1017 CD1 PHE A 67 -0.462 -4.972 -1.720 1.00 0.00 C ATOM 1018 CD2 PHE A 67 -0.605 -7.301 -2.428 1.00 0.00 C ATOM 1019 CE1 PHE A 67 0.837 -4.891 -2.252 1.00 0.00 C ATOM 1020 CE2 PHE A 67 0.695 -7.221 -2.950 1.00 0.00 C ATOM 1021 CZ PHE A 67 1.415 -6.018 -2.860 1.00 0.00 C ATOM 0 H PHE A 67 -4.253 -4.006 -1.498 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.411 -6.259 -3.236 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.662 -5.632 -0.370 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.771 -7.292 -0.920 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.905 -4.110 -1.243 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.160 -8.224 -2.500 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.389 -3.965 -2.193 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.142 -8.084 -3.421 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.417 -5.959 -3.260 1.00 0.00 H new ATOM 1031 N ASP A 68 -5.153 -7.815 -1.877 1.00 0.00 N ATOM 1032 CA ASP A 68 -6.401 -8.578 -1.716 1.00 0.00 C ATOM 1033 C ASP A 68 -6.315 -9.484 -0.472 1.00 0.00 C ATOM 1034 O ASP A 68 -5.273 -10.102 -0.230 1.00 0.00 O ATOM 1035 CB ASP A 68 -6.654 -9.416 -2.984 1.00 0.00 C ATOM 1036 CG ASP A 68 -6.685 -8.569 -4.263 1.00 0.00 C ATOM 1037 OD1 ASP A 68 -7.600 -7.726 -4.413 1.00 0.00 O ATOM 1038 OD2 ASP A 68 -5.766 -8.711 -5.105 1.00 0.00 O ATOM 0 H ASP A 68 -4.332 -8.417 -1.943 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.233 -7.888 -1.575 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.875 -10.173 -3.074 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.602 -9.944 -2.881 1.00 0.00 H new ATOM 1043 N ALA A 69 -7.389 -9.557 0.327 1.00 0.00 N ATOM 1044 CA ALA A 69 -7.354 -10.180 1.658 1.00 0.00 C ATOM 1045 C ALA A 69 -8.710 -10.687 2.183 1.00 0.00 C ATOM 1046 O ALA A 69 -9.714 -9.987 2.049 1.00 0.00 O ATOM 1047 CB ALA A 69 -6.752 -9.175 2.645 1.00 0.00 C ATOM 0 H ALA A 69 -8.304 -9.187 0.070 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.743 -11.077 1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.717 -9.619 3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.742 -8.914 2.328 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.368 -8.276 2.670 1.00 0.00 H new ATOM 1053 N VAL A 70 -8.715 -11.842 2.867 1.00 0.00 N ATOM 1054 CA VAL A 70 -9.916 -12.536 3.385 1.00 0.00 C ATOM 1055 C VAL A 70 -9.654 -13.034 4.810 1.00 0.00 C ATOM 1056 O VAL A 70 -8.589 -13.589 5.076 1.00 0.00 O ATOM 1057 CB VAL A 70 -10.288 -13.763 2.511 1.00 0.00 C ATOM 1058 CG1 VAL A 70 -11.652 -14.350 2.915 1.00 0.00 C ATOM 1059 CG2 VAL A 70 -10.348 -13.419 1.012 1.00 0.00 C ATOM 0 H VAL A 70 -7.853 -12.341 3.085 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.738 -11.820 3.366 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.497 -14.493 2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.881 -15.208 2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.617 -14.667 3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.425 -13.592 2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.612 -14.311 0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.100 -12.647 0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.375 -13.055 0.683 1.00 0.00 H new ATOM 1069 N ILE A 71 -10.593 -12.852 5.744 1.00 0.00 N ATOM 1070 CA ILE A 71 -10.392 -13.247 7.154 1.00 0.00 C ATOM 1071 C ILE A 71 -10.486 -14.780 7.332 1.00 0.00 C ATOM 1072 O ILE A 71 -11.384 -15.424 6.787 1.00 0.00 O ATOM 1073 CB ILE A 71 -11.361 -12.465 8.076 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -11.055 -10.947 8.034 1.00 0.00 C ATOM 1075 CG2 ILE A 71 -11.259 -12.956 9.534 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -12.215 -10.069 8.510 1.00 0.00 C ATOM 0 H ILE A 71 -11.504 -12.433 5.555 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.380 -12.977 7.454 1.00 0.00 H new ATOM 0 HB ILE A 71 -12.372 -12.643 7.708 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.181 -10.745 8.653 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.794 -10.667 7.013 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -11.950 -12.389 10.158 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.513 -14.015 9.580 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.241 -12.811 9.896 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.925 -9.020 8.452 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.085 -10.241 7.876 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.462 -10.320 9.541 1.00 0.00 H new ATOM 1088 N HIS A 72 -9.562 -15.374 8.095 1.00 0.00 N ATOM 1089 CA HIS A 72 -9.291 -16.820 8.120 1.00 0.00 C ATOM 1090 C HIS A 72 -8.501 -17.229 9.391 1.00 0.00 C ATOM 1091 O HIS A 72 -7.295 -17.489 9.326 1.00 0.00 O ATOM 1092 CB HIS A 72 -8.555 -17.209 6.811 1.00 0.00 C ATOM 1093 CG HIS A 72 -9.427 -17.811 5.744 1.00 0.00 C ATOM 1094 ND1 HIS A 72 -9.791 -19.132 5.645 1.00 0.00 N ATOM 1095 CD2 HIS A 72 -9.891 -17.178 4.626 1.00 0.00 C ATOM 1096 CE1 HIS A 72 -10.474 -19.292 4.500 1.00 0.00 C ATOM 1097 NE2 HIS A 72 -10.568 -18.122 3.839 1.00 0.00 N ATOM 0 H HIS A 72 -8.963 -14.848 8.732 1.00 0.00 H new ATOM 0 HA HIS A 72 -10.231 -17.370 8.169 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.073 -16.320 6.405 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.763 -17.918 7.054 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -9.760 -16.133 4.389 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -10.890 -20.228 4.157 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -11.036 -17.956 2.948 1.00 0.00 H new ATOM 1105 N ASN A 73 -9.165 -17.287 10.557 1.00 0.00 N ATOM 1106 CA ASN A 73 -8.603 -17.801 11.821 1.00 0.00 C ATOM 1107 C ASN A 73 -9.244 -19.124 12.269 1.00 0.00 C ATOM 1108 O ASN A 73 -8.518 -20.139 12.357 1.00 0.00 O ATOM 1109 CB ASN A 73 -8.688 -16.698 12.899 1.00 0.00 C ATOM 1110 CG ASN A 73 -7.709 -16.945 14.034 1.00 0.00 C ATOM 1111 OD1 ASN A 73 -6.538 -16.592 13.958 1.00 0.00 O ATOM 1112 ND2 ASN A 73 -8.130 -17.584 15.093 1.00 0.00 N ATOM 1113 OXT ASN A 73 -10.470 -19.165 12.529 1.00 0.00 O ATOM 0 H ASN A 73 -10.130 -16.971 10.651 1.00 0.00 H new ATOM 0 HA ASN A 73 -7.554 -18.049 11.658 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -8.482 -15.729 12.445 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.702 -16.655 13.296 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.484 -17.789 15.856 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -9.105 -17.878 15.157 1.00 0.00 H new ATOM 1121 N MET B 74 -2.520 19.652 -17.205 1.00 0.00 N ATOM 1122 CA MET B 74 -2.086 19.408 -18.597 1.00 0.00 C ATOM 1123 C MET B 74 -0.660 18.852 -18.740 1.00 0.00 C ATOM 1124 O MET B 74 -0.547 17.810 -19.390 1.00 0.00 O ATOM 1125 CB MET B 74 -2.352 20.628 -19.493 1.00 0.00 C ATOM 1126 CG MET B 74 -2.207 20.299 -20.980 1.00 0.00 C ATOM 1127 SD MET B 74 -2.514 21.730 -22.045 1.00 0.00 S ATOM 1128 CE MET B 74 -2.229 20.962 -23.660 1.00 0.00 C ATOM 0 HA MET B 74 -2.714 18.594 -18.959 1.00 0.00 H new ATOM 0 HB2 MET B 74 -3.357 21.003 -19.303 1.00 0.00 H new ATOM 0 HB3 MET B 74 -1.658 21.427 -19.231 1.00 0.00 H new ATOM 0 HG2 MET B 74 -1.202 19.920 -21.168 1.00 0.00 H new ATOM 0 HG3 MET B 74 -2.902 19.501 -21.241 1.00 0.00 H new ATOM 0 HE1 MET B 74 -2.375 21.703 -24.446 1.00 0.00 H new ATOM 0 HE2 MET B 74 -1.209 20.580 -23.706 1.00 0.00 H new ATOM 0 HE3 MET B 74 -2.931 20.140 -23.801 1.00 0.00 H new ATOM 1140 N PRO B 75 0.431 19.485 -18.244 1.00 0.00 N ATOM 1141 CA PRO B 75 1.792 19.031 -18.538 1.00 0.00 C ATOM 1142 C PRO B 75 2.175 17.747 -17.787 1.00 0.00 C ATOM 1143 O PRO B 75 1.807 17.536 -16.629 1.00 0.00 O ATOM 1144 CB PRO B 75 2.719 20.203 -18.197 1.00 0.00 C ATOM 1145 CG PRO B 75 1.948 20.950 -17.114 1.00 0.00 C ATOM 1146 CD PRO B 75 0.488 20.750 -17.517 1.00 0.00 C ATOM 0 HA PRO B 75 1.879 18.756 -19.589 1.00 0.00 H new ATOM 0 HB2 PRO B 75 3.688 19.859 -17.837 1.00 0.00 H new ATOM 0 HB3 PRO B 75 2.907 20.834 -19.066 1.00 0.00 H new ATOM 0 HG2 PRO B 75 2.151 20.543 -16.123 1.00 0.00 H new ATOM 0 HG3 PRO B 75 2.216 22.006 -17.086 1.00 0.00 H new ATOM 0 HD2 PRO B 75 -0.157 20.723 -16.639 1.00 0.00 H new ATOM 0 HD3 PRO B 75 0.141 21.573 -18.142 1.00 0.00 H new ATOM 1154 N LYS B 76 2.941 16.891 -18.473 1.00 0.00 N ATOM 1155 CA LYS B 76 3.372 15.568 -18.006 1.00 0.00 C ATOM 1156 C LYS B 76 4.592 15.639 -17.064 1.00 0.00 C ATOM 1157 O LYS B 76 5.507 16.441 -17.276 1.00 0.00 O ATOM 1158 CB LYS B 76 3.681 14.720 -19.255 1.00 0.00 C ATOM 1159 CG LYS B 76 3.852 13.226 -18.941 1.00 0.00 C ATOM 1160 CD LYS B 76 4.377 12.471 -20.162 1.00 0.00 C ATOM 1161 CE LYS B 76 4.531 10.985 -19.830 1.00 0.00 C ATOM 1162 NZ LYS B 76 5.072 10.234 -20.982 1.00 0.00 N ATOM 0 H LYS B 76 3.292 17.109 -19.406 1.00 0.00 H new ATOM 0 HA LYS B 76 2.576 15.115 -17.415 1.00 0.00 H new ATOM 0 HB2 LYS B 76 2.876 14.843 -19.979 1.00 0.00 H new ATOM 0 HB3 LYS B 76 4.591 15.093 -19.724 1.00 0.00 H new ATOM 0 HG2 LYS B 76 4.542 13.102 -18.107 1.00 0.00 H new ATOM 0 HG3 LYS B 76 2.897 12.804 -18.630 1.00 0.00 H new ATOM 0 HD2 LYS B 76 3.691 12.596 -21.000 1.00 0.00 H new ATOM 0 HD3 LYS B 76 5.337 12.885 -20.471 1.00 0.00 H new ATOM 0 HE2 LYS B 76 5.194 10.868 -18.972 1.00 0.00 H new ATOM 0 HE3 LYS B 76 3.564 10.571 -19.544 1.00 0.00 H new ATOM 0 HZ1 LYS B 76 5.293 9.261 -20.689 1.00 0.00 H new ATOM 0 HZ2 LYS B 76 4.366 10.214 -21.746 1.00 0.00 H new ATOM 0 HZ3 LYS B 76 5.938 10.698 -21.323 1.00 0.00 H new ATOM 1176 N HIS B 77 4.663 14.762 -16.061 1.00 0.00 N ATOM 1177 CA HIS B 77 5.751 14.723 -15.074 1.00 0.00 C ATOM 1178 C HIS B 77 6.064 13.306 -14.550 1.00 0.00 C ATOM 1179 O HIS B 77 5.279 12.372 -14.739 1.00 0.00 O ATOM 1180 CB HIS B 77 5.464 15.731 -13.943 1.00 0.00 C ATOM 1181 CG HIS B 77 4.076 15.719 -13.340 1.00 0.00 C ATOM 1182 ND1 HIS B 77 3.511 16.751 -12.626 1.00 0.00 N ATOM 1183 CD2 HIS B 77 3.132 14.730 -13.413 1.00 0.00 C ATOM 1184 CE1 HIS B 77 2.260 16.397 -12.291 1.00 0.00 C ATOM 1185 NE2 HIS B 77 1.974 15.176 -12.771 1.00 0.00 N ATOM 0 H HIS B 77 3.955 14.045 -15.906 1.00 0.00 H new ATOM 0 HA HIS B 77 6.667 15.024 -15.582 1.00 0.00 H new ATOM 0 HB2 HIS B 77 6.182 15.553 -13.142 1.00 0.00 H new ATOM 0 HB3 HIS B 77 5.657 16.733 -14.327 1.00 0.00 H new ATOM 0 HD2 HIS B 77 3.261 13.768 -13.887 1.00 0.00 H new ATOM 0 HE1 HIS B 77 1.580 17.008 -11.716 1.00 0.00 H new ATOM 0 HE2 HIS B 77 1.090 14.675 -12.684 1.00 0.00 H new ATOM 1193 N GLU B 78 7.244 13.154 -13.935 1.00 0.00 N ATOM 1194 CA GLU B 78 7.879 11.870 -13.622 1.00 0.00 C ATOM 1195 C GLU B 78 8.080 11.677 -12.108 1.00 0.00 C ATOM 1196 O GLU B 78 8.413 12.620 -11.390 1.00 0.00 O ATOM 1197 CB GLU B 78 9.254 11.796 -14.316 1.00 0.00 C ATOM 1198 CG GLU B 78 9.234 12.095 -15.825 1.00 0.00 C ATOM 1199 CD GLU B 78 10.577 11.755 -16.470 1.00 0.00 C ATOM 1200 OE1 GLU B 78 10.929 10.561 -16.539 1.00 0.00 O ATOM 1201 OE2 GLU B 78 11.315 12.664 -16.919 1.00 0.00 O ATOM 0 H GLU B 78 7.802 13.952 -13.631 1.00 0.00 H new ATOM 0 HA GLU B 78 7.218 11.082 -13.981 1.00 0.00 H new ATOM 0 HB2 GLU B 78 9.929 12.500 -13.830 1.00 0.00 H new ATOM 0 HB3 GLU B 78 9.669 10.800 -14.163 1.00 0.00 H new ATOM 0 HG2 GLU B 78 8.441 11.519 -16.303 1.00 0.00 H new ATOM 0 HG3 GLU B 78 9.005 13.148 -15.987 1.00 0.00 H new ATOM 1208 N PHE B 79 7.944 10.433 -11.639 1.00 0.00 N ATOM 1209 CA PHE B 79 8.129 9.992 -10.249 1.00 0.00 C ATOM 1210 C PHE B 79 8.820 8.613 -10.205 1.00 0.00 C ATOM 1211 O PHE B 79 8.747 7.845 -11.165 1.00 0.00 O ATOM 1212 CB PHE B 79 6.762 9.899 -9.542 1.00 0.00 C ATOM 1213 CG PHE B 79 5.946 11.179 -9.468 1.00 0.00 C ATOM 1214 CD1 PHE B 79 5.071 11.526 -10.518 1.00 0.00 C ATOM 1215 CD2 PHE B 79 6.021 12.001 -8.326 1.00 0.00 C ATOM 1216 CE1 PHE B 79 4.283 12.688 -10.429 1.00 0.00 C ATOM 1217 CE2 PHE B 79 5.222 13.155 -8.232 1.00 0.00 C ATOM 1218 CZ PHE B 79 4.354 13.501 -9.284 1.00 0.00 C ATOM 0 H PHE B 79 7.687 9.660 -12.253 1.00 0.00 H new ATOM 0 HA PHE B 79 8.758 10.721 -9.738 1.00 0.00 H new ATOM 0 HB2 PHE B 79 6.165 9.143 -10.053 1.00 0.00 H new ATOM 0 HB3 PHE B 79 6.928 9.541 -8.526 1.00 0.00 H new ATOM 0 HD1 PHE B 79 5.006 10.897 -11.394 1.00 0.00 H new ATOM 0 HD2 PHE B 79 6.694 11.744 -7.521 1.00 0.00 H new ATOM 0 HE1 PHE B 79 3.623 12.956 -11.241 1.00 0.00 H new ATOM 0 HE2 PHE B 79 5.275 13.777 -7.350 1.00 0.00 H new ATOM 0 HZ PHE B 79 3.744 14.389 -9.212 1.00 0.00 H new ATOM 1228 N SER B 80 9.450 8.242 -9.090 1.00 0.00 N ATOM 1229 CA SER B 80 10.139 6.948 -8.927 1.00 0.00 C ATOM 1230 C SER B 80 10.150 6.436 -7.479 1.00 0.00 C ATOM 1231 O SER B 80 10.122 7.232 -6.538 1.00 0.00 O ATOM 1232 CB SER B 80 11.565 7.049 -9.476 1.00 0.00 C ATOM 1233 OG SER B 80 12.135 5.766 -9.619 1.00 0.00 O ATOM 0 H SER B 80 9.501 8.834 -8.261 1.00 0.00 H new ATOM 0 HA SER B 80 9.571 6.213 -9.498 1.00 0.00 H new ATOM 0 HB2 SER B 80 11.554 7.557 -10.440 1.00 0.00 H new ATOM 0 HB3 SER B 80 12.177 7.652 -8.805 1.00 0.00 H new ATOM 0 HG SER B 80 11.422 5.101 -9.719 1.00 0.00 H new ATOM 1239 N VAL B 81 10.195 5.110 -7.301 1.00 0.00 N ATOM 1240 CA VAL B 81 9.943 4.395 -6.027 1.00 0.00 C ATOM 1241 C VAL B 81 10.935 3.246 -5.801 1.00 0.00 C ATOM 1242 O VAL B 81 11.605 2.796 -6.728 1.00 0.00 O ATOM 1243 CB VAL B 81 8.483 3.844 -5.927 1.00 0.00 C ATOM 1244 CG1 VAL B 81 7.559 4.848 -5.240 1.00 0.00 C ATOM 1245 CG2 VAL B 81 7.875 3.477 -7.291 1.00 0.00 C ATOM 0 H VAL B 81 10.416 4.473 -8.066 1.00 0.00 H new ATOM 0 HA VAL B 81 10.084 5.141 -5.245 1.00 0.00 H new ATOM 0 HB VAL B 81 8.562 2.933 -5.334 1.00 0.00 H new ATOM 0 HG11 VAL B 81 6.551 4.437 -5.185 1.00 0.00 H new ATOM 0 HG12 VAL B 81 7.924 5.049 -4.233 1.00 0.00 H new ATOM 0 HG13 VAL B 81 7.541 5.776 -5.811 1.00 0.00 H new ATOM 0 HG21 VAL B 81 6.862 3.102 -7.149 1.00 0.00 H new ATOM 0 HG22 VAL B 81 7.848 4.362 -7.927 1.00 0.00 H new ATOM 0 HG23 VAL B 81 8.484 2.707 -7.765 1.00 0.00 H new ATOM 1255 N ASP B 82 10.977 2.722 -4.571 1.00 0.00 N ATOM 1256 CA ASP B 82 11.632 1.466 -4.140 1.00 0.00 C ATOM 1257 C ASP B 82 10.954 0.187 -4.715 1.00 0.00 C ATOM 1258 O ASP B 82 10.968 -0.886 -4.114 1.00 0.00 O ATOM 1259 CB ASP B 82 11.667 1.502 -2.597 1.00 0.00 C ATOM 1260 CG ASP B 82 12.400 0.334 -1.923 1.00 0.00 C ATOM 1261 OD1 ASP B 82 13.656 0.296 -1.977 1.00 0.00 O ATOM 1262 OD2 ASP B 82 11.717 -0.506 -1.286 1.00 0.00 O ATOM 0 H ASP B 82 10.523 3.193 -3.788 1.00 0.00 H new ATOM 0 HA ASP B 82 12.644 1.406 -4.541 1.00 0.00 H new ATOM 0 HB2 ASP B 82 12.139 2.433 -2.284 1.00 0.00 H new ATOM 0 HB3 ASP B 82 10.641 1.525 -2.229 1.00 0.00 H new ATOM 1267 N MET B 83 10.319 0.303 -5.885 1.00 0.00 N ATOM 1268 CA MET B 83 9.517 -0.718 -6.568 1.00 0.00 C ATOM 1269 C MET B 83 10.391 -1.680 -7.381 1.00 0.00 C ATOM 1270 O MET B 83 10.729 -1.386 -8.523 1.00 0.00 O ATOM 1271 CB MET B 83 8.513 0.033 -7.461 1.00 0.00 C ATOM 1272 CG MET B 83 7.637 -0.822 -8.385 1.00 0.00 C ATOM 1273 SD MET B 83 6.188 0.059 -9.027 1.00 0.00 S ATOM 1274 CE MET B 83 7.001 1.216 -10.161 1.00 0.00 C ATOM 0 H MET B 83 10.354 1.173 -6.417 1.00 0.00 H new ATOM 0 HA MET B 83 8.995 -1.343 -5.843 1.00 0.00 H new ATOM 0 HB2 MET B 83 7.857 0.619 -6.817 1.00 0.00 H new ATOM 0 HB3 MET B 83 9.069 0.740 -8.077 1.00 0.00 H new ATOM 0 HG2 MET B 83 8.240 -1.172 -9.223 1.00 0.00 H new ATOM 0 HG3 MET B 83 7.303 -1.706 -7.841 1.00 0.00 H new ATOM 0 HE1 MET B 83 6.307 2.014 -10.426 1.00 0.00 H new ATOM 0 HE2 MET B 83 7.879 1.644 -9.677 1.00 0.00 H new ATOM 0 HE3 MET B 83 7.306 0.687 -11.064 1.00 0.00 H new ATOM 1284 N THR B 84 10.704 -2.856 -6.825 1.00 0.00 N ATOM 1285 CA THR B 84 11.262 -4.014 -7.559 1.00 0.00 C ATOM 1286 C THR B 84 10.205 -5.125 -7.698 1.00 0.00 C ATOM 1287 O THR B 84 10.509 -6.311 -7.828 1.00 0.00 O ATOM 1288 CB THR B 84 12.592 -4.411 -6.903 1.00 0.00 C ATOM 1289 OG1 THR B 84 13.304 -5.296 -7.730 1.00 0.00 O ATOM 1290 CG2 THR B 84 12.471 -4.992 -5.493 1.00 0.00 C ATOM 0 H THR B 84 10.576 -3.040 -5.830 1.00 0.00 H new ATOM 0 HA THR B 84 11.507 -3.769 -8.592 1.00 0.00 H new ATOM 0 HB THR B 84 13.139 -3.475 -6.786 1.00 0.00 H new ATOM 0 HG1 THR B 84 12.699 -5.991 -8.063 1.00 0.00 H new ATOM 0 HG21 THR B 84 13.463 -5.241 -5.116 1.00 0.00 H new ATOM 0 HG22 THR B 84 12.007 -4.257 -4.835 1.00 0.00 H new ATOM 0 HG23 THR B 84 11.857 -5.892 -5.522 1.00 0.00 H new ATOM 1298 N CYS B 85 8.936 -4.714 -7.649 1.00 0.00 N ATOM 1299 CA CYS B 85 7.762 -5.515 -7.352 1.00 0.00 C ATOM 1300 C CYS B 85 6.567 -5.174 -8.282 1.00 0.00 C ATOM 1301 O CYS B 85 6.142 -4.017 -8.386 1.00 0.00 O ATOM 1302 CB CYS B 85 7.481 -5.170 -5.884 1.00 0.00 C ATOM 1303 SG CYS B 85 5.946 -5.911 -5.271 1.00 0.00 S ATOM 0 H CYS B 85 8.692 -3.740 -7.830 1.00 0.00 H new ATOM 0 HA CYS B 85 7.917 -6.581 -7.516 1.00 0.00 H new ATOM 0 HB2 CYS B 85 8.314 -5.511 -5.269 1.00 0.00 H new ATOM 0 HB3 CYS B 85 7.426 -4.087 -5.774 1.00 0.00 H new ATOM 1308 N GLY B 86 5.964 -6.205 -8.885 1.00 0.00 N ATOM 1309 CA GLY B 86 4.718 -6.094 -9.653 1.00 0.00 C ATOM 1310 C GLY B 86 3.492 -5.863 -8.764 1.00 0.00 C ATOM 1311 O GLY B 86 2.517 -5.266 -9.222 1.00 0.00 O ATOM 0 H GLY B 86 6.334 -7.155 -8.853 1.00 0.00 H new ATOM 0 HA2 GLY B 86 4.806 -5.272 -10.363 1.00 0.00 H new ATOM 0 HA3 GLY B 86 4.573 -7.004 -10.235 1.00 0.00 H new ATOM 1315 N GLY B 87 3.540 -6.263 -7.488 1.00 0.00 N ATOM 1316 CA GLY B 87 2.501 -5.951 -6.500 1.00 0.00 C ATOM 1317 C GLY B 87 2.505 -4.473 -6.127 1.00 0.00 C ATOM 1318 O GLY B 87 1.444 -3.884 -5.951 1.00 0.00 O ATOM 0 H GLY B 87 4.308 -6.817 -7.109 1.00 0.00 H new ATOM 0 HA2 GLY B 87 1.524 -6.223 -6.900 1.00 0.00 H new ATOM 0 HA3 GLY B 87 2.657 -6.553 -5.605 1.00 0.00 H new ATOM 1322 N CYS B 88 3.677 -3.829 -6.106 1.00 0.00 N ATOM 1323 CA CYS B 88 3.783 -2.378 -5.983 1.00 0.00 C ATOM 1324 C CYS B 88 3.224 -1.667 -7.229 1.00 0.00 C ATOM 1325 O CYS B 88 2.461 -0.717 -7.076 1.00 0.00 O ATOM 1326 CB CYS B 88 5.235 -2.023 -5.657 1.00 0.00 C ATOM 1327 SG CYS B 88 5.386 -0.242 -5.331 1.00 0.00 S ATOM 0 H CYS B 88 4.578 -4.303 -6.174 1.00 0.00 H new ATOM 0 HA CYS B 88 3.164 -2.016 -5.162 1.00 0.00 H new ATOM 0 HB2 CYS B 88 5.569 -2.589 -4.788 1.00 0.00 H new ATOM 0 HB3 CYS B 88 5.881 -2.304 -6.488 1.00 0.00 H new ATOM 0 HG CYS B 88 5.692 0.376 -6.433 1.00 0.00 H new ATOM 1333 N ALA B 89 3.491 -2.153 -8.448 1.00 0.00 N ATOM 1334 CA ALA B 89 2.886 -1.611 -9.678 1.00 0.00 C ATOM 1335 C ALA B 89 1.345 -1.736 -9.697 1.00 0.00 C ATOM 1336 O ALA B 89 0.638 -0.790 -10.064 1.00 0.00 O ATOM 1337 CB ALA B 89 3.532 -2.307 -10.883 1.00 0.00 C ATOM 0 H ALA B 89 4.130 -2.931 -8.612 1.00 0.00 H new ATOM 0 HA ALA B 89 3.082 -0.540 -9.722 1.00 0.00 H new ATOM 0 HB1 ALA B 89 3.097 -1.919 -11.804 1.00 0.00 H new ATOM 0 HB2 ALA B 89 4.605 -2.117 -10.881 1.00 0.00 H new ATOM 0 HB3 ALA B 89 3.354 -3.381 -10.822 1.00 0.00 H new ATOM 1343 N GLU B 90 0.815 -2.869 -9.226 1.00 0.00 N ATOM 1344 CA GLU B 90 -0.618 -3.064 -8.980 1.00 0.00 C ATOM 1345 C GLU B 90 -1.132 -2.073 -7.921 1.00 0.00 C ATOM 1346 O GLU B 90 -2.130 -1.395 -8.153 1.00 0.00 O ATOM 1347 CB GLU B 90 -0.860 -4.523 -8.554 1.00 0.00 C ATOM 1348 CG GLU B 90 -2.334 -4.870 -8.287 1.00 0.00 C ATOM 1349 CD GLU B 90 -3.217 -4.921 -9.534 1.00 0.00 C ATOM 1350 OE1 GLU B 90 -2.691 -5.011 -10.670 1.00 0.00 O ATOM 1351 OE2 GLU B 90 -4.461 -4.973 -9.363 1.00 0.00 O ATOM 0 H GLU B 90 1.378 -3.689 -9.001 1.00 0.00 H new ATOM 0 HA GLU B 90 -1.176 -2.868 -9.896 1.00 0.00 H new ATOM 0 HB2 GLU B 90 -0.479 -5.184 -9.332 1.00 0.00 H new ATOM 0 HB3 GLU B 90 -0.282 -4.726 -7.652 1.00 0.00 H new ATOM 0 HG2 GLU B 90 -2.380 -5.837 -7.787 1.00 0.00 H new ATOM 0 HG3 GLU B 90 -2.747 -4.134 -7.597 1.00 0.00 H new ATOM 1358 N ALA B 91 -0.438 -1.927 -6.787 1.00 0.00 N ATOM 1359 CA ALA B 91 -0.810 -0.988 -5.730 1.00 0.00 C ATOM 1360 C ALA B 91 -0.796 0.470 -6.209 1.00 0.00 C ATOM 1361 O ALA B 91 -1.786 1.167 -6.002 1.00 0.00 O ATOM 1362 CB ALA B 91 0.096 -1.213 -4.512 1.00 0.00 C ATOM 0 H ALA B 91 0.404 -2.463 -6.578 1.00 0.00 H new ATOM 0 HA ALA B 91 -1.842 -1.183 -5.438 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -0.178 -0.515 -3.721 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -0.025 -2.235 -4.152 1.00 0.00 H new ATOM 0 HB3 ALA B 91 1.135 -1.049 -4.797 1.00 0.00 H new ATOM 1368 N VAL B 92 0.260 0.908 -6.901 1.00 0.00 N ATOM 1369 CA VAL B 92 0.356 2.214 -7.584 1.00 0.00 C ATOM 1370 C VAL B 92 -0.873 2.444 -8.465 1.00 0.00 C ATOM 1371 O VAL B 92 -1.490 3.502 -8.388 1.00 0.00 O ATOM 1372 CB VAL B 92 1.651 2.301 -8.438 1.00 0.00 C ATOM 1373 CG1 VAL B 92 1.641 3.429 -9.488 1.00 0.00 C ATOM 1374 CG2 VAL B 92 2.889 2.499 -7.548 1.00 0.00 C ATOM 0 H VAL B 92 1.105 0.347 -7.008 1.00 0.00 H new ATOM 0 HA VAL B 92 0.396 2.993 -6.822 1.00 0.00 H new ATOM 0 HB VAL B 92 1.692 1.349 -8.967 1.00 0.00 H new ATOM 0 HG11 VAL B 92 2.581 3.420 -10.040 1.00 0.00 H new ATOM 0 HG12 VAL B 92 0.812 3.275 -10.179 1.00 0.00 H new ATOM 0 HG13 VAL B 92 1.523 4.390 -8.988 1.00 0.00 H new ATOM 0 HG21 VAL B 92 3.781 2.556 -8.172 1.00 0.00 H new ATOM 0 HG22 VAL B 92 2.784 3.423 -6.979 1.00 0.00 H new ATOM 0 HG23 VAL B 92 2.981 1.658 -6.861 1.00 0.00 H new ATOM 1384 N SER B 93 -1.272 1.438 -9.250 1.00 0.00 N ATOM 1385 CA SER B 93 -2.459 1.524 -10.107 1.00 0.00 C ATOM 1386 C SER B 93 -3.742 1.712 -9.268 1.00 0.00 C ATOM 1387 O SER B 93 -4.465 2.697 -9.433 1.00 0.00 O ATOM 1388 CB SER B 93 -2.542 0.281 -11.019 1.00 0.00 C ATOM 1389 OG SER B 93 -1.358 0.047 -11.774 1.00 0.00 O ATOM 0 H SER B 93 -0.783 0.545 -9.309 1.00 0.00 H new ATOM 0 HA SER B 93 -2.370 2.404 -10.744 1.00 0.00 H new ATOM 0 HB2 SER B 93 -2.751 -0.596 -10.406 1.00 0.00 H new ATOM 0 HB3 SER B 93 -3.382 0.399 -11.704 1.00 0.00 H new ATOM 0 HG SER B 93 -0.617 -0.156 -11.166 1.00 0.00 H new ATOM 1395 N ARG B 94 -3.985 0.829 -8.288 1.00 0.00 N ATOM 1396 CA ARG B 94 -5.158 0.878 -7.399 1.00 0.00 C ATOM 1397 C ARG B 94 -5.227 2.147 -6.528 1.00 0.00 C ATOM 1398 O ARG B 94 -6.327 2.624 -6.249 1.00 0.00 O ATOM 1399 CB ARG B 94 -5.166 -0.361 -6.492 1.00 0.00 C ATOM 1400 CG ARG B 94 -5.423 -1.681 -7.238 1.00 0.00 C ATOM 1401 CD ARG B 94 -5.437 -2.818 -6.212 1.00 0.00 C ATOM 1402 NE ARG B 94 -5.449 -4.149 -6.834 1.00 0.00 N ATOM 1403 CZ ARG B 94 -5.809 -5.274 -6.236 1.00 0.00 C ATOM 1404 NH1 ARG B 94 -6.333 -5.301 -5.031 1.00 0.00 N ATOM 1405 NH2 ARG B 94 -5.635 -6.417 -6.856 1.00 0.00 N ATOM 0 H ARG B 94 -3.362 0.047 -8.087 1.00 0.00 H new ATOM 0 HA ARG B 94 -6.034 0.897 -8.047 1.00 0.00 H new ATOM 0 HB2 ARG B 94 -4.208 -0.427 -5.977 1.00 0.00 H new ATOM 0 HB3 ARG B 94 -5.931 -0.233 -5.727 1.00 0.00 H new ATOM 0 HG2 ARG B 94 -6.373 -1.638 -7.770 1.00 0.00 H new ATOM 0 HG3 ARG B 94 -4.647 -1.853 -7.984 1.00 0.00 H new ATOM 0 HD2 ARG B 94 -4.561 -2.731 -5.569 1.00 0.00 H new ATOM 0 HD3 ARG B 94 -6.314 -2.713 -5.573 1.00 0.00 H new ATOM 0 HE ARG B 94 -5.155 -4.212 -7.809 1.00 0.00 H new ATOM 0 HH11 ARG B 94 -6.477 -4.431 -4.518 1.00 0.00 H new ATOM 0 HH12 ARG B 94 -6.596 -6.192 -4.609 1.00 0.00 H new ATOM 0 HH21 ARG B 94 -5.226 -6.433 -7.790 1.00 0.00 H new ATOM 0 HH22 ARG B 94 -5.909 -7.289 -6.404 1.00 0.00 H new ATOM 1419 N VAL B 95 -4.080 2.683 -6.102 1.00 0.00 N ATOM 1420 CA VAL B 95 -3.941 3.929 -5.325 1.00 0.00 C ATOM 1421 C VAL B 95 -4.264 5.159 -6.188 1.00 0.00 C ATOM 1422 O VAL B 95 -5.026 6.023 -5.758 1.00 0.00 O ATOM 1423 CB VAL B 95 -2.517 4.032 -4.717 1.00 0.00 C ATOM 1424 CG1 VAL B 95 -2.130 5.446 -4.261 1.00 0.00 C ATOM 1425 CG2 VAL B 95 -2.362 3.092 -3.506 1.00 0.00 C ATOM 0 H VAL B 95 -3.180 2.245 -6.295 1.00 0.00 H new ATOM 0 HA VAL B 95 -4.661 3.903 -4.507 1.00 0.00 H new ATOM 0 HB VAL B 95 -1.852 3.744 -5.531 1.00 0.00 H new ATOM 0 HG11 VAL B 95 -1.121 5.432 -3.848 1.00 0.00 H new ATOM 0 HG12 VAL B 95 -2.164 6.125 -5.113 1.00 0.00 H new ATOM 0 HG13 VAL B 95 -2.829 5.786 -3.497 1.00 0.00 H new ATOM 0 HG21 VAL B 95 -1.355 3.185 -3.100 1.00 0.00 H new ATOM 0 HG22 VAL B 95 -3.088 3.363 -2.740 1.00 0.00 H new ATOM 0 HG23 VAL B 95 -2.533 2.062 -3.820 1.00 0.00 H new ATOM 1435 N LEU B 96 -3.725 5.241 -7.412 1.00 0.00 N ATOM 1436 CA LEU B 96 -3.989 6.358 -8.325 1.00 0.00 C ATOM 1437 C LEU B 96 -5.456 6.396 -8.776 1.00 0.00 C ATOM 1438 O LEU B 96 -6.027 7.481 -8.890 1.00 0.00 O ATOM 1439 CB LEU B 96 -3.019 6.285 -9.521 1.00 0.00 C ATOM 1440 CG LEU B 96 -1.569 6.706 -9.193 1.00 0.00 C ATOM 1441 CD1 LEU B 96 -0.668 6.430 -10.406 1.00 0.00 C ATOM 1442 CD2 LEU B 96 -1.463 8.196 -8.823 1.00 0.00 C ATOM 0 H LEU B 96 -3.095 4.536 -7.795 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.815 7.293 -7.792 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -3.010 5.265 -9.904 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -3.398 6.923 -10.320 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.249 6.122 -8.331 1.00 0.00 H new ATOM 0 HD11 LEU B 96 0.355 6.727 -10.175 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.692 5.366 -10.643 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -1.026 7.001 -11.263 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -0.425 8.443 -8.601 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -1.810 8.804 -9.659 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -2.079 8.398 -7.947 1.00 0.00 H new ATOM 1454 N ASN B 97 -6.107 5.243 -8.942 1.00 0.00 N ATOM 1455 CA ASN B 97 -7.523 5.172 -9.323 1.00 0.00 C ATOM 1456 C ASN B 97 -8.496 5.753 -8.268 1.00 0.00 C ATOM 1457 O ASN B 97 -9.611 6.140 -8.627 1.00 0.00 O ATOM 1458 CB ASN B 97 -7.872 3.723 -9.699 1.00 0.00 C ATOM 1459 CG ASN B 97 -7.191 3.248 -10.985 1.00 0.00 C ATOM 1460 OD1 ASN B 97 -6.603 4.010 -11.749 1.00 0.00 O ATOM 1461 ND2 ASN B 97 -7.283 1.970 -11.285 1.00 0.00 N ATOM 0 H ASN B 97 -5.669 4.330 -8.816 1.00 0.00 H new ATOM 0 HA ASN B 97 -7.659 5.818 -10.190 1.00 0.00 H new ATOM 0 HB2 ASN B 97 -7.585 3.064 -8.880 1.00 0.00 H new ATOM 0 HB3 ASN B 97 -8.952 3.636 -9.815 1.00 0.00 H new ATOM 0 HD21 ASN B 97 -6.868 1.617 -12.147 1.00 0.00 H new ATOM 0 HD22 ASN B 97 -7.770 1.332 -10.655 1.00 0.00 H new ATOM 1468 N LYS B 98 -8.081 5.922 -7.000 1.00 0.00 N ATOM 1469 CA LYS B 98 -8.867 6.652 -5.985 1.00 0.00 C ATOM 1470 C LYS B 98 -8.918 8.176 -6.252 1.00 0.00 C ATOM 1471 O LYS B 98 -9.932 8.825 -5.970 1.00 0.00 O ATOM 1472 CB LYS B 98 -8.322 6.339 -4.579 1.00 0.00 C ATOM 1473 CG LYS B 98 -8.715 4.920 -4.131 1.00 0.00 C ATOM 1474 CD LYS B 98 -8.177 4.619 -2.729 1.00 0.00 C ATOM 1475 CE LYS B 98 -8.695 3.268 -2.205 1.00 0.00 C ATOM 1476 NZ LYS B 98 -8.065 2.900 -0.913 1.00 0.00 N ATOM 0 H LYS B 98 -7.195 5.558 -6.649 1.00 0.00 H new ATOM 0 HA LYS B 98 -9.898 6.305 -6.049 1.00 0.00 H new ATOM 0 HB2 LYS B 98 -7.236 6.436 -4.577 1.00 0.00 H new ATOM 0 HB3 LYS B 98 -8.708 7.068 -3.866 1.00 0.00 H new ATOM 0 HG2 LYS B 98 -9.800 4.820 -4.137 1.00 0.00 H new ATOM 0 HG3 LYS B 98 -8.324 4.190 -4.839 1.00 0.00 H new ATOM 0 HD2 LYS B 98 -7.087 4.609 -2.751 1.00 0.00 H new ATOM 0 HD3 LYS B 98 -8.475 5.414 -2.045 1.00 0.00 H new ATOM 0 HE2 LYS B 98 -9.777 3.317 -2.081 1.00 0.00 H new ATOM 0 HE3 LYS B 98 -8.493 2.491 -2.942 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 -7.585 1.982 -1.010 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 -7.371 3.627 -0.646 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 -8.797 2.832 -0.177 1.00 0.00 H new ATOM 1490 N LEU B 99 -7.845 8.757 -6.805 1.00 0.00 N ATOM 1491 CA LEU B 99 -7.816 10.115 -7.378 1.00 0.00 C ATOM 1492 C LEU B 99 -8.514 10.162 -8.757 1.00 0.00 C ATOM 1493 O LEU B 99 -9.255 11.101 -9.050 1.00 0.00 O ATOM 1494 CB LEU B 99 -6.344 10.585 -7.355 1.00 0.00 C ATOM 1495 CG LEU B 99 -6.018 12.047 -7.733 1.00 0.00 C ATOM 1496 CD1 LEU B 99 -6.009 12.267 -9.249 1.00 0.00 C ATOM 1497 CD2 LEU B 99 -6.921 13.077 -7.040 1.00 0.00 C ATOM 0 H LEU B 99 -6.944 8.283 -6.869 1.00 0.00 H new ATOM 0 HA LEU B 99 -8.398 10.824 -6.788 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -5.959 10.411 -6.350 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -5.782 9.938 -8.028 1.00 0.00 H new ATOM 0 HG LEU B 99 -5.008 12.215 -7.359 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -5.775 13.310 -9.464 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -5.256 11.625 -9.705 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -6.990 12.024 -9.658 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.634 14.081 -7.353 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -7.960 12.894 -7.315 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.811 12.988 -5.959 1.00 0.00 H new ATOM 1509 N GLY B 100 -8.336 9.119 -9.579 1.00 0.00 N ATOM 1510 CA GLY B 100 -9.181 8.787 -10.737 1.00 0.00 C ATOM 1511 C GLY B 100 -8.768 9.470 -12.041 1.00 0.00 C ATOM 1512 O GLY B 100 -8.404 8.794 -13.008 1.00 0.00 O ATOM 0 H GLY B 100 -7.570 8.457 -9.452 1.00 0.00 H new ATOM 0 HA2 GLY B 100 -9.163 7.707 -10.886 1.00 0.00 H new ATOM 0 HA3 GLY B 100 -10.211 9.060 -10.509 1.00 0.00 H new ATOM 1516 N GLY B 101 -8.802 10.807 -12.072 1.00 0.00 N ATOM 1517 CA GLY B 101 -8.625 11.646 -13.269 1.00 0.00 C ATOM 1518 C GLY B 101 -7.168 11.785 -13.715 1.00 0.00 C ATOM 1519 O GLY B 101 -6.645 12.898 -13.782 1.00 0.00 O ATOM 0 H GLY B 101 -8.960 11.360 -11.230 1.00 0.00 H new ATOM 0 HA2 GLY B 101 -9.207 11.223 -14.088 1.00 0.00 H new ATOM 0 HA3 GLY B 101 -9.030 12.638 -13.069 1.00 0.00 H new ATOM 1523 N VAL B 102 -6.512 10.658 -13.984 1.00 0.00 N ATOM 1524 CA VAL B 102 -5.066 10.548 -14.247 1.00 0.00 C ATOM 1525 C VAL B 102 -4.762 9.580 -15.393 1.00 0.00 C ATOM 1526 O VAL B 102 -5.148 8.412 -15.361 1.00 0.00 O ATOM 1527 CB VAL B 102 -4.275 10.087 -12.992 1.00 0.00 C ATOM 1528 CG1 VAL B 102 -3.900 11.280 -12.105 1.00 0.00 C ATOM 1529 CG2 VAL B 102 -5.010 9.041 -12.131 1.00 0.00 C ATOM 0 H VAL B 102 -6.986 9.756 -14.028 1.00 0.00 H new ATOM 0 HA VAL B 102 -4.745 11.552 -14.526 1.00 0.00 H new ATOM 0 HB VAL B 102 -3.380 9.609 -13.390 1.00 0.00 H new ATOM 0 HG11 VAL B 102 -3.347 10.927 -11.235 1.00 0.00 H new ATOM 0 HG12 VAL B 102 -3.279 11.974 -12.672 1.00 0.00 H new ATOM 0 HG13 VAL B 102 -4.807 11.789 -11.777 1.00 0.00 H new ATOM 0 HG21 VAL B 102 -4.390 8.773 -11.276 1.00 0.00 H new ATOM 0 HG22 VAL B 102 -5.954 9.458 -11.779 1.00 0.00 H new ATOM 0 HG23 VAL B 102 -5.207 8.151 -12.729 1.00 0.00 H new ATOM 1539 N LYS B 103 -3.983 10.060 -16.364 1.00 0.00 N ATOM 1540 CA LYS B 103 -3.168 9.228 -17.251 1.00 0.00 C ATOM 1541 C LYS B 103 -1.885 8.834 -16.508 1.00 0.00 C ATOM 1542 O LYS B 103 -1.222 9.708 -15.944 1.00 0.00 O ATOM 1543 CB LYS B 103 -2.784 10.048 -18.491 1.00 0.00 C ATOM 1544 CG LYS B 103 -3.933 10.334 -19.466 1.00 0.00 C ATOM 1545 CD LYS B 103 -3.466 11.405 -20.459 1.00 0.00 C ATOM 1546 CE LYS B 103 -4.494 11.743 -21.541 1.00 0.00 C ATOM 1547 NZ LYS B 103 -3.939 12.733 -22.492 1.00 0.00 N ATOM 0 H LYS B 103 -3.899 11.058 -16.560 1.00 0.00 H new ATOM 0 HA LYS B 103 -3.725 8.339 -17.548 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -2.363 10.998 -18.162 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -1.997 9.519 -19.028 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -4.218 9.424 -19.995 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -4.814 10.677 -18.924 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -3.221 12.314 -19.909 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -2.548 11.065 -20.938 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -4.780 10.837 -22.075 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -5.399 12.140 -21.080 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -4.717 13.261 -22.937 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -3.319 13.394 -21.982 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -3.391 12.240 -23.226 1.00 0.00 H new ATOM 1561 N TYR B 104 -1.500 7.559 -16.536 1.00 0.00 N ATOM 1562 CA TYR B 104 -0.226 7.094 -15.980 1.00 0.00 C ATOM 1563 C TYR B 104 0.344 5.822 -16.635 1.00 0.00 C ATOM 1564 O TYR B 104 -0.391 4.931 -17.076 1.00 0.00 O ATOM 1565 CB TYR B 104 -0.314 6.962 -14.449 1.00 0.00 C ATOM 1566 CG TYR B 104 -1.315 5.944 -13.937 1.00 0.00 C ATOM 1567 CD1 TYR B 104 -0.945 4.593 -13.797 1.00 0.00 C ATOM 1568 CD2 TYR B 104 -2.614 6.353 -13.573 1.00 0.00 C ATOM 1569 CE1 TYR B 104 -1.871 3.653 -13.310 1.00 0.00 C ATOM 1570 CE2 TYR B 104 -3.540 5.422 -13.069 1.00 0.00 C ATOM 1571 CZ TYR B 104 -3.172 4.062 -12.945 1.00 0.00 C ATOM 1572 OH TYR B 104 -4.056 3.140 -12.480 1.00 0.00 O ATOM 0 H TYR B 104 -2.064 6.815 -16.946 1.00 0.00 H new ATOM 0 HA TYR B 104 0.499 7.869 -16.228 1.00 0.00 H new ATOM 0 HB2 TYR B 104 0.673 6.699 -14.067 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -0.568 7.937 -14.032 1.00 0.00 H new ATOM 0 HD1 TYR B 104 0.053 4.277 -14.064 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -2.900 7.389 -13.682 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -1.586 2.616 -13.215 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -4.529 5.745 -12.778 1.00 0.00 H new ATOM 0 HH TYR B 104 -4.907 3.579 -12.271 1.00 0.00 H new ATOM 1582 N ASP B 105 1.677 5.735 -16.655 1.00 0.00 N ATOM 1583 CA ASP B 105 2.454 4.643 -17.249 1.00 0.00 C ATOM 1584 C ASP B 105 3.647 4.259 -16.358 1.00 0.00 C ATOM 1585 O ASP B 105 4.393 5.124 -15.893 1.00 0.00 O ATOM 1586 CB ASP B 105 2.922 5.063 -18.652 1.00 0.00 C ATOM 1587 CG ASP B 105 3.618 3.916 -19.383 1.00 0.00 C ATOM 1588 OD1 ASP B 105 2.914 2.964 -19.794 1.00 0.00 O ATOM 1589 OD2 ASP B 105 4.856 3.963 -19.550 1.00 0.00 O ATOM 0 H ASP B 105 2.270 6.454 -16.240 1.00 0.00 H new ATOM 0 HA ASP B 105 1.821 3.759 -17.332 1.00 0.00 H new ATOM 0 HB2 ASP B 105 2.065 5.400 -19.236 1.00 0.00 H new ATOM 0 HB3 ASP B 105 3.604 5.909 -18.570 1.00 0.00 H new ATOM 1594 N ILE B 106 3.823 2.956 -16.122 1.00 0.00 N ATOM 1595 CA ILE B 106 4.733 2.395 -15.105 1.00 0.00 C ATOM 1596 C ILE B 106 5.913 1.671 -15.780 1.00 0.00 C ATOM 1597 O ILE B 106 5.712 0.908 -16.732 1.00 0.00 O ATOM 1598 CB ILE B 106 3.924 1.456 -14.163 1.00 0.00 C ATOM 1599 CG1 ILE B 106 2.712 2.197 -13.534 1.00 0.00 C ATOM 1600 CG2 ILE B 106 4.814 0.873 -13.049 1.00 0.00 C ATOM 1601 CD1 ILE B 106 1.809 1.335 -12.640 1.00 0.00 C ATOM 0 H ILE B 106 3.324 2.237 -16.646 1.00 0.00 H new ATOM 0 HA ILE B 106 5.161 3.196 -14.502 1.00 0.00 H new ATOM 0 HB ILE B 106 3.552 0.634 -14.775 1.00 0.00 H new ATOM 0 HG12 ILE B 106 3.085 3.035 -12.945 1.00 0.00 H new ATOM 0 HG13 ILE B 106 2.106 2.616 -14.337 1.00 0.00 H new ATOM 0 HG21 ILE B 106 4.217 0.222 -12.410 1.00 0.00 H new ATOM 0 HG22 ILE B 106 5.626 0.298 -13.495 1.00 0.00 H new ATOM 0 HG23 ILE B 106 5.230 1.685 -12.453 1.00 0.00 H new ATOM 0 HD11 ILE B 106 0.994 1.945 -12.250 1.00 0.00 H new ATOM 0 HD12 ILE B 106 1.399 0.511 -13.224 1.00 0.00 H new ATOM 0 HD13 ILE B 106 2.392 0.936 -11.810 1.00 0.00 H new ATOM 1613 N ASP B 107 7.138 1.877 -15.289 1.00 0.00 N ATOM 1614 CA ASP B 107 8.356 1.207 -15.766 1.00 0.00 C ATOM 1615 C ASP B 107 9.120 0.540 -14.615 1.00 0.00 C ATOM 1616 O ASP B 107 9.727 1.215 -13.784 1.00 0.00 O ATOM 1617 CB ASP B 107 9.270 2.198 -16.506 1.00 0.00 C ATOM 1618 CG ASP B 107 10.230 1.448 -17.431 1.00 0.00 C ATOM 1619 OD1 ASP B 107 9.724 0.870 -18.425 1.00 0.00 O ATOM 1620 OD2 ASP B 107 11.451 1.414 -17.158 1.00 0.00 O ATOM 0 H ASP B 107 7.317 2.532 -14.528 1.00 0.00 H new ATOM 0 HA ASP B 107 8.047 0.427 -16.462 1.00 0.00 H new ATOM 0 HB2 ASP B 107 8.666 2.896 -17.086 1.00 0.00 H new ATOM 0 HB3 ASP B 107 9.836 2.789 -15.785 1.00 0.00 H new ATOM 1625 N LEU B 108 9.114 -0.793 -14.565 1.00 0.00 N ATOM 1626 CA LEU B 108 9.787 -1.556 -13.510 1.00 0.00 C ATOM 1627 C LEU B 108 11.334 -1.571 -13.627 1.00 0.00 C ATOM 1628 O LEU B 108 11.976 -1.480 -12.577 1.00 0.00 O ATOM 1629 CB LEU B 108 9.142 -2.954 -13.441 1.00 0.00 C ATOM 1630 CG LEU B 108 9.600 -3.841 -12.267 1.00 0.00 C ATOM 1631 CD1 LEU B 108 9.238 -3.221 -10.913 1.00 0.00 C ATOM 1632 CD2 LEU B 108 8.945 -5.228 -12.370 1.00 0.00 C ATOM 0 H LEU B 108 8.642 -1.376 -15.256 1.00 0.00 H new ATOM 0 HA LEU B 108 9.635 -1.052 -12.555 1.00 0.00 H new ATOM 0 HB2 LEU B 108 8.060 -2.833 -13.381 1.00 0.00 H new ATOM 0 HB3 LEU B 108 9.353 -3.478 -14.373 1.00 0.00 H new ATOM 0 HG LEU B 108 10.685 -3.929 -12.329 1.00 0.00 H new ATOM 0 HD11 LEU B 108 9.577 -3.876 -10.111 1.00 0.00 H new ATOM 0 HD12 LEU B 108 9.722 -2.249 -10.817 1.00 0.00 H new ATOM 0 HD13 LEU B 108 8.157 -3.097 -10.847 1.00 0.00 H new ATOM 0 HD21 LEU B 108 9.274 -5.849 -11.536 1.00 0.00 H new ATOM 0 HD22 LEU B 108 7.861 -5.122 -12.337 1.00 0.00 H new ATOM 0 HD23 LEU B 108 9.235 -5.699 -13.309 1.00 0.00 H new ATOM 1644 N PRO B 109 11.966 -1.611 -14.824 1.00 0.00 N ATOM 1645 CA PRO B 109 13.424 -1.531 -14.958 1.00 0.00 C ATOM 1646 C PRO B 109 14.047 -0.223 -14.439 1.00 0.00 C ATOM 1647 O PRO B 109 15.160 -0.256 -13.913 1.00 0.00 O ATOM 1648 CB PRO B 109 13.721 -1.724 -16.447 1.00 0.00 C ATOM 1649 CG PRO B 109 12.520 -2.506 -16.965 1.00 0.00 C ATOM 1650 CD PRO B 109 11.381 -1.952 -16.115 1.00 0.00 C ATOM 0 HA PRO B 109 13.878 -2.300 -14.333 1.00 0.00 H new ATOM 0 HB2 PRO B 109 13.826 -0.768 -16.960 1.00 0.00 H new ATOM 0 HB3 PRO B 109 14.651 -2.272 -16.601 1.00 0.00 H new ATOM 0 HG2 PRO B 109 12.353 -2.337 -18.029 1.00 0.00 H new ATOM 0 HG3 PRO B 109 12.644 -3.580 -16.828 1.00 0.00 H new ATOM 0 HD2 PRO B 109 10.936 -1.075 -16.585 1.00 0.00 H new ATOM 0 HD3 PRO B 109 10.587 -2.690 -16.000 1.00 0.00 H new ATOM 1658 N ASN B 110 13.365 0.925 -14.564 1.00 0.00 N ATOM 1659 CA ASN B 110 13.781 2.190 -13.926 1.00 0.00 C ATOM 1660 C ASN B 110 13.210 2.365 -12.499 1.00 0.00 C ATOM 1661 O ASN B 110 13.784 3.093 -11.692 1.00 0.00 O ATOM 1662 CB ASN B 110 13.357 3.365 -14.822 1.00 0.00 C ATOM 1663 CG ASN B 110 14.085 4.659 -14.454 1.00 0.00 C ATOM 1664 OD1 ASN B 110 13.756 5.332 -13.486 1.00 0.00 O ATOM 1665 ND2 ASN B 110 15.100 5.046 -15.199 1.00 0.00 N ATOM 0 H ASN B 110 12.508 1.006 -15.111 1.00 0.00 H new ATOM 0 HA ASN B 110 14.865 2.166 -13.818 1.00 0.00 H new ATOM 0 HB2 ASN B 110 13.561 3.118 -15.864 1.00 0.00 H new ATOM 0 HB3 ASN B 110 12.281 3.517 -14.735 1.00 0.00 H new ATOM 0 HD21 ASN B 110 15.606 5.901 -14.968 1.00 0.00 H new ATOM 0 HD22 ASN B 110 15.380 4.491 -16.007 1.00 0.00 H new ATOM 1672 N LYS B 111 12.081 1.702 -12.207 1.00 0.00 N ATOM 1673 CA LYS B 111 11.244 1.806 -10.993 1.00 0.00 C ATOM 1674 C LYS B 111 10.367 3.085 -10.993 1.00 0.00 C ATOM 1675 O LYS B 111 10.013 3.634 -9.942 1.00 0.00 O ATOM 1676 CB LYS B 111 12.061 1.616 -9.698 1.00 0.00 C ATOM 1677 CG LYS B 111 13.028 0.420 -9.741 1.00 0.00 C ATOM 1678 CD LYS B 111 13.615 0.159 -8.351 1.00 0.00 C ATOM 1679 CE LYS B 111 14.622 -0.991 -8.410 1.00 0.00 C ATOM 1680 NZ LYS B 111 15.246 -1.219 -7.091 1.00 0.00 N ATOM 0 H LYS B 111 11.695 1.024 -12.864 1.00 0.00 H new ATOM 0 HA LYS B 111 10.543 0.972 -11.017 1.00 0.00 H new ATOM 0 HB2 LYS B 111 12.631 2.525 -9.503 1.00 0.00 H new ATOM 0 HB3 LYS B 111 11.374 1.485 -8.862 1.00 0.00 H new ATOM 0 HG2 LYS B 111 12.503 -0.468 -10.094 1.00 0.00 H new ATOM 0 HG3 LYS B 111 13.831 0.619 -10.451 1.00 0.00 H new ATOM 0 HD2 LYS B 111 14.103 1.060 -7.979 1.00 0.00 H new ATOM 0 HD3 LYS B 111 12.816 -0.083 -7.650 1.00 0.00 H new ATOM 0 HE2 LYS B 111 14.121 -1.901 -8.741 1.00 0.00 H new ATOM 0 HE3 LYS B 111 15.393 -0.766 -9.147 1.00 0.00 H new ATOM 0 HZ1 LYS B 111 15.925 -2.004 -7.159 1.00 0.00 H new ATOM 0 HZ2 LYS B 111 15.743 -0.357 -6.788 1.00 0.00 H new ATOM 0 HZ3 LYS B 111 14.510 -1.457 -6.395 1.00 0.00 H new ATOM 1694 N LYS B 112 10.038 3.579 -12.193 1.00 0.00 N ATOM 1695 CA LYS B 112 9.428 4.875 -12.482 1.00 0.00 C ATOM 1696 C LYS B 112 7.900 4.793 -12.689 1.00 0.00 C ATOM 1697 O LYS B 112 7.368 3.765 -13.110 1.00 0.00 O ATOM 1698 CB LYS B 112 10.172 5.409 -13.720 1.00 0.00 C ATOM 1699 CG LYS B 112 9.665 6.739 -14.292 1.00 0.00 C ATOM 1700 CD LYS B 112 10.588 7.276 -15.392 1.00 0.00 C ATOM 1701 CE LYS B 112 11.922 7.768 -14.816 1.00 0.00 C ATOM 1702 NZ LYS B 112 12.671 8.573 -15.802 1.00 0.00 N ATOM 0 H LYS B 112 10.204 3.043 -13.045 1.00 0.00 H new ATOM 0 HA LYS B 112 9.530 5.554 -11.635 1.00 0.00 H new ATOM 0 HB2 LYS B 112 11.225 5.525 -13.463 1.00 0.00 H new ATOM 0 HB3 LYS B 112 10.117 4.655 -14.505 1.00 0.00 H new ATOM 0 HG2 LYS B 112 8.661 6.602 -14.695 1.00 0.00 H new ATOM 0 HG3 LYS B 112 9.589 7.474 -13.490 1.00 0.00 H new ATOM 0 HD2 LYS B 112 10.775 6.493 -16.127 1.00 0.00 H new ATOM 0 HD3 LYS B 112 10.093 8.093 -15.917 1.00 0.00 H new ATOM 0 HE2 LYS B 112 11.736 8.365 -13.923 1.00 0.00 H new ATOM 0 HE3 LYS B 112 12.525 6.913 -14.509 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 13.350 9.185 -15.306 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 13.183 7.940 -16.449 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 12.008 9.161 -16.346 1.00 0.00 H new ATOM 1716 N VAL B 113 7.210 5.902 -12.430 1.00 0.00 N ATOM 1717 CA VAL B 113 5.795 6.142 -12.754 1.00 0.00 C ATOM 1718 C VAL B 113 5.709 7.543 -13.362 1.00 0.00 C ATOM 1719 O VAL B 113 6.171 8.498 -12.744 1.00 0.00 O ATOM 1720 CB VAL B 113 4.890 6.080 -11.500 1.00 0.00 C ATOM 1721 CG1 VAL B 113 3.404 6.226 -11.880 1.00 0.00 C ATOM 1722 CG2 VAL B 113 5.081 4.778 -10.702 1.00 0.00 C ATOM 0 H VAL B 113 7.640 6.702 -11.965 1.00 0.00 H new ATOM 0 HA VAL B 113 5.447 5.370 -13.440 1.00 0.00 H new ATOM 0 HB VAL B 113 5.190 6.915 -10.868 1.00 0.00 H new ATOM 0 HG11 VAL B 113 2.792 6.179 -10.979 1.00 0.00 H new ATOM 0 HG12 VAL B 113 3.248 7.184 -12.375 1.00 0.00 H new ATOM 0 HG13 VAL B 113 3.120 5.418 -12.555 1.00 0.00 H new ATOM 0 HG21 VAL B 113 4.424 4.784 -9.833 1.00 0.00 H new ATOM 0 HG22 VAL B 113 4.838 3.924 -11.335 1.00 0.00 H new ATOM 0 HG23 VAL B 113 6.117 4.702 -10.373 1.00 0.00 H new ATOM 1732 N CYS B 114 5.133 7.676 -14.555 1.00 0.00 N ATOM 1733 CA CYS B 114 4.923 8.970 -15.216 1.00 0.00 C ATOM 1734 C CYS B 114 3.428 9.293 -15.275 1.00 0.00 C ATOM 1735 O CYS B 114 2.631 8.400 -15.554 1.00 0.00 O ATOM 1736 CB CYS B 114 5.552 8.916 -16.612 1.00 0.00 C ATOM 1737 SG CYS B 114 7.352 8.804 -16.434 1.00 0.00 S ATOM 0 H CYS B 114 4.794 6.882 -15.099 1.00 0.00 H new ATOM 0 HA CYS B 114 5.402 9.769 -14.650 1.00 0.00 H new ATOM 0 HB2 CYS B 114 5.173 8.056 -17.164 1.00 0.00 H new ATOM 0 HB3 CYS B 114 5.283 9.805 -17.182 1.00 0.00 H new ATOM 0 HG CYS B 114 7.902 8.755 -17.611 1.00 0.00 H new ATOM 1743 N ILE B 115 3.048 10.551 -15.025 1.00 0.00 N ATOM 1744 CA ILE B 115 1.640 10.999 -14.935 1.00 0.00 C ATOM 1745 C ILE B 115 1.367 12.181 -15.883 1.00 0.00 C ATOM 1746 O ILE B 115 2.230 13.044 -16.073 1.00 0.00 O ATOM 1747 CB ILE B 115 1.253 11.336 -13.463 1.00 0.00 C ATOM 1748 CG1 ILE B 115 1.528 10.124 -12.532 1.00 0.00 C ATOM 1749 CG2 ILE B 115 -0.222 11.793 -13.354 1.00 0.00 C ATOM 1750 CD1 ILE B 115 1.169 10.326 -11.054 1.00 0.00 C ATOM 0 H ILE B 115 3.718 11.306 -14.876 1.00 0.00 H new ATOM 0 HA ILE B 115 1.004 10.175 -15.259 1.00 0.00 H new ATOM 0 HB ILE B 115 1.878 12.168 -13.138 1.00 0.00 H new ATOM 0 HG12 ILE B 115 0.971 9.266 -12.908 1.00 0.00 H new ATOM 0 HG13 ILE B 115 2.586 9.871 -12.599 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -0.457 12.020 -12.314 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -0.373 12.685 -13.963 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -0.877 10.997 -13.709 1.00 0.00 H new ATOM 0 HD11 ILE B 115 1.401 9.419 -10.496 1.00 0.00 H new ATOM 0 HD12 ILE B 115 1.745 11.158 -10.650 1.00 0.00 H new ATOM 0 HD13 ILE B 115 0.105 10.544 -10.965 1.00 0.00 H new ATOM 1762 N GLU B 116 0.151 12.234 -16.441 1.00 0.00 N ATOM 1763 CA GLU B 116 -0.423 13.423 -17.078 1.00 0.00 C ATOM 1764 C GLU B 116 -1.849 13.679 -16.539 1.00 0.00 C ATOM 1765 O GLU B 116 -2.753 12.860 -16.700 1.00 0.00 O ATOM 1766 CB GLU B 116 -0.404 13.280 -18.614 1.00 0.00 C ATOM 1767 CG GLU B 116 -0.596 14.627 -19.317 1.00 0.00 C ATOM 1768 CD GLU B 116 -1.062 14.463 -20.763 1.00 0.00 C ATOM 1769 OE1 GLU B 116 -0.222 14.375 -21.691 1.00 0.00 O ATOM 1770 OE2 GLU B 116 -2.284 14.451 -21.017 1.00 0.00 O ATOM 0 H GLU B 116 -0.476 11.430 -16.462 1.00 0.00 H new ATOM 0 HA GLU B 116 0.187 14.291 -16.828 1.00 0.00 H new ATOM 0 HB2 GLU B 116 0.543 12.840 -18.926 1.00 0.00 H new ATOM 0 HB3 GLU B 116 -1.192 12.593 -18.924 1.00 0.00 H new ATOM 0 HG2 GLU B 116 -1.326 15.221 -18.767 1.00 0.00 H new ATOM 0 HG3 GLU B 116 0.343 15.181 -19.300 1.00 0.00 H new ATOM 1777 N SER B 117 -2.082 14.814 -15.884 1.00 0.00 N ATOM 1778 CA SER B 117 -3.380 15.170 -15.289 1.00 0.00 C ATOM 1779 C SER B 117 -3.601 16.692 -15.188 1.00 0.00 C ATOM 1780 O SER B 117 -2.672 17.479 -15.391 1.00 0.00 O ATOM 1781 CB SER B 117 -3.451 14.518 -13.899 1.00 0.00 C ATOM 1782 OG SER B 117 -4.694 14.721 -13.246 1.00 0.00 O ATOM 0 H SER B 117 -1.366 15.528 -15.746 1.00 0.00 H new ATOM 0 HA SER B 117 -4.174 14.801 -15.938 1.00 0.00 H new ATOM 0 HB2 SER B 117 -3.271 13.447 -13.998 1.00 0.00 H new ATOM 0 HB3 SER B 117 -2.652 14.919 -13.276 1.00 0.00 H new ATOM 0 HG SER B 117 -5.315 14.006 -13.496 1.00 0.00 H new ATOM 1788 N GLU B 118 -4.827 17.116 -14.844 1.00 0.00 N ATOM 1789 CA GLU B 118 -5.150 18.491 -14.435 1.00 0.00 C ATOM 1790 C GLU B 118 -5.106 18.680 -12.901 1.00 0.00 C ATOM 1791 O GLU B 118 -5.313 19.786 -12.400 1.00 0.00 O ATOM 1792 CB GLU B 118 -6.529 18.906 -14.989 1.00 0.00 C ATOM 1793 CG GLU B 118 -6.759 18.619 -16.484 1.00 0.00 C ATOM 1794 CD GLU B 118 -5.610 19.086 -17.372 1.00 0.00 C ATOM 1795 OE1 GLU B 118 -5.333 20.302 -17.461 1.00 0.00 O ATOM 1796 OE2 GLU B 118 -4.933 18.238 -17.996 1.00 0.00 O ATOM 0 H GLU B 118 -5.639 16.499 -14.843 1.00 0.00 H new ATOM 0 HA GLU B 118 -4.382 19.138 -14.857 1.00 0.00 H new ATOM 0 HB2 GLU B 118 -7.301 18.392 -14.416 1.00 0.00 H new ATOM 0 HB3 GLU B 118 -6.663 19.974 -14.818 1.00 0.00 H new ATOM 0 HG2 GLU B 118 -6.904 17.548 -16.623 1.00 0.00 H new ATOM 0 HG3 GLU B 118 -7.678 19.109 -16.804 1.00 0.00 H new ATOM 1803 N HIS B 119 -4.837 17.622 -12.131 1.00 0.00 N ATOM 1804 CA HIS B 119 -4.614 17.697 -10.680 1.00 0.00 C ATOM 1805 C HIS B 119 -3.167 18.121 -10.331 1.00 0.00 C ATOM 1806 O HIS B 119 -2.233 17.916 -11.111 1.00 0.00 O ATOM 1807 CB HIS B 119 -4.990 16.350 -10.038 1.00 0.00 C ATOM 1808 CG HIS B 119 -6.473 16.054 -10.071 1.00 0.00 C ATOM 1809 ND1 HIS B 119 -7.449 16.668 -9.314 1.00 0.00 N ATOM 1810 CD2 HIS B 119 -7.102 15.103 -10.830 1.00 0.00 C ATOM 1811 CE1 HIS B 119 -8.629 16.100 -9.614 1.00 0.00 C ATOM 1812 NE2 HIS B 119 -8.474 15.138 -10.545 1.00 0.00 N ATOM 0 H HIS B 119 -4.766 16.674 -12.501 1.00 0.00 H new ATOM 0 HA HIS B 119 -5.257 18.475 -10.269 1.00 0.00 H new ATOM 0 HB2 HIS B 119 -4.457 15.551 -10.553 1.00 0.00 H new ATOM 0 HB3 HIS B 119 -4.650 16.344 -9.002 1.00 0.00 H new ATOM 0 HD2 HIS B 119 -6.621 14.437 -11.531 1.00 0.00 H new ATOM 0 HE1 HIS B 119 -9.574 16.377 -9.169 1.00 0.00 H new ATOM 0 HE2 HIS B 119 -9.204 14.556 -10.957 1.00 0.00 H new ATOM 1820 N SER B 120 -2.971 18.712 -9.152 1.00 0.00 N ATOM 1821 CA SER B 120 -1.681 19.224 -8.668 1.00 0.00 C ATOM 1822 C SER B 120 -0.685 18.103 -8.338 1.00 0.00 C ATOM 1823 O SER B 120 -1.044 17.096 -7.722 1.00 0.00 O ATOM 1824 CB SER B 120 -1.900 20.094 -7.420 1.00 0.00 C ATOM 1825 OG SER B 120 -0.706 20.714 -6.960 1.00 0.00 O ATOM 0 H SER B 120 -3.728 18.854 -8.483 1.00 0.00 H new ATOM 0 HA SER B 120 -1.251 19.817 -9.475 1.00 0.00 H new ATOM 0 HB2 SER B 120 -2.639 20.863 -7.645 1.00 0.00 H new ATOM 0 HB3 SER B 120 -2.314 19.478 -6.622 1.00 0.00 H new ATOM 0 HG SER B 120 -0.903 21.255 -6.167 1.00 0.00 H new ATOM 1831 N MET B 121 0.598 18.306 -8.658 1.00 0.00 N ATOM 1832 CA MET B 121 1.687 17.400 -8.264 1.00 0.00 C ATOM 1833 C MET B 121 1.818 17.222 -6.740 1.00 0.00 C ATOM 1834 O MET B 121 2.327 16.198 -6.285 1.00 0.00 O ATOM 1835 CB MET B 121 3.009 17.850 -8.912 1.00 0.00 C ATOM 1836 CG MET B 121 3.633 19.114 -8.310 1.00 0.00 C ATOM 1837 SD MET B 121 2.703 20.658 -8.487 1.00 0.00 S ATOM 1838 CE MET B 121 3.775 21.680 -7.456 1.00 0.00 C ATOM 0 H MET B 121 0.914 19.109 -9.202 1.00 0.00 H new ATOM 0 HA MET B 121 1.433 16.409 -8.640 1.00 0.00 H new ATOM 0 HB2 MET B 121 3.729 17.036 -8.834 1.00 0.00 H new ATOM 0 HB3 MET B 121 2.835 18.020 -9.974 1.00 0.00 H new ATOM 0 HG2 MET B 121 3.796 18.937 -7.247 1.00 0.00 H new ATOM 0 HG3 MET B 121 4.614 19.256 -8.764 1.00 0.00 H new ATOM 0 HE1 MET B 121 3.385 22.697 -7.421 1.00 0.00 H new ATOM 0 HE2 MET B 121 3.808 21.270 -6.447 1.00 0.00 H new ATOM 0 HE3 MET B 121 4.781 21.692 -7.876 1.00 0.00 H new ATOM 1848 N ASP B 122 1.336 18.184 -5.947 1.00 0.00 N ATOM 1849 CA ASP B 122 1.240 18.110 -4.483 1.00 0.00 C ATOM 1850 C ASP B 122 0.189 17.069 -4.034 1.00 0.00 C ATOM 1851 O ASP B 122 0.473 16.258 -3.147 1.00 0.00 O ATOM 1852 CB ASP B 122 0.925 19.529 -3.975 1.00 0.00 C ATOM 1853 CG ASP B 122 0.833 19.651 -2.452 1.00 0.00 C ATOM 1854 OD1 ASP B 122 1.885 19.794 -1.779 1.00 0.00 O ATOM 1855 OD2 ASP B 122 -0.308 19.677 -1.938 1.00 0.00 O ATOM 0 H ASP B 122 0.989 19.068 -6.319 1.00 0.00 H new ATOM 0 HA ASP B 122 2.180 17.767 -4.051 1.00 0.00 H new ATOM 0 HB2 ASP B 122 1.696 20.210 -4.336 1.00 0.00 H new ATOM 0 HB3 ASP B 122 -0.019 19.856 -4.411 1.00 0.00 H new ATOM 1860 N THR B 123 -0.977 17.036 -4.707 1.00 0.00 N ATOM 1861 CA THR B 123 -2.063 16.053 -4.518 1.00 0.00 C ATOM 1862 C THR B 123 -1.643 14.672 -5.005 1.00 0.00 C ATOM 1863 O THR B 123 -1.900 13.666 -4.342 1.00 0.00 O ATOM 1864 CB THR B 123 -3.320 16.480 -5.296 1.00 0.00 C ATOM 1865 OG1 THR B 123 -3.640 17.820 -5.019 1.00 0.00 O ATOM 1866 CG2 THR B 123 -4.546 15.633 -4.947 1.00 0.00 C ATOM 0 H THR B 123 -1.198 17.723 -5.428 1.00 0.00 H new ATOM 0 HA THR B 123 -2.280 16.012 -3.451 1.00 0.00 H new ATOM 0 HB THR B 123 -3.080 16.341 -6.350 1.00 0.00 H new ATOM 0 HG1 THR B 123 -4.441 18.076 -5.523 1.00 0.00 H new ATOM 0 HG21 THR B 123 -5.403 15.978 -5.525 1.00 0.00 H new ATOM 0 HG22 THR B 123 -4.346 14.588 -5.184 1.00 0.00 H new ATOM 0 HG23 THR B 123 -4.763 15.729 -3.883 1.00 0.00 H new ATOM 1874 N LEU B 124 -0.988 14.611 -6.167 1.00 0.00 N ATOM 1875 CA LEU B 124 -0.515 13.360 -6.762 1.00 0.00 C ATOM 1876 C LEU B 124 0.555 12.701 -5.883 1.00 0.00 C ATOM 1877 O LEU B 124 0.466 11.501 -5.640 1.00 0.00 O ATOM 1878 CB LEU B 124 -0.017 13.628 -8.195 1.00 0.00 C ATOM 1879 CG LEU B 124 -1.128 14.061 -9.179 1.00 0.00 C ATOM 1880 CD1 LEU B 124 -0.502 14.575 -10.481 1.00 0.00 C ATOM 1881 CD2 LEU B 124 -2.100 12.914 -9.492 1.00 0.00 C ATOM 0 H LEU B 124 -0.769 15.436 -6.726 1.00 0.00 H new ATOM 0 HA LEU B 124 -1.341 12.651 -6.821 1.00 0.00 H new ATOM 0 HB2 LEU B 124 0.748 14.404 -8.163 1.00 0.00 H new ATOM 0 HB3 LEU B 124 0.460 12.726 -8.577 1.00 0.00 H new ATOM 0 HG LEU B 124 -1.697 14.858 -8.699 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -1.291 14.878 -11.169 1.00 0.00 H new ATOM 0 HD12 LEU B 124 0.139 15.430 -10.264 1.00 0.00 H new ATOM 0 HD13 LEU B 124 0.092 13.783 -10.937 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -2.864 13.264 -10.187 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -1.552 12.085 -9.941 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -2.575 12.578 -8.570 1.00 0.00 H new ATOM 1893 N LEU B 125 1.505 13.466 -5.331 1.00 0.00 N ATOM 1894 CA LEU B 125 2.516 12.927 -4.414 1.00 0.00 C ATOM 1895 C LEU B 125 1.914 12.506 -3.060 1.00 0.00 C ATOM 1896 O LEU B 125 2.275 11.447 -2.552 1.00 0.00 O ATOM 1897 CB LEU B 125 3.666 13.944 -4.292 1.00 0.00 C ATOM 1898 CG LEU B 125 4.909 13.441 -3.526 1.00 0.00 C ATOM 1899 CD1 LEU B 125 5.484 12.136 -4.100 1.00 0.00 C ATOM 1900 CD2 LEU B 125 6.001 14.521 -3.581 1.00 0.00 C ATOM 0 H LEU B 125 1.594 14.467 -5.505 1.00 0.00 H new ATOM 0 HA LEU B 125 2.924 12.002 -4.822 1.00 0.00 H new ATOM 0 HB2 LEU B 125 3.973 14.243 -5.294 1.00 0.00 H new ATOM 0 HB3 LEU B 125 3.289 14.837 -3.794 1.00 0.00 H new ATOM 0 HG LEU B 125 4.593 13.238 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU B 125 6.355 11.835 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU B 125 4.727 11.353 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU B 125 5.778 12.293 -5.138 1.00 0.00 H new ATOM 0 HD21 LEU B 125 6.883 14.174 -3.042 1.00 0.00 H new ATOM 0 HD22 LEU B 125 6.265 14.719 -4.620 1.00 0.00 H new ATOM 0 HD23 LEU B 125 5.631 15.437 -3.120 1.00 0.00 H new ATOM 1912 N ALA B 126 0.939 13.249 -2.518 1.00 0.00 N ATOM 1913 CA ALA B 126 0.185 12.837 -1.323 1.00 0.00 C ATOM 1914 C ALA B 126 -0.627 11.547 -1.544 1.00 0.00 C ATOM 1915 O ALA B 126 -0.835 10.772 -0.606 1.00 0.00 O ATOM 1916 CB ALA B 126 -0.744 13.984 -0.904 1.00 0.00 C ATOM 0 H ALA B 126 0.650 14.152 -2.894 1.00 0.00 H new ATOM 0 HA ALA B 126 0.903 12.617 -0.533 1.00 0.00 H new ATOM 0 HB1 ALA B 126 -1.308 13.690 -0.019 1.00 0.00 H new ATOM 0 HB2 ALA B 126 -0.150 14.869 -0.678 1.00 0.00 H new ATOM 0 HB3 ALA B 126 -1.435 14.208 -1.717 1.00 0.00 H new ATOM 1922 N THR B 127 -1.088 11.313 -2.780 1.00 0.00 N ATOM 1923 CA THR B 127 -1.752 10.071 -3.209 1.00 0.00 C ATOM 1924 C THR B 127 -0.741 8.931 -3.304 1.00 0.00 C ATOM 1925 O THR B 127 -0.951 7.897 -2.679 1.00 0.00 O ATOM 1926 CB THR B 127 -2.527 10.294 -4.514 1.00 0.00 C ATOM 1927 OG1 THR B 127 -3.446 11.344 -4.304 1.00 0.00 O ATOM 1928 CG2 THR B 127 -3.332 9.063 -4.936 1.00 0.00 C ATOM 0 H THR B 127 -1.008 11.999 -3.530 1.00 0.00 H new ATOM 0 HA THR B 127 -2.486 9.778 -2.458 1.00 0.00 H new ATOM 0 HB THR B 127 -1.801 10.516 -5.296 1.00 0.00 H new ATOM 0 HG1 THR B 127 -2.972 12.202 -4.319 1.00 0.00 H new ATOM 0 HG21 THR B 127 -3.861 9.275 -5.865 1.00 0.00 H new ATOM 0 HG22 THR B 127 -2.657 8.221 -5.087 1.00 0.00 H new ATOM 0 HG23 THR B 127 -4.053 8.815 -4.157 1.00 0.00 H new ATOM 1936 N LEU B 128 0.379 9.115 -4.015 1.00 0.00 N ATOM 1937 CA LEU B 128 1.434 8.101 -4.172 1.00 0.00 C ATOM 1938 C LEU B 128 2.024 7.631 -2.832 1.00 0.00 C ATOM 1939 O LEU B 128 2.311 6.445 -2.681 1.00 0.00 O ATOM 1940 CB LEU B 128 2.544 8.654 -5.087 1.00 0.00 C ATOM 1941 CG LEU B 128 2.170 8.747 -6.583 1.00 0.00 C ATOM 1942 CD1 LEU B 128 3.228 9.576 -7.329 1.00 0.00 C ATOM 1943 CD2 LEU B 128 2.058 7.356 -7.230 1.00 0.00 C ATOM 0 H LEU B 128 0.582 9.986 -4.506 1.00 0.00 H new ATOM 0 HA LEU B 128 0.976 7.223 -4.627 1.00 0.00 H new ATOM 0 HB2 LEU B 128 2.823 9.647 -4.735 1.00 0.00 H new ATOM 0 HB3 LEU B 128 3.426 8.021 -4.987 1.00 0.00 H new ATOM 0 HG LEU B 128 1.196 9.230 -6.654 1.00 0.00 H new ATOM 0 HD11 LEU B 128 2.962 9.640 -8.384 1.00 0.00 H new ATOM 0 HD12 LEU B 128 3.271 10.579 -6.904 1.00 0.00 H new ATOM 0 HD13 LEU B 128 4.202 9.098 -7.229 1.00 0.00 H new ATOM 0 HD21 LEU B 128 1.794 7.464 -8.282 1.00 0.00 H new ATOM 0 HD22 LEU B 128 3.014 6.838 -7.148 1.00 0.00 H new ATOM 0 HD23 LEU B 128 1.287 6.778 -6.720 1.00 0.00 H new ATOM 1955 N LYS B 129 2.147 8.511 -1.835 1.00 0.00 N ATOM 1956 CA LYS B 129 2.628 8.169 -0.484 1.00 0.00 C ATOM 1957 C LYS B 129 1.718 7.185 0.297 1.00 0.00 C ATOM 1958 O LYS B 129 2.126 6.654 1.337 1.00 0.00 O ATOM 1959 CB LYS B 129 2.908 9.480 0.277 1.00 0.00 C ATOM 1960 CG LYS B 129 4.247 10.082 -0.178 1.00 0.00 C ATOM 1961 CD LYS B 129 4.511 11.471 0.411 1.00 0.00 C ATOM 1962 CE LYS B 129 5.948 11.889 0.075 1.00 0.00 C ATOM 1963 NZ LYS B 129 6.273 13.229 0.610 1.00 0.00 N ATOM 0 H LYS B 129 1.913 9.498 -1.940 1.00 0.00 H new ATOM 0 HA LYS B 129 3.553 7.602 -0.586 1.00 0.00 H new ATOM 0 HB2 LYS B 129 2.102 10.192 0.099 1.00 0.00 H new ATOM 0 HB3 LYS B 129 2.933 9.288 1.350 1.00 0.00 H new ATOM 0 HG2 LYS B 129 5.057 9.412 0.110 1.00 0.00 H new ATOM 0 HG3 LYS B 129 4.259 10.147 -1.266 1.00 0.00 H new ATOM 0 HD2 LYS B 129 3.804 12.194 0.004 1.00 0.00 H new ATOM 0 HD3 LYS B 129 4.366 11.456 1.491 1.00 0.00 H new ATOM 0 HE2 LYS B 129 6.644 11.156 0.484 1.00 0.00 H new ATOM 0 HE3 LYS B 129 6.083 11.888 -1.007 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 7.253 13.474 0.361 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 5.626 13.933 0.201 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 6.170 13.224 1.645 1.00 0.00 H new ATOM 1977 N LYS B 130 0.524 6.852 -0.216 1.00 0.00 N ATOM 1978 CA LYS B 130 -0.299 5.723 0.257 1.00 0.00 C ATOM 1979 C LYS B 130 0.255 4.332 -0.130 1.00 0.00 C ATOM 1980 O LYS B 130 -0.086 3.342 0.519 1.00 0.00 O ATOM 1981 CB LYS B 130 -1.743 5.877 -0.253 1.00 0.00 C ATOM 1982 CG LYS B 130 -2.452 7.124 0.298 1.00 0.00 C ATOM 1983 CD LYS B 130 -3.862 7.319 -0.276 1.00 0.00 C ATOM 1984 CE LYS B 130 -4.843 6.176 0.023 1.00 0.00 C ATOM 1985 NZ LYS B 130 -5.110 6.011 1.473 1.00 0.00 N ATOM 0 H LYS B 130 0.094 7.367 -0.984 1.00 0.00 H new ATOM 0 HA LYS B 130 -0.272 5.764 1.346 1.00 0.00 H new ATOM 0 HB2 LYS B 130 -1.733 5.924 -1.342 1.00 0.00 H new ATOM 0 HB3 LYS B 130 -2.315 4.991 0.022 1.00 0.00 H new ATOM 0 HG2 LYS B 130 -2.516 7.048 1.384 1.00 0.00 H new ATOM 0 HG3 LYS B 130 -1.850 8.005 0.075 1.00 0.00 H new ATOM 0 HD2 LYS B 130 -4.275 8.247 0.120 1.00 0.00 H new ATOM 0 HD3 LYS B 130 -3.786 7.440 -1.357 1.00 0.00 H new ATOM 0 HE2 LYS B 130 -5.783 6.365 -0.495 1.00 0.00 H new ATOM 0 HE3 LYS B 130 -4.441 5.245 -0.376 1.00 0.00 H new ATOM 0 HZ1 LYS B 130 -6.084 5.672 1.610 1.00 0.00 H new ATOM 0 HZ2 LYS B 130 -4.443 5.320 1.872 1.00 0.00 H new ATOM 0 HZ3 LYS B 130 -4.991 6.925 1.954 1.00 0.00 H new ATOM 1999 N THR B 131 1.101 4.231 -1.172 1.00 0.00 N ATOM 2000 CA THR B 131 1.652 2.953 -1.686 1.00 0.00 C ATOM 2001 C THR B 131 2.581 2.255 -0.696 1.00 0.00 C ATOM 2002 O THR B 131 2.659 1.028 -0.712 1.00 0.00 O ATOM 2003 CB THR B 131 2.406 3.134 -3.009 1.00 0.00 C ATOM 2004 OG1 THR B 131 3.482 4.021 -2.829 1.00 0.00 O ATOM 2005 CG2 THR B 131 1.511 3.629 -4.144 1.00 0.00 C ATOM 0 H THR B 131 1.429 5.045 -1.692 1.00 0.00 H new ATOM 0 HA THR B 131 0.775 2.325 -1.845 1.00 0.00 H new ATOM 0 HB THR B 131 2.773 2.150 -3.300 1.00 0.00 H new ATOM 0 HG1 THR B 131 3.141 4.936 -2.750 1.00 0.00 H new ATOM 0 HG21 THR B 131 2.103 3.737 -5.053 1.00 0.00 H new ATOM 0 HG22 THR B 131 0.710 2.910 -4.316 1.00 0.00 H new ATOM 0 HG23 THR B 131 1.081 4.594 -3.874 1.00 0.00 H new ATOM 2013 N GLY B 132 3.276 3.023 0.148 1.00 0.00 N ATOM 2014 CA GLY B 132 4.135 2.530 1.225 1.00 0.00 C ATOM 2015 C GLY B 132 5.559 2.181 0.796 1.00 0.00 C ATOM 2016 O GLY B 132 6.272 1.553 1.567 1.00 0.00 O ATOM 0 H GLY B 132 3.254 4.041 0.097 1.00 0.00 H new ATOM 0 HA2 GLY B 132 4.181 3.285 2.009 1.00 0.00 H new ATOM 0 HA3 GLY B 132 3.674 1.644 1.662 1.00 0.00 H new ATOM 2020 N LYS B 133 5.984 2.584 -0.404 1.00 0.00 N ATOM 2021 CA LYS B 133 7.383 2.544 -0.866 1.00 0.00 C ATOM 2022 C LYS B 133 7.932 3.977 -0.974 1.00 0.00 C ATOM 2023 O LYS B 133 7.175 4.893 -1.310 1.00 0.00 O ATOM 2024 CB LYS B 133 7.459 1.810 -2.225 1.00 0.00 C ATOM 2025 CG LYS B 133 7.745 0.296 -2.144 1.00 0.00 C ATOM 2026 CD LYS B 133 6.815 -0.547 -1.258 1.00 0.00 C ATOM 2027 CE LYS B 133 5.341 -0.395 -1.635 1.00 0.00 C ATOM 2028 NZ LYS B 133 4.468 -1.171 -0.717 1.00 0.00 N ATOM 0 H LYS B 133 5.347 2.960 -1.107 1.00 0.00 H new ATOM 0 HA LYS B 133 7.996 1.998 -0.149 1.00 0.00 H new ATOM 0 HB2 LYS B 133 6.516 1.957 -2.751 1.00 0.00 H new ATOM 0 HB3 LYS B 133 8.237 2.278 -2.828 1.00 0.00 H new ATOM 0 HG2 LYS B 133 7.708 -0.110 -3.155 1.00 0.00 H new ATOM 0 HG3 LYS B 133 8.766 0.164 -1.785 1.00 0.00 H new ATOM 0 HD2 LYS B 133 7.099 -1.596 -1.336 1.00 0.00 H new ATOM 0 HD3 LYS B 133 6.951 -0.256 -0.216 1.00 0.00 H new ATOM 0 HE2 LYS B 133 5.062 0.658 -1.603 1.00 0.00 H new ATOM 0 HE3 LYS B 133 5.188 -0.734 -2.660 1.00 0.00 H new ATOM 0 HZ1 LYS B 133 3.501 -0.790 -0.753 1.00 0.00 H new ATOM 0 HZ2 LYS B 133 4.458 -2.169 -1.009 1.00 0.00 H new ATOM 0 HZ3 LYS B 133 4.833 -1.098 0.254 1.00 0.00 H new ATOM 2042 N THR B 134 9.230 4.172 -0.705 1.00 0.00 N ATOM 2043 CA THR B 134 9.888 5.496 -0.685 1.00 0.00 C ATOM 2044 C THR B 134 9.804 6.179 -2.050 1.00 0.00 C ATOM 2045 O THR B 134 10.573 5.826 -2.940 1.00 0.00 O ATOM 2046 CB THR B 134 11.338 5.363 -0.207 1.00 0.00 C ATOM 2047 OG1 THR B 134 11.305 4.670 1.015 1.00 0.00 O ATOM 2048 CG2 THR B 134 11.987 6.726 0.043 1.00 0.00 C ATOM 0 H THR B 134 9.867 3.405 -0.491 1.00 0.00 H new ATOM 0 HA THR B 134 9.357 6.133 0.022 1.00 0.00 H new ATOM 0 HB THR B 134 11.918 4.848 -0.973 1.00 0.00 H new ATOM 0 HG1 THR B 134 12.218 4.562 1.355 1.00 0.00 H new ATOM 0 HG21 THR B 134 13.014 6.584 0.380 1.00 0.00 H new ATOM 0 HG22 THR B 134 11.985 7.305 -0.881 1.00 0.00 H new ATOM 0 HG23 THR B 134 11.425 7.262 0.808 1.00 0.00 H new ATOM 2056 N VAL B 135 8.884 7.133 -2.214 1.00 0.00 N ATOM 2057 CA VAL B 135 8.606 7.840 -3.488 1.00 0.00 C ATOM 2058 C VAL B 135 9.336 9.188 -3.605 1.00 0.00 C ATOM 2059 O VAL B 135 9.461 9.928 -2.630 1.00 0.00 O ATOM 2060 CB VAL B 135 7.083 7.993 -3.766 1.00 0.00 C ATOM 2061 CG1 VAL B 135 6.310 8.796 -2.710 1.00 0.00 C ATOM 2062 CG2 VAL B 135 6.801 8.607 -5.153 1.00 0.00 C ATOM 0 H VAL B 135 8.290 7.451 -1.449 1.00 0.00 H new ATOM 0 HA VAL B 135 9.015 7.197 -4.267 1.00 0.00 H new ATOM 0 HB VAL B 135 6.718 6.967 -3.725 1.00 0.00 H new ATOM 0 HG11 VAL B 135 5.258 8.848 -2.991 1.00 0.00 H new ATOM 0 HG12 VAL B 135 6.403 8.307 -1.741 1.00 0.00 H new ATOM 0 HG13 VAL B 135 6.719 9.804 -2.648 1.00 0.00 H new ATOM 0 HG21 VAL B 135 5.725 8.694 -5.301 1.00 0.00 H new ATOM 0 HG22 VAL B 135 7.256 9.596 -5.213 1.00 0.00 H new ATOM 0 HG23 VAL B 135 7.223 7.966 -5.927 1.00 0.00 H new ATOM 2072 N SER B 136 9.791 9.513 -4.822 1.00 0.00 N ATOM 2073 CA SER B 136 10.463 10.773 -5.186 1.00 0.00 C ATOM 2074 C SER B 136 9.975 11.301 -6.552 1.00 0.00 C ATOM 2075 O SER B 136 9.646 10.515 -7.440 1.00 0.00 O ATOM 2076 CB SER B 136 11.986 10.562 -5.261 1.00 0.00 C ATOM 2077 OG SER B 136 12.494 9.875 -4.127 1.00 0.00 O ATOM 0 H SER B 136 9.698 8.879 -5.616 1.00 0.00 H new ATOM 0 HA SER B 136 10.219 11.503 -4.415 1.00 0.00 H new ATOM 0 HB2 SER B 136 12.228 9.999 -6.162 1.00 0.00 H new ATOM 0 HB3 SER B 136 12.480 11.530 -5.348 1.00 0.00 H new ATOM 0 HG SER B 136 13.463 9.763 -4.220 1.00 0.00 H new ATOM 2083 N TYR B 137 9.960 12.624 -6.747 1.00 0.00 N ATOM 2084 CA TYR B 137 9.625 13.319 -8.007 1.00 0.00 C ATOM 2085 C TYR B 137 10.884 13.604 -8.853 1.00 0.00 C ATOM 2086 O TYR B 137 11.931 13.940 -8.294 1.00 0.00 O ATOM 2087 CB TYR B 137 8.899 14.624 -7.631 1.00 0.00 C ATOM 2088 CG TYR B 137 8.737 15.665 -8.727 1.00 0.00 C ATOM 2089 CD1 TYR B 137 7.643 15.613 -9.609 1.00 0.00 C ATOM 2090 CD2 TYR B 137 9.652 16.733 -8.820 1.00 0.00 C ATOM 2091 CE1 TYR B 137 7.433 16.647 -10.540 1.00 0.00 C ATOM 2092 CE2 TYR B 137 9.462 17.761 -9.763 1.00 0.00 C ATOM 2093 CZ TYR B 137 8.337 17.730 -10.616 1.00 0.00 C ATOM 2094 OH TYR B 137 8.115 18.739 -11.505 1.00 0.00 O ATOM 0 H TYR B 137 10.192 13.276 -5.998 1.00 0.00 H new ATOM 0 HA TYR B 137 8.984 12.688 -8.623 1.00 0.00 H new ATOM 0 HB2 TYR B 137 7.907 14.365 -7.261 1.00 0.00 H new ATOM 0 HB3 TYR B 137 9.438 15.085 -6.803 1.00 0.00 H new ATOM 0 HD1 TYR B 137 6.961 14.776 -9.572 1.00 0.00 H new ATOM 0 HD2 TYR B 137 10.507 16.763 -8.161 1.00 0.00 H new ATOM 0 HE1 TYR B 137 6.578 16.613 -11.199 1.00 0.00 H new ATOM 0 HE2 TYR B 137 10.174 18.570 -9.834 1.00 0.00 H new ATOM 0 HH TYR B 137 8.829 19.405 -11.429 1.00 0.00 H new ATOM 2104 N LEU B 138 10.790 13.506 -10.191 1.00 0.00 N ATOM 2105 CA LEU B 138 11.921 13.676 -11.125 1.00 0.00 C ATOM 2106 C LEU B 138 11.576 14.597 -12.323 1.00 0.00 C ATOM 2107 O LEU B 138 11.977 14.336 -13.466 1.00 0.00 O ATOM 2108 CB LEU B 138 12.327 12.271 -11.637 1.00 0.00 C ATOM 2109 CG LEU B 138 12.695 11.200 -10.589 1.00 0.00 C ATOM 2110 CD1 LEU B 138 12.877 9.859 -11.313 1.00 0.00 C ATOM 2111 CD2 LEU B 138 13.982 11.545 -9.830 1.00 0.00 C ATOM 0 H LEU B 138 9.910 13.303 -10.664 1.00 0.00 H new ATOM 0 HA LEU B 138 12.741 14.159 -10.594 1.00 0.00 H new ATOM 0 HB2 LEU B 138 11.504 11.883 -12.237 1.00 0.00 H new ATOM 0 HB3 LEU B 138 13.180 12.392 -12.305 1.00 0.00 H new ATOM 0 HG LEU B 138 11.890 11.149 -9.855 1.00 0.00 H new ATOM 0 HD11 LEU B 138 13.138 9.087 -10.589 1.00 0.00 H new ATOM 0 HD12 LEU B 138 11.948 9.587 -11.814 1.00 0.00 H new ATOM 0 HD13 LEU B 138 13.674 9.949 -12.051 1.00 0.00 H new ATOM 0 HD21 LEU B 138 14.198 10.761 -9.104 1.00 0.00 H new ATOM 0 HD22 LEU B 138 14.810 11.625 -10.535 1.00 0.00 H new ATOM 0 HD23 LEU B 138 13.855 12.495 -9.311 1.00 0.00 H new ATOM 2123 N GLY B 139 10.961 15.753 -12.053 1.00 0.00 N ATOM 2124 CA GLY B 139 10.730 16.830 -13.031 1.00 0.00 C ATOM 2125 C GLY B 139 9.612 16.587 -14.059 1.00 0.00 C ATOM 2126 O GLY B 139 8.881 15.593 -14.020 1.00 0.00 O ATOM 0 H GLY B 139 10.599 15.975 -11.125 1.00 0.00 H new ATOM 0 HA2 GLY B 139 10.500 17.745 -12.485 1.00 0.00 H new ATOM 0 HA3 GLY B 139 11.660 17.007 -13.572 1.00 0.00 H new ATOM 2130 N LEU B 140 9.488 17.535 -14.994 1.00 0.00 N ATOM 2131 CA LEU B 140 8.632 17.498 -16.178 1.00 0.00 C ATOM 2132 C LEU B 140 9.283 16.684 -17.313 1.00 0.00 C ATOM 2133 O LEU B 140 10.510 16.630 -17.412 1.00 0.00 O ATOM 2134 CB LEU B 140 8.400 18.959 -16.616 1.00 0.00 C ATOM 2135 CG LEU B 140 7.126 19.619 -16.049 1.00 0.00 C ATOM 2136 CD1 LEU B 140 7.136 19.702 -14.517 1.00 0.00 C ATOM 2137 CD2 LEU B 140 6.978 21.034 -16.626 1.00 0.00 C ATOM 0 H LEU B 140 10.019 18.404 -14.937 1.00 0.00 H new ATOM 0 HA LEU B 140 7.686 17.008 -15.946 1.00 0.00 H new ATOM 0 HB2 LEU B 140 9.263 19.553 -16.315 1.00 0.00 H new ATOM 0 HB3 LEU B 140 8.354 18.992 -17.705 1.00 0.00 H new ATOM 0 HG LEU B 140 6.284 18.992 -16.341 1.00 0.00 H new ATOM 0 HD11 LEU B 140 6.216 20.175 -14.172 1.00 0.00 H new ATOM 0 HD12 LEU B 140 7.207 18.698 -14.099 1.00 0.00 H new ATOM 0 HD13 LEU B 140 7.992 20.292 -14.190 1.00 0.00 H new ATOM 0 HD21 LEU B 140 6.077 21.498 -16.224 1.00 0.00 H new ATOM 0 HD22 LEU B 140 7.848 21.631 -16.352 1.00 0.00 H new ATOM 0 HD23 LEU B 140 6.904 20.978 -17.712 1.00 0.00 H new ATOM 2149 N GLU B 141 8.470 16.093 -18.195 1.00 0.00 N ATOM 2150 CA GLU B 141 8.910 15.418 -19.439 1.00 0.00 C ATOM 2151 C GLU B 141 8.474 16.166 -20.707 1.00 0.00 C ATOM 2152 O GLU B 141 9.268 16.211 -21.679 1.00 0.00 O ATOM 2153 CB GLU B 141 8.406 13.960 -19.452 1.00 0.00 C ATOM 2154 CG GLU B 141 8.948 13.203 -20.676 1.00 0.00 C ATOM 2155 CD GLU B 141 8.568 11.720 -20.708 1.00 0.00 C ATOM 2156 OE1 GLU B 141 9.284 10.877 -20.105 1.00 0.00 O ATOM 2157 OE2 GLU B 141 7.585 11.375 -21.407 1.00 0.00 O ATOM 2158 OXT GLU B 141 7.327 16.662 -20.748 1.00 0.00 O ATOM 0 H GLU B 141 7.458 16.066 -18.068 1.00 0.00 H new ATOM 0 HA GLU B 141 10.000 15.421 -19.445 1.00 0.00 H new ATOM 0 HB2 GLU B 141 8.719 13.454 -18.539 1.00 0.00 H new ATOM 0 HB3 GLU B 141 7.316 13.948 -19.465 1.00 0.00 H new ATOM 0 HG2 GLU B 141 8.576 13.683 -21.581 1.00 0.00 H new ATOM 0 HG3 GLU B 141 10.034 13.290 -20.693 1.00 0.00 H new