USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1152 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 TYR OH : rot 180:sc= 0.204 USER MOD Set 1.2: A 85 GLN : amide:sc= -0.277 X(o=-0.073,f=-0.03) USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0308 (180deg=-0.0677) USER MOD Single : A 1 MET N :NH3+ -145:sc= 1.26 (180deg=0.98) USER MOD Single : A 2 ASN : amide:sc= -0.139 K(o=-0.14,f=-3.1!) USER MOD Single : A 9 SER OG : rot 40:sc= 0.662 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -170:sc=-0.00195 (180deg=-0.107) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -170:sc= -0.0142 (180deg=-0.138) USER MOD Single : A 24 LYS NZ :NH3+ 166:sc= -0.0368 (180deg=-0.254) USER MOD Single : A 25 ASN : amide:sc= -0.221 K(o=-0.22,f=-1.7) USER MOD Single : A 28 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0228) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -69:sc= 0.961 USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= 0.826 (180deg=0.326) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0511 K(o=-0.051,f=-2.6!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 152:sc= 0.837 (180deg=0.201) USER MOD Single : A 66 LYS NZ :NH3+ 168:sc= -0.022 (180deg=-0.189) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -81:sc= 1.22 USER MOD Single : A 77 GLN : amide:sc= -0.0628 K(o=-0.063,f=-0.66) USER MOD Single : A 87 GLN :FLIP amide:sc= -0.435 F(o=-2.9!,f=-0.43) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot -163:sc= 0.981 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= -0.47 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ -153:sc= 0.262 (180deg=0.0536) USER MOD Single : A 116 SER OG : rot 80:sc= 0.734 USER MOD Single : A 126 SER OG : rot 5:sc= 1.24 USER MOD Single : A 129 HIS : no HD1:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= -0.0321 X(o=-0.032,f=0) USER MOD Single : A 133 HIS : no HD1:sc= -0.0172 X(o=-0.017,f=0) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.474 9.030 10.526 1.00 13.44 N ATOM 2 CA MET A 1 2.912 7.676 10.782 1.00 73.13 C ATOM 3 C MET A 1 3.103 6.757 9.561 1.00 74.11 C ATOM 4 O MET A 1 3.315 7.234 8.444 1.00 4.42 O ATOM 5 CB MET A 1 1.425 7.789 11.150 1.00 34.54 C ATOM 6 CG MET A 1 0.798 6.468 11.576 1.00 70.22 C ATOM 7 SD MET A 1 1.794 5.618 12.816 1.00 41.50 S ATOM 8 CE MET A 1 0.806 4.151 13.114 1.00 1.13 C ATOM 0 H1 MET A 1 3.878 9.410 11.406 1.00 13.44 H new ATOM 0 H2 MET A 1 4.218 8.966 9.802 1.00 13.44 H new ATOM 0 H3 MET A 1 2.719 9.662 10.191 1.00 13.44 H new ATOM 0 HA MET A 1 3.450 7.230 11.619 1.00 73.13 H new ATOM 0 HB2 MET A 1 1.314 8.511 11.959 1.00 34.54 H new ATOM 0 HB3 MET A 1 0.877 8.182 10.294 1.00 34.54 H new ATOM 0 HG2 MET A 1 -0.199 6.652 11.976 1.00 70.22 H new ATOM 0 HG3 MET A 1 0.678 5.825 10.704 1.00 70.22 H new ATOM 0 HE1 MET A 1 1.420 3.391 13.597 1.00 1.13 H new ATOM 0 HE2 MET A 1 -0.034 4.403 13.761 1.00 1.13 H new ATOM 0 HE3 MET A 1 0.431 3.766 12.166 1.00 1.13 H new ATOM 20 N ASN A 2 3.037 5.443 9.787 1.00 40.45 N ATOM 21 CA ASN A 2 3.265 4.444 8.731 1.00 73.10 C ATOM 22 C ASN A 2 2.207 4.511 7.609 1.00 54.24 C ATOM 23 O ASN A 2 1.057 4.900 7.832 1.00 51.34 O ATOM 24 CB ASN A 2 3.289 3.034 9.344 1.00 43.24 C ATOM 25 CG ASN A 2 3.615 1.958 8.321 1.00 30.21 C ATOM 26 OD1 ASN A 2 4.335 2.199 7.363 1.00 21.41 O ATOM 27 ND2 ASN A 2 3.084 0.766 8.510 1.00 5.54 N ATOM 0 H ASN A 2 2.826 5.040 10.700 1.00 40.45 H new ATOM 0 HA ASN A 2 4.229 4.671 8.276 1.00 73.10 H new ATOM 0 HB2 ASN A 2 4.026 3.003 10.146 1.00 43.24 H new ATOM 0 HB3 ASN A 2 2.319 2.821 9.794 1.00 43.24 H new ATOM 0 HD21 ASN A 2 3.270 0.014 7.847 1.00 5.54 H new ATOM 0 HD22 ASN A 2 2.487 0.596 9.319 1.00 5.54 H new ATOM 34 N ILE A 3 2.615 4.105 6.405 1.00 14.30 N ATOM 35 CA ILE A 3 1.733 4.086 5.233 1.00 64.32 C ATOM 36 C ILE A 3 2.007 2.848 4.357 1.00 33.44 C ATOM 37 O ILE A 3 3.150 2.573 3.984 1.00 64.01 O ATOM 38 CB ILE A 3 1.886 5.383 4.390 1.00 22.42 C ATOM 39 CG1 ILE A 3 1.044 5.308 3.101 1.00 44.23 C ATOM 40 CG2 ILE A 3 3.358 5.655 4.069 1.00 52.24 C ATOM 41 CD1 ILE A 3 1.109 6.561 2.249 1.00 44.40 C ATOM 0 H ILE A 3 3.563 3.781 6.214 1.00 14.30 H new ATOM 0 HA ILE A 3 0.707 4.035 5.598 1.00 64.32 H new ATOM 0 HB ILE A 3 1.512 6.216 4.985 1.00 22.42 H new ATOM 0 HG12 ILE A 3 1.382 4.459 2.507 1.00 44.23 H new ATOM 0 HG13 ILE A 3 0.005 5.116 3.368 1.00 44.23 H new ATOM 0 HG21 ILE A 3 3.439 6.568 3.478 1.00 52.24 H new ATOM 0 HG22 ILE A 3 3.917 5.773 4.997 1.00 52.24 H new ATOM 0 HG23 ILE A 3 3.767 4.819 3.502 1.00 52.24 H new ATOM 0 HD11 ILE A 3 0.491 6.430 1.361 1.00 44.40 H new ATOM 0 HD12 ILE A 3 0.742 7.411 2.824 1.00 44.40 H new ATOM 0 HD13 ILE A 3 2.141 6.744 1.949 1.00 44.40 H new ATOM 53 N VAL A 4 0.952 2.098 4.046 1.00 72.32 N ATOM 54 CA VAL A 4 1.070 0.870 3.251 1.00 70.40 C ATOM 55 C VAL A 4 0.541 1.076 1.821 1.00 54.00 C ATOM 56 O VAL A 4 -0.478 1.731 1.616 1.00 54.42 O ATOM 57 CB VAL A 4 0.289 -0.298 3.911 1.00 42.30 C ATOM 58 CG1 VAL A 4 0.505 -1.605 3.146 1.00 53.20 C ATOM 59 CG2 VAL A 4 0.676 -0.446 5.384 1.00 74.13 C ATOM 0 H VAL A 4 -0.002 2.318 4.333 1.00 72.32 H new ATOM 0 HA VAL A 4 2.130 0.621 3.208 1.00 70.40 H new ATOM 0 HB VAL A 4 -0.774 -0.063 3.867 1.00 42.30 H new ATOM 0 HG11 VAL A 4 -0.053 -2.406 3.630 1.00 53.20 H new ATOM 0 HG12 VAL A 4 0.156 -1.488 2.120 1.00 53.20 H new ATOM 0 HG13 VAL A 4 1.566 -1.853 3.142 1.00 53.20 H new ATOM 0 HG21 VAL A 4 0.116 -1.270 5.826 1.00 74.13 H new ATOM 0 HG22 VAL A 4 1.744 -0.650 5.461 1.00 74.13 H new ATOM 0 HG23 VAL A 4 0.444 0.477 5.916 1.00 74.13 H new ATOM 69 N ILE A 5 1.234 0.514 0.834 1.00 24.33 N ATOM 70 CA ILE A 5 0.800 0.619 -0.567 1.00 74.21 C ATOM 71 C ILE A 5 0.530 -0.770 -1.175 1.00 15.54 C ATOM 72 O ILE A 5 1.427 -1.605 -1.256 1.00 24.02 O ATOM 73 CB ILE A 5 1.851 1.368 -1.426 1.00 10.31 C ATOM 74 CG1 ILE A 5 2.113 2.770 -0.848 1.00 51.44 C ATOM 75 CG2 ILE A 5 1.392 1.462 -2.883 1.00 62.31 C ATOM 76 CD1 ILE A 5 3.166 3.557 -1.599 1.00 42.43 C ATOM 0 H ILE A 5 2.094 -0.017 0.971 1.00 24.33 H new ATOM 0 HA ILE A 5 -0.129 1.190 -0.572 1.00 74.21 H new ATOM 0 HB ILE A 5 2.783 0.803 -1.400 1.00 10.31 H new ATOM 0 HG12 ILE A 5 1.180 3.334 -0.852 1.00 51.44 H new ATOM 0 HG13 ILE A 5 2.421 2.671 0.193 1.00 51.44 H new ATOM 0 HG21 ILE A 5 2.144 1.991 -3.468 1.00 62.31 H new ATOM 0 HG22 ILE A 5 1.257 0.459 -3.288 1.00 62.31 H new ATOM 0 HG23 ILE A 5 0.447 2.003 -2.933 1.00 62.31 H new ATOM 0 HD11 ILE A 5 3.293 4.533 -1.131 1.00 42.43 H new ATOM 0 HD12 ILE A 5 4.112 3.016 -1.573 1.00 42.43 H new ATOM 0 HD13 ILE A 5 2.852 3.689 -2.634 1.00 42.43 H new ATOM 88 N VAL A 6 -0.712 -1.008 -1.592 1.00 72.43 N ATOM 89 CA VAL A 6 -1.106 -2.284 -2.204 1.00 5.13 C ATOM 90 C VAL A 6 -1.119 -2.182 -3.740 1.00 3.22 C ATOM 91 O VAL A 6 -1.955 -1.489 -4.323 1.00 50.01 O ATOM 92 CB VAL A 6 -2.504 -2.734 -1.707 1.00 55.43 C ATOM 93 CG1 VAL A 6 -2.893 -4.081 -2.314 1.00 50.52 C ATOM 94 CG2 VAL A 6 -2.540 -2.795 -0.179 1.00 63.30 C ATOM 0 H VAL A 6 -1.471 -0.331 -1.518 1.00 72.43 H new ATOM 0 HA VAL A 6 -0.367 -3.027 -1.904 1.00 5.13 H new ATOM 0 HB VAL A 6 -3.234 -1.995 -2.036 1.00 55.43 H new ATOM 0 HG11 VAL A 6 -3.878 -4.374 -1.949 1.00 50.52 H new ATOM 0 HG12 VAL A 6 -2.919 -3.997 -3.400 1.00 50.52 H new ATOM 0 HG13 VAL A 6 -2.160 -4.835 -2.026 1.00 50.52 H new ATOM 0 HG21 VAL A 6 -3.530 -3.113 0.149 1.00 63.30 H new ATOM 0 HG22 VAL A 6 -1.794 -3.507 0.174 1.00 63.30 H new ATOM 0 HG23 VAL A 6 -2.322 -1.808 0.230 1.00 63.30 H new ATOM 104 N VAL A 7 -0.187 -2.873 -4.394 1.00 42.01 N ATOM 105 CA VAL A 7 -0.054 -2.814 -5.857 1.00 52.13 C ATOM 106 C VAL A 7 -0.463 -4.143 -6.515 1.00 2.44 C ATOM 107 O VAL A 7 0.117 -5.189 -6.235 1.00 24.15 O ATOM 108 CB VAL A 7 1.403 -2.464 -6.261 1.00 42.04 C ATOM 109 CG1 VAL A 7 1.539 -2.314 -7.774 1.00 54.50 C ATOM 110 CG2 VAL A 7 1.873 -1.196 -5.549 1.00 43.41 C ATOM 0 H VAL A 7 0.491 -3.483 -3.937 1.00 42.01 H new ATOM 0 HA VAL A 7 -0.726 -2.032 -6.211 1.00 52.13 H new ATOM 0 HB VAL A 7 2.041 -3.291 -5.949 1.00 42.04 H new ATOM 0 HG11 VAL A 7 2.571 -2.069 -8.024 1.00 54.50 H new ATOM 0 HG12 VAL A 7 1.261 -3.250 -8.259 1.00 54.50 H new ATOM 0 HG13 VAL A 7 0.882 -1.516 -8.121 1.00 54.50 H new ATOM 0 HG21 VAL A 7 2.897 -0.970 -5.847 1.00 43.41 H new ATOM 0 HG22 VAL A 7 1.223 -0.364 -5.821 1.00 43.41 H new ATOM 0 HG23 VAL A 7 1.835 -1.349 -4.470 1.00 43.41 H new ATOM 120 N PHE A 8 -1.462 -4.092 -7.400 1.00 43.11 N ATOM 121 CA PHE A 8 -1.984 -5.299 -8.069 1.00 50.45 C ATOM 122 C PHE A 8 -1.193 -5.675 -9.343 1.00 64.33 C ATOM 123 O PHE A 8 -1.715 -6.368 -10.217 1.00 74.40 O ATOM 124 CB PHE A 8 -3.469 -5.102 -8.421 1.00 20.15 C ATOM 125 CG PHE A 8 -4.413 -5.271 -7.255 1.00 20.42 C ATOM 126 CD1 PHE A 8 -4.530 -4.290 -6.280 1.00 42.43 C ATOM 127 CD2 PHE A 8 -5.188 -6.420 -7.136 1.00 72.12 C ATOM 128 CE1 PHE A 8 -5.397 -4.451 -5.215 1.00 13.41 C ATOM 129 CE2 PHE A 8 -6.056 -6.583 -6.073 1.00 3.40 C ATOM 130 CZ PHE A 8 -6.161 -5.598 -5.113 1.00 31.34 C ATOM 0 H PHE A 8 -1.930 -3.228 -7.674 1.00 43.11 H new ATOM 0 HA PHE A 8 -1.867 -6.124 -7.366 1.00 50.45 H new ATOM 0 HB2 PHE A 8 -3.602 -4.104 -8.839 1.00 20.15 H new ATOM 0 HB3 PHE A 8 -3.743 -5.813 -9.201 1.00 20.15 H new ATOM 0 HD1 PHE A 8 -3.937 -3.390 -6.354 1.00 42.43 H new ATOM 0 HD2 PHE A 8 -5.110 -7.195 -7.884 1.00 72.12 H new ATOM 0 HE1 PHE A 8 -5.477 -3.680 -4.463 1.00 13.41 H new ATOM 0 HE2 PHE A 8 -6.651 -7.481 -5.994 1.00 3.40 H new ATOM 0 HZ PHE A 8 -6.840 -5.723 -4.282 1.00 31.34 H new ATOM 140 N SER A 9 0.060 -5.241 -9.444 1.00 1.43 N ATOM 141 CA SER A 9 0.909 -5.579 -10.601 1.00 53.14 C ATOM 142 C SER A 9 2.145 -6.374 -10.156 1.00 30.11 C ATOM 143 O SER A 9 3.087 -5.811 -9.601 1.00 32.44 O ATOM 144 CB SER A 9 1.343 -4.310 -11.360 1.00 32.00 C ATOM 145 OG SER A 9 2.133 -3.451 -10.548 1.00 34.00 O ATOM 0 H SER A 9 0.517 -4.655 -8.745 1.00 1.43 H new ATOM 0 HA SER A 9 0.318 -6.199 -11.275 1.00 53.14 H new ATOM 0 HB2 SER A 9 1.910 -4.593 -12.247 1.00 32.00 H new ATOM 0 HB3 SER A 9 0.459 -3.773 -11.704 1.00 32.00 H new ATOM 0 HG SER A 9 2.754 -3.987 -10.012 1.00 34.00 H new ATOM 151 N THR A 10 2.134 -7.684 -10.410 1.00 21.22 N ATOM 152 CA THR A 10 3.207 -8.586 -9.947 1.00 51.41 C ATOM 153 C THR A 10 4.583 -8.234 -10.535 1.00 22.24 C ATOM 154 O THR A 10 5.605 -8.381 -9.863 1.00 62.33 O ATOM 155 CB THR A 10 2.894 -10.065 -10.291 1.00 73.12 C ATOM 156 OG1 THR A 10 2.812 -10.242 -11.717 1.00 64.20 O ATOM 157 CG2 THR A 10 1.582 -10.513 -9.648 1.00 34.10 C ATOM 0 H THR A 10 1.395 -8.151 -10.935 1.00 21.22 H new ATOM 0 HA THR A 10 3.247 -8.452 -8.866 1.00 51.41 H new ATOM 0 HB THR A 10 3.705 -10.676 -9.895 1.00 73.12 H new ATOM 0 HG1 THR A 10 2.616 -11.181 -11.919 1.00 64.20 H new ATOM 0 HG21 THR A 10 1.387 -11.554 -9.906 1.00 34.10 H new ATOM 0 HG22 THR A 10 1.656 -10.415 -8.565 1.00 34.10 H new ATOM 0 HG23 THR A 10 0.766 -9.890 -10.014 1.00 34.10 H new ATOM 165 N ASP A 11 4.607 -7.780 -11.788 1.00 33.31 N ATOM 166 CA ASP A 11 5.866 -7.436 -12.464 1.00 23.41 C ATOM 167 C ASP A 11 6.547 -6.206 -11.832 1.00 4.41 C ATOM 168 O ASP A 11 5.979 -5.110 -11.798 1.00 32.33 O ATOM 169 CB ASP A 11 5.606 -7.188 -13.951 1.00 54.25 C ATOM 170 CG ASP A 11 5.032 -8.412 -14.639 1.00 1.32 C ATOM 171 OD1 ASP A 11 5.815 -9.300 -15.035 1.00 1.11 O ATOM 172 OD2 ASP A 11 3.796 -8.500 -14.772 1.00 51.53 O ATOM 0 H ASP A 11 3.773 -7.641 -12.358 1.00 33.31 H new ATOM 0 HA ASP A 11 6.546 -8.280 -12.345 1.00 23.41 H new ATOM 0 HB2 ASP A 11 4.916 -6.352 -14.064 1.00 54.25 H new ATOM 0 HB3 ASP A 11 6.537 -6.901 -14.439 1.00 54.25 H new ATOM 177 N GLU A 12 7.780 -6.395 -11.355 1.00 2.42 N ATOM 178 CA GLU A 12 8.536 -5.322 -10.690 1.00 2.31 C ATOM 179 C GLU A 12 8.836 -4.137 -11.628 1.00 13.11 C ATOM 180 O GLU A 12 9.215 -3.061 -11.171 1.00 64.12 O ATOM 181 CB GLU A 12 9.838 -5.880 -10.076 1.00 74.13 C ATOM 182 CG GLU A 12 10.720 -6.692 -11.032 1.00 24.12 C ATOM 183 CD GLU A 12 11.408 -5.853 -12.104 1.00 71.42 C ATOM 184 OE1 GLU A 12 12.335 -5.087 -11.767 1.00 32.23 O ATOM 185 OE2 GLU A 12 11.024 -5.958 -13.287 1.00 2.33 O ATOM 0 H GLU A 12 8.280 -7.282 -11.416 1.00 2.42 H new ATOM 0 HA GLU A 12 7.904 -4.934 -9.891 1.00 2.31 H new ATOM 0 HB2 GLU A 12 10.423 -5.046 -9.688 1.00 74.13 H new ATOM 0 HB3 GLU A 12 9.578 -6.510 -9.225 1.00 74.13 H new ATOM 0 HG2 GLU A 12 11.480 -7.216 -10.452 1.00 24.12 H new ATOM 0 HG3 GLU A 12 10.108 -7.452 -11.517 1.00 24.12 H new ATOM 192 N GLU A 13 8.658 -4.339 -12.932 1.00 75.55 N ATOM 193 CA GLU A 13 8.884 -3.283 -13.929 1.00 20.13 C ATOM 194 C GLU A 13 8.006 -2.045 -13.657 1.00 22.34 C ATOM 195 O GLU A 13 8.502 -0.918 -13.585 1.00 33.24 O ATOM 196 CB GLU A 13 8.599 -3.834 -15.331 1.00 73.30 C ATOM 197 CG GLU A 13 8.831 -2.830 -16.454 1.00 51.34 C ATOM 198 CD GLU A 13 8.432 -3.380 -17.815 1.00 53.31 C ATOM 199 OE1 GLU A 13 7.233 -3.301 -18.160 1.00 13.52 O ATOM 200 OE2 GLU A 13 9.310 -3.904 -18.532 1.00 74.23 O ATOM 0 H GLU A 13 8.356 -5.229 -13.329 1.00 75.55 H new ATOM 0 HA GLU A 13 9.925 -2.968 -13.861 1.00 20.13 H new ATOM 0 HB2 GLU A 13 9.230 -4.706 -15.502 1.00 73.30 H new ATOM 0 HB3 GLU A 13 7.565 -4.176 -15.372 1.00 73.30 H new ATOM 0 HG2 GLU A 13 8.261 -1.923 -16.250 1.00 51.34 H new ATOM 0 HG3 GLU A 13 9.884 -2.548 -16.474 1.00 51.34 H new ATOM 207 N THR A 14 6.699 -2.261 -13.509 1.00 5.04 N ATOM 208 CA THR A 14 5.767 -1.173 -13.173 1.00 74.53 C ATOM 209 C THR A 14 5.968 -0.709 -11.722 1.00 14.23 C ATOM 210 O THR A 14 5.941 0.488 -11.425 1.00 64.33 O ATOM 211 CB THR A 14 4.288 -1.598 -13.374 1.00 42.54 C ATOM 212 OG1 THR A 14 4.045 -1.904 -14.757 1.00 15.54 O ATOM 213 CG2 THR A 14 3.323 -0.501 -12.928 1.00 31.41 C ATOM 0 H THR A 14 6.258 -3.175 -13.615 1.00 5.04 H new ATOM 0 HA THR A 14 5.986 -0.349 -13.852 1.00 74.53 H new ATOM 0 HB THR A 14 4.115 -2.482 -12.760 1.00 42.54 H new ATOM 0 HG1 THR A 14 3.110 -2.173 -14.873 1.00 15.54 H new ATOM 0 HG21 THR A 14 2.297 -0.834 -13.083 1.00 31.41 H new ATOM 0 HG22 THR A 14 3.479 -0.287 -11.871 1.00 31.41 H new ATOM 0 HG23 THR A 14 3.504 0.402 -13.511 1.00 31.41 H new ATOM 221 N LEU A 15 6.193 -1.670 -10.829 1.00 64.12 N ATOM 222 CA LEU A 15 6.456 -1.383 -9.415 1.00 53.43 C ATOM 223 C LEU A 15 7.675 -0.456 -9.248 1.00 21.50 C ATOM 224 O LEU A 15 7.707 0.409 -8.370 1.00 24.12 O ATOM 225 CB LEU A 15 6.692 -2.698 -8.663 1.00 12.44 C ATOM 226 CG LEU A 15 6.989 -2.558 -7.162 1.00 43.40 C ATOM 227 CD1 LEU A 15 5.799 -1.950 -6.423 1.00 4.33 C ATOM 228 CD2 LEU A 15 7.370 -3.912 -6.564 1.00 53.23 C ATOM 0 H LEU A 15 6.199 -2.664 -11.059 1.00 64.12 H new ATOM 0 HA LEU A 15 5.588 -0.871 -9.001 1.00 53.43 H new ATOM 0 HB2 LEU A 15 5.811 -3.328 -8.784 1.00 12.44 H new ATOM 0 HB3 LEU A 15 7.525 -3.221 -9.133 1.00 12.44 H new ATOM 0 HG LEU A 15 7.835 -1.881 -7.043 1.00 43.40 H new ATOM 0 HD11 LEU A 15 6.036 -1.862 -5.363 1.00 4.33 H new ATOM 0 HD12 LEU A 15 5.584 -0.962 -6.830 1.00 4.33 H new ATOM 0 HD13 LEU A 15 4.927 -2.592 -6.548 1.00 4.33 H new ATOM 0 HD21 LEU A 15 7.577 -3.795 -5.500 1.00 53.23 H new ATOM 0 HD22 LEU A 15 6.547 -4.614 -6.698 1.00 53.23 H new ATOM 0 HD23 LEU A 15 8.258 -4.295 -7.067 1.00 53.23 H new ATOM 240 N ARG A 16 8.669 -0.647 -10.112 1.00 24.53 N ATOM 241 CA ARG A 16 9.895 0.156 -10.104 1.00 15.22 C ATOM 242 C ARG A 16 9.578 1.655 -10.242 1.00 41.40 C ATOM 243 O ARG A 16 10.217 2.502 -9.613 1.00 0.41 O ATOM 244 CB ARG A 16 10.801 -0.296 -11.256 1.00 41.10 C ATOM 245 CG ARG A 16 12.208 0.291 -11.229 1.00 53.54 C ATOM 246 CD ARG A 16 13.005 -0.128 -12.458 1.00 64.45 C ATOM 247 NE ARG A 16 12.959 -1.577 -12.673 1.00 60.04 N ATOM 248 CZ ARG A 16 12.862 -2.141 -13.848 1.00 40.02 C ATOM 249 NH1 ARG A 16 12.788 -1.421 -14.921 1.00 51.41 N ATOM 250 NH2 ARG A 16 12.812 -3.428 -13.943 1.00 0.20 N ATOM 0 H ARG A 16 8.650 -1.362 -10.839 1.00 24.53 H new ATOM 0 HA ARG A 16 10.404 0.008 -9.151 1.00 15.22 H new ATOM 0 HB2 ARG A 16 10.875 -1.383 -11.236 1.00 41.10 H new ATOM 0 HB3 ARG A 16 10.327 -0.026 -12.200 1.00 41.10 H new ATOM 0 HG2 ARG A 16 12.150 1.379 -11.184 1.00 53.54 H new ATOM 0 HG3 ARG A 16 12.725 -0.039 -10.328 1.00 53.54 H new ATOM 0 HD2 ARG A 16 12.611 0.382 -13.337 1.00 64.45 H new ATOM 0 HD3 ARG A 16 14.042 0.189 -12.344 1.00 64.45 H new ATOM 0 HE ARG A 16 13.006 -2.183 -11.854 1.00 60.04 H new ATOM 0 HH11 ARG A 16 12.805 -0.403 -14.854 1.00 51.41 H new ATOM 0 HH12 ARG A 16 12.713 -1.871 -15.833 1.00 51.41 H new ATOM 0 HH21 ARG A 16 12.848 -4.003 -13.101 1.00 0.20 H new ATOM 0 HH22 ARG A 16 12.736 -3.869 -14.860 1.00 0.20 H new ATOM 264 N LYS A 17 8.570 1.967 -11.057 1.00 31.52 N ATOM 265 CA LYS A 17 8.161 3.356 -11.293 1.00 54.02 C ATOM 266 C LYS A 17 7.598 3.994 -10.015 1.00 2.14 C ATOM 267 O LYS A 17 7.815 5.177 -9.752 1.00 32.33 O ATOM 268 CB LYS A 17 7.121 3.420 -12.420 1.00 30.51 C ATOM 269 CG LYS A 17 7.583 2.757 -13.716 1.00 40.33 C ATOM 270 CD LYS A 17 8.891 3.356 -14.228 1.00 40.24 C ATOM 271 CE LYS A 17 8.747 4.824 -14.616 1.00 73.22 C ATOM 272 NZ LYS A 17 7.812 5.010 -15.754 1.00 13.44 N ATOM 0 H LYS A 17 8.019 1.276 -11.567 1.00 31.52 H new ATOM 0 HA LYS A 17 9.044 3.921 -11.592 1.00 54.02 H new ATOM 0 HB2 LYS A 17 6.202 2.940 -12.083 1.00 30.51 H new ATOM 0 HB3 LYS A 17 6.879 4.464 -12.621 1.00 30.51 H new ATOM 0 HG2 LYS A 17 7.714 1.688 -13.550 1.00 40.33 H new ATOM 0 HG3 LYS A 17 6.810 2.869 -14.477 1.00 40.33 H new ATOM 0 HD2 LYS A 17 9.657 3.260 -13.458 1.00 40.24 H new ATOM 0 HD3 LYS A 17 9.234 2.787 -15.092 1.00 40.24 H new ATOM 0 HE2 LYS A 17 8.390 5.393 -13.757 1.00 73.22 H new ATOM 0 HE3 LYS A 17 9.725 5.226 -14.881 1.00 73.22 H new ATOM 0 HZ1 LYS A 17 7.871 5.991 -16.095 1.00 13.44 H new ATOM 0 HZ2 LYS A 17 8.069 4.360 -16.524 1.00 13.44 H new ATOM 0 HZ3 LYS A 17 6.841 4.810 -15.441 1.00 13.44 H new ATOM 286 N PHE A 18 6.878 3.203 -9.218 1.00 63.54 N ATOM 287 CA PHE A 18 6.342 3.686 -7.941 1.00 74.15 C ATOM 288 C PHE A 18 7.473 3.970 -6.945 1.00 31.12 C ATOM 289 O PHE A 18 7.427 4.951 -6.202 1.00 54.54 O ATOM 290 CB PHE A 18 5.351 2.672 -7.344 1.00 21.51 C ATOM 291 CG PHE A 18 4.154 2.402 -8.223 1.00 22.23 C ATOM 292 CD1 PHE A 18 3.337 3.442 -8.648 1.00 62.23 C ATOM 293 CD2 PHE A 18 3.848 1.112 -8.628 1.00 11.22 C ATOM 294 CE1 PHE A 18 2.242 3.198 -9.454 1.00 63.05 C ATOM 295 CE2 PHE A 18 2.755 0.863 -9.435 1.00 12.20 C ATOM 296 CZ PHE A 18 1.952 1.907 -9.849 1.00 34.13 C ATOM 0 H PHE A 18 6.653 2.231 -9.431 1.00 63.54 H new ATOM 0 HA PHE A 18 5.810 4.617 -8.135 1.00 74.15 H new ATOM 0 HB2 PHE A 18 5.873 1.733 -7.158 1.00 21.51 H new ATOM 0 HB3 PHE A 18 5.005 3.041 -6.378 1.00 21.51 H new ATOM 0 HD1 PHE A 18 3.561 4.454 -8.344 1.00 62.23 H new ATOM 0 HD2 PHE A 18 4.472 0.291 -8.308 1.00 11.22 H new ATOM 0 HE1 PHE A 18 1.614 4.016 -9.775 1.00 63.05 H new ATOM 0 HE2 PHE A 18 2.529 -0.147 -9.742 1.00 12.20 H new ATOM 0 HZ PHE A 18 1.098 1.714 -10.481 1.00 34.13 H new ATOM 306 N LYS A 19 8.495 3.110 -6.943 1.00 63.42 N ATOM 307 CA LYS A 19 9.679 3.316 -6.096 1.00 13.15 C ATOM 308 C LYS A 19 10.331 4.675 -6.389 1.00 25.22 C ATOM 309 O LYS A 19 10.691 5.418 -5.475 1.00 24.32 O ATOM 310 CB LYS A 19 10.712 2.200 -6.321 1.00 51.43 C ATOM 311 CG LYS A 19 10.199 0.794 -6.026 1.00 73.55 C ATOM 312 CD LYS A 19 11.297 -0.251 -6.223 1.00 55.03 C ATOM 313 CE LYS A 19 10.797 -1.668 -5.970 1.00 63.41 C ATOM 314 NZ LYS A 19 11.887 -2.671 -6.101 1.00 74.20 N ATOM 0 H LYS A 19 8.529 2.266 -7.515 1.00 63.42 H new ATOM 0 HA LYS A 19 9.348 3.294 -5.058 1.00 13.15 H new ATOM 0 HB2 LYS A 19 11.051 2.240 -7.356 1.00 51.43 H new ATOM 0 HB3 LYS A 19 11.581 2.395 -5.693 1.00 51.43 H new ATOM 0 HG2 LYS A 19 9.829 0.747 -5.002 1.00 73.55 H new ATOM 0 HG3 LYS A 19 9.357 0.567 -6.680 1.00 73.55 H new ATOM 0 HD2 LYS A 19 11.685 -0.181 -7.239 1.00 55.03 H new ATOM 0 HD3 LYS A 19 12.127 -0.035 -5.550 1.00 55.03 H new ATOM 0 HE2 LYS A 19 10.366 -1.728 -4.971 1.00 63.41 H new ATOM 0 HE3 LYS A 19 10.000 -1.903 -6.675 1.00 63.41 H new ATOM 0 HZ1 LYS A 19 11.507 -3.622 -5.922 1.00 74.20 H new ATOM 0 HZ2 LYS A 19 12.281 -2.631 -7.062 1.00 74.20 H new ATOM 0 HZ3 LYS A 19 12.636 -2.462 -5.411 1.00 74.20 H new ATOM 328 N ASP A 20 10.476 4.989 -7.676 1.00 52.34 N ATOM 329 CA ASP A 20 11.045 6.267 -8.112 1.00 35.11 C ATOM 330 C ASP A 20 10.243 7.461 -7.554 1.00 22.31 C ATOM 331 O ASP A 20 10.818 8.465 -7.119 1.00 72.24 O ATOM 332 CB ASP A 20 11.083 6.305 -9.645 1.00 51.22 C ATOM 333 CG ASP A 20 11.685 7.589 -10.184 1.00 55.42 C ATOM 334 OD1 ASP A 20 12.913 7.775 -10.053 1.00 21.24 O ATOM 335 OD2 ASP A 20 10.937 8.412 -10.752 1.00 14.32 O ATOM 0 H ASP A 20 10.205 4.371 -8.441 1.00 52.34 H new ATOM 0 HA ASP A 20 12.059 6.351 -7.721 1.00 35.11 H new ATOM 0 HB2 ASP A 20 11.660 5.456 -10.011 1.00 51.22 H new ATOM 0 HB3 ASP A 20 10.070 6.193 -10.032 1.00 51.22 H new ATOM 340 N ILE A 21 8.916 7.337 -7.555 1.00 0.11 N ATOM 341 CA ILE A 21 8.032 8.387 -7.031 1.00 55.33 C ATOM 342 C ILE A 21 8.144 8.510 -5.498 1.00 22.33 C ATOM 343 O ILE A 21 8.150 9.615 -4.950 1.00 34.41 O ATOM 344 CB ILE A 21 6.554 8.125 -7.425 1.00 5.41 C ATOM 345 CG1 ILE A 21 6.420 8.043 -8.957 1.00 74.53 C ATOM 346 CG2 ILE A 21 5.635 9.211 -6.858 1.00 75.22 C ATOM 347 CD1 ILE A 21 5.017 7.732 -9.439 1.00 14.21 C ATOM 0 H ILE A 21 8.425 6.518 -7.913 1.00 0.11 H new ATOM 0 HA ILE A 21 8.357 9.326 -7.479 1.00 55.33 H new ATOM 0 HB ILE A 21 6.247 7.171 -6.996 1.00 5.41 H new ATOM 0 HG12 ILE A 21 6.740 8.991 -9.390 1.00 74.53 H new ATOM 0 HG13 ILE A 21 7.099 7.276 -9.330 1.00 74.53 H new ATOM 0 HG21 ILE A 21 4.605 9.004 -7.148 1.00 75.22 H new ATOM 0 HG22 ILE A 21 5.711 9.220 -5.771 1.00 75.22 H new ATOM 0 HG23 ILE A 21 5.935 10.183 -7.251 1.00 75.22 H new ATOM 0 HD11 ILE A 21 5.007 7.692 -10.528 1.00 14.21 H new ATOM 0 HD12 ILE A 21 4.699 6.770 -9.037 1.00 14.21 H new ATOM 0 HD13 ILE A 21 4.334 8.511 -9.099 1.00 14.21 H new ATOM 359 N ILE A 22 8.233 7.373 -4.809 1.00 55.02 N ATOM 360 CA ILE A 22 8.411 7.362 -3.351 1.00 50.41 C ATOM 361 C ILE A 22 9.724 8.054 -2.944 1.00 50.10 C ATOM 362 O ILE A 22 9.743 8.897 -2.041 1.00 53.31 O ATOM 363 CB ILE A 22 8.392 5.915 -2.790 1.00 4.22 C ATOM 364 CG1 ILE A 22 7.015 5.268 -3.035 1.00 64.30 C ATOM 365 CG2 ILE A 22 8.740 5.903 -1.300 1.00 12.42 C ATOM 366 CD1 ILE A 22 6.917 3.828 -2.573 1.00 74.52 C ATOM 0 H ILE A 22 8.185 6.447 -5.233 1.00 55.02 H new ATOM 0 HA ILE A 22 7.574 7.915 -2.925 1.00 50.41 H new ATOM 0 HB ILE A 22 9.148 5.331 -3.314 1.00 4.22 H new ATOM 0 HG12 ILE A 22 6.253 5.855 -2.522 1.00 64.30 H new ATOM 0 HG13 ILE A 22 6.789 5.313 -4.100 1.00 64.30 H new ATOM 0 HG21 ILE A 22 8.720 4.878 -0.930 1.00 12.42 H new ATOM 0 HG22 ILE A 22 9.736 6.322 -1.156 1.00 12.42 H new ATOM 0 HG23 ILE A 22 8.012 6.501 -0.752 1.00 12.42 H new ATOM 0 HD11 ILE A 22 5.917 3.446 -2.781 1.00 74.52 H new ATOM 0 HD12 ILE A 22 7.654 3.225 -3.104 1.00 74.52 H new ATOM 0 HD13 ILE A 22 7.109 3.776 -1.501 1.00 74.52 H new ATOM 378 N LYS A 23 10.814 7.713 -3.632 1.00 11.54 N ATOM 379 CA LYS A 23 12.131 8.300 -3.346 1.00 44.21 C ATOM 380 C LYS A 23 12.135 9.826 -3.544 1.00 52.03 C ATOM 381 O LYS A 23 12.916 10.539 -2.911 1.00 34.52 O ATOM 382 CB LYS A 23 13.208 7.655 -4.229 1.00 22.14 C ATOM 383 CG LYS A 23 13.371 6.153 -4.009 1.00 0.41 C ATOM 384 CD LYS A 23 13.727 5.817 -2.560 1.00 42.53 C ATOM 385 CE LYS A 23 15.073 6.405 -2.140 1.00 15.44 C ATOM 386 NZ LYS A 23 16.196 5.878 -2.961 1.00 62.00 N ATOM 0 H LYS A 23 10.815 7.033 -4.392 1.00 11.54 H new ATOM 0 HA LYS A 23 12.354 8.099 -2.298 1.00 44.21 H new ATOM 0 HB2 LYS A 23 12.961 7.834 -5.275 1.00 22.14 H new ATOM 0 HB3 LYS A 23 14.162 8.146 -4.038 1.00 22.14 H new ATOM 0 HG2 LYS A 23 12.446 5.645 -4.281 1.00 0.41 H new ATOM 0 HG3 LYS A 23 14.150 5.773 -4.670 1.00 0.41 H new ATOM 0 HD2 LYS A 23 12.946 6.195 -1.900 1.00 42.53 H new ATOM 0 HD3 LYS A 23 13.752 4.734 -2.436 1.00 42.53 H new ATOM 0 HE2 LYS A 23 15.037 7.491 -2.230 1.00 15.44 H new ATOM 0 HE3 LYS A 23 15.255 6.178 -1.090 1.00 15.44 H new ATOM 0 HZ1 LYS A 23 17.101 6.168 -2.538 1.00 62.00 H new ATOM 0 HZ2 LYS A 23 16.145 4.840 -2.993 1.00 62.00 H new ATOM 0 HZ3 LYS A 23 16.128 6.258 -3.927 1.00 62.00 H new ATOM 400 N LYS A 24 11.262 10.321 -4.421 1.00 23.25 N ATOM 401 CA LYS A 24 11.115 11.766 -4.647 1.00 13.23 C ATOM 402 C LYS A 24 10.774 12.510 -3.341 1.00 54.30 C ATOM 403 O LYS A 24 11.188 13.654 -3.132 1.00 62.12 O ATOM 404 CB LYS A 24 10.022 12.025 -5.695 1.00 23.55 C ATOM 405 CG LYS A 24 9.735 13.506 -5.945 1.00 5.44 C ATOM 406 CD LYS A 24 8.627 13.704 -6.976 1.00 14.41 C ATOM 407 CE LYS A 24 8.371 15.181 -7.257 1.00 22.15 C ATOM 408 NZ LYS A 24 9.585 15.871 -7.770 1.00 33.12 N ATOM 0 H LYS A 24 10.642 9.744 -4.990 1.00 23.25 H new ATOM 0 HA LYS A 24 12.069 12.146 -5.012 1.00 13.23 H new ATOM 0 HB2 LYS A 24 10.318 11.560 -6.635 1.00 23.55 H new ATOM 0 HB3 LYS A 24 9.102 11.537 -5.373 1.00 23.55 H new ATOM 0 HG2 LYS A 24 9.449 13.984 -5.008 1.00 5.44 H new ATOM 0 HG3 LYS A 24 10.644 13.999 -6.290 1.00 5.44 H new ATOM 0 HD2 LYS A 24 8.899 13.200 -7.903 1.00 14.41 H new ATOM 0 HD3 LYS A 24 7.709 13.238 -6.617 1.00 14.41 H new ATOM 0 HE2 LYS A 24 7.565 15.277 -7.985 1.00 22.15 H new ATOM 0 HE3 LYS A 24 8.035 15.671 -6.343 1.00 22.15 H new ATOM 0 HZ1 LYS A 24 9.318 16.794 -8.168 1.00 33.12 H new ATOM 0 HZ2 LYS A 24 10.259 16.012 -6.991 1.00 33.12 H new ATOM 0 HZ3 LYS A 24 10.028 15.290 -8.510 1.00 33.12 H new ATOM 422 N ASN A 25 10.029 11.846 -2.459 1.00 61.15 N ATOM 423 CA ASN A 25 9.609 12.449 -1.187 1.00 52.22 C ATOM 424 C ASN A 25 10.590 12.105 -0.046 1.00 32.34 C ATOM 425 O ASN A 25 10.443 12.589 1.079 1.00 72.22 O ATOM 426 CB ASN A 25 8.192 11.987 -0.833 1.00 21.03 C ATOM 427 CG ASN A 25 7.199 12.251 -1.958 1.00 14.53 C ATOM 428 OD1 ASN A 25 6.602 13.318 -2.047 1.00 5.20 O ATOM 429 ND2 ASN A 25 7.013 11.278 -2.827 1.00 64.31 N ATOM 0 H ASN A 25 9.702 10.890 -2.598 1.00 61.15 H new ATOM 0 HA ASN A 25 9.613 13.532 -1.308 1.00 52.22 H new ATOM 0 HB2 ASN A 25 8.206 10.921 -0.607 1.00 21.03 H new ATOM 0 HB3 ASN A 25 7.860 12.500 0.069 1.00 21.03 H new ATOM 0 HD21 ASN A 25 6.358 11.402 -3.599 1.00 64.31 H new ATOM 0 HD22 ASN A 25 7.524 10.401 -2.728 1.00 64.31 H new ATOM 436 N GLY A 26 11.586 11.267 -0.348 1.00 14.31 N ATOM 437 CA GLY A 26 12.638 10.951 0.621 1.00 74.41 C ATOM 438 C GLY A 26 12.296 9.817 1.592 1.00 21.42 C ATOM 439 O GLY A 26 12.670 9.868 2.766 1.00 45.55 O ATOM 0 H GLY A 26 11.685 10.799 -1.249 1.00 14.31 H new ATOM 0 HA2 GLY A 26 13.545 10.685 0.078 1.00 74.41 H new ATOM 0 HA3 GLY A 26 12.864 11.848 1.197 1.00 74.41 H new ATOM 443 N PHE A 27 11.609 8.780 1.115 1.00 53.44 N ATOM 444 CA PHE A 27 11.255 7.626 1.962 1.00 75.31 C ATOM 445 C PHE A 27 11.857 6.316 1.432 1.00 65.42 C ATOM 446 O PHE A 27 12.095 6.170 0.233 1.00 43.10 O ATOM 447 CB PHE A 27 9.730 7.485 2.075 1.00 63.00 C ATOM 448 CG PHE A 27 9.083 8.565 2.905 1.00 31.11 C ATOM 449 CD1 PHE A 27 8.906 9.839 2.391 1.00 74.53 C ATOM 450 CD2 PHE A 27 8.659 8.305 4.202 1.00 0.30 C ATOM 451 CE1 PHE A 27 8.320 10.831 3.150 1.00 25.43 C ATOM 452 CE2 PHE A 27 8.072 9.296 4.967 1.00 11.05 C ATOM 453 CZ PHE A 27 7.902 10.561 4.440 1.00 63.43 C ATOM 0 H PHE A 27 11.284 8.709 0.151 1.00 53.44 H new ATOM 0 HA PHE A 27 11.676 7.815 2.949 1.00 75.31 H new ATOM 0 HB2 PHE A 27 9.297 7.499 1.075 1.00 63.00 H new ATOM 0 HB3 PHE A 27 9.495 6.514 2.510 1.00 63.00 H new ATOM 0 HD1 PHE A 27 9.230 10.058 1.385 1.00 74.53 H new ATOM 0 HD2 PHE A 27 8.789 7.317 4.618 1.00 0.30 H new ATOM 0 HE1 PHE A 27 8.188 11.820 2.736 1.00 25.43 H new ATOM 0 HE2 PHE A 27 7.747 9.081 5.974 1.00 11.05 H new ATOM 0 HZ PHE A 27 7.444 11.338 5.034 1.00 63.43 H new ATOM 463 N LYS A 28 12.100 5.370 2.343 1.00 33.33 N ATOM 464 CA LYS A 28 12.629 4.046 1.976 1.00 14.10 C ATOM 465 C LYS A 28 11.494 3.109 1.515 1.00 13.51 C ATOM 466 O LYS A 28 10.374 3.178 2.028 1.00 50.21 O ATOM 467 CB LYS A 28 13.368 3.416 3.171 1.00 2.31 C ATOM 468 CG LYS A 28 14.516 4.259 3.734 1.00 60.33 C ATOM 469 CD LYS A 28 15.578 4.578 2.680 1.00 10.13 C ATOM 470 CE LYS A 28 16.861 5.134 3.303 1.00 10.42 C ATOM 471 NZ LYS A 28 16.617 6.356 4.118 1.00 14.22 N ATOM 0 H LYS A 28 11.940 5.493 3.343 1.00 33.33 H new ATOM 0 HA LYS A 28 13.328 4.179 1.151 1.00 14.10 H new ATOM 0 HB2 LYS A 28 12.648 3.230 3.968 1.00 2.31 H new ATOM 0 HB3 LYS A 28 13.763 2.447 2.866 1.00 2.31 H new ATOM 0 HG2 LYS A 28 14.116 5.190 4.136 1.00 60.33 H new ATOM 0 HG3 LYS A 28 14.981 3.727 4.564 1.00 60.33 H new ATOM 0 HD2 LYS A 28 15.811 3.675 2.117 1.00 10.13 H new ATOM 0 HD3 LYS A 28 15.177 5.302 1.970 1.00 10.13 H new ATOM 0 HE2 LYS A 28 17.318 4.368 3.930 1.00 10.42 H new ATOM 0 HE3 LYS A 28 17.574 5.365 2.512 1.00 10.42 H new ATOM 0 HZ1 LYS A 28 17.524 6.731 4.461 1.00 14.22 H new ATOM 0 HZ2 LYS A 28 16.144 7.074 3.533 1.00 14.22 H new ATOM 0 HZ3 LYS A 28 16.012 6.117 4.929 1.00 14.22 H new ATOM 485 N VAL A 29 11.791 2.230 0.557 1.00 14.34 N ATOM 486 CA VAL A 29 10.780 1.311 0.002 1.00 32.32 C ATOM 487 C VAL A 29 11.015 -0.147 0.450 1.00 31.54 C ATOM 488 O VAL A 29 12.119 -0.679 0.318 1.00 75.31 O ATOM 489 CB VAL A 29 10.774 1.361 -1.549 1.00 11.01 C ATOM 490 CG1 VAL A 29 9.654 0.490 -2.119 1.00 45.13 C ATOM 491 CG2 VAL A 29 10.654 2.801 -2.051 1.00 32.34 C ATOM 0 H VAL A 29 12.719 2.130 0.146 1.00 14.34 H new ATOM 0 HA VAL A 29 9.816 1.645 0.387 1.00 32.32 H new ATOM 0 HB VAL A 29 11.725 0.961 -1.901 1.00 11.01 H new ATOM 0 HG11 VAL A 29 9.671 0.542 -3.208 1.00 45.13 H new ATOM 0 HG12 VAL A 29 9.800 -0.543 -1.803 1.00 45.13 H new ATOM 0 HG13 VAL A 29 8.692 0.849 -1.754 1.00 45.13 H new ATOM 0 HG21 VAL A 29 10.652 2.807 -3.141 1.00 32.34 H new ATOM 0 HG22 VAL A 29 9.725 3.238 -1.684 1.00 32.34 H new ATOM 0 HG23 VAL A 29 11.499 3.385 -1.686 1.00 32.34 H new ATOM 501 N ARG A 30 9.966 -0.794 0.971 1.00 30.14 N ATOM 502 CA ARG A 30 10.041 -2.209 1.371 1.00 72.03 C ATOM 503 C ARG A 30 8.879 -2.998 0.738 1.00 25.54 C ATOM 504 O ARG A 30 7.762 -2.998 1.252 1.00 2.52 O ATOM 505 CB ARG A 30 10.011 -2.320 2.910 1.00 42.34 C ATOM 506 CG ARG A 30 10.723 -3.550 3.495 1.00 15.32 C ATOM 507 CD ARG A 30 9.829 -4.793 3.580 1.00 5.33 C ATOM 508 NE ARG A 30 9.945 -5.673 2.412 1.00 33.22 N ATOM 509 CZ ARG A 30 10.294 -6.939 2.479 1.00 71.21 C ATOM 510 NH1 ARG A 30 10.729 -7.449 3.589 1.00 4.13 N ATOM 511 NH2 ARG A 30 10.249 -7.680 1.423 1.00 41.22 N ATOM 0 H ARG A 30 9.055 -0.363 1.126 1.00 30.14 H new ATOM 0 HA ARG A 30 10.978 -2.637 1.014 1.00 72.03 H new ATOM 0 HB2 ARG A 30 10.466 -1.423 3.331 1.00 42.34 H new ATOM 0 HB3 ARG A 30 8.971 -2.334 3.236 1.00 42.34 H new ATOM 0 HG2 ARG A 30 11.595 -3.781 2.882 1.00 15.32 H new ATOM 0 HG3 ARG A 30 11.090 -3.307 4.492 1.00 15.32 H new ATOM 0 HD2 ARG A 30 10.086 -5.356 4.477 1.00 5.33 H new ATOM 0 HD3 ARG A 30 8.791 -4.479 3.687 1.00 5.33 H new ATOM 0 HE ARG A 30 9.743 -5.279 1.493 1.00 33.22 H new ATOM 0 HH11 ARG A 30 10.804 -6.867 4.423 1.00 4.13 H new ATOM 0 HH12 ARG A 30 10.997 -8.433 3.628 1.00 4.13 H new ATOM 0 HH21 ARG A 30 9.942 -7.284 0.535 1.00 41.22 H new ATOM 0 HH22 ARG A 30 10.520 -8.662 1.477 1.00 41.22 H new ATOM 525 N THR A 31 9.148 -3.654 -0.391 1.00 3.44 N ATOM 526 CA THR A 31 8.105 -4.360 -1.156 1.00 62.21 C ATOM 527 C THR A 31 7.879 -5.785 -0.635 1.00 65.51 C ATOM 528 O THR A 31 8.832 -6.531 -0.428 1.00 74.23 O ATOM 529 CB THR A 31 8.456 -4.429 -2.661 1.00 4.42 C ATOM 530 OG1 THR A 31 9.689 -5.144 -2.857 1.00 4.21 O ATOM 531 CG2 THR A 31 8.582 -3.028 -3.251 1.00 53.32 C ATOM 0 H THR A 31 10.080 -3.715 -0.802 1.00 3.44 H new ATOM 0 HA THR A 31 7.189 -3.785 -1.023 1.00 62.21 H new ATOM 0 HB THR A 31 7.649 -4.957 -3.170 1.00 4.42 H new ATOM 0 HG1 THR A 31 9.897 -5.181 -3.814 1.00 4.21 H new ATOM 0 HG21 THR A 31 8.829 -3.100 -4.310 1.00 53.32 H new ATOM 0 HG22 THR A 31 7.637 -2.498 -3.134 1.00 53.32 H new ATOM 0 HG23 THR A 31 9.370 -2.484 -2.731 1.00 53.32 H new ATOM 539 N VAL A 32 6.616 -6.157 -0.446 1.00 73.15 N ATOM 540 CA VAL A 32 6.253 -7.464 0.116 1.00 31.22 C ATOM 541 C VAL A 32 5.405 -8.303 -0.857 1.00 41.40 C ATOM 542 O VAL A 32 4.463 -7.800 -1.470 1.00 3.44 O ATOM 543 CB VAL A 32 5.467 -7.286 1.445 1.00 31.43 C ATOM 544 CG1 VAL A 32 4.872 -8.613 1.921 1.00 53.41 C ATOM 545 CG2 VAL A 32 6.362 -6.674 2.524 1.00 72.41 C ATOM 0 H VAL A 32 5.816 -5.568 -0.675 1.00 73.15 H new ATOM 0 HA VAL A 32 7.187 -7.995 0.300 1.00 31.22 H new ATOM 0 HB VAL A 32 4.641 -6.601 1.255 1.00 31.43 H new ATOM 0 HG11 VAL A 32 4.329 -8.455 2.853 1.00 53.41 H new ATOM 0 HG12 VAL A 32 4.189 -8.998 1.164 1.00 53.41 H new ATOM 0 HG13 VAL A 32 5.674 -9.333 2.086 1.00 53.41 H new ATOM 0 HG21 VAL A 32 5.793 -6.558 3.446 1.00 72.41 H new ATOM 0 HG22 VAL A 32 7.215 -7.329 2.704 1.00 72.41 H new ATOM 0 HG23 VAL A 32 6.717 -5.699 2.192 1.00 72.41 H new ATOM 555 N ARG A 33 5.751 -9.584 -0.993 1.00 44.44 N ATOM 556 CA ARG A 33 4.932 -10.538 -1.756 1.00 12.01 C ATOM 557 C ARG A 33 4.440 -11.688 -0.857 1.00 23.25 C ATOM 558 O ARG A 33 3.305 -12.144 -0.982 1.00 63.30 O ATOM 559 CB ARG A 33 5.725 -11.097 -2.951 1.00 12.50 C ATOM 560 CG ARG A 33 5.023 -12.247 -3.677 1.00 43.42 C ATOM 561 CD ARG A 33 5.719 -12.614 -4.986 1.00 51.54 C ATOM 562 NE ARG A 33 5.566 -11.569 -5.995 1.00 25.33 N ATOM 563 CZ ARG A 33 6.008 -11.655 -7.219 1.00 22.35 C ATOM 564 NH1 ARG A 33 6.659 -12.701 -7.622 1.00 54.04 N ATOM 565 NH2 ARG A 33 5.786 -10.688 -8.047 1.00 4.32 N ATOM 0 H ARG A 33 6.594 -9.989 -0.585 1.00 44.44 H new ATOM 0 HA ARG A 33 4.060 -10.004 -2.134 1.00 12.01 H new ATOM 0 HB2 ARG A 33 5.910 -10.291 -3.661 1.00 12.50 H new ATOM 0 HB3 ARG A 33 6.698 -11.442 -2.600 1.00 12.50 H new ATOM 0 HG2 ARG A 33 4.993 -13.121 -3.026 1.00 43.42 H new ATOM 0 HG3 ARG A 33 3.990 -11.967 -3.883 1.00 43.42 H new ATOM 0 HD2 ARG A 33 6.779 -12.785 -4.798 1.00 51.54 H new ATOM 0 HD3 ARG A 33 5.308 -13.549 -5.366 1.00 51.54 H new ATOM 0 HE ARG A 33 5.080 -10.714 -5.724 1.00 25.33 H new ATOM 0 HH11 ARG A 33 6.832 -13.473 -6.978 1.00 54.04 H new ATOM 0 HH12 ARG A 33 6.998 -12.752 -8.583 1.00 54.04 H new ATOM 0 HH21 ARG A 33 5.268 -9.864 -7.742 1.00 4.32 H new ATOM 0 HH22 ARG A 33 6.129 -10.749 -9.006 1.00 4.32 H new ATOM 579 N SER A 34 5.305 -12.146 0.044 1.00 0.53 N ATOM 580 CA SER A 34 4.969 -13.233 0.977 1.00 4.11 C ATOM 581 C SER A 34 4.606 -12.686 2.369 1.00 64.13 C ATOM 582 O SER A 34 5.238 -11.747 2.858 1.00 32.15 O ATOM 583 CB SER A 34 6.147 -14.214 1.097 1.00 54.24 C ATOM 584 OG SER A 34 6.387 -14.883 -0.135 1.00 43.44 O ATOM 0 H SER A 34 6.252 -11.782 0.153 1.00 0.53 H new ATOM 0 HA SER A 34 4.100 -13.756 0.578 1.00 4.11 H new ATOM 0 HB2 SER A 34 7.044 -13.674 1.401 1.00 54.24 H new ATOM 0 HB3 SER A 34 5.936 -14.946 1.876 1.00 54.24 H new ATOM 0 HG SER A 34 7.142 -15.499 -0.031 1.00 43.44 H new ATOM 590 N PRO A 35 3.589 -13.279 3.038 1.00 45.40 N ATOM 591 CA PRO A 35 3.130 -12.827 4.367 1.00 73.53 C ATOM 592 C PRO A 35 4.265 -12.731 5.406 1.00 54.20 C ATOM 593 O PRO A 35 4.210 -11.904 6.321 1.00 12.12 O ATOM 594 CB PRO A 35 2.091 -13.891 4.783 1.00 64.14 C ATOM 595 CG PRO A 35 2.275 -15.028 3.831 1.00 3.42 C ATOM 596 CD PRO A 35 2.799 -14.425 2.555 1.00 11.24 C ATOM 0 HA PRO A 35 2.725 -11.816 4.320 1.00 73.53 H new ATOM 0 HB2 PRO A 35 2.250 -14.212 5.812 1.00 64.14 H new ATOM 0 HB3 PRO A 35 1.078 -13.493 4.726 1.00 64.14 H new ATOM 0 HG2 PRO A 35 2.975 -15.762 4.231 1.00 3.42 H new ATOM 0 HG3 PRO A 35 1.333 -15.548 3.658 1.00 3.42 H new ATOM 0 HD2 PRO A 35 3.412 -15.132 1.995 1.00 11.24 H new ATOM 0 HD3 PRO A 35 1.991 -14.110 1.894 1.00 11.24 H new ATOM 604 N GLN A 36 5.285 -13.578 5.264 1.00 12.43 N ATOM 605 CA GLN A 36 6.468 -13.521 6.134 1.00 23.34 C ATOM 606 C GLN A 36 7.139 -12.138 6.075 1.00 2.40 C ATOM 607 O GLN A 36 7.411 -11.524 7.109 1.00 11.14 O ATOM 608 CB GLN A 36 7.473 -14.609 5.727 1.00 53.21 C ATOM 609 CG GLN A 36 8.769 -14.589 6.528 1.00 73.31 C ATOM 610 CD GLN A 36 9.741 -15.670 6.090 1.00 51.02 C ATOM 611 OE1 GLN A 36 10.552 -15.468 5.192 1.00 70.32 O ATOM 612 NE2 GLN A 36 9.662 -16.829 6.710 1.00 31.53 N ATOM 0 H GLN A 36 5.319 -14.312 4.557 1.00 12.43 H new ATOM 0 HA GLN A 36 6.141 -13.695 7.159 1.00 23.34 H new ATOM 0 HB2 GLN A 36 7.002 -15.585 5.842 1.00 53.21 H new ATOM 0 HB3 GLN A 36 7.710 -14.492 4.669 1.00 53.21 H new ATOM 0 HG2 GLN A 36 9.243 -13.614 6.421 1.00 73.31 H new ATOM 0 HG3 GLN A 36 8.540 -14.718 7.586 1.00 73.31 H new ATOM 0 HE21 GLN A 36 8.976 -16.964 7.453 1.00 31.53 H new ATOM 0 HE22 GLN A 36 10.287 -17.591 6.447 1.00 31.53 H new ATOM 621 N GLU A 37 7.375 -11.645 4.858 1.00 64.24 N ATOM 622 CA GLU A 37 8.044 -10.351 4.651 1.00 62.33 C ATOM 623 C GLU A 37 7.294 -9.212 5.357 1.00 71.53 C ATOM 624 O GLU A 37 7.905 -8.301 5.923 1.00 33.02 O ATOM 625 CB GLU A 37 8.152 -10.046 3.152 1.00 65.30 C ATOM 626 CG GLU A 37 8.864 -11.125 2.345 1.00 5.12 C ATOM 627 CD GLU A 37 8.942 -10.785 0.866 1.00 31.54 C ATOM 628 OE1 GLU A 37 8.000 -11.132 0.124 1.00 63.30 O ATOM 629 OE2 GLU A 37 9.938 -10.158 0.450 1.00 33.41 O ATOM 0 H GLU A 37 7.113 -12.121 3.995 1.00 64.24 H new ATOM 0 HA GLU A 37 9.043 -10.421 5.082 1.00 62.33 H new ATOM 0 HB2 GLU A 37 7.149 -9.908 2.748 1.00 65.30 H new ATOM 0 HB3 GLU A 37 8.681 -9.102 3.022 1.00 65.30 H new ATOM 0 HG2 GLU A 37 9.872 -11.263 2.737 1.00 5.12 H new ATOM 0 HG3 GLU A 37 8.341 -12.073 2.470 1.00 5.12 H new ATOM 636 N LEU A 38 5.964 -9.271 5.315 1.00 14.45 N ATOM 637 CA LEU A 38 5.124 -8.279 5.989 1.00 41.02 C ATOM 638 C LEU A 38 5.264 -8.384 7.515 1.00 53.14 C ATOM 639 O LEU A 38 5.228 -7.376 8.221 1.00 75.22 O ATOM 640 CB LEU A 38 3.654 -8.454 5.576 1.00 51.11 C ATOM 641 CG LEU A 38 2.675 -7.413 6.152 1.00 22.12 C ATOM 642 CD1 LEU A 38 3.053 -6.001 5.702 1.00 12.33 C ATOM 643 CD2 LEU A 38 1.240 -7.746 5.745 1.00 44.11 C ATOM 0 H LEU A 38 5.443 -9.996 4.821 1.00 14.45 H new ATOM 0 HA LEU A 38 5.460 -7.288 5.684 1.00 41.02 H new ATOM 0 HB2 LEU A 38 3.594 -8.421 4.488 1.00 51.11 H new ATOM 0 HB3 LEU A 38 3.324 -9.446 5.883 1.00 51.11 H new ATOM 0 HG LEU A 38 2.741 -7.448 7.239 1.00 22.12 H new ATOM 0 HD11 LEU A 38 2.347 -5.284 6.122 1.00 12.33 H new ATOM 0 HD12 LEU A 38 4.059 -5.765 6.049 1.00 12.33 H new ATOM 0 HD13 LEU A 38 3.023 -5.946 4.614 1.00 12.33 H new ATOM 0 HD21 LEU A 38 0.562 -7.001 6.160 1.00 44.11 H new ATOM 0 HD22 LEU A 38 1.160 -7.744 4.658 1.00 44.11 H new ATOM 0 HD23 LEU A 38 0.973 -8.732 6.126 1.00 44.11 H new ATOM 655 N LYS A 39 5.436 -9.604 8.020 1.00 52.44 N ATOM 656 CA LYS A 39 5.638 -9.812 9.455 1.00 73.33 C ATOM 657 C LYS A 39 7.005 -9.267 9.900 1.00 44.34 C ATOM 658 O LYS A 39 7.119 -8.656 10.964 1.00 31.23 O ATOM 659 CB LYS A 39 5.517 -11.299 9.817 1.00 22.32 C ATOM 660 CG LYS A 39 5.544 -11.557 11.321 1.00 52.13 C ATOM 661 CD LYS A 39 5.488 -13.046 11.662 1.00 74.40 C ATOM 662 CE LYS A 39 5.462 -13.264 13.171 1.00 51.13 C ATOM 663 NZ LYS A 39 5.514 -14.703 13.540 1.00 2.22 N ATOM 0 H LYS A 39 5.440 -10.458 7.463 1.00 52.44 H new ATOM 0 HA LYS A 39 4.858 -9.264 9.983 1.00 73.33 H new ATOM 0 HB2 LYS A 39 4.588 -11.692 9.404 1.00 22.32 H new ATOM 0 HB3 LYS A 39 6.332 -11.848 9.346 1.00 22.32 H new ATOM 0 HG2 LYS A 39 6.451 -11.125 11.744 1.00 52.13 H new ATOM 0 HG3 LYS A 39 4.701 -11.049 11.788 1.00 52.13 H new ATOM 0 HD2 LYS A 39 4.601 -13.492 11.212 1.00 74.40 H new ATOM 0 HD3 LYS A 39 6.352 -13.553 11.233 1.00 74.40 H new ATOM 0 HE2 LYS A 39 6.307 -12.745 13.624 1.00 51.13 H new ATOM 0 HE3 LYS A 39 4.556 -12.819 13.583 1.00 51.13 H new ATOM 0 HZ1 LYS A 39 5.494 -14.797 14.576 1.00 2.22 H new ATOM 0 HZ2 LYS A 39 4.694 -15.196 13.132 1.00 2.22 H new ATOM 0 HZ3 LYS A 39 6.390 -15.124 13.171 1.00 2.22 H new ATOM 677 N ASP A 40 8.035 -9.476 9.067 1.00 3.02 N ATOM 678 CA ASP A 40 9.390 -8.975 9.353 1.00 72.11 C ATOM 679 C ASP A 40 9.369 -7.477 9.694 1.00 74.52 C ATOM 680 O ASP A 40 9.999 -7.036 10.661 1.00 33.41 O ATOM 681 CB ASP A 40 10.322 -9.193 8.148 1.00 4.33 C ATOM 682 CG ASP A 40 10.449 -10.646 7.727 1.00 4.41 C ATOM 683 OD1 ASP A 40 10.249 -11.542 8.571 1.00 11.34 O ATOM 684 OD2 ASP A 40 10.769 -10.895 6.546 1.00 24.41 O ATOM 0 H ASP A 40 7.957 -9.989 8.189 1.00 3.02 H new ATOM 0 HA ASP A 40 9.763 -9.535 10.211 1.00 72.11 H new ATOM 0 HB2 ASP A 40 9.952 -8.611 7.304 1.00 4.33 H new ATOM 0 HB3 ASP A 40 11.312 -8.807 8.392 1.00 4.33 H new ATOM 689 N SER A 41 8.633 -6.708 8.893 1.00 14.15 N ATOM 690 CA SER A 41 8.514 -5.255 9.092 1.00 45.35 C ATOM 691 C SER A 41 7.898 -4.929 10.461 1.00 35.01 C ATOM 692 O SER A 41 8.450 -4.146 11.236 1.00 33.34 O ATOM 693 CB SER A 41 7.654 -4.631 7.978 1.00 63.22 C ATOM 694 OG SER A 41 6.283 -4.956 8.136 1.00 73.14 O ATOM 0 H SER A 41 8.106 -7.064 8.095 1.00 14.15 H new ATOM 0 HA SER A 41 9.518 -4.832 9.055 1.00 45.35 H new ATOM 0 HB2 SER A 41 7.776 -3.548 7.987 1.00 63.22 H new ATOM 0 HB3 SER A 41 8.003 -4.983 7.007 1.00 63.22 H new ATOM 0 HG SER A 41 6.150 -5.910 7.957 1.00 73.14 H new ATOM 700 N ILE A 42 6.758 -5.552 10.758 1.00 62.51 N ATOM 701 CA ILE A 42 6.055 -5.342 12.029 1.00 30.03 C ATOM 702 C ILE A 42 6.927 -5.736 13.236 1.00 63.52 C ATOM 703 O ILE A 42 6.884 -5.087 14.287 1.00 72.51 O ATOM 704 CB ILE A 42 4.723 -6.138 12.064 1.00 65.22 C ATOM 705 CG1 ILE A 42 3.810 -5.692 10.907 1.00 60.02 C ATOM 706 CG2 ILE A 42 4.016 -5.963 13.411 1.00 32.10 C ATOM 707 CD1 ILE A 42 2.476 -6.410 10.860 1.00 10.42 C ATOM 0 H ILE A 42 6.296 -6.212 10.132 1.00 62.51 H new ATOM 0 HA ILE A 42 5.836 -4.276 12.099 1.00 30.03 H new ATOM 0 HB ILE A 42 4.950 -7.197 11.942 1.00 65.22 H new ATOM 0 HG12 ILE A 42 3.631 -4.620 10.992 1.00 60.02 H new ATOM 0 HG13 ILE A 42 4.331 -5.854 9.964 1.00 60.02 H new ATOM 0 HG21 ILE A 42 3.085 -6.531 13.410 1.00 32.10 H new ATOM 0 HG22 ILE A 42 4.662 -6.326 14.211 1.00 32.10 H new ATOM 0 HG23 ILE A 42 3.797 -4.908 13.573 1.00 32.10 H new ATOM 0 HD11 ILE A 42 1.893 -6.039 10.017 1.00 10.42 H new ATOM 0 HD12 ILE A 42 2.643 -7.481 10.742 1.00 10.42 H new ATOM 0 HD13 ILE A 42 1.932 -6.227 11.787 1.00 10.42 H new ATOM 719 N GLU A 43 7.725 -6.790 13.078 1.00 13.11 N ATOM 720 CA GLU A 43 8.635 -7.241 14.140 1.00 14.21 C ATOM 721 C GLU A 43 9.769 -6.230 14.383 1.00 24.31 C ATOM 722 O GLU A 43 10.417 -6.252 15.430 1.00 35.25 O ATOM 723 CB GLU A 43 9.216 -8.626 13.807 1.00 1.43 C ATOM 724 CG GLU A 43 8.158 -9.720 13.688 1.00 62.03 C ATOM 725 CD GLU A 43 8.758 -11.106 13.500 1.00 64.33 C ATOM 726 OE1 GLU A 43 9.340 -11.368 12.425 1.00 71.03 O ATOM 727 OE2 GLU A 43 8.663 -11.934 14.434 1.00 45.13 O ATOM 0 H GLU A 43 7.763 -7.351 12.227 1.00 13.11 H new ATOM 0 HA GLU A 43 8.053 -7.316 15.058 1.00 14.21 H new ATOM 0 HB2 GLU A 43 9.769 -8.563 12.870 1.00 1.43 H new ATOM 0 HB3 GLU A 43 9.931 -8.906 14.580 1.00 1.43 H new ATOM 0 HG2 GLU A 43 7.537 -9.717 14.584 1.00 62.03 H new ATOM 0 HG3 GLU A 43 7.504 -9.496 12.846 1.00 62.03 H new ATOM 734 N GLU A 44 10.017 -5.355 13.406 1.00 4.52 N ATOM 735 CA GLU A 44 11.021 -4.291 13.553 1.00 61.41 C ATOM 736 C GLU A 44 10.422 -2.995 14.126 1.00 72.50 C ATOM 737 O GLU A 44 11.155 -2.142 14.625 1.00 42.44 O ATOM 738 CB GLU A 44 11.706 -4.006 12.210 1.00 4.02 C ATOM 739 CG GLU A 44 12.634 -5.124 11.749 1.00 65.31 C ATOM 740 CD GLU A 44 13.784 -5.367 12.720 1.00 34.54 C ATOM 741 OE1 GLU A 44 14.802 -4.655 12.628 1.00 13.44 O ATOM 742 OE2 GLU A 44 13.675 -6.274 13.579 1.00 53.43 O ATOM 0 H GLU A 44 9.539 -5.359 12.505 1.00 4.52 H new ATOM 0 HA GLU A 44 11.762 -4.651 14.267 1.00 61.41 H new ATOM 0 HB2 GLU A 44 10.942 -3.842 11.450 1.00 4.02 H new ATOM 0 HB3 GLU A 44 12.277 -3.081 12.292 1.00 4.02 H new ATOM 0 HG2 GLU A 44 12.060 -6.043 11.633 1.00 65.31 H new ATOM 0 HG3 GLU A 44 13.038 -4.875 10.768 1.00 65.31 H new ATOM 749 N LEU A 45 9.098 -2.843 14.059 1.00 11.22 N ATOM 750 CA LEU A 45 8.430 -1.653 14.614 1.00 72.23 C ATOM 751 C LEU A 45 8.759 -1.464 16.107 1.00 73.35 C ATOM 752 O LEU A 45 8.912 -0.337 16.583 1.00 62.24 O ATOM 753 CB LEU A 45 6.910 -1.741 14.414 1.00 15.52 C ATOM 754 CG LEU A 45 6.436 -1.733 12.949 1.00 2.13 C ATOM 755 CD1 LEU A 45 4.915 -1.830 12.873 1.00 23.40 C ATOM 756 CD2 LEU A 45 6.933 -0.479 12.230 1.00 55.40 C ATOM 0 H LEU A 45 8.467 -3.520 13.631 1.00 11.22 H new ATOM 0 HA LEU A 45 8.807 -0.785 14.074 1.00 72.23 H new ATOM 0 HB2 LEU A 45 6.550 -2.653 14.890 1.00 15.52 H new ATOM 0 HB3 LEU A 45 6.443 -0.905 14.934 1.00 15.52 H new ATOM 0 HG LEU A 45 6.858 -2.605 12.449 1.00 2.13 H new ATOM 0 HD11 LEU A 45 4.602 -1.823 11.829 1.00 23.40 H new ATOM 0 HD12 LEU A 45 4.585 -2.756 13.344 1.00 23.40 H new ATOM 0 HD13 LEU A 45 4.470 -0.981 13.391 1.00 23.40 H new ATOM 0 HD21 LEU A 45 6.588 -0.492 11.196 1.00 55.40 H new ATOM 0 HD22 LEU A 45 6.543 0.407 12.732 1.00 55.40 H new ATOM 0 HD23 LEU A 45 8.023 -0.457 12.249 1.00 55.40 H new ATOM 768 N VAL A 46 8.872 -2.576 16.837 1.00 62.51 N ATOM 769 CA VAL A 46 9.272 -2.537 18.252 1.00 43.11 C ATOM 770 C VAL A 46 10.675 -1.922 18.419 1.00 45.22 C ATOM 771 O VAL A 46 10.967 -1.264 19.420 1.00 43.11 O ATOM 772 CB VAL A 46 9.250 -3.955 18.886 1.00 54.24 C ATOM 773 CG1 VAL A 46 10.193 -4.903 18.149 1.00 53.55 C ATOM 774 CG2 VAL A 46 9.600 -3.895 20.374 1.00 33.32 C ATOM 0 H VAL A 46 8.694 -3.513 16.476 1.00 62.51 H new ATOM 0 HA VAL A 46 8.547 -1.909 18.770 1.00 43.11 H new ATOM 0 HB VAL A 46 8.237 -4.345 18.790 1.00 54.24 H new ATOM 0 HG11 VAL A 46 10.156 -5.888 18.615 1.00 53.55 H new ATOM 0 HG12 VAL A 46 9.886 -4.983 17.106 1.00 53.55 H new ATOM 0 HG13 VAL A 46 11.211 -4.516 18.199 1.00 53.55 H new ATOM 0 HG21 VAL A 46 9.578 -4.901 20.794 1.00 33.32 H new ATOM 0 HG22 VAL A 46 10.597 -3.473 20.496 1.00 33.32 H new ATOM 0 HG23 VAL A 46 8.875 -3.269 20.893 1.00 33.32 H new ATOM 784 N LYS A 47 11.529 -2.131 17.418 1.00 41.12 N ATOM 785 CA LYS A 47 12.883 -1.572 17.419 1.00 22.15 C ATOM 786 C LYS A 47 12.831 -0.058 17.165 1.00 1.55 C ATOM 787 O LYS A 47 13.027 0.747 18.076 1.00 51.40 O ATOM 788 CB LYS A 47 13.740 -2.247 16.333 1.00 13.44 C ATOM 789 CG LYS A 47 13.634 -3.772 16.302 1.00 30.03 C ATOM 790 CD LYS A 47 14.270 -4.432 17.519 1.00 73.30 C ATOM 791 CE LYS A 47 14.209 -5.953 17.417 1.00 51.15 C ATOM 792 NZ LYS A 47 14.881 -6.458 16.186 1.00 34.42 N ATOM 0 H LYS A 47 11.307 -2.686 16.591 1.00 41.12 H new ATOM 0 HA LYS A 47 13.332 -1.757 18.395 1.00 22.15 H new ATOM 0 HB2 LYS A 47 13.446 -1.855 15.359 1.00 13.44 H new ATOM 0 HB3 LYS A 47 14.783 -1.970 16.486 1.00 13.44 H new ATOM 0 HG2 LYS A 47 12.584 -4.058 16.247 1.00 30.03 H new ATOM 0 HG3 LYS A 47 14.114 -4.147 15.398 1.00 30.03 H new ATOM 0 HD2 LYS A 47 15.308 -4.112 17.608 1.00 73.30 H new ATOM 0 HD3 LYS A 47 13.757 -4.105 18.423 1.00 73.30 H new ATOM 0 HE2 LYS A 47 14.681 -6.394 18.295 1.00 51.15 H new ATOM 0 HE3 LYS A 47 13.168 -6.275 17.420 1.00 51.15 H new ATOM 0 HZ1 LYS A 47 15.074 -7.475 16.288 1.00 34.42 H new ATOM 0 HZ2 LYS A 47 14.262 -6.304 15.364 1.00 34.42 H new ATOM 0 HZ3 LYS A 47 15.777 -5.948 16.045 1.00 34.42 H new ATOM 806 N LYS A 48 12.544 0.318 15.916 1.00 35.41 N ATOM 807 CA LYS A 48 12.452 1.728 15.519 1.00 5.34 C ATOM 808 C LYS A 48 11.342 1.945 14.477 1.00 31.25 C ATOM 809 O LYS A 48 11.352 1.328 13.409 1.00 3.41 O ATOM 810 CB LYS A 48 13.785 2.209 14.922 1.00 54.43 C ATOM 811 CG LYS A 48 14.961 2.207 15.893 1.00 43.23 C ATOM 812 CD LYS A 48 16.249 2.661 15.211 1.00 24.14 C ATOM 813 CE LYS A 48 16.106 4.055 14.607 1.00 54.14 C ATOM 814 NZ LYS A 48 17.281 4.425 13.780 1.00 2.25 N ATOM 0 H LYS A 48 12.370 -0.339 15.156 1.00 35.41 H new ATOM 0 HA LYS A 48 12.218 2.300 16.417 1.00 5.34 H new ATOM 0 HB2 LYS A 48 14.035 1.576 14.071 1.00 54.43 H new ATOM 0 HB3 LYS A 48 13.651 3.220 14.539 1.00 54.43 H new ATOM 0 HG2 LYS A 48 14.741 2.865 16.734 1.00 43.23 H new ATOM 0 HG3 LYS A 48 15.097 1.205 16.300 1.00 43.23 H new ATOM 0 HD2 LYS A 48 17.064 2.660 15.935 1.00 24.14 H new ATOM 0 HD3 LYS A 48 16.516 1.951 14.428 1.00 24.14 H new ATOM 0 HE2 LYS A 48 15.205 4.094 13.995 1.00 54.14 H new ATOM 0 HE3 LYS A 48 15.981 4.785 15.406 1.00 54.14 H new ATOM 0 HZ1 LYS A 48 17.144 5.379 13.389 1.00 2.25 H new ATOM 0 HZ2 LYS A 48 18.138 4.413 14.369 1.00 2.25 H new ATOM 0 HZ3 LYS A 48 17.386 3.743 13.002 1.00 2.25 H new ATOM 828 N TYR A 49 10.395 2.831 14.777 1.00 1.22 N ATOM 829 CA TYR A 49 9.380 3.229 13.792 1.00 65.32 C ATOM 830 C TYR A 49 9.995 4.175 12.740 1.00 22.11 C ATOM 831 O TYR A 49 9.773 5.384 12.754 1.00 55.32 O ATOM 832 CB TYR A 49 8.155 3.867 14.485 1.00 45.24 C ATOM 833 CG TYR A 49 8.475 5.025 15.426 1.00 1.34 C ATOM 834 CD1 TYR A 49 9.002 4.790 16.695 1.00 24.20 C ATOM 835 CD2 TYR A 49 8.248 6.347 15.052 1.00 11.35 C ATOM 836 CE1 TYR A 49 9.295 5.834 17.553 1.00 4.43 C ATOM 837 CE2 TYR A 49 8.540 7.394 15.907 1.00 44.25 C ATOM 838 CZ TYR A 49 9.061 7.131 17.154 1.00 22.24 C ATOM 839 OH TYR A 49 9.354 8.171 18.008 1.00 70.12 O ATOM 0 H TYR A 49 10.305 3.286 15.685 1.00 1.22 H new ATOM 0 HA TYR A 49 9.029 2.336 13.275 1.00 65.32 H new ATOM 0 HB2 TYR A 49 7.467 4.222 13.718 1.00 45.24 H new ATOM 0 HB3 TYR A 49 7.633 3.094 15.049 1.00 45.24 H new ATOM 0 HD1 TYR A 49 9.185 3.774 17.014 1.00 24.20 H new ATOM 0 HD2 TYR A 49 7.836 6.559 14.076 1.00 11.35 H new ATOM 0 HE1 TYR A 49 9.705 5.633 18.532 1.00 4.43 H new ATOM 0 HE2 TYR A 49 8.360 8.413 15.598 1.00 44.25 H new ATOM 0 HH TYR A 49 9.132 9.022 17.576 1.00 70.12 H new ATOM 849 N ASN A 50 10.805 3.604 11.847 1.00 72.24 N ATOM 850 CA ASN A 50 11.544 4.387 10.845 1.00 41.14 C ATOM 851 C ASN A 50 10.669 4.739 9.629 1.00 71.42 C ATOM 852 O ASN A 50 9.718 4.026 9.302 1.00 13.32 O ATOM 853 CB ASN A 50 12.790 3.608 10.390 1.00 51.32 C ATOM 854 CG ASN A 50 13.674 4.411 9.449 1.00 64.24 C ATOM 855 OD1 ASN A 50 13.737 5.633 9.529 1.00 63.42 O ATOM 856 ND2 ASN A 50 14.365 3.733 8.555 1.00 71.25 N ATOM 0 H ASN A 50 10.969 2.599 11.794 1.00 72.24 H new ATOM 0 HA ASN A 50 11.846 5.324 11.313 1.00 41.14 H new ATOM 0 HB2 ASN A 50 13.370 3.315 11.265 1.00 51.32 H new ATOM 0 HB3 ASN A 50 12.478 2.690 9.893 1.00 51.32 H new ATOM 0 HD21 ASN A 50 14.976 4.225 7.902 1.00 71.25 H new ATOM 0 HD22 ASN A 50 14.289 2.717 8.516 1.00 71.25 H new ATOM 863 N ALA A 51 11.010 5.836 8.951 1.00 34.14 N ATOM 864 CA ALA A 51 10.261 6.290 7.775 1.00 64.32 C ATOM 865 C ALA A 51 10.477 5.361 6.568 1.00 51.01 C ATOM 866 O ALA A 51 11.286 5.640 5.677 1.00 12.54 O ATOM 867 CB ALA A 51 10.649 7.723 7.424 1.00 11.20 C ATOM 0 H ALA A 51 11.803 6.429 9.196 1.00 34.14 H new ATOM 0 HA ALA A 51 9.200 6.260 8.024 1.00 64.32 H new ATOM 0 HB1 ALA A 51 10.086 8.048 6.549 1.00 11.20 H new ATOM 0 HB2 ALA A 51 10.423 8.378 8.265 1.00 11.20 H new ATOM 0 HB3 ALA A 51 11.716 7.768 7.206 1.00 11.20 H new ATOM 873 N THR A 52 9.765 4.240 6.560 1.00 53.30 N ATOM 874 CA THR A 52 9.845 3.268 5.462 1.00 13.35 C ATOM 875 C THR A 52 8.447 2.865 4.985 1.00 33.51 C ATOM 876 O THR A 52 7.647 2.342 5.757 1.00 20.14 O ATOM 877 CB THR A 52 10.618 1.990 5.885 1.00 64.35 C ATOM 878 OG1 THR A 52 11.961 2.328 6.274 1.00 42.35 O ATOM 879 CG2 THR A 52 10.660 0.968 4.748 1.00 24.44 C ATOM 0 H THR A 52 9.120 3.975 7.304 1.00 53.30 H new ATOM 0 HA THR A 52 10.384 3.755 4.649 1.00 13.35 H new ATOM 0 HB THR A 52 10.092 1.547 6.731 1.00 64.35 H new ATOM 0 HG1 THR A 52 12.439 1.515 6.540 1.00 42.35 H new ATOM 0 HG21 THR A 52 11.208 0.084 5.074 1.00 24.44 H new ATOM 0 HG22 THR A 52 9.643 0.685 4.475 1.00 24.44 H new ATOM 0 HG23 THR A 52 11.159 1.406 3.883 1.00 24.44 H new ATOM 887 N ILE A 53 8.162 3.107 3.710 1.00 51.45 N ATOM 888 CA ILE A 53 6.866 2.757 3.129 1.00 13.43 C ATOM 889 C ILE A 53 6.851 1.297 2.653 1.00 45.13 C ATOM 890 O ILE A 53 7.604 0.913 1.752 1.00 40.44 O ATOM 891 CB ILE A 53 6.510 3.692 1.943 1.00 62.03 C ATOM 892 CG1 ILE A 53 6.495 5.162 2.405 1.00 53.03 C ATOM 893 CG2 ILE A 53 5.160 3.298 1.341 1.00 42.44 C ATOM 894 CD1 ILE A 53 6.103 6.147 1.318 1.00 55.51 C ATOM 0 H ILE A 53 8.811 3.545 3.056 1.00 51.45 H new ATOM 0 HA ILE A 53 6.118 2.883 3.912 1.00 13.43 H new ATOM 0 HB ILE A 53 7.272 3.584 1.172 1.00 62.03 H new ATOM 0 HG12 ILE A 53 5.801 5.263 3.240 1.00 53.03 H new ATOM 0 HG13 ILE A 53 7.484 5.425 2.779 1.00 53.03 H new ATOM 0 HG21 ILE A 53 4.924 3.963 0.510 1.00 42.44 H new ATOM 0 HG22 ILE A 53 5.208 2.270 0.981 1.00 42.44 H new ATOM 0 HG23 ILE A 53 4.384 3.380 2.102 1.00 42.44 H new ATOM 0 HD11 ILE A 53 6.116 7.159 1.722 1.00 55.51 H new ATOM 0 HD12 ILE A 53 6.810 6.077 0.491 1.00 55.51 H new ATOM 0 HD13 ILE A 53 5.101 5.913 0.959 1.00 55.51 H new ATOM 906 N VAL A 54 6.003 0.480 3.270 1.00 23.21 N ATOM 907 CA VAL A 54 5.889 -0.933 2.897 1.00 1.54 C ATOM 908 C VAL A 54 4.870 -1.130 1.757 1.00 55.14 C ATOM 909 O VAL A 54 3.681 -0.835 1.895 1.00 23.23 O ATOM 910 CB VAL A 54 5.520 -1.818 4.119 1.00 41.44 C ATOM 911 CG1 VAL A 54 4.226 -1.344 4.782 1.00 21.51 C ATOM 912 CG2 VAL A 54 5.428 -3.291 3.714 1.00 61.04 C ATOM 0 H VAL A 54 5.385 0.767 4.029 1.00 23.21 H new ATOM 0 HA VAL A 54 6.868 -1.251 2.537 1.00 1.54 H new ATOM 0 HB VAL A 54 6.317 -1.719 4.856 1.00 41.44 H new ATOM 0 HG11 VAL A 54 3.997 -1.985 5.633 1.00 21.51 H new ATOM 0 HG12 VAL A 54 4.348 -0.316 5.124 1.00 21.51 H new ATOM 0 HG13 VAL A 54 3.409 -1.392 4.062 1.00 21.51 H new ATOM 0 HG21 VAL A 54 5.169 -3.892 4.585 1.00 61.04 H new ATOM 0 HG22 VAL A 54 4.661 -3.411 2.949 1.00 61.04 H new ATOM 0 HG23 VAL A 54 6.389 -3.620 3.319 1.00 61.04 H new ATOM 922 N VAL A 55 5.355 -1.618 0.621 1.00 71.20 N ATOM 923 CA VAL A 55 4.523 -1.790 -0.572 1.00 3.23 C ATOM 924 C VAL A 55 4.176 -3.269 -0.809 1.00 12.22 C ATOM 925 O VAL A 55 5.010 -4.049 -1.267 1.00 64.41 O ATOM 926 CB VAL A 55 5.234 -1.217 -1.823 1.00 63.11 C ATOM 927 CG1 VAL A 55 4.347 -1.340 -3.058 1.00 74.20 C ATOM 928 CG2 VAL A 55 5.652 0.236 -1.590 1.00 44.34 C ATOM 0 H VAL A 55 6.326 -1.904 0.497 1.00 71.20 H new ATOM 0 HA VAL A 55 3.597 -1.241 -0.402 1.00 3.23 H new ATOM 0 HB VAL A 55 6.136 -1.804 -2.000 1.00 63.11 H new ATOM 0 HG11 VAL A 55 4.869 -0.931 -3.923 1.00 74.20 H new ATOM 0 HG12 VAL A 55 4.116 -2.390 -3.237 1.00 74.20 H new ATOM 0 HG13 VAL A 55 3.421 -0.787 -2.898 1.00 74.20 H new ATOM 0 HG21 VAL A 55 6.150 0.619 -2.481 1.00 44.34 H new ATOM 0 HG22 VAL A 55 4.769 0.839 -1.380 1.00 44.34 H new ATOM 0 HG23 VAL A 55 6.336 0.286 -0.743 1.00 44.34 H new ATOM 938 N VAL A 56 2.943 -3.649 -0.488 1.00 15.45 N ATOM 939 CA VAL A 56 2.492 -5.032 -0.662 1.00 12.05 C ATOM 940 C VAL A 56 2.005 -5.283 -2.099 1.00 21.45 C ATOM 941 O VAL A 56 0.962 -4.769 -2.518 1.00 73.44 O ATOM 942 CB VAL A 56 1.358 -5.387 0.337 1.00 13.15 C ATOM 943 CG1 VAL A 56 0.931 -6.850 0.189 1.00 63.42 C ATOM 944 CG2 VAL A 56 1.791 -5.088 1.773 1.00 0.44 C ATOM 0 H VAL A 56 2.236 -3.021 -0.106 1.00 15.45 H new ATOM 0 HA VAL A 56 3.351 -5.673 -0.462 1.00 12.05 H new ATOM 0 HB VAL A 56 0.495 -4.763 0.104 1.00 13.15 H new ATOM 0 HG11 VAL A 56 0.136 -7.071 0.901 1.00 63.42 H new ATOM 0 HG12 VAL A 56 0.569 -7.023 -0.825 1.00 63.42 H new ATOM 0 HG13 VAL A 56 1.784 -7.500 0.385 1.00 63.42 H new ATOM 0 HG21 VAL A 56 0.982 -5.344 2.458 1.00 0.44 H new ATOM 0 HG22 VAL A 56 2.674 -5.679 2.017 1.00 0.44 H new ATOM 0 HG23 VAL A 56 2.026 -4.028 1.869 1.00 0.44 H new ATOM 954 N VAL A 57 2.769 -6.068 -2.852 1.00 32.05 N ATOM 955 CA VAL A 57 2.421 -6.392 -4.239 1.00 31.11 C ATOM 956 C VAL A 57 1.551 -7.655 -4.302 1.00 22.22 C ATOM 957 O VAL A 57 2.023 -8.765 -4.045 1.00 1.11 O ATOM 958 CB VAL A 57 3.691 -6.598 -5.099 1.00 14.31 C ATOM 959 CG1 VAL A 57 3.327 -6.816 -6.568 1.00 45.10 C ATOM 960 CG2 VAL A 57 4.637 -5.412 -4.941 1.00 51.21 C ATOM 0 H VAL A 57 3.637 -6.495 -2.527 1.00 32.05 H new ATOM 0 HA VAL A 57 1.858 -5.549 -4.639 1.00 31.11 H new ATOM 0 HB VAL A 57 4.203 -7.494 -4.747 1.00 14.31 H new ATOM 0 HG11 VAL A 57 4.237 -6.958 -7.151 1.00 45.10 H new ATOM 0 HG12 VAL A 57 2.696 -7.700 -6.659 1.00 45.10 H new ATOM 0 HG13 VAL A 57 2.788 -5.945 -6.942 1.00 45.10 H new ATOM 0 HG21 VAL A 57 5.526 -5.571 -5.552 1.00 51.21 H new ATOM 0 HG22 VAL A 57 4.134 -4.500 -5.263 1.00 51.21 H new ATOM 0 HG23 VAL A 57 4.928 -5.316 -3.895 1.00 51.21 H new ATOM 970 N VAL A 58 0.280 -7.479 -4.651 1.00 22.44 N ATOM 971 CA VAL A 58 -0.689 -8.576 -4.628 1.00 24.04 C ATOM 972 C VAL A 58 -1.085 -9.042 -6.039 1.00 74.25 C ATOM 973 O VAL A 58 -1.128 -8.255 -6.984 1.00 62.44 O ATOM 974 CB VAL A 58 -1.966 -8.174 -3.844 1.00 64.35 C ATOM 975 CG1 VAL A 58 -1.619 -7.787 -2.406 1.00 14.12 C ATOM 976 CG2 VAL A 58 -2.698 -7.035 -4.544 1.00 62.33 C ATOM 0 H VAL A 58 -0.106 -6.585 -4.954 1.00 22.44 H new ATOM 0 HA VAL A 58 -0.196 -9.407 -4.124 1.00 24.04 H new ATOM 0 HB VAL A 58 -2.630 -9.038 -3.816 1.00 64.35 H new ATOM 0 HG11 VAL A 58 -2.529 -7.509 -1.874 1.00 14.12 H new ATOM 0 HG12 VAL A 58 -1.150 -8.634 -1.904 1.00 14.12 H new ATOM 0 HG13 VAL A 58 -0.930 -6.942 -2.413 1.00 14.12 H new ATOM 0 HG21 VAL A 58 -3.590 -6.771 -3.975 1.00 62.33 H new ATOM 0 HG22 VAL A 58 -2.041 -6.168 -4.612 1.00 62.33 H new ATOM 0 HG23 VAL A 58 -2.987 -7.350 -5.546 1.00 62.33 H new ATOM 986 N ASP A 59 -1.353 -10.339 -6.165 1.00 32.45 N ATOM 987 CA ASP A 59 -1.838 -10.921 -7.421 1.00 13.22 C ATOM 988 C ASP A 59 -3.369 -10.790 -7.548 1.00 53.24 C ATOM 989 O ASP A 59 -3.875 -10.184 -8.494 1.00 54.35 O ATOM 990 CB ASP A 59 -1.401 -12.393 -7.522 1.00 1.11 C ATOM 991 CG ASP A 59 -1.414 -13.104 -6.175 1.00 44.53 C ATOM 992 OD1 ASP A 59 -2.501 -13.503 -5.708 1.00 70.24 O ATOM 993 OD2 ASP A 59 -0.335 -13.240 -5.564 1.00 64.13 O ATOM 0 H ASP A 59 -1.243 -11.014 -5.409 1.00 32.45 H new ATOM 0 HA ASP A 59 -1.396 -10.366 -8.249 1.00 13.22 H new ATOM 0 HB2 ASP A 59 -2.062 -12.918 -8.211 1.00 1.11 H new ATOM 0 HB3 ASP A 59 -0.397 -12.442 -7.944 1.00 1.11 H new ATOM 998 N ASP A 60 -4.098 -11.362 -6.592 1.00 33.13 N ATOM 999 CA ASP A 60 -5.564 -11.290 -6.579 1.00 61.32 C ATOM 1000 C ASP A 60 -6.095 -10.657 -5.282 1.00 33.42 C ATOM 1001 O ASP A 60 -5.334 -10.358 -4.355 1.00 14.41 O ATOM 1002 CB ASP A 60 -6.164 -12.692 -6.743 1.00 34.33 C ATOM 1003 CG ASP A 60 -5.851 -13.307 -8.093 1.00 41.42 C ATOM 1004 OD1 ASP A 60 -6.354 -12.790 -9.112 1.00 64.24 O ATOM 1005 OD2 ASP A 60 -5.122 -14.319 -8.142 1.00 33.32 O ATOM 0 H ASP A 60 -3.699 -11.883 -5.812 1.00 33.13 H new ATOM 0 HA ASP A 60 -5.865 -10.657 -7.414 1.00 61.32 H new ATOM 0 HB2 ASP A 60 -5.782 -13.341 -5.955 1.00 34.33 H new ATOM 0 HB3 ASP A 60 -7.245 -12.638 -6.615 1.00 34.33 H new ATOM 1010 N LYS A 61 -7.415 -10.470 -5.221 1.00 21.15 N ATOM 1011 CA LYS A 61 -8.071 -9.942 -4.019 1.00 11.33 C ATOM 1012 C LYS A 61 -7.852 -10.867 -2.810 1.00 21.33 C ATOM 1013 O LYS A 61 -7.849 -10.414 -1.669 1.00 65.53 O ATOM 1014 CB LYS A 61 -9.578 -9.755 -4.259 1.00 62.21 C ATOM 1015 CG LYS A 61 -9.917 -8.745 -5.354 1.00 52.43 C ATOM 1016 CD LYS A 61 -11.429 -8.625 -5.564 1.00 3.44 C ATOM 1017 CE LYS A 61 -12.146 -8.154 -4.300 1.00 24.25 C ATOM 1018 NZ LYS A 61 -13.625 -8.206 -4.442 1.00 62.23 N ATOM 0 H LYS A 61 -8.053 -10.676 -5.990 1.00 21.15 H new ATOM 0 HA LYS A 61 -7.620 -8.974 -3.801 1.00 11.33 H new ATOM 0 HB2 LYS A 61 -10.015 -10.719 -4.521 1.00 62.21 H new ATOM 0 HB3 LYS A 61 -10.046 -9.435 -3.328 1.00 62.21 H new ATOM 0 HG2 LYS A 61 -9.508 -7.770 -5.089 1.00 52.43 H new ATOM 0 HG3 LYS A 61 -9.443 -9.047 -6.288 1.00 52.43 H new ATOM 0 HD2 LYS A 61 -11.628 -7.925 -6.376 1.00 3.44 H new ATOM 0 HD3 LYS A 61 -11.830 -9.591 -5.870 1.00 3.44 H new ATOM 0 HE2 LYS A 61 -11.841 -8.776 -3.458 1.00 24.25 H new ATOM 0 HE3 LYS A 61 -11.840 -7.133 -4.070 1.00 24.25 H new ATOM 0 HZ1 LYS A 61 -14.059 -8.349 -3.508 1.00 62.23 H new ATOM 0 HZ2 LYS A 61 -13.966 -7.312 -4.849 1.00 62.23 H new ATOM 0 HZ3 LYS A 61 -13.886 -8.994 -5.069 1.00 62.23 H new ATOM 1032 N GLU A 62 -7.672 -12.161 -3.074 1.00 34.04 N ATOM 1033 CA GLU A 62 -7.427 -13.155 -2.020 1.00 10.22 C ATOM 1034 C GLU A 62 -6.235 -12.763 -1.124 1.00 2.43 C ATOM 1035 O GLU A 62 -6.389 -12.570 0.085 1.00 23.04 O ATOM 1036 CB GLU A 62 -7.179 -14.531 -2.658 1.00 4.12 C ATOM 1037 CG GLU A 62 -6.972 -15.661 -1.653 1.00 23.24 C ATOM 1038 CD GLU A 62 -8.141 -15.820 -0.689 1.00 45.40 C ATOM 1039 OE1 GLU A 62 -9.293 -15.927 -1.156 1.00 22.11 O ATOM 1040 OE2 GLU A 62 -7.908 -15.847 0.542 1.00 52.42 O ATOM 0 H GLU A 62 -7.691 -12.551 -4.016 1.00 34.04 H new ATOM 0 HA GLU A 62 -8.312 -13.196 -1.385 1.00 10.22 H new ATOM 0 HB2 GLU A 62 -8.026 -14.780 -3.298 1.00 4.12 H new ATOM 0 HB3 GLU A 62 -6.301 -14.467 -3.301 1.00 4.12 H new ATOM 0 HG2 GLU A 62 -6.822 -16.597 -2.192 1.00 23.24 H new ATOM 0 HG3 GLU A 62 -6.062 -15.472 -1.084 1.00 23.24 H new ATOM 1047 N TRP A 63 -5.054 -12.647 -1.725 1.00 1.01 N ATOM 1048 CA TRP A 63 -3.847 -12.239 -0.994 1.00 55.31 C ATOM 1049 C TRP A 63 -3.995 -10.813 -0.424 1.00 61.21 C ATOM 1050 O TRP A 63 -3.564 -10.533 0.696 1.00 64.44 O ATOM 1051 CB TRP A 63 -2.623 -12.358 -1.922 1.00 54.42 C ATOM 1052 CG TRP A 63 -1.343 -11.749 -1.399 1.00 41.10 C ATOM 1053 CD1 TRP A 63 -0.425 -11.068 -2.141 1.00 41.12 C ATOM 1054 CD2 TRP A 63 -0.831 -11.765 -0.051 1.00 62.14 C ATOM 1055 NE1 TRP A 63 0.611 -10.645 -1.348 1.00 3.11 N ATOM 1056 CE2 TRP A 63 0.388 -11.058 -0.063 1.00 41.20 C ATOM 1057 CE3 TRP A 63 -1.284 -12.294 1.161 1.00 20.35 C ATOM 1058 CZ2 TRP A 63 1.156 -10.875 1.087 1.00 44.05 C ATOM 1059 CZ3 TRP A 63 -0.522 -12.111 2.300 1.00 31.20 C ATOM 1060 CH2 TRP A 63 0.685 -11.403 2.256 1.00 42.13 C ATOM 0 H TRP A 63 -4.902 -12.829 -2.717 1.00 1.01 H new ATOM 0 HA TRP A 63 -3.703 -12.903 -0.142 1.00 55.31 H new ATOM 0 HB2 TRP A 63 -2.445 -13.414 -2.125 1.00 54.42 H new ATOM 0 HB3 TRP A 63 -2.865 -11.887 -2.875 1.00 54.42 H new ATOM 0 HD1 TRP A 63 -0.502 -10.887 -3.203 1.00 41.12 H new ATOM 0 HE1 TRP A 63 1.418 -10.108 -1.665 1.00 3.11 H new ATOM 0 HE3 TRP A 63 -2.216 -12.838 1.207 1.00 20.35 H new ATOM 0 HZ2 TRP A 63 2.091 -10.335 1.055 1.00 44.05 H new ATOM 0 HZ3 TRP A 63 -0.863 -12.521 3.239 1.00 31.20 H new ATOM 0 HH2 TRP A 63 1.255 -11.272 3.164 1.00 42.13 H new ATOM 1071 N ALA A 64 -4.629 -9.924 -1.186 1.00 72.23 N ATOM 1072 CA ALA A 64 -4.912 -8.564 -0.706 1.00 3.13 C ATOM 1073 C ALA A 64 -5.704 -8.591 0.616 1.00 41.34 C ATOM 1074 O ALA A 64 -5.391 -7.861 1.561 1.00 73.21 O ATOM 1075 CB ALA A 64 -5.669 -7.777 -1.772 1.00 71.21 C ATOM 0 H ALA A 64 -4.957 -10.115 -2.133 1.00 72.23 H new ATOM 0 HA ALA A 64 -3.962 -8.067 -0.511 1.00 3.13 H new ATOM 0 HB1 ALA A 64 -5.873 -6.771 -1.405 1.00 71.21 H new ATOM 0 HB2 ALA A 64 -5.065 -7.717 -2.678 1.00 71.21 H new ATOM 0 HB3 ALA A 64 -6.610 -8.280 -1.996 1.00 71.21 H new ATOM 1081 N GLU A 65 -6.720 -9.451 0.673 1.00 72.44 N ATOM 1082 CA GLU A 65 -7.517 -9.650 1.888 1.00 40.13 C ATOM 1083 C GLU A 65 -6.665 -10.184 3.046 1.00 3.32 C ATOM 1084 O GLU A 65 -6.710 -9.652 4.155 1.00 15.52 O ATOM 1085 CB GLU A 65 -8.681 -10.616 1.610 1.00 54.51 C ATOM 1086 CG GLU A 65 -9.858 -9.976 0.883 1.00 75.52 C ATOM 1087 CD GLU A 65 -10.618 -8.997 1.765 1.00 24.24 C ATOM 1088 OE1 GLU A 65 -10.165 -7.844 1.922 1.00 72.31 O ATOM 1089 OE2 GLU A 65 -11.664 -9.380 2.328 1.00 35.42 O ATOM 0 H GLU A 65 -7.015 -10.027 -0.115 1.00 72.44 H new ATOM 0 HA GLU A 65 -7.913 -8.678 2.182 1.00 40.13 H new ATOM 0 HB2 GLU A 65 -8.312 -11.452 1.016 1.00 54.51 H new ATOM 0 HB3 GLU A 65 -9.032 -11.027 2.556 1.00 54.51 H new ATOM 0 HG2 GLU A 65 -9.495 -9.456 -0.004 1.00 75.52 H new ATOM 0 HG3 GLU A 65 -10.538 -10.756 0.540 1.00 75.52 H new ATOM 1096 N LYS A 66 -5.894 -11.240 2.786 1.00 74.05 N ATOM 1097 CA LYS A 66 -5.019 -11.831 3.809 1.00 13.11 C ATOM 1098 C LYS A 66 -4.086 -10.768 4.416 1.00 11.14 C ATOM 1099 O LYS A 66 -3.873 -10.728 5.631 1.00 3.22 O ATOM 1100 CB LYS A 66 -4.190 -12.974 3.203 1.00 45.24 C ATOM 1101 CG LYS A 66 -3.319 -13.720 4.215 1.00 75.42 C ATOM 1102 CD LYS A 66 -4.159 -14.457 5.260 1.00 74.41 C ATOM 1103 CE LYS A 66 -3.290 -15.175 6.288 1.00 22.10 C ATOM 1104 NZ LYS A 66 -2.460 -14.224 7.072 1.00 42.31 N ATOM 0 H LYS A 66 -5.855 -11.706 1.879 1.00 74.05 H new ATOM 0 HA LYS A 66 -5.648 -12.230 4.605 1.00 13.11 H new ATOM 0 HB2 LYS A 66 -4.865 -13.685 2.727 1.00 45.24 H new ATOM 0 HB3 LYS A 66 -3.551 -12.568 2.419 1.00 45.24 H new ATOM 0 HG2 LYS A 66 -2.684 -14.434 3.690 1.00 75.42 H new ATOM 0 HG3 LYS A 66 -2.657 -13.013 4.715 1.00 75.42 H new ATOM 0 HD2 LYS A 66 -4.810 -13.746 5.769 1.00 74.41 H new ATOM 0 HD3 LYS A 66 -4.804 -15.181 4.762 1.00 74.41 H new ATOM 0 HE2 LYS A 66 -3.925 -15.746 6.965 1.00 22.10 H new ATOM 0 HE3 LYS A 66 -2.642 -15.889 5.780 1.00 22.10 H new ATOM 0 HZ1 LYS A 66 -2.042 -14.718 7.886 1.00 42.31 H new ATOM 0 HZ2 LYS A 66 -1.701 -13.847 6.469 1.00 42.31 H new ATOM 0 HZ3 LYS A 66 -3.055 -13.441 7.410 1.00 42.31 H new ATOM 1118 N ALA A 67 -3.543 -9.905 3.557 1.00 11.34 N ATOM 1119 CA ALA A 67 -2.679 -8.808 3.997 1.00 32.04 C ATOM 1120 C ALA A 67 -3.416 -7.856 4.954 1.00 72.35 C ATOM 1121 O ALA A 67 -2.955 -7.600 6.068 1.00 32.44 O ATOM 1122 CB ALA A 67 -2.148 -8.042 2.789 1.00 12.23 C ATOM 0 H ALA A 67 -3.687 -9.945 2.548 1.00 11.34 H new ATOM 0 HA ALA A 67 -1.841 -9.240 4.543 1.00 32.04 H new ATOM 0 HB1 ALA A 67 -1.507 -7.228 3.127 1.00 12.23 H new ATOM 0 HB2 ALA A 67 -1.574 -8.717 2.154 1.00 12.23 H new ATOM 0 HB3 ALA A 67 -2.984 -7.633 2.221 1.00 12.23 H new ATOM 1128 N ILE A 68 -4.574 -7.349 4.525 1.00 35.04 N ATOM 1129 CA ILE A 68 -5.373 -6.431 5.351 1.00 71.32 C ATOM 1130 C ILE A 68 -5.796 -7.092 6.676 1.00 2.54 C ATOM 1131 O ILE A 68 -5.722 -6.479 7.744 1.00 64.14 O ATOM 1132 CB ILE A 68 -6.638 -5.943 4.595 1.00 5.24 C ATOM 1133 CG1 ILE A 68 -6.248 -5.241 3.282 1.00 73.34 C ATOM 1134 CG2 ILE A 68 -7.475 -5.011 5.472 1.00 52.34 C ATOM 1135 CD1 ILE A 68 -5.363 -4.023 3.466 1.00 22.23 C ATOM 0 H ILE A 68 -4.982 -7.556 3.613 1.00 35.04 H new ATOM 0 HA ILE A 68 -4.738 -5.572 5.570 1.00 71.32 H new ATOM 0 HB ILE A 68 -7.244 -6.817 4.354 1.00 5.24 H new ATOM 0 HG12 ILE A 68 -5.734 -5.956 2.640 1.00 73.34 H new ATOM 0 HG13 ILE A 68 -7.157 -4.940 2.760 1.00 73.34 H new ATOM 0 HG21 ILE A 68 -8.355 -4.684 4.919 1.00 52.34 H new ATOM 0 HG22 ILE A 68 -7.788 -5.542 6.371 1.00 52.34 H new ATOM 0 HG23 ILE A 68 -6.879 -4.143 5.752 1.00 52.34 H new ATOM 0 HD11 ILE A 68 -5.135 -3.588 2.493 1.00 22.23 H new ATOM 0 HD12 ILE A 68 -5.881 -3.286 4.080 1.00 22.23 H new ATOM 0 HD13 ILE A 68 -4.436 -4.318 3.958 1.00 22.23 H new ATOM 1147 N ARG A 69 -6.229 -8.349 6.600 1.00 44.44 N ATOM 1148 CA ARG A 69 -6.615 -9.119 7.791 1.00 72.35 C ATOM 1149 C ARG A 69 -5.436 -9.273 8.767 1.00 12.23 C ATOM 1150 O ARG A 69 -5.619 -9.287 9.983 1.00 62.10 O ATOM 1151 CB ARG A 69 -7.137 -10.505 7.382 1.00 31.22 C ATOM 1152 CG ARG A 69 -8.438 -10.472 6.585 1.00 15.13 C ATOM 1153 CD ARG A 69 -9.606 -9.962 7.420 1.00 20.45 C ATOM 1154 NE ARG A 69 -9.840 -10.794 8.600 1.00 20.21 N ATOM 1155 CZ ARG A 69 -10.973 -10.861 9.243 1.00 3.32 C ATOM 1156 NH1 ARG A 69 -12.010 -10.198 8.839 1.00 21.31 N ATOM 1157 NH2 ARG A 69 -11.065 -11.616 10.287 1.00 61.24 N ATOM 0 H ARG A 69 -6.323 -8.862 5.723 1.00 44.44 H new ATOM 0 HA ARG A 69 -7.407 -8.569 8.299 1.00 72.35 H new ATOM 0 HB2 ARG A 69 -6.373 -11.008 6.789 1.00 31.22 H new ATOM 0 HB3 ARG A 69 -7.289 -11.103 8.280 1.00 31.22 H new ATOM 0 HG2 ARG A 69 -8.311 -9.834 5.711 1.00 15.13 H new ATOM 0 HG3 ARG A 69 -8.664 -11.473 6.219 1.00 15.13 H new ATOM 0 HD2 ARG A 69 -9.408 -8.937 7.733 1.00 20.45 H new ATOM 0 HD3 ARG A 69 -10.507 -9.940 6.807 1.00 20.45 H new ATOM 0 HE ARG A 69 -9.064 -11.360 8.944 1.00 20.21 H new ATOM 0 HH11 ARG A 69 -11.948 -9.612 8.006 1.00 21.31 H new ATOM 0 HH12 ARG A 69 -12.888 -10.262 9.354 1.00 21.31 H new ATOM 0 HH21 ARG A 69 -10.256 -12.152 10.601 1.00 61.24 H new ATOM 0 HH22 ARG A 69 -11.946 -11.676 10.797 1.00 61.24 H new ATOM 1171 N PHE A 70 -4.228 -9.400 8.222 1.00 52.45 N ATOM 1172 CA PHE A 70 -3.011 -9.493 9.036 1.00 73.14 C ATOM 1173 C PHE A 70 -2.702 -8.144 9.711 1.00 42.54 C ATOM 1174 O PHE A 70 -2.349 -8.092 10.889 1.00 4.23 O ATOM 1175 CB PHE A 70 -1.831 -9.939 8.159 1.00 45.54 C ATOM 1176 CG PHE A 70 -0.573 -10.257 8.929 1.00 2.03 C ATOM 1177 CD1 PHE A 70 -0.452 -11.457 9.616 1.00 43.23 C ATOM 1178 CD2 PHE A 70 0.491 -9.365 8.959 1.00 25.23 C ATOM 1179 CE1 PHE A 70 0.700 -11.759 10.315 1.00 14.43 C ATOM 1180 CE2 PHE A 70 1.643 -9.664 9.659 1.00 74.21 C ATOM 1181 CZ PHE A 70 1.748 -10.861 10.337 1.00 44.23 C ATOM 0 H PHE A 70 -4.062 -9.441 7.216 1.00 52.45 H new ATOM 0 HA PHE A 70 -3.170 -10.233 9.820 1.00 73.14 H new ATOM 0 HB2 PHE A 70 -2.128 -10.820 7.591 1.00 45.54 H new ATOM 0 HB3 PHE A 70 -1.612 -9.153 7.437 1.00 45.54 H new ATOM 0 HD1 PHE A 70 -1.269 -12.163 9.604 1.00 43.23 H new ATOM 0 HD2 PHE A 70 0.417 -8.427 8.429 1.00 25.23 H new ATOM 0 HE1 PHE A 70 0.781 -12.697 10.844 1.00 14.43 H new ATOM 0 HE2 PHE A 70 2.462 -8.961 9.676 1.00 74.21 H new ATOM 0 HZ PHE A 70 2.649 -11.095 10.884 1.00 44.23 H new ATOM 1191 N VAL A 71 -2.853 -7.057 8.957 1.00 22.32 N ATOM 1192 CA VAL A 71 -2.605 -5.703 9.472 1.00 40.35 C ATOM 1193 C VAL A 71 -3.623 -5.300 10.560 1.00 51.15 C ATOM 1194 O VAL A 71 -3.289 -4.563 11.490 1.00 53.31 O ATOM 1195 CB VAL A 71 -2.634 -4.654 8.326 1.00 70.21 C ATOM 1196 CG1 VAL A 71 -2.429 -3.235 8.864 1.00 33.14 C ATOM 1197 CG2 VAL A 71 -1.584 -4.986 7.267 1.00 51.23 C ATOM 0 H VAL A 71 -3.148 -7.084 7.981 1.00 22.32 H new ATOM 0 HA VAL A 71 -1.612 -5.720 9.921 1.00 40.35 H new ATOM 0 HB VAL A 71 -3.619 -4.694 7.862 1.00 70.21 H new ATOM 0 HG11 VAL A 71 -2.455 -2.525 8.037 1.00 33.14 H new ATOM 0 HG12 VAL A 71 -3.223 -2.996 9.572 1.00 33.14 H new ATOM 0 HG13 VAL A 71 -1.464 -3.172 9.366 1.00 33.14 H new ATOM 0 HG21 VAL A 71 -1.620 -4.240 6.473 1.00 51.23 H new ATOM 0 HG22 VAL A 71 -0.594 -4.983 7.723 1.00 51.23 H new ATOM 0 HG23 VAL A 71 -1.788 -5.972 6.849 1.00 51.23 H new ATOM 1207 N LYS A 72 -4.860 -5.795 10.453 1.00 51.44 N ATOM 1208 CA LYS A 72 -5.916 -5.438 11.413 1.00 30.23 C ATOM 1209 C LYS A 72 -5.534 -5.803 12.860 1.00 1.13 C ATOM 1210 O LYS A 72 -5.926 -5.115 13.806 1.00 22.41 O ATOM 1211 CB LYS A 72 -7.249 -6.108 11.041 1.00 32.14 C ATOM 1212 CG LYS A 72 -8.417 -5.643 11.911 1.00 74.14 C ATOM 1213 CD LYS A 72 -9.740 -6.304 11.525 1.00 64.43 C ATOM 1214 CE LYS A 72 -10.889 -5.778 12.381 1.00 33.43 C ATOM 1215 NZ LYS A 72 -12.186 -6.411 12.032 1.00 41.43 N ATOM 0 H LYS A 72 -5.156 -6.439 9.719 1.00 51.44 H new ATOM 0 HA LYS A 72 -6.033 -4.356 11.360 1.00 30.23 H new ATOM 0 HB2 LYS A 72 -7.476 -5.897 9.996 1.00 32.14 H new ATOM 0 HB3 LYS A 72 -7.143 -7.189 11.132 1.00 32.14 H new ATOM 0 HG2 LYS A 72 -8.197 -5.863 12.956 1.00 74.14 H new ATOM 0 HG3 LYS A 72 -8.518 -4.561 11.828 1.00 74.14 H new ATOM 0 HD2 LYS A 72 -9.951 -6.115 10.472 1.00 64.43 H new ATOM 0 HD3 LYS A 72 -9.659 -7.384 11.645 1.00 64.43 H new ATOM 0 HE2 LYS A 72 -10.669 -5.961 13.433 1.00 33.43 H new ATOM 0 HE3 LYS A 72 -10.968 -4.698 12.255 1.00 33.43 H new ATOM 0 HZ1 LYS A 72 -12.936 -6.023 12.639 1.00 41.43 H new ATOM 0 HZ2 LYS A 72 -12.411 -6.215 11.036 1.00 41.43 H new ATOM 0 HZ3 LYS A 72 -12.121 -7.439 12.177 1.00 41.43 H new ATOM 1229 N SER A 73 -4.750 -6.870 13.024 1.00 61.15 N ATOM 1230 CA SER A 73 -4.330 -7.332 14.362 1.00 52.44 C ATOM 1231 C SER A 73 -3.518 -6.261 15.106 1.00 4.21 C ATOM 1232 O SER A 73 -3.356 -6.325 16.326 1.00 34.12 O ATOM 1233 CB SER A 73 -3.504 -8.623 14.262 1.00 74.21 C ATOM 1234 OG SER A 73 -2.254 -8.400 13.620 1.00 3.13 O ATOM 0 H SER A 73 -4.390 -7.434 12.254 1.00 61.15 H new ATOM 0 HA SER A 73 -5.240 -7.529 14.929 1.00 52.44 H new ATOM 0 HB2 SER A 73 -3.333 -9.024 15.261 1.00 74.21 H new ATOM 0 HB3 SER A 73 -4.068 -9.374 13.709 1.00 74.21 H new ATOM 0 HG SER A 73 -2.383 -8.385 12.649 1.00 3.13 H new ATOM 1240 N LEU A 74 -3.006 -5.276 14.367 1.00 51.32 N ATOM 1241 CA LEU A 74 -2.256 -4.167 14.960 1.00 32.41 C ATOM 1242 C LEU A 74 -3.182 -3.219 15.736 1.00 74.12 C ATOM 1243 O LEU A 74 -2.875 -2.822 16.862 1.00 35.21 O ATOM 1244 CB LEU A 74 -1.515 -3.392 13.863 1.00 31.45 C ATOM 1245 CG LEU A 74 -0.497 -4.219 13.056 1.00 40.54 C ATOM 1246 CD1 LEU A 74 0.097 -3.388 11.923 1.00 30.33 C ATOM 1247 CD2 LEU A 74 0.603 -4.760 13.966 1.00 10.14 C ATOM 0 H LEU A 74 -3.097 -5.223 13.352 1.00 51.32 H new ATOM 0 HA LEU A 74 -1.534 -4.584 15.662 1.00 32.41 H new ATOM 0 HB2 LEU A 74 -2.250 -2.975 13.174 1.00 31.45 H new ATOM 0 HB3 LEU A 74 -0.995 -2.551 14.321 1.00 31.45 H new ATOM 0 HG LEU A 74 -1.021 -5.068 12.616 1.00 40.54 H new ATOM 0 HD11 LEU A 74 0.813 -3.992 11.366 1.00 30.33 H new ATOM 0 HD12 LEU A 74 -0.700 -3.062 11.255 1.00 30.33 H new ATOM 0 HD13 LEU A 74 0.602 -2.516 12.338 1.00 30.33 H new ATOM 0 HD21 LEU A 74 1.311 -5.341 13.375 1.00 10.14 H new ATOM 0 HD22 LEU A 74 1.123 -3.929 14.442 1.00 10.14 H new ATOM 0 HD23 LEU A 74 0.161 -5.397 14.732 1.00 10.14 H new ATOM 1259 N GLY A 75 -4.322 -2.875 15.137 1.00 30.10 N ATOM 1260 CA GLY A 75 -5.252 -1.940 15.767 1.00 21.15 C ATOM 1261 C GLY A 75 -4.653 -0.551 15.986 1.00 43.13 C ATOM 1262 O GLY A 75 -4.383 -0.156 17.121 1.00 45.45 O ATOM 0 H GLY A 75 -4.621 -3.225 14.227 1.00 30.10 H new ATOM 0 HA2 GLY A 75 -6.143 -1.850 15.146 1.00 21.15 H new ATOM 0 HA3 GLY A 75 -5.571 -2.346 16.727 1.00 21.15 H new ATOM 1266 N ALA A 76 -4.444 0.190 14.898 1.00 22.33 N ATOM 1267 CA ALA A 76 -3.853 1.534 14.968 1.00 43.02 C ATOM 1268 C ALA A 76 -4.243 2.381 13.746 1.00 55.14 C ATOM 1269 O ALA A 76 -4.996 1.931 12.882 1.00 73.54 O ATOM 1270 CB ALA A 76 -2.332 1.436 15.087 1.00 10.43 C ATOM 0 H ALA A 76 -4.675 -0.116 13.953 1.00 22.33 H new ATOM 0 HA ALA A 76 -4.246 2.030 15.855 1.00 43.02 H new ATOM 0 HB1 ALA A 76 -1.906 2.438 15.138 1.00 10.43 H new ATOM 0 HB2 ALA A 76 -2.073 0.885 15.991 1.00 10.43 H new ATOM 0 HB3 ALA A 76 -1.932 0.915 14.217 1.00 10.43 H new ATOM 1276 N GLN A 77 -3.733 3.610 13.685 1.00 62.40 N ATOM 1277 CA GLN A 77 -4.019 4.523 12.569 1.00 55.24 C ATOM 1278 C GLN A 77 -2.952 4.424 11.469 1.00 42.23 C ATOM 1279 O GLN A 77 -1.824 4.880 11.644 1.00 10.22 O ATOM 1280 CB GLN A 77 -4.103 5.969 13.083 1.00 43.03 C ATOM 1281 CG GLN A 77 -5.275 6.215 14.025 1.00 1.01 C ATOM 1282 CD GLN A 77 -6.626 6.090 13.332 1.00 2.03 C ATOM 1283 OE1 GLN A 77 -6.758 6.376 12.146 1.00 32.04 O ATOM 1284 NE2 GLN A 77 -7.631 5.656 14.062 1.00 4.45 N ATOM 0 H GLN A 77 -3.116 4.002 14.397 1.00 62.40 H new ATOM 0 HA GLN A 77 -4.976 4.230 12.136 1.00 55.24 H new ATOM 0 HB2 GLN A 77 -3.175 6.217 13.599 1.00 43.03 H new ATOM 0 HB3 GLN A 77 -4.184 6.644 12.231 1.00 43.03 H new ATOM 0 HG2 GLN A 77 -5.228 5.504 14.850 1.00 1.01 H new ATOM 0 HG3 GLN A 77 -5.185 7.211 14.458 1.00 1.01 H new ATOM 0 HE21 GLN A 77 -7.486 5.427 15.045 1.00 4.45 H new ATOM 0 HE22 GLN A 77 -8.555 5.548 13.645 1.00 4.45 H new ATOM 1293 N VAL A 78 -3.313 3.819 10.338 1.00 70.43 N ATOM 1294 CA VAL A 78 -2.404 3.710 9.186 1.00 0.34 C ATOM 1295 C VAL A 78 -3.101 4.124 7.877 1.00 55.54 C ATOM 1296 O VAL A 78 -4.315 3.966 7.726 1.00 54.43 O ATOM 1297 CB VAL A 78 -1.840 2.269 9.028 1.00 64.04 C ATOM 1298 CG1 VAL A 78 -0.969 1.884 10.224 1.00 14.10 C ATOM 1299 CG2 VAL A 78 -2.966 1.256 8.837 1.00 23.33 C ATOM 0 H VAL A 78 -4.229 3.395 10.190 1.00 70.43 H new ATOM 0 HA VAL A 78 -1.577 4.392 9.383 1.00 0.34 H new ATOM 0 HB VAL A 78 -1.216 2.256 8.135 1.00 64.04 H new ATOM 0 HG11 VAL A 78 -0.589 0.872 10.086 1.00 14.10 H new ATOM 0 HG12 VAL A 78 -0.133 2.578 10.304 1.00 14.10 H new ATOM 0 HG13 VAL A 78 -1.564 1.927 11.136 1.00 14.10 H new ATOM 0 HG21 VAL A 78 -2.543 0.257 8.729 1.00 23.33 H new ATOM 0 HG22 VAL A 78 -3.627 1.278 9.704 1.00 23.33 H new ATOM 0 HG23 VAL A 78 -3.534 1.508 7.941 1.00 23.33 H new ATOM 1309 N LEU A 79 -2.323 4.659 6.937 1.00 54.32 N ATOM 1310 CA LEU A 79 -2.850 5.067 5.629 1.00 23.51 C ATOM 1311 C LEU A 79 -2.483 4.035 4.550 1.00 61.41 C ATOM 1312 O LEU A 79 -1.369 3.518 4.538 1.00 64.24 O ATOM 1313 CB LEU A 79 -2.296 6.450 5.252 1.00 3.10 C ATOM 1314 CG LEU A 79 -2.750 7.000 3.886 1.00 72.02 C ATOM 1315 CD1 LEU A 79 -4.271 7.138 3.823 1.00 4.33 C ATOM 1316 CD2 LEU A 79 -2.072 8.338 3.600 1.00 73.55 C ATOM 0 H LEU A 79 -1.323 4.822 7.054 1.00 54.32 H new ATOM 0 HA LEU A 79 -3.937 5.123 5.693 1.00 23.51 H new ATOM 0 HB2 LEU A 79 -2.588 7.161 6.025 1.00 3.10 H new ATOM 0 HB3 LEU A 79 -1.207 6.400 5.259 1.00 3.10 H new ATOM 0 HG LEU A 79 -2.450 6.288 3.117 1.00 72.02 H new ATOM 0 HD11 LEU A 79 -4.561 7.528 2.847 1.00 4.33 H new ATOM 0 HD12 LEU A 79 -4.732 6.162 3.975 1.00 4.33 H new ATOM 0 HD13 LEU A 79 -4.607 7.823 4.602 1.00 4.33 H new ATOM 0 HD21 LEU A 79 -2.403 8.714 2.632 1.00 73.55 H new ATOM 0 HD22 LEU A 79 -2.338 9.054 4.377 1.00 73.55 H new ATOM 0 HD23 LEU A 79 -0.991 8.202 3.586 1.00 73.55 H new ATOM 1328 N ILE A 80 -3.424 3.732 3.656 1.00 13.03 N ATOM 1329 CA ILE A 80 -3.206 2.727 2.605 1.00 40.32 C ATOM 1330 C ILE A 80 -3.503 3.295 1.206 1.00 4.43 C ATOM 1331 O ILE A 80 -4.512 3.963 0.999 1.00 15.33 O ATOM 1332 CB ILE A 80 -4.094 1.474 2.842 1.00 45.11 C ATOM 1333 CG1 ILE A 80 -3.807 0.870 4.228 1.00 21.42 C ATOM 1334 CG2 ILE A 80 -3.870 0.433 1.743 1.00 2.33 C ATOM 1335 CD1 ILE A 80 -4.694 -0.307 4.586 1.00 52.24 C ATOM 0 H ILE A 80 -4.347 4.166 3.635 1.00 13.03 H new ATOM 0 HA ILE A 80 -2.155 2.443 2.653 1.00 40.32 H new ATOM 0 HB ILE A 80 -5.139 1.782 2.807 1.00 45.11 H new ATOM 0 HG12 ILE A 80 -2.765 0.551 4.265 1.00 21.42 H new ATOM 0 HG13 ILE A 80 -3.929 1.646 4.983 1.00 21.42 H new ATOM 0 HG21 ILE A 80 -4.502 -0.435 1.930 1.00 2.33 H new ATOM 0 HG22 ILE A 80 -4.124 0.865 0.775 1.00 2.33 H new ATOM 0 HG23 ILE A 80 -2.824 0.126 1.740 1.00 2.33 H new ATOM 0 HD11 ILE A 80 -4.428 -0.675 5.577 1.00 52.24 H new ATOM 0 HD12 ILE A 80 -5.737 0.010 4.584 1.00 52.24 H new ATOM 0 HD13 ILE A 80 -4.555 -1.103 3.854 1.00 52.24 H new ATOM 1347 N ILE A 81 -2.612 3.034 0.252 1.00 42.42 N ATOM 1348 CA ILE A 81 -2.828 3.424 -1.149 1.00 70.42 C ATOM 1349 C ILE A 81 -2.876 2.181 -2.050 1.00 32.23 C ATOM 1350 O ILE A 81 -1.943 1.382 -2.063 1.00 2.11 O ATOM 1351 CB ILE A 81 -1.714 4.376 -1.660 1.00 20.00 C ATOM 1352 CG1 ILE A 81 -1.666 5.653 -0.805 1.00 62.20 C ATOM 1353 CG2 ILE A 81 -1.931 4.720 -3.136 1.00 70.44 C ATOM 1354 CD1 ILE A 81 -0.622 6.659 -1.255 1.00 24.44 C ATOM 0 H ILE A 81 -1.729 2.552 0.420 1.00 42.42 H new ATOM 0 HA ILE A 81 -3.781 3.951 -1.191 1.00 70.42 H new ATOM 0 HB ILE A 81 -0.756 3.865 -1.569 1.00 20.00 H new ATOM 0 HG12 ILE A 81 -2.647 6.129 -0.826 1.00 62.20 H new ATOM 0 HG13 ILE A 81 -1.467 5.377 0.231 1.00 62.20 H new ATOM 0 HG21 ILE A 81 -1.139 5.388 -3.474 1.00 70.44 H new ATOM 0 HG22 ILE A 81 -1.912 3.806 -3.729 1.00 70.44 H new ATOM 0 HG23 ILE A 81 -2.897 5.211 -3.257 1.00 70.44 H new ATOM 0 HD11 ILE A 81 -0.652 7.531 -0.602 1.00 24.44 H new ATOM 0 HD12 ILE A 81 0.367 6.203 -1.207 1.00 24.44 H new ATOM 0 HD13 ILE A 81 -0.831 6.966 -2.280 1.00 24.44 H new ATOM 1366 N ILE A 82 -3.965 2.015 -2.799 1.00 1.34 N ATOM 1367 CA ILE A 82 -4.147 0.834 -3.654 1.00 24.54 C ATOM 1368 C ILE A 82 -4.112 1.208 -5.150 1.00 12.13 C ATOM 1369 O ILE A 82 -4.728 2.190 -5.570 1.00 10.42 O ATOM 1370 CB ILE A 82 -5.485 0.121 -3.338 1.00 74.41 C ATOM 1371 CG1 ILE A 82 -5.589 -0.189 -1.833 1.00 0.42 C ATOM 1372 CG2 ILE A 82 -5.612 -1.165 -4.155 1.00 75.40 C ATOM 1373 CD1 ILE A 82 -6.885 -0.871 -1.432 1.00 24.22 C ATOM 0 H ILE A 82 -4.737 2.681 -2.834 1.00 1.34 H new ATOM 0 HA ILE A 82 -3.319 0.158 -3.442 1.00 24.54 H new ATOM 0 HB ILE A 82 -6.302 0.788 -3.612 1.00 74.41 H new ATOM 0 HG12 ILE A 82 -4.752 -0.824 -1.544 1.00 0.42 H new ATOM 0 HG13 ILE A 82 -5.491 0.741 -1.273 1.00 0.42 H new ATOM 0 HG21 ILE A 82 -6.558 -1.653 -3.920 1.00 75.40 H new ATOM 0 HG22 ILE A 82 -5.581 -0.925 -5.218 1.00 75.40 H new ATOM 0 HG23 ILE A 82 -4.788 -1.835 -3.910 1.00 75.40 H new ATOM 0 HD11 ILE A 82 -6.882 -1.056 -0.358 1.00 24.22 H new ATOM 0 HD12 ILE A 82 -7.728 -0.229 -1.687 1.00 24.22 H new ATOM 0 HD13 ILE A 82 -6.977 -1.819 -1.963 1.00 24.22 H new ATOM 1385 N TYR A 83 -3.402 0.410 -5.946 1.00 51.03 N ATOM 1386 CA TYR A 83 -3.275 0.654 -7.391 1.00 2.32 C ATOM 1387 C TYR A 83 -3.836 -0.505 -8.235 1.00 73.02 C ATOM 1388 O TYR A 83 -3.447 -1.665 -8.059 1.00 51.23 O ATOM 1389 CB TYR A 83 -1.801 0.890 -7.767 1.00 1.30 C ATOM 1390 CG TYR A 83 -1.524 0.768 -9.261 1.00 14.51 C ATOM 1391 CD1 TYR A 83 -1.884 1.779 -10.149 1.00 43.13 C ATOM 1392 CD2 TYR A 83 -0.921 -0.377 -9.783 1.00 20.02 C ATOM 1393 CE1 TYR A 83 -1.649 1.653 -11.507 1.00 24.44 C ATOM 1394 CE2 TYR A 83 -0.689 -0.508 -11.137 1.00 41.43 C ATOM 1395 CZ TYR A 83 -1.054 0.507 -11.994 1.00 62.34 C ATOM 1396 OH TYR A 83 -0.830 0.365 -13.345 1.00 53.12 O ATOM 0 H TYR A 83 -2.902 -0.416 -5.617 1.00 51.03 H new ATOM 0 HA TYR A 83 -3.864 1.544 -7.612 1.00 2.32 H new ATOM 0 HB2 TYR A 83 -1.504 1.883 -7.431 1.00 1.30 H new ATOM 0 HB3 TYR A 83 -1.179 0.173 -7.231 1.00 1.30 H new ATOM 0 HD1 TYR A 83 -2.354 2.675 -9.772 1.00 43.13 H new ATOM 0 HD2 TYR A 83 -0.631 -1.175 -9.115 1.00 20.02 H new ATOM 0 HE1 TYR A 83 -1.930 2.448 -12.182 1.00 24.44 H new ATOM 0 HE2 TYR A 83 -0.223 -1.403 -11.523 1.00 41.43 H new ATOM 0 HH TYR A 83 -0.403 -0.500 -13.517 1.00 53.12 H new ATOM 1406 N ASP A 84 -4.733 -0.165 -9.163 1.00 0.14 N ATOM 1407 CA ASP A 84 -5.242 -1.108 -10.169 1.00 53.32 C ATOM 1408 C ASP A 84 -6.016 -0.348 -11.264 1.00 10.21 C ATOM 1409 O ASP A 84 -6.454 0.788 -11.057 1.00 33.42 O ATOM 1410 CB ASP A 84 -6.130 -2.190 -9.526 1.00 53.45 C ATOM 1411 CG ASP A 84 -6.490 -3.298 -10.509 1.00 32.23 C ATOM 1412 OD1 ASP A 84 -7.460 -3.135 -11.267 1.00 13.31 O ATOM 1413 OD2 ASP A 84 -5.785 -4.329 -10.551 1.00 4.23 O ATOM 0 H ASP A 84 -5.129 0.772 -9.241 1.00 0.14 H new ATOM 0 HA ASP A 84 -4.389 -1.611 -10.625 1.00 53.32 H new ATOM 0 HB2 ASP A 84 -5.612 -2.621 -8.669 1.00 53.45 H new ATOM 0 HB3 ASP A 84 -7.043 -1.731 -9.148 1.00 53.45 H new ATOM 1418 N GLN A 85 -6.179 -0.971 -12.429 1.00 61.34 N ATOM 1419 CA GLN A 85 -6.809 -0.317 -13.582 1.00 24.32 C ATOM 1420 C GLN A 85 -8.345 -0.419 -13.545 1.00 4.13 C ATOM 1421 O GLN A 85 -9.048 0.545 -13.861 1.00 63.41 O ATOM 1422 CB GLN A 85 -6.263 -0.922 -14.882 1.00 53.12 C ATOM 1423 CG GLN A 85 -4.777 -0.646 -15.114 1.00 12.34 C ATOM 1424 CD GLN A 85 -4.477 0.837 -15.309 1.00 32.43 C ATOM 1425 OE1 GLN A 85 -5.298 1.587 -15.831 1.00 13.53 O ATOM 1426 NE2 GLN A 85 -3.298 1.271 -14.908 1.00 21.02 N ATOM 0 H GLN A 85 -5.883 -1.932 -12.603 1.00 61.34 H new ATOM 0 HA GLN A 85 -6.560 0.743 -13.538 1.00 24.32 H new ATOM 0 HB2 GLN A 85 -6.425 -2.000 -14.866 1.00 53.12 H new ATOM 0 HB3 GLN A 85 -6.832 -0.526 -15.723 1.00 53.12 H new ATOM 0 HG2 GLN A 85 -4.205 -1.019 -14.264 1.00 12.34 H new ATOM 0 HG3 GLN A 85 -4.442 -1.199 -15.992 1.00 12.34 H new ATOM 0 HE21 GLN A 85 -2.636 0.625 -14.478 1.00 21.02 H new ATOM 0 HE22 GLN A 85 -3.048 2.253 -15.028 1.00 21.02 H new ATOM 1435 N ASP A 86 -8.866 -1.579 -13.149 1.00 73.40 N ATOM 1436 CA ASP A 86 -10.315 -1.806 -13.114 1.00 60.24 C ATOM 1437 C ASP A 86 -10.935 -1.318 -11.792 1.00 22.02 C ATOM 1438 O ASP A 86 -10.527 -1.731 -10.707 1.00 0.24 O ATOM 1439 CB ASP A 86 -10.629 -3.289 -13.326 1.00 64.40 C ATOM 1440 CG ASP A 86 -12.114 -3.575 -13.227 1.00 15.43 C ATOM 1441 OD1 ASP A 86 -12.865 -3.147 -14.130 1.00 12.32 O ATOM 1442 OD2 ASP A 86 -12.543 -4.202 -12.236 1.00 14.43 O ATOM 0 H ASP A 86 -8.309 -2.378 -12.847 1.00 73.40 H new ATOM 0 HA ASP A 86 -10.757 -1.227 -13.925 1.00 60.24 H new ATOM 0 HB2 ASP A 86 -10.264 -3.600 -14.305 1.00 64.40 H new ATOM 0 HB3 ASP A 86 -10.095 -3.882 -12.584 1.00 64.40 H new ATOM 1447 N GLN A 87 -11.947 -0.463 -11.896 1.00 11.01 N ATOM 1448 CA GLN A 87 -12.564 0.158 -10.721 1.00 20.23 C ATOM 1449 C GLN A 87 -13.500 -0.803 -9.965 1.00 30.41 C ATOM 1450 O GLN A 87 -13.665 -0.682 -8.750 1.00 51.00 O ATOM 1451 CB GLN A 87 -13.321 1.423 -11.141 1.00 2.11 C ATOM 1452 CG GLN A 87 -12.451 2.449 -11.861 1.00 72.35 C ATOM 1453 CD GLN A 87 -11.201 2.815 -11.078 1.00 51.02 C ATOM 1454 OE1 GLN A 87 -10.120 2.097 -11.316 1.00 14.01 O flip ATOM 1455 NE2 GLN A 87 -11.204 3.737 -10.270 1.00 24.44 N flip ATOM 0 H GLN A 87 -12.361 -0.181 -12.784 1.00 11.01 H new ATOM 0 HA GLN A 87 -11.762 0.420 -10.031 1.00 20.23 H new ATOM 0 HB2 GLN A 87 -14.149 1.141 -11.792 1.00 2.11 H new ATOM 0 HB3 GLN A 87 -13.756 1.886 -10.255 1.00 2.11 H new ATOM 0 HG2 GLN A 87 -12.161 2.054 -12.835 1.00 72.35 H new ATOM 0 HG3 GLN A 87 -13.036 3.350 -12.044 1.00 72.35 H new ATOM 0 HE21 GLN A 87 -12.057 4.272 -10.110 1.00 24.44 H new ATOM 0 HE22 GLN A 87 -10.353 3.969 -9.758 1.00 24.44 H new ATOM 1464 N ASN A 88 -14.102 -1.759 -10.672 1.00 35.41 N ATOM 1465 CA ASN A 88 -14.980 -2.751 -10.030 1.00 52.51 C ATOM 1466 C ASN A 88 -14.225 -3.567 -8.967 1.00 50.15 C ATOM 1467 O ASN A 88 -14.768 -3.873 -7.906 1.00 32.32 O ATOM 1468 CB ASN A 88 -15.597 -3.691 -11.070 1.00 1.31 C ATOM 1469 CG ASN A 88 -16.631 -2.997 -11.935 1.00 51.23 C ATOM 1470 OD1 ASN A 88 -16.327 -2.471 -13.000 1.00 40.44 O ATOM 1471 ND2 ASN A 88 -17.865 -2.980 -11.481 1.00 42.42 N ATOM 0 H ASN A 88 -14.003 -1.872 -11.681 1.00 35.41 H new ATOM 0 HA ASN A 88 -15.780 -2.201 -9.534 1.00 52.51 H new ATOM 0 HB2 ASN A 88 -14.808 -4.094 -11.705 1.00 1.31 H new ATOM 0 HB3 ASN A 88 -16.061 -4.536 -10.562 1.00 1.31 H new ATOM 0 HD21 ASN A 88 -18.600 -2.520 -12.019 1.00 42.42 H new ATOM 0 HD22 ASN A 88 -18.087 -3.426 -10.591 1.00 42.42 H new ATOM 1478 N ARG A 89 -12.979 -3.928 -9.263 1.00 74.10 N ATOM 1479 CA ARG A 89 -12.119 -4.613 -8.289 1.00 14.03 C ATOM 1480 C ARG A 89 -11.453 -3.609 -7.331 1.00 1.25 C ATOM 1481 O ARG A 89 -11.425 -3.818 -6.114 1.00 11.51 O ATOM 1482 CB ARG A 89 -11.048 -5.436 -9.018 1.00 12.44 C ATOM 1483 CG ARG A 89 -11.610 -6.614 -9.812 1.00 2.21 C ATOM 1484 CD ARG A 89 -10.518 -7.365 -10.573 1.00 11.31 C ATOM 1485 NE ARG A 89 -9.948 -6.559 -11.656 1.00 75.52 N ATOM 1486 CZ ARG A 89 -8.767 -6.000 -11.622 1.00 62.12 C ATOM 1487 NH1 ARG A 89 -8.007 -6.118 -10.580 1.00 31.14 N ATOM 1488 NH2 ARG A 89 -8.347 -5.319 -12.634 1.00 33.11 N ATOM 0 H ARG A 89 -12.538 -3.760 -10.167 1.00 74.10 H new ATOM 0 HA ARG A 89 -12.744 -5.281 -7.697 1.00 14.03 H new ATOM 0 HB2 ARG A 89 -10.499 -4.782 -9.696 1.00 12.44 H new ATOM 0 HB3 ARG A 89 -10.332 -5.811 -8.287 1.00 12.44 H new ATOM 0 HG2 ARG A 89 -12.116 -7.300 -9.133 1.00 2.21 H new ATOM 0 HG3 ARG A 89 -12.359 -6.252 -10.516 1.00 2.21 H new ATOM 0 HD2 ARG A 89 -9.727 -7.653 -9.881 1.00 11.31 H new ATOM 0 HD3 ARG A 89 -10.931 -8.285 -10.985 1.00 11.31 H new ATOM 0 HE ARG A 89 -10.512 -6.425 -12.495 1.00 75.52 H new ATOM 0 HH11 ARG A 89 -8.328 -6.652 -9.773 1.00 31.14 H new ATOM 0 HH12 ARG A 89 -7.088 -5.677 -10.567 1.00 31.14 H new ATOM 0 HH21 ARG A 89 -8.936 -5.217 -13.460 1.00 33.11 H new ATOM 0 HH22 ARG A 89 -7.425 -4.883 -12.608 1.00 33.11 H new ATOM 1502 N LEU A 90 -10.934 -2.517 -7.893 1.00 21.42 N ATOM 1503 CA LEU A 90 -10.199 -1.496 -7.126 1.00 3.24 C ATOM 1504 C LEU A 90 -11.068 -0.825 -6.045 1.00 64.52 C ATOM 1505 O LEU A 90 -10.770 -0.916 -4.849 1.00 43.44 O ATOM 1506 CB LEU A 90 -9.649 -0.428 -8.089 1.00 63.10 C ATOM 1507 CG LEU A 90 -8.801 0.684 -7.447 1.00 32.53 C ATOM 1508 CD1 LEU A 90 -7.546 0.102 -6.803 1.00 62.25 C ATOM 1509 CD2 LEU A 90 -8.434 1.748 -8.482 1.00 32.03 C ATOM 0 H LEU A 90 -11.008 -2.310 -8.889 1.00 21.42 H new ATOM 0 HA LEU A 90 -9.382 -2.001 -6.611 1.00 3.24 H new ATOM 0 HB2 LEU A 90 -9.045 -0.927 -8.847 1.00 63.10 H new ATOM 0 HB3 LEU A 90 -10.490 0.035 -8.605 1.00 63.10 H new ATOM 0 HG LEU A 90 -9.395 1.158 -6.666 1.00 32.53 H new ATOM 0 HD11 LEU A 90 -6.961 0.905 -6.355 1.00 62.25 H new ATOM 0 HD12 LEU A 90 -7.831 -0.613 -6.031 1.00 62.25 H new ATOM 0 HD13 LEU A 90 -6.948 -0.403 -7.562 1.00 62.25 H new ATOM 0 HD21 LEU A 90 -7.835 2.525 -8.008 1.00 32.03 H new ATOM 0 HD22 LEU A 90 -7.862 1.289 -9.288 1.00 32.03 H new ATOM 0 HD23 LEU A 90 -9.344 2.189 -8.889 1.00 32.03 H new ATOM 1521 N GLU A 91 -12.141 -0.158 -6.469 1.00 70.30 N ATOM 1522 CA GLU A 91 -12.975 0.625 -5.547 1.00 15.43 C ATOM 1523 C GLU A 91 -13.734 -0.262 -4.549 1.00 42.52 C ATOM 1524 O GLU A 91 -13.775 0.043 -3.357 1.00 64.23 O ATOM 1525 CB GLU A 91 -13.964 1.501 -6.324 1.00 71.30 C ATOM 1526 CG GLU A 91 -13.289 2.501 -7.259 1.00 61.51 C ATOM 1527 CD GLU A 91 -14.269 3.492 -7.871 1.00 41.55 C ATOM 1528 OE1 GLU A 91 -14.980 3.126 -8.832 1.00 2.03 O ATOM 1529 OE2 GLU A 91 -14.345 4.640 -7.385 1.00 63.20 O ATOM 0 H GLU A 91 -12.455 -0.142 -7.439 1.00 70.30 H new ATOM 0 HA GLU A 91 -12.300 1.261 -4.975 1.00 15.43 H new ATOM 0 HB2 GLU A 91 -14.625 0.859 -6.907 1.00 71.30 H new ATOM 0 HB3 GLU A 91 -14.590 2.044 -5.616 1.00 71.30 H new ATOM 0 HG2 GLU A 91 -12.524 3.047 -6.708 1.00 61.51 H new ATOM 0 HG3 GLU A 91 -12.781 1.959 -8.057 1.00 61.51 H new ATOM 1536 N GLU A 92 -14.331 -1.353 -5.035 1.00 44.12 N ATOM 1537 CA GLU A 92 -15.067 -2.296 -4.170 1.00 40.54 C ATOM 1538 C GLU A 92 -14.236 -2.707 -2.944 1.00 70.50 C ATOM 1539 O GLU A 92 -14.692 -2.600 -1.802 1.00 22.45 O ATOM 1540 CB GLU A 92 -15.469 -3.544 -4.968 1.00 44.45 C ATOM 1541 CG GLU A 92 -16.149 -4.630 -4.135 1.00 55.10 C ATOM 1542 CD GLU A 92 -16.536 -5.845 -4.967 1.00 14.52 C ATOM 1543 OE1 GLU A 92 -15.652 -6.674 -5.267 1.00 3.34 O ATOM 1544 OE2 GLU A 92 -17.727 -5.971 -5.331 1.00 42.13 O ATOM 0 H GLU A 92 -14.323 -1.611 -6.022 1.00 44.12 H new ATOM 0 HA GLU A 92 -15.963 -1.787 -3.815 1.00 40.54 H new ATOM 0 HB2 GLU A 92 -16.141 -3.246 -5.773 1.00 44.45 H new ATOM 0 HB3 GLU A 92 -14.579 -3.965 -5.435 1.00 44.45 H new ATOM 0 HG2 GLU A 92 -15.480 -4.941 -3.333 1.00 55.10 H new ATOM 0 HG3 GLU A 92 -17.041 -4.217 -3.664 1.00 55.10 H new ATOM 1551 N PHE A 93 -13.013 -3.167 -3.195 1.00 44.01 N ATOM 1552 CA PHE A 93 -12.079 -3.527 -2.124 1.00 30.43 C ATOM 1553 C PHE A 93 -11.815 -2.315 -1.212 1.00 62.43 C ATOM 1554 O PHE A 93 -11.930 -2.398 0.012 1.00 44.45 O ATOM 1555 CB PHE A 93 -10.765 -4.030 -2.746 1.00 2.10 C ATOM 1556 CG PHE A 93 -9.794 -4.627 -1.757 1.00 32.25 C ATOM 1557 CD1 PHE A 93 -8.870 -3.831 -1.096 1.00 43.01 C ATOM 1558 CD2 PHE A 93 -9.804 -5.990 -1.496 1.00 32.20 C ATOM 1559 CE1 PHE A 93 -7.980 -4.380 -0.193 1.00 35.12 C ATOM 1560 CE2 PHE A 93 -8.915 -6.543 -0.595 1.00 25.43 C ATOM 1561 CZ PHE A 93 -8.003 -5.738 0.057 1.00 11.14 C ATOM 0 H PHE A 93 -12.641 -3.301 -4.135 1.00 44.01 H new ATOM 0 HA PHE A 93 -12.515 -4.319 -1.515 1.00 30.43 H new ATOM 0 HB2 PHE A 93 -10.999 -4.778 -3.503 1.00 2.10 H new ATOM 0 HB3 PHE A 93 -10.279 -3.200 -3.258 1.00 2.10 H new ATOM 0 HD1 PHE A 93 -8.846 -2.769 -1.290 1.00 43.01 H new ATOM 0 HD2 PHE A 93 -10.515 -6.625 -2.003 1.00 32.20 H new ATOM 0 HE1 PHE A 93 -7.268 -3.748 0.316 1.00 35.12 H new ATOM 0 HE2 PHE A 93 -8.934 -7.605 -0.401 1.00 25.43 H new ATOM 0 HZ PHE A 93 -7.308 -6.170 0.762 1.00 11.14 H new ATOM 1571 N SER A 94 -11.489 -1.183 -1.838 1.00 3.41 N ATOM 1572 CA SER A 94 -11.205 0.078 -1.129 1.00 33.41 C ATOM 1573 C SER A 94 -12.315 0.474 -0.140 1.00 71.23 C ATOM 1574 O SER A 94 -12.034 0.909 0.979 1.00 62.42 O ATOM 1575 CB SER A 94 -11.012 1.209 -2.149 1.00 45.23 C ATOM 1576 OG SER A 94 -10.971 2.488 -1.528 1.00 70.21 O ATOM 0 H SER A 94 -11.413 -1.109 -2.852 1.00 3.41 H new ATOM 0 HA SER A 94 -10.296 -0.082 -0.549 1.00 33.41 H new ATOM 0 HB2 SER A 94 -10.087 1.045 -2.701 1.00 45.23 H new ATOM 0 HB3 SER A 94 -11.825 1.185 -2.875 1.00 45.23 H new ATOM 0 HG SER A 94 -11.118 3.184 -2.202 1.00 70.21 H new ATOM 1582 N ARG A 95 -13.572 0.320 -0.550 1.00 35.05 N ATOM 1583 CA ARG A 95 -14.705 0.776 0.264 1.00 65.25 C ATOM 1584 C ARG A 95 -14.786 0.038 1.609 1.00 43.25 C ATOM 1585 O ARG A 95 -14.951 0.666 2.659 1.00 30.11 O ATOM 1586 CB ARG A 95 -16.024 0.634 -0.511 1.00 41.24 C ATOM 1587 CG ARG A 95 -16.073 1.422 -1.827 1.00 5.11 C ATOM 1588 CD ARG A 95 -15.767 2.914 -1.639 1.00 0.14 C ATOM 1589 NE ARG A 95 -14.358 3.162 -1.322 1.00 24.33 N ATOM 1590 CZ ARG A 95 -13.923 4.217 -0.687 1.00 34.11 C ATOM 1591 NH1 ARG A 95 -14.733 5.154 -0.325 1.00 71.13 N ATOM 1592 NH2 ARG A 95 -12.665 4.337 -0.414 1.00 64.13 N ATOM 0 H ARG A 95 -13.835 -0.114 -1.435 1.00 35.05 H new ATOM 0 HA ARG A 95 -14.539 1.831 0.483 1.00 65.25 H new ATOM 0 HB2 ARG A 95 -16.193 -0.421 -0.727 1.00 41.24 H new ATOM 0 HB3 ARG A 95 -16.844 0.964 0.127 1.00 41.24 H new ATOM 0 HG2 ARG A 95 -15.356 0.994 -2.528 1.00 5.11 H new ATOM 0 HG3 ARG A 95 -17.061 1.312 -2.274 1.00 5.11 H new ATOM 0 HD2 ARG A 95 -16.032 3.453 -2.548 1.00 0.14 H new ATOM 0 HD3 ARG A 95 -16.392 3.312 -0.839 1.00 0.14 H new ATOM 0 HE ARG A 95 -13.673 2.466 -1.616 1.00 24.33 H new ATOM 0 HH11 ARG A 95 -15.728 5.077 -0.534 1.00 71.13 H new ATOM 0 HH12 ARG A 95 -14.378 5.972 0.170 1.00 71.13 H new ATOM 0 HH21 ARG A 95 -12.010 3.607 -0.695 1.00 64.13 H new ATOM 0 HH22 ARG A 95 -12.327 5.162 0.082 1.00 64.13 H new ATOM 1606 N GLU A 96 -14.651 -1.287 1.593 1.00 62.11 N ATOM 1607 CA GLU A 96 -14.715 -2.050 2.828 1.00 33.55 C ATOM 1608 C GLU A 96 -13.480 -1.791 3.706 1.00 74.12 C ATOM 1609 O GLU A 96 -13.557 -1.884 4.930 1.00 3.41 O ATOM 1610 CB GLU A 96 -14.875 -3.547 2.551 1.00 72.52 C ATOM 1611 CG GLU A 96 -15.274 -4.311 3.800 1.00 51.43 C ATOM 1612 CD GLU A 96 -15.491 -5.796 3.571 1.00 60.33 C ATOM 1613 OE1 GLU A 96 -16.373 -6.156 2.766 1.00 74.11 O ATOM 1614 OE2 GLU A 96 -14.802 -6.610 4.219 1.00 62.11 O ATOM 0 H GLU A 96 -14.499 -1.843 0.751 1.00 62.11 H new ATOM 0 HA GLU A 96 -15.596 -1.713 3.373 1.00 33.55 H new ATOM 0 HB2 GLU A 96 -15.629 -3.695 1.778 1.00 72.52 H new ATOM 0 HB3 GLU A 96 -13.938 -3.947 2.164 1.00 72.52 H new ATOM 0 HG2 GLU A 96 -14.501 -4.179 4.557 1.00 51.43 H new ATOM 0 HG3 GLU A 96 -16.190 -3.878 4.202 1.00 51.43 H new ATOM 1621 N VAL A 97 -12.345 -1.451 3.088 1.00 43.41 N ATOM 1622 CA VAL A 97 -11.148 -1.064 3.848 1.00 63.22 C ATOM 1623 C VAL A 97 -11.459 0.122 4.781 1.00 53.15 C ATOM 1624 O VAL A 97 -11.059 0.132 5.949 1.00 2.41 O ATOM 1625 CB VAL A 97 -9.959 -0.702 2.917 1.00 13.41 C ATOM 1626 CG1 VAL A 97 -8.747 -0.244 3.728 1.00 72.44 C ATOM 1627 CG2 VAL A 97 -9.591 -1.889 2.026 1.00 13.13 C ATOM 0 H VAL A 97 -12.228 -1.435 2.075 1.00 43.41 H new ATOM 0 HA VAL A 97 -10.855 -1.928 4.445 1.00 63.22 H new ATOM 0 HB VAL A 97 -10.271 0.125 2.279 1.00 13.41 H new ATOM 0 HG11 VAL A 97 -7.929 0.003 3.051 1.00 72.44 H new ATOM 0 HG12 VAL A 97 -9.012 0.636 4.313 1.00 72.44 H new ATOM 0 HG13 VAL A 97 -8.434 -1.045 4.398 1.00 72.44 H new ATOM 0 HG21 VAL A 97 -8.756 -1.615 1.381 1.00 13.13 H new ATOM 0 HG22 VAL A 97 -9.306 -2.737 2.649 1.00 13.13 H new ATOM 0 HG23 VAL A 97 -10.449 -2.163 1.412 1.00 13.13 H new ATOM 1637 N ARG A 98 -12.194 1.107 4.261 1.00 41.54 N ATOM 1638 CA ARG A 98 -12.696 2.214 5.088 1.00 70.12 C ATOM 1639 C ARG A 98 -13.617 1.686 6.194 1.00 62.53 C ATOM 1640 O ARG A 98 -13.519 2.087 7.356 1.00 22.03 O ATOM 1641 CB ARG A 98 -13.465 3.231 4.230 1.00 4.13 C ATOM 1642 CG ARG A 98 -12.609 3.977 3.213 1.00 3.45 C ATOM 1643 CD ARG A 98 -11.501 4.791 3.879 1.00 2.21 C ATOM 1644 NE ARG A 98 -12.012 5.714 4.890 1.00 22.34 N ATOM 1645 CZ ARG A 98 -11.867 7.010 4.839 1.00 23.33 C ATOM 1646 NH1 ARG A 98 -11.355 7.582 3.792 1.00 63.51 N ATOM 1647 NH2 ARG A 98 -12.268 7.742 5.824 1.00 3.12 N ATOM 0 H ARG A 98 -12.456 1.164 3.277 1.00 41.54 H new ATOM 0 HA ARG A 98 -11.836 2.707 5.540 1.00 70.12 H new ATOM 0 HB2 ARG A 98 -14.264 2.711 3.701 1.00 4.13 H new ATOM 0 HB3 ARG A 98 -13.940 3.958 4.889 1.00 4.13 H new ATOM 0 HG2 ARG A 98 -12.166 3.262 2.519 1.00 3.45 H new ATOM 0 HG3 ARG A 98 -13.242 4.641 2.625 1.00 3.45 H new ATOM 0 HD2 ARG A 98 -10.784 4.112 4.341 1.00 2.21 H new ATOM 0 HD3 ARG A 98 -10.961 5.354 3.118 1.00 2.21 H new ATOM 0 HE ARG A 98 -12.514 5.320 5.686 1.00 22.34 H new ATOM 0 HH11 ARG A 98 -11.060 7.017 2.995 1.00 63.51 H new ATOM 0 HH12 ARG A 98 -11.248 8.596 3.766 1.00 63.51 H new ATOM 0 HH21 ARG A 98 -12.697 7.307 6.641 1.00 3.12 H new ATOM 0 HH22 ARG A 98 -12.155 8.755 5.786 1.00 3.12 H new ATOM 1661 N ARG A 99 -14.511 0.777 5.814 1.00 2.14 N ATOM 1662 CA ARG A 99 -15.449 0.150 6.752 1.00 10.33 C ATOM 1663 C ARG A 99 -14.712 -0.612 7.873 1.00 52.33 C ATOM 1664 O ARG A 99 -15.225 -0.753 8.982 1.00 35.41 O ATOM 1665 CB ARG A 99 -16.382 -0.792 5.975 1.00 72.42 C ATOM 1666 CG ARG A 99 -17.480 -1.439 6.813 1.00 24.45 C ATOM 1667 CD ARG A 99 -18.434 -2.251 5.941 1.00 24.44 C ATOM 1668 NE ARG A 99 -19.050 -1.428 4.897 1.00 3.34 N ATOM 1669 CZ ARG A 99 -19.539 -1.893 3.775 1.00 3.33 C ATOM 1670 NH1 ARG A 99 -19.557 -3.166 3.531 1.00 14.11 N ATOM 1671 NH2 ARG A 99 -20.032 -1.078 2.900 1.00 71.52 N ATOM 0 H ARG A 99 -14.609 0.453 4.852 1.00 2.14 H new ATOM 0 HA ARG A 99 -16.036 0.932 7.234 1.00 10.33 H new ATOM 0 HB2 ARG A 99 -16.846 -0.232 5.163 1.00 72.42 H new ATOM 0 HB3 ARG A 99 -15.782 -1.579 5.518 1.00 72.42 H new ATOM 0 HG2 ARG A 99 -17.032 -2.086 7.567 1.00 24.45 H new ATOM 0 HG3 ARG A 99 -18.037 -0.668 7.345 1.00 24.45 H new ATOM 0 HD2 ARG A 99 -17.892 -3.077 5.480 1.00 24.44 H new ATOM 0 HD3 ARG A 99 -19.213 -2.690 6.565 1.00 24.44 H new ATOM 0 HE ARG A 99 -19.102 -0.422 5.055 1.00 3.34 H new ATOM 0 HH11 ARG A 99 -19.187 -3.822 4.218 1.00 14.11 H new ATOM 0 HH12 ARG A 99 -19.942 -3.511 2.652 1.00 14.11 H new ATOM 0 HH21 ARG A 99 -20.039 -0.075 3.085 1.00 71.52 H new ATOM 0 HH22 ARG A 99 -20.413 -1.438 2.025 1.00 71.52 H new ATOM 1685 N ARG A 100 -13.499 -1.079 7.577 1.00 50.35 N ATOM 1686 CA ARG A 100 -12.672 -1.801 8.559 1.00 13.03 C ATOM 1687 C ARG A 100 -11.893 -0.839 9.479 1.00 73.22 C ATOM 1688 O ARG A 100 -11.101 -1.275 10.315 1.00 51.44 O ATOM 1689 CB ARG A 100 -11.699 -2.738 7.827 1.00 43.54 C ATOM 1690 CG ARG A 100 -12.399 -3.795 6.974 1.00 31.23 C ATOM 1691 CD ARG A 100 -11.416 -4.608 6.136 1.00 62.21 C ATOM 1692 NE ARG A 100 -12.102 -5.558 5.259 1.00 43.53 N ATOM 1693 CZ ARG A 100 -11.540 -6.188 4.260 1.00 41.33 C ATOM 1694 NH1 ARG A 100 -10.288 -6.019 3.975 1.00 55.34 N ATOM 1695 NH2 ARG A 100 -12.241 -6.992 3.539 1.00 52.01 N ATOM 0 H ARG A 100 -13.061 -0.972 6.662 1.00 50.35 H new ATOM 0 HA ARG A 100 -13.340 -2.385 9.192 1.00 13.03 H new ATOM 0 HB2 ARG A 100 -11.044 -2.144 7.190 1.00 43.54 H new ATOM 0 HB3 ARG A 100 -11.065 -3.236 8.560 1.00 43.54 H new ATOM 0 HG2 ARG A 100 -12.963 -4.466 7.622 1.00 31.23 H new ATOM 0 HG3 ARG A 100 -13.119 -3.309 6.315 1.00 31.23 H new ATOM 0 HD2 ARG A 100 -10.807 -3.933 5.534 1.00 62.21 H new ATOM 0 HD3 ARG A 100 -10.737 -5.148 6.796 1.00 62.21 H new ATOM 0 HE ARG A 100 -13.089 -5.742 5.440 1.00 43.53 H new ATOM 0 HH11 ARG A 100 -9.719 -5.384 4.534 1.00 55.34 H new ATOM 0 HH12 ARG A 100 -9.871 -6.521 3.191 1.00 55.34 H new ATOM 0 HH21 ARG A 100 -13.229 -7.135 3.748 1.00 52.01 H new ATOM 0 HH22 ARG A 100 -11.808 -7.486 2.759 1.00 52.01 H new ATOM 1709 N GLY A 101 -12.115 0.467 9.312 1.00 4.43 N ATOM 1710 CA GLY A 101 -11.492 1.459 10.189 1.00 72.43 C ATOM 1711 C GLY A 101 -10.170 2.022 9.660 1.00 70.45 C ATOM 1712 O GLY A 101 -9.506 2.801 10.349 1.00 12.43 O ATOM 0 H GLY A 101 -12.715 0.858 8.586 1.00 4.43 H new ATOM 0 HA2 GLY A 101 -12.190 2.282 10.341 1.00 72.43 H new ATOM 0 HA3 GLY A 101 -11.317 1.006 11.165 1.00 72.43 H new ATOM 1716 N PHE A 102 -9.787 1.640 8.441 1.00 15.21 N ATOM 1717 CA PHE A 102 -8.533 2.116 7.834 1.00 1.33 C ATOM 1718 C PHE A 102 -8.770 3.287 6.867 1.00 4.23 C ATOM 1719 O PHE A 102 -9.849 3.429 6.290 1.00 20.11 O ATOM 1720 CB PHE A 102 -7.837 0.975 7.078 1.00 44.13 C ATOM 1721 CG PHE A 102 -7.383 -0.165 7.954 1.00 43.11 C ATOM 1722 CD1 PHE A 102 -6.233 -0.047 8.721 1.00 32.41 C ATOM 1723 CD2 PHE A 102 -8.097 -1.355 8.004 1.00 72.13 C ATOM 1724 CE1 PHE A 102 -5.802 -1.092 9.516 1.00 3.10 C ATOM 1725 CE2 PHE A 102 -7.670 -2.402 8.800 1.00 23.31 C ATOM 1726 CZ PHE A 102 -6.521 -2.269 9.557 1.00 43.24 C ATOM 0 H PHE A 102 -10.323 1.003 7.851 1.00 15.21 H new ATOM 0 HA PHE A 102 -7.898 2.466 8.648 1.00 1.33 H new ATOM 0 HB2 PHE A 102 -8.519 0.587 6.322 1.00 44.13 H new ATOM 0 HB3 PHE A 102 -6.973 1.379 6.551 1.00 44.13 H new ATOM 0 HD1 PHE A 102 -5.668 0.873 8.696 1.00 32.41 H new ATOM 0 HD2 PHE A 102 -8.996 -1.464 7.415 1.00 72.13 H new ATOM 0 HE1 PHE A 102 -4.903 -0.987 10.105 1.00 3.10 H new ATOM 0 HE2 PHE A 102 -8.234 -3.323 8.830 1.00 23.31 H new ATOM 0 HZ PHE A 102 -6.186 -3.085 10.180 1.00 43.24 H new ATOM 1736 N GLU A 103 -7.751 4.129 6.705 1.00 24.20 N ATOM 1737 CA GLU A 103 -7.767 5.189 5.689 1.00 42.03 C ATOM 1738 C GLU A 103 -7.164 4.666 4.376 1.00 52.04 C ATOM 1739 O GLU A 103 -6.029 4.193 4.360 1.00 71.53 O ATOM 1740 CB GLU A 103 -6.971 6.415 6.170 1.00 65.31 C ATOM 1741 CG GLU A 103 -7.519 7.070 7.436 1.00 61.02 C ATOM 1742 CD GLU A 103 -8.923 7.629 7.258 1.00 50.23 C ATOM 1743 OE1 GLU A 103 -9.080 8.665 6.579 1.00 14.24 O ATOM 1744 OE2 GLU A 103 -9.877 7.038 7.801 1.00 15.30 O ATOM 0 H GLU A 103 -6.899 4.100 7.265 1.00 24.20 H new ATOM 0 HA GLU A 103 -8.802 5.487 5.520 1.00 42.03 H new ATOM 0 HB2 GLU A 103 -5.939 6.114 6.349 1.00 65.31 H new ATOM 0 HB3 GLU A 103 -6.953 7.157 5.371 1.00 65.31 H new ATOM 0 HG2 GLU A 103 -7.525 6.338 8.243 1.00 61.02 H new ATOM 0 HG3 GLU A 103 -6.850 7.875 7.741 1.00 61.02 H new ATOM 1751 N VAL A 104 -7.912 4.751 3.275 1.00 71.51 N ATOM 1752 CA VAL A 104 -7.443 4.208 1.991 1.00 35.31 C ATOM 1753 C VAL A 104 -7.685 5.172 0.813 1.00 71.31 C ATOM 1754 O VAL A 104 -8.698 5.874 0.757 1.00 30.21 O ATOM 1755 CB VAL A 104 -8.101 2.834 1.682 1.00 70.01 C ATOM 1756 CG1 VAL A 104 -9.615 2.965 1.533 1.00 72.14 C ATOM 1757 CG2 VAL A 104 -7.481 2.199 0.439 1.00 72.35 C ATOM 0 H VAL A 104 -8.835 5.184 3.241 1.00 71.51 H new ATOM 0 HA VAL A 104 -6.366 4.075 2.099 1.00 35.31 H new ATOM 0 HB VAL A 104 -7.908 2.176 2.529 1.00 70.01 H new ATOM 0 HG11 VAL A 104 -10.045 1.987 1.317 1.00 72.14 H new ATOM 0 HG12 VAL A 104 -10.040 3.352 2.459 1.00 72.14 H new ATOM 0 HG13 VAL A 104 -9.842 3.650 0.716 1.00 72.14 H new ATOM 0 HG21 VAL A 104 -7.959 1.239 0.244 1.00 72.35 H new ATOM 0 HG22 VAL A 104 -7.627 2.857 -0.417 1.00 72.35 H new ATOM 0 HG23 VAL A 104 -6.414 2.047 0.602 1.00 72.35 H new ATOM 1767 N ARG A 105 -6.730 5.197 -0.116 1.00 25.53 N ATOM 1768 CA ARG A 105 -6.819 5.996 -1.343 1.00 23.42 C ATOM 1769 C ARG A 105 -6.474 5.136 -2.570 1.00 10.21 C ATOM 1770 O ARG A 105 -5.517 4.364 -2.543 1.00 33.24 O ATOM 1771 CB ARG A 105 -5.864 7.199 -1.259 1.00 13.31 C ATOM 1772 CG ARG A 105 -6.310 8.282 -0.281 1.00 15.35 C ATOM 1773 CD ARG A 105 -7.644 8.892 -0.696 1.00 61.12 C ATOM 1774 NE ARG A 105 -8.031 10.023 0.148 1.00 73.42 N ATOM 1775 CZ ARG A 105 -8.649 11.084 -0.293 1.00 0.42 C ATOM 1776 NH1 ARG A 105 -8.953 11.199 -1.547 1.00 51.51 N ATOM 1777 NH2 ARG A 105 -8.978 12.029 0.525 1.00 2.51 N ATOM 0 H ARG A 105 -5.866 4.660 -0.040 1.00 25.53 H new ATOM 0 HA ARG A 105 -7.841 6.359 -1.448 1.00 23.42 H new ATOM 0 HB2 ARG A 105 -4.876 6.845 -0.966 1.00 13.31 H new ATOM 0 HB3 ARG A 105 -5.764 7.639 -2.251 1.00 13.31 H new ATOM 0 HG2 ARG A 105 -6.398 7.857 0.719 1.00 15.35 H new ATOM 0 HG3 ARG A 105 -5.551 9.063 -0.230 1.00 15.35 H new ATOM 0 HD2 ARG A 105 -7.582 9.222 -1.733 1.00 61.12 H new ATOM 0 HD3 ARG A 105 -8.419 8.127 -0.650 1.00 61.12 H new ATOM 0 HE ARG A 105 -7.804 9.979 1.141 1.00 73.42 H new ATOM 0 HH11 ARG A 105 -8.709 10.455 -2.201 1.00 51.51 H new ATOM 0 HH12 ARG A 105 -9.436 12.033 -1.880 1.00 51.51 H new ATOM 0 HH21 ARG A 105 -8.754 11.946 1.517 1.00 2.51 H new ATOM 0 HH22 ARG A 105 -9.461 12.858 0.179 1.00 2.51 H new ATOM 1791 N THR A 106 -7.256 5.267 -3.637 1.00 21.10 N ATOM 1792 CA THR A 106 -7.054 4.465 -4.854 1.00 22.42 C ATOM 1793 C THR A 106 -6.490 5.299 -6.008 1.00 3.12 C ATOM 1794 O THR A 106 -6.810 6.480 -6.151 1.00 65.42 O ATOM 1795 CB THR A 106 -8.373 3.814 -5.326 1.00 71.31 C ATOM 1796 OG1 THR A 106 -9.377 4.821 -5.525 1.00 45.00 O ATOM 1797 CG2 THR A 106 -8.869 2.787 -4.317 1.00 52.45 C ATOM 0 H THR A 106 -8.038 5.920 -3.690 1.00 21.10 H new ATOM 0 HA THR A 106 -6.334 3.692 -4.586 1.00 22.42 H new ATOM 0 HB THR A 106 -8.178 3.304 -6.270 1.00 71.31 H new ATOM 0 HG1 THR A 106 -10.209 4.399 -5.826 1.00 45.00 H new ATOM 0 HG21 THR A 106 -9.799 2.345 -4.675 1.00 52.45 H new ATOM 0 HG22 THR A 106 -8.119 2.006 -4.195 1.00 52.45 H new ATOM 0 HG23 THR A 106 -9.045 3.275 -3.358 1.00 52.45 H new ATOM 1805 N VAL A 107 -5.646 4.671 -6.827 1.00 65.53 N ATOM 1806 CA VAL A 107 -5.083 5.315 -8.018 1.00 25.30 C ATOM 1807 C VAL A 107 -5.093 4.363 -9.227 1.00 14.25 C ATOM 1808 O VAL A 107 -4.811 3.168 -9.099 1.00 20.20 O ATOM 1809 CB VAL A 107 -3.635 5.815 -7.769 1.00 13.42 C ATOM 1810 CG1 VAL A 107 -3.619 6.905 -6.696 1.00 53.23 C ATOM 1811 CG2 VAL A 107 -2.709 4.657 -7.384 1.00 52.41 C ATOM 0 H VAL A 107 -5.334 3.710 -6.687 1.00 65.53 H new ATOM 0 HA VAL A 107 -5.717 6.174 -8.236 1.00 25.30 H new ATOM 0 HB VAL A 107 -3.262 6.244 -8.699 1.00 13.42 H new ATOM 0 HG11 VAL A 107 -2.595 7.243 -6.536 1.00 53.23 H new ATOM 0 HG12 VAL A 107 -4.231 7.746 -7.022 1.00 53.23 H new ATOM 0 HG13 VAL A 107 -4.019 6.505 -5.765 1.00 53.23 H new ATOM 0 HG21 VAL A 107 -1.701 5.037 -7.216 1.00 52.41 H new ATOM 0 HG22 VAL A 107 -3.076 4.185 -6.472 1.00 52.41 H new ATOM 0 HG23 VAL A 107 -2.690 3.923 -8.190 1.00 52.41 H new ATOM 1821 N THR A 108 -5.429 4.900 -10.399 1.00 14.41 N ATOM 1822 CA THR A 108 -5.490 4.101 -11.636 1.00 32.12 C ATOM 1823 C THR A 108 -4.200 4.210 -12.456 1.00 62.22 C ATOM 1824 O THR A 108 -3.928 3.374 -13.316 1.00 22.33 O ATOM 1825 CB THR A 108 -6.668 4.544 -12.537 1.00 0.10 C ATOM 1826 OG1 THR A 108 -6.463 5.894 -12.989 1.00 53.44 O ATOM 1827 CG2 THR A 108 -7.994 4.452 -11.788 1.00 33.10 C ATOM 0 H THR A 108 -5.664 5.885 -10.525 1.00 14.41 H new ATOM 0 HA THR A 108 -5.630 3.068 -11.317 1.00 32.12 H new ATOM 0 HB THR A 108 -6.707 3.874 -13.396 1.00 0.10 H new ATOM 0 HG1 THR A 108 -7.212 6.165 -13.560 1.00 53.44 H new ATOM 0 HG21 THR A 108 -8.805 4.769 -12.444 1.00 33.10 H new ATOM 0 HG22 THR A 108 -8.163 3.422 -11.473 1.00 33.10 H new ATOM 0 HG23 THR A 108 -7.962 5.099 -10.911 1.00 33.10 H new ATOM 1835 N SER A 109 -3.406 5.245 -12.192 1.00 54.52 N ATOM 1836 CA SER A 109 -2.179 5.496 -12.962 1.00 71.23 C ATOM 1837 C SER A 109 -1.053 6.041 -12.070 1.00 4.31 C ATOM 1838 O SER A 109 -1.318 6.741 -11.091 1.00 52.12 O ATOM 1839 CB SER A 109 -2.472 6.492 -14.093 1.00 21.53 C ATOM 1840 OG SER A 109 -1.339 6.675 -14.928 1.00 44.20 O ATOM 0 H SER A 109 -3.585 5.925 -11.453 1.00 54.52 H new ATOM 0 HA SER A 109 -1.845 4.547 -13.381 1.00 71.23 H new ATOM 0 HB2 SER A 109 -3.311 6.132 -14.689 1.00 21.53 H new ATOM 0 HB3 SER A 109 -2.771 7.450 -13.668 1.00 21.53 H new ATOM 0 HG SER A 109 -1.557 7.313 -15.639 1.00 44.20 H new ATOM 1846 N PRO A 110 0.223 5.719 -12.387 1.00 22.43 N ATOM 1847 CA PRO A 110 1.389 6.238 -11.642 1.00 41.34 C ATOM 1848 C PRO A 110 1.366 7.768 -11.465 1.00 71.10 C ATOM 1849 O PRO A 110 1.803 8.288 -10.438 1.00 0.40 O ATOM 1850 CB PRO A 110 2.578 5.810 -12.510 1.00 41.20 C ATOM 1851 CG PRO A 110 2.101 4.585 -13.214 1.00 74.14 C ATOM 1852 CD PRO A 110 0.634 4.808 -13.478 1.00 45.41 C ATOM 0 HA PRO A 110 1.419 5.851 -10.623 1.00 41.34 H new ATOM 0 HB2 PRO A 110 2.856 6.592 -13.217 1.00 41.20 H new ATOM 0 HB3 PRO A 110 3.459 5.602 -11.903 1.00 41.20 H new ATOM 0 HG2 PRO A 110 2.647 4.431 -14.145 1.00 74.14 H new ATOM 0 HG3 PRO A 110 2.258 3.696 -12.602 1.00 74.14 H new ATOM 0 HD2 PRO A 110 0.466 5.254 -14.458 1.00 45.41 H new ATOM 0 HD3 PRO A 110 0.075 3.873 -13.453 1.00 45.41 H new ATOM 1860 N ASP A 111 0.859 8.483 -12.468 1.00 22.13 N ATOM 1861 CA ASP A 111 0.714 9.942 -12.383 1.00 1.53 C ATOM 1862 C ASP A 111 -0.246 10.335 -11.242 1.00 61.14 C ATOM 1863 O ASP A 111 0.050 11.226 -10.442 1.00 61.31 O ATOM 1864 CB ASP A 111 0.215 10.494 -13.721 1.00 14.41 C ATOM 1865 CG ASP A 111 0.172 12.011 -13.746 1.00 71.52 C ATOM 1866 OD1 ASP A 111 1.242 12.639 -13.893 1.00 43.41 O ATOM 1867 OD2 ASP A 111 -0.930 12.583 -13.628 1.00 51.10 O ATOM 0 H ASP A 111 0.541 8.080 -13.349 1.00 22.13 H new ATOM 0 HA ASP A 111 1.689 10.376 -12.163 1.00 1.53 H new ATOM 0 HB2 ASP A 111 0.864 10.139 -14.521 1.00 14.41 H new ATOM 0 HB3 ASP A 111 -0.782 10.102 -13.922 1.00 14.41 H new ATOM 1872 N ASP A 112 -1.393 9.657 -11.172 1.00 71.13 N ATOM 1873 CA ASP A 112 -2.340 9.842 -10.068 1.00 3.00 C ATOM 1874 C ASP A 112 -1.714 9.433 -8.727 1.00 5.12 C ATOM 1875 O ASP A 112 -1.942 10.077 -7.700 1.00 32.04 O ATOM 1876 CB ASP A 112 -3.613 9.031 -10.323 1.00 54.10 C ATOM 1877 CG ASP A 112 -4.396 9.555 -11.512 1.00 60.12 C ATOM 1878 OD1 ASP A 112 -4.082 9.172 -12.657 1.00 73.32 O ATOM 1879 OD2 ASP A 112 -5.320 10.370 -11.305 1.00 34.11 O ATOM 0 H ASP A 112 -1.690 8.973 -11.868 1.00 71.13 H new ATOM 0 HA ASP A 112 -2.595 10.900 -10.015 1.00 3.00 H new ATOM 0 HB2 ASP A 112 -3.349 7.988 -10.495 1.00 54.10 H new ATOM 0 HB3 ASP A 112 -4.243 9.058 -9.434 1.00 54.10 H new ATOM 1884 N PHE A 113 -0.929 8.355 -8.747 1.00 64.24 N ATOM 1885 CA PHE A 113 -0.183 7.911 -7.563 1.00 64.45 C ATOM 1886 C PHE A 113 0.722 9.035 -7.041 1.00 34.14 C ATOM 1887 O PHE A 113 0.729 9.335 -5.851 1.00 53.42 O ATOM 1888 CB PHE A 113 0.646 6.662 -7.900 1.00 4.15 C ATOM 1889 CG PHE A 113 1.510 6.175 -6.761 1.00 44.41 C ATOM 1890 CD1 PHE A 113 0.965 5.428 -5.727 1.00 32.11 C ATOM 1891 CD2 PHE A 113 2.866 6.465 -6.729 1.00 24.24 C ATOM 1892 CE1 PHE A 113 1.756 4.982 -4.686 1.00 4.33 C ATOM 1893 CE2 PHE A 113 3.660 6.022 -5.691 1.00 11.41 C ATOM 1894 CZ PHE A 113 3.105 5.280 -4.668 1.00 55.22 C ATOM 0 H PHE A 113 -0.791 7.770 -9.571 1.00 64.24 H new ATOM 0 HA PHE A 113 -0.895 7.657 -6.778 1.00 64.45 H new ATOM 0 HB2 PHE A 113 -0.029 5.860 -8.200 1.00 4.15 H new ATOM 0 HB3 PHE A 113 1.282 6.881 -8.758 1.00 4.15 H new ATOM 0 HD1 PHE A 113 -0.089 5.193 -5.736 1.00 32.11 H new ATOM 0 HD2 PHE A 113 3.306 7.045 -7.527 1.00 24.24 H new ATOM 0 HE1 PHE A 113 1.320 4.401 -3.887 1.00 4.33 H new ATOM 0 HE2 PHE A 113 4.714 6.256 -5.679 1.00 11.41 H new ATOM 0 HZ PHE A 113 3.725 4.933 -3.854 1.00 55.22 H new ATOM 1904 N LYS A 114 1.475 9.652 -7.948 1.00 1.44 N ATOM 1905 CA LYS A 114 2.312 10.814 -7.628 1.00 51.14 C ATOM 1906 C LYS A 114 1.493 11.937 -6.968 1.00 32.32 C ATOM 1907 O LYS A 114 1.738 12.315 -5.819 1.00 44.14 O ATOM 1908 CB LYS A 114 2.964 11.331 -8.920 1.00 33.44 C ATOM 1909 CG LYS A 114 3.590 12.719 -8.806 1.00 11.12 C ATOM 1910 CD LYS A 114 4.008 13.250 -10.175 1.00 3.14 C ATOM 1911 CE LYS A 114 4.460 14.704 -10.117 1.00 70.43 C ATOM 1912 NZ LYS A 114 4.821 15.221 -11.463 1.00 74.53 N ATOM 0 H LYS A 114 1.525 9.364 -8.925 1.00 1.44 H new ATOM 0 HA LYS A 114 3.078 10.504 -6.917 1.00 51.14 H new ATOM 0 HB2 LYS A 114 3.734 10.624 -9.231 1.00 33.44 H new ATOM 0 HB3 LYS A 114 2.212 11.350 -9.708 1.00 33.44 H new ATOM 0 HG2 LYS A 114 2.878 13.406 -8.349 1.00 11.12 H new ATOM 0 HG3 LYS A 114 4.459 12.676 -8.149 1.00 11.12 H new ATOM 0 HD2 LYS A 114 4.817 12.636 -10.569 1.00 3.14 H new ATOM 0 HD3 LYS A 114 3.172 13.159 -10.868 1.00 3.14 H new ATOM 0 HE2 LYS A 114 3.664 15.316 -9.693 1.00 70.43 H new ATOM 0 HE3 LYS A 114 5.318 14.792 -9.451 1.00 70.43 H new ATOM 0 HZ1 LYS A 114 5.124 16.213 -11.384 1.00 74.53 H new ATOM 0 HZ2 LYS A 114 5.598 14.652 -11.856 1.00 74.53 H new ATOM 0 HZ3 LYS A 114 3.995 15.160 -12.091 1.00 74.53 H new ATOM 1926 N LYS A 115 0.506 12.444 -7.705 1.00 22.24 N ATOM 1927 CA LYS A 115 -0.313 13.579 -7.258 1.00 54.11 C ATOM 1928 C LYS A 115 -0.982 13.322 -5.897 1.00 40.10 C ATOM 1929 O LYS A 115 -1.137 14.239 -5.087 1.00 44.02 O ATOM 1930 CB LYS A 115 -1.371 13.899 -8.322 1.00 71.43 C ATOM 1931 CG LYS A 115 -0.764 14.330 -9.657 1.00 42.01 C ATOM 1932 CD LYS A 115 -1.822 14.593 -10.724 1.00 54.45 C ATOM 1933 CE LYS A 115 -2.616 13.338 -11.067 1.00 35.13 C ATOM 1934 NZ LYS A 115 -3.440 13.514 -12.293 1.00 3.02 N ATOM 0 H LYS A 115 0.249 12.085 -8.624 1.00 22.24 H new ATOM 0 HA LYS A 115 0.350 14.434 -7.126 1.00 54.11 H new ATOM 0 HB2 LYS A 115 -1.996 13.020 -8.480 1.00 71.43 H new ATOM 0 HB3 LYS A 115 -2.022 14.691 -7.952 1.00 71.43 H new ATOM 0 HG2 LYS A 115 -0.171 15.232 -9.508 1.00 42.01 H new ATOM 0 HG3 LYS A 115 -0.083 13.556 -10.009 1.00 42.01 H new ATOM 0 HD2 LYS A 115 -2.504 15.368 -10.374 1.00 54.45 H new ATOM 0 HD3 LYS A 115 -1.341 14.974 -11.625 1.00 54.45 H new ATOM 0 HE2 LYS A 115 -1.930 12.503 -11.209 1.00 35.13 H new ATOM 0 HE3 LYS A 115 -3.264 13.079 -10.229 1.00 35.13 H new ATOM 0 HZ1 LYS A 115 -4.266 12.883 -12.250 1.00 3.02 H new ATOM 0 HZ2 LYS A 115 -3.761 14.501 -12.357 1.00 3.02 H new ATOM 0 HZ3 LYS A 115 -2.870 13.281 -13.131 1.00 3.02 H new ATOM 1948 N SER A 116 -1.377 12.077 -5.649 1.00 43.30 N ATOM 1949 CA SER A 116 -1.987 11.697 -4.365 1.00 42.52 C ATOM 1950 C SER A 116 -0.925 11.547 -3.263 1.00 12.24 C ATOM 1951 O SER A 116 -1.076 12.079 -2.158 1.00 65.30 O ATOM 1952 CB SER A 116 -2.759 10.378 -4.514 1.00 54.05 C ATOM 1953 OG SER A 116 -3.751 10.475 -5.523 1.00 33.44 O ATOM 0 H SER A 116 -1.289 11.310 -6.315 1.00 43.30 H new ATOM 0 HA SER A 116 -2.674 12.493 -4.077 1.00 42.52 H new ATOM 0 HB2 SER A 116 -2.065 9.573 -4.758 1.00 54.05 H new ATOM 0 HB3 SER A 116 -3.227 10.118 -3.564 1.00 54.05 H new ATOM 0 HG SER A 116 -3.334 10.364 -6.403 1.00 33.44 H new ATOM 1959 N LEU A 117 0.155 10.833 -3.581 1.00 72.05 N ATOM 1960 CA LEU A 117 1.219 10.529 -2.615 1.00 73.53 C ATOM 1961 C LEU A 117 1.843 11.805 -2.023 1.00 55.12 C ATOM 1962 O LEU A 117 2.065 11.891 -0.812 1.00 25.51 O ATOM 1963 CB LEU A 117 2.312 9.680 -3.285 1.00 73.54 C ATOM 1964 CG LEU A 117 3.414 9.161 -2.349 1.00 62.21 C ATOM 1965 CD1 LEU A 117 2.845 8.162 -1.344 1.00 24.21 C ATOM 1966 CD2 LEU A 117 4.561 8.537 -3.146 1.00 65.33 C ATOM 0 H LEU A 117 0.320 10.449 -4.511 1.00 72.05 H new ATOM 0 HA LEU A 117 0.766 9.970 -1.796 1.00 73.53 H new ATOM 0 HB2 LEU A 117 1.838 8.826 -3.769 1.00 73.54 H new ATOM 0 HB3 LEU A 117 2.778 10.274 -4.072 1.00 73.54 H new ATOM 0 HG LEU A 117 3.813 10.011 -1.795 1.00 62.21 H new ATOM 0 HD11 LEU A 117 3.643 7.808 -0.692 1.00 24.21 H new ATOM 0 HD12 LEU A 117 2.075 8.647 -0.745 1.00 24.21 H new ATOM 0 HD13 LEU A 117 2.410 7.317 -1.878 1.00 24.21 H new ATOM 0 HD21 LEU A 117 5.328 8.178 -2.460 1.00 65.33 H new ATOM 0 HD22 LEU A 117 4.182 7.702 -3.736 1.00 65.33 H new ATOM 0 HD23 LEU A 117 4.992 9.286 -3.811 1.00 65.33 H new ATOM 1978 N GLU A 118 2.120 12.792 -2.881 1.00 22.43 N ATOM 1979 CA GLU A 118 2.735 14.056 -2.443 1.00 43.43 C ATOM 1980 C GLU A 118 1.968 14.694 -1.275 1.00 51.03 C ATOM 1981 O GLU A 118 2.564 15.095 -0.274 1.00 10.11 O ATOM 1982 CB GLU A 118 2.815 15.062 -3.600 1.00 50.20 C ATOM 1983 CG GLU A 118 3.690 14.612 -4.764 1.00 64.20 C ATOM 1984 CD GLU A 118 3.924 15.730 -5.765 1.00 50.23 C ATOM 1985 OE1 GLU A 118 3.053 15.956 -6.637 1.00 60.24 O ATOM 1986 OE2 GLU A 118 4.969 16.412 -5.665 1.00 55.02 O ATOM 0 H GLU A 118 1.930 12.743 -3.882 1.00 22.43 H new ATOM 0 HA GLU A 118 3.741 13.809 -2.105 1.00 43.43 H new ATOM 0 HB2 GLU A 118 1.808 15.252 -3.971 1.00 50.20 H new ATOM 0 HB3 GLU A 118 3.198 16.008 -3.217 1.00 50.20 H new ATOM 0 HG2 GLU A 118 4.649 14.261 -4.382 1.00 64.20 H new ATOM 0 HG3 GLU A 118 3.218 13.768 -5.267 1.00 64.20 H new ATOM 1993 N ARG A 119 0.646 14.783 -1.410 1.00 73.44 N ATOM 1994 CA ARG A 119 -0.198 15.396 -0.377 1.00 35.32 C ATOM 1995 C ARG A 119 -0.268 14.517 0.880 1.00 70.14 C ATOM 1996 O ARG A 119 0.023 14.971 1.990 1.00 24.53 O ATOM 1997 CB ARG A 119 -1.618 15.638 -0.917 1.00 4.03 C ATOM 1998 CG ARG A 119 -1.671 16.486 -2.187 1.00 43.15 C ATOM 1999 CD ARG A 119 -1.005 17.844 -2.001 1.00 32.13 C ATOM 2000 NE ARG A 119 -1.585 18.607 -0.895 1.00 2.12 N ATOM 2001 CZ ARG A 119 -1.420 19.891 -0.728 1.00 43.53 C ATOM 2002 NH1 ARG A 119 -0.757 20.587 -1.596 1.00 54.32 N ATOM 2003 NH2 ARG A 119 -1.927 20.482 0.303 1.00 63.12 N ATOM 0 H ARG A 119 0.133 14.440 -2.222 1.00 73.44 H new ATOM 0 HA ARG A 119 0.253 16.351 -0.106 1.00 35.32 H new ATOM 0 HB2 ARG A 119 -2.087 14.675 -1.117 1.00 4.03 H new ATOM 0 HB3 ARG A 119 -2.210 16.126 -0.143 1.00 4.03 H new ATOM 0 HG2 ARG A 119 -1.180 15.951 -3.000 1.00 43.15 H new ATOM 0 HG3 ARG A 119 -2.710 16.630 -2.482 1.00 43.15 H new ATOM 0 HD2 ARG A 119 0.060 17.701 -1.820 1.00 32.13 H new ATOM 0 HD3 ARG A 119 -1.097 18.419 -2.922 1.00 32.13 H new ATOM 0 HE ARG A 119 -2.153 18.105 -0.213 1.00 2.12 H new ATOM 0 HH11 ARG A 119 -0.359 20.132 -2.418 1.00 54.32 H new ATOM 0 HH12 ARG A 119 -0.633 21.590 -1.458 1.00 54.32 H new ATOM 0 HH21 ARG A 119 -2.458 19.945 0.989 1.00 63.12 H new ATOM 0 HH22 ARG A 119 -1.797 21.485 0.431 1.00 63.12 H new ATOM 2017 N LEU A 120 -0.635 13.251 0.685 1.00 50.04 N ATOM 2018 CA LEU A 120 -0.833 12.308 1.792 1.00 4.13 C ATOM 2019 C LEU A 120 0.397 12.208 2.711 1.00 12.33 C ATOM 2020 O LEU A 120 0.265 12.224 3.936 1.00 42.12 O ATOM 2021 CB LEU A 120 -1.187 10.923 1.236 1.00 62.54 C ATOM 2022 CG LEU A 120 -2.503 10.854 0.439 1.00 31.32 C ATOM 2023 CD1 LEU A 120 -2.721 9.453 -0.128 1.00 71.34 C ATOM 2024 CD2 LEU A 120 -3.686 11.277 1.311 1.00 25.21 C ATOM 0 H LEU A 120 -0.803 12.849 -0.237 1.00 50.04 H new ATOM 0 HA LEU A 120 -1.655 12.688 2.399 1.00 4.13 H new ATOM 0 HB2 LEU A 120 -0.373 10.588 0.593 1.00 62.54 H new ATOM 0 HB3 LEU A 120 -1.246 10.220 2.067 1.00 62.54 H new ATOM 0 HG LEU A 120 -2.431 11.550 -0.397 1.00 31.32 H new ATOM 0 HD11 LEU A 120 -3.656 9.428 -0.687 1.00 71.34 H new ATOM 0 HD12 LEU A 120 -1.895 9.196 -0.791 1.00 71.34 H new ATOM 0 HD13 LEU A 120 -2.767 8.733 0.689 1.00 71.34 H new ATOM 0 HD21 LEU A 120 -4.606 11.221 0.729 1.00 25.21 H new ATOM 0 HD22 LEU A 120 -3.760 10.612 2.171 1.00 25.21 H new ATOM 0 HD23 LEU A 120 -3.536 12.300 1.656 1.00 25.21 H new ATOM 2036 N ILE A 121 1.585 12.113 2.116 1.00 34.45 N ATOM 2037 CA ILE A 121 2.833 11.988 2.884 1.00 24.43 C ATOM 2038 C ILE A 121 3.024 13.134 3.896 1.00 23.53 C ATOM 2039 O ILE A 121 3.386 12.899 5.051 1.00 25.24 O ATOM 2040 CB ILE A 121 4.065 11.902 1.941 1.00 71.23 C ATOM 2041 CG1 ILE A 121 4.153 10.499 1.314 1.00 14.42 C ATOM 2042 CG2 ILE A 121 5.356 12.253 2.678 1.00 33.21 C ATOM 2043 CD1 ILE A 121 5.373 10.283 0.441 1.00 20.44 C ATOM 0 H ILE A 121 1.715 12.120 1.104 1.00 34.45 H new ATOM 0 HA ILE A 121 2.751 11.060 3.450 1.00 24.43 H new ATOM 0 HB ILE A 121 3.937 12.634 1.144 1.00 71.23 H new ATOM 0 HG12 ILE A 121 4.155 9.756 2.112 1.00 14.42 H new ATOM 0 HG13 ILE A 121 3.258 10.323 0.718 1.00 14.42 H new ATOM 0 HG21 ILE A 121 6.198 12.183 1.990 1.00 33.21 H new ATOM 0 HG22 ILE A 121 5.288 13.269 3.067 1.00 33.21 H new ATOM 0 HG23 ILE A 121 5.504 11.558 3.504 1.00 33.21 H new ATOM 0 HD11 ILE A 121 5.358 9.270 0.039 1.00 20.44 H new ATOM 0 HD12 ILE A 121 5.364 11.000 -0.380 1.00 20.44 H new ATOM 0 HD13 ILE A 121 6.276 10.424 1.036 1.00 20.44 H new ATOM 2055 N ARG A 122 2.773 14.368 3.470 1.00 32.23 N ATOM 2056 CA ARG A 122 2.933 15.524 4.363 1.00 51.23 C ATOM 2057 C ARG A 122 1.903 15.500 5.507 1.00 74.25 C ATOM 2058 O ARG A 122 2.227 15.836 6.646 1.00 71.53 O ATOM 2059 CB ARG A 122 2.843 16.849 3.578 1.00 44.15 C ATOM 2060 CG ARG A 122 4.133 17.227 2.842 1.00 51.15 C ATOM 2061 CD ARG A 122 4.534 16.184 1.802 1.00 44.31 C ATOM 2062 NE ARG A 122 5.810 16.492 1.156 1.00 22.33 N ATOM 2063 CZ ARG A 122 6.103 16.163 -0.074 1.00 62.32 C ATOM 2064 NH1 ARG A 122 5.232 15.565 -0.819 1.00 61.33 N ATOM 2065 NH2 ARG A 122 7.268 16.432 -0.567 1.00 41.33 N ATOM 0 H ARG A 122 2.462 14.598 2.526 1.00 32.23 H new ATOM 0 HA ARG A 122 3.926 15.457 4.807 1.00 51.23 H new ATOM 0 HB2 ARG A 122 2.032 16.776 2.854 1.00 44.15 H new ATOM 0 HB3 ARG A 122 2.582 17.651 4.268 1.00 44.15 H new ATOM 0 HG2 ARG A 122 4.000 18.192 2.353 1.00 51.15 H new ATOM 0 HG3 ARG A 122 4.940 17.345 3.565 1.00 51.15 H new ATOM 0 HD2 ARG A 122 4.600 15.207 2.280 1.00 44.31 H new ATOM 0 HD3 ARG A 122 3.755 16.115 1.043 1.00 44.31 H new ATOM 0 HE ARG A 122 6.513 16.994 1.698 1.00 22.33 H new ATOM 0 HH11 ARG A 122 4.307 15.346 -0.448 1.00 61.33 H new ATOM 0 HH12 ARG A 122 5.469 15.312 -1.778 1.00 61.33 H new ATOM 0 HH21 ARG A 122 7.967 16.905 0.006 1.00 41.33 H new ATOM 0 HH22 ARG A 122 7.488 16.171 -1.528 1.00 41.33 H new ATOM 2079 N GLU A 123 0.678 15.073 5.210 1.00 51.01 N ATOM 2080 CA GLU A 123 -0.388 15.020 6.221 1.00 11.45 C ATOM 2081 C GLU A 123 -0.174 13.874 7.229 1.00 13.30 C ATOM 2082 O GLU A 123 -0.484 14.011 8.415 1.00 14.32 O ATOM 2083 CB GLU A 123 -1.757 14.871 5.542 1.00 74.44 C ATOM 2084 CG GLU A 123 -2.093 16.000 4.572 1.00 33.32 C ATOM 2085 CD GLU A 123 -2.105 17.374 5.231 1.00 41.50 C ATOM 2086 OE1 GLU A 123 -3.048 17.664 6.000 1.00 63.53 O ATOM 2087 OE2 GLU A 123 -1.184 18.180 4.967 1.00 63.55 O ATOM 0 H GLU A 123 0.394 14.759 4.282 1.00 51.01 H new ATOM 0 HA GLU A 123 -0.356 15.958 6.776 1.00 11.45 H new ATOM 0 HB2 GLU A 123 -1.783 13.923 5.004 1.00 74.44 H new ATOM 0 HB3 GLU A 123 -2.529 14.823 6.310 1.00 74.44 H new ATOM 0 HG2 GLU A 123 -1.367 16.000 3.759 1.00 33.32 H new ATOM 0 HG3 GLU A 123 -3.069 15.809 4.127 1.00 33.32 H new ATOM 2094 N VAL A 124 0.351 12.741 6.754 1.00 4.41 N ATOM 2095 CA VAL A 124 0.607 11.583 7.622 1.00 33.10 C ATOM 2096 C VAL A 124 1.975 11.696 8.326 1.00 53.32 C ATOM 2097 O VAL A 124 2.220 11.048 9.346 1.00 22.35 O ATOM 2098 CB VAL A 124 0.533 10.247 6.828 1.00 74.24 C ATOM 2099 CG1 VAL A 124 1.701 10.108 5.856 1.00 2.44 C ATOM 2100 CG2 VAL A 124 0.460 9.048 7.772 1.00 42.34 C ATOM 0 H VAL A 124 0.607 12.599 5.777 1.00 4.41 H new ATOM 0 HA VAL A 124 -0.176 11.580 8.381 1.00 33.10 H new ATOM 0 HB VAL A 124 -0.384 10.268 6.239 1.00 74.24 H new ATOM 0 HG11 VAL A 124 1.617 9.163 5.319 1.00 2.44 H new ATOM 0 HG12 VAL A 124 1.682 10.933 5.144 1.00 2.44 H new ATOM 0 HG13 VAL A 124 2.640 10.128 6.410 1.00 2.44 H new ATOM 0 HG21 VAL A 124 0.409 8.128 7.189 1.00 42.34 H new ATOM 0 HG22 VAL A 124 1.348 9.028 8.404 1.00 42.34 H new ATOM 0 HG23 VAL A 124 -0.429 9.131 8.397 1.00 42.34 H new ATOM 2110 N GLY A 125 2.867 12.516 7.767 1.00 43.10 N ATOM 2111 CA GLY A 125 4.170 12.754 8.382 1.00 41.44 C ATOM 2112 C GLY A 125 4.146 13.897 9.396 1.00 13.33 C ATOM 2113 O GLY A 125 4.456 13.707 10.577 1.00 64.12 O ATOM 0 H GLY A 125 2.711 13.022 6.895 1.00 43.10 H new ATOM 0 HA2 GLY A 125 4.505 11.842 8.877 1.00 41.44 H new ATOM 0 HA3 GLY A 125 4.898 12.980 7.603 1.00 41.44 H new ATOM 2117 N SER A 126 3.779 15.090 8.934 1.00 44.11 N ATOM 2118 CA SER A 126 3.665 16.265 9.810 1.00 35.40 C ATOM 2119 C SER A 126 2.207 16.490 10.231 1.00 63.31 C ATOM 2120 O SER A 126 1.391 16.975 9.449 1.00 33.53 O ATOM 2121 CB SER A 126 4.221 17.518 9.112 1.00 32.04 C ATOM 2122 OG SER A 126 3.587 17.756 7.865 1.00 11.11 O ATOM 0 H SER A 126 3.554 15.274 7.956 1.00 44.11 H new ATOM 0 HA SER A 126 4.256 16.078 10.706 1.00 35.40 H new ATOM 0 HB2 SER A 126 4.085 18.384 9.759 1.00 32.04 H new ATOM 0 HB3 SER A 126 5.294 17.401 8.957 1.00 32.04 H new ATOM 0 HG SER A 126 2.860 17.111 7.739 1.00 11.11 H new ATOM 2128 N LEU A 127 1.887 16.126 11.474 1.00 23.41 N ATOM 2129 CA LEU A 127 0.512 16.227 11.986 1.00 1.23 C ATOM 2130 C LEU A 127 0.330 17.444 12.909 1.00 2.13 C ATOM 2131 O LEU A 127 -0.774 17.716 13.385 1.00 13.31 O ATOM 2132 CB LEU A 127 0.112 14.917 12.703 1.00 20.22 C ATOM 2133 CG LEU A 127 1.138 14.339 13.704 1.00 0.14 C ATOM 2134 CD1 LEU A 127 1.248 15.197 14.962 1.00 24.13 C ATOM 2135 CD2 LEU A 127 0.779 12.901 14.067 1.00 2.34 C ATOM 0 H LEU A 127 2.559 15.758 12.148 1.00 23.41 H new ATOM 0 HA LEU A 127 -0.152 16.376 11.134 1.00 1.23 H new ATOM 0 HB2 LEU A 127 -0.823 15.091 13.235 1.00 20.22 H new ATOM 0 HB3 LEU A 127 -0.089 14.160 11.945 1.00 20.22 H new ATOM 0 HG LEU A 127 2.113 14.347 13.216 1.00 0.14 H new ATOM 0 HD11 LEU A 127 1.979 14.757 15.640 1.00 24.13 H new ATOM 0 HD12 LEU A 127 1.566 16.203 14.689 1.00 24.13 H new ATOM 0 HD13 LEU A 127 0.278 15.244 15.456 1.00 24.13 H new ATOM 0 HD21 LEU A 127 1.512 12.510 14.773 1.00 2.34 H new ATOM 0 HD22 LEU A 127 -0.211 12.877 14.522 1.00 2.34 H new ATOM 0 HD23 LEU A 127 0.779 12.287 13.166 1.00 2.34 H new ATOM 2147 N GLU A 128 1.420 18.164 13.164 1.00 54.15 N ATOM 2148 CA GLU A 128 1.377 19.388 13.971 1.00 73.33 C ATOM 2149 C GLU A 128 1.617 20.633 13.096 1.00 32.01 C ATOM 2150 O GLU A 128 2.534 20.664 12.269 1.00 53.45 O ATOM 2151 CB GLU A 128 2.401 19.331 15.127 1.00 11.44 C ATOM 2152 CG GLU A 128 3.854 19.083 14.710 1.00 75.32 C ATOM 2153 CD GLU A 128 4.156 17.621 14.393 1.00 34.31 C ATOM 2154 OE1 GLU A 128 4.444 16.849 15.335 1.00 61.30 O ATOM 2155 OE2 GLU A 128 4.113 17.239 13.200 1.00 11.30 O ATOM 0 H GLU A 128 2.350 17.922 12.823 1.00 54.15 H new ATOM 0 HA GLU A 128 0.380 19.462 14.406 1.00 73.33 H new ATOM 0 HB2 GLU A 128 2.355 20.271 15.677 1.00 11.44 H new ATOM 0 HB3 GLU A 128 2.100 18.543 15.817 1.00 11.44 H new ATOM 0 HG2 GLU A 128 4.081 19.691 13.834 1.00 75.32 H new ATOM 0 HG3 GLU A 128 4.515 19.417 15.510 1.00 75.32 H new ATOM 2162 N HIS A 129 0.787 21.660 13.274 1.00 3.30 N ATOM 2163 CA HIS A 129 0.855 22.870 12.443 1.00 53.12 C ATOM 2164 C HIS A 129 1.792 23.927 13.058 1.00 72.41 C ATOM 2165 O HIS A 129 1.491 24.511 14.098 1.00 3.12 O ATOM 2166 CB HIS A 129 -0.553 23.461 12.256 1.00 22.12 C ATOM 2167 CG HIS A 129 -0.615 24.592 11.268 1.00 55.22 C ATOM 2168 ND1 HIS A 129 -1.120 24.451 9.994 1.00 74.02 N ATOM 2169 CD2 HIS A 129 -0.236 25.890 11.371 1.00 50.31 C ATOM 2170 CE1 HIS A 129 -1.046 25.604 9.361 1.00 41.22 C ATOM 2171 NE2 HIS A 129 -0.515 26.494 10.171 1.00 54.55 N ATOM 0 H HIS A 129 0.057 21.682 13.986 1.00 3.30 H new ATOM 0 HA HIS A 129 1.262 22.586 11.472 1.00 53.12 H new ATOM 0 HB2 HIS A 129 -1.228 22.670 11.930 1.00 22.12 H new ATOM 0 HB3 HIS A 129 -0.919 23.814 13.220 1.00 22.12 H new ATOM 0 HD2 HIS A 129 0.204 26.361 12.237 1.00 50.31 H new ATOM 0 HE1 HIS A 129 -1.368 25.788 8.347 1.00 41.22 H new ATOM 0 HE2 HIS A 129 -0.339 27.473 9.944 1.00 54.55 H new ATOM 2180 N HIS A 130 2.922 24.177 12.399 1.00 3.01 N ATOM 2181 CA HIS A 130 3.872 25.205 12.849 1.00 22.11 C ATOM 2182 C HIS A 130 4.591 25.859 11.660 1.00 31.15 C ATOM 2183 O HIS A 130 4.715 25.257 10.591 1.00 10.14 O ATOM 2184 CB HIS A 130 4.889 24.611 13.836 1.00 70.22 C ATOM 2185 CG HIS A 130 5.668 23.450 13.294 1.00 52.40 C ATOM 2186 ND1 HIS A 130 6.955 23.564 12.820 1.00 54.01 N ATOM 2187 CD2 HIS A 130 5.342 22.142 13.170 1.00 4.54 C ATOM 2188 CE1 HIS A 130 7.385 22.383 12.429 1.00 5.21 C ATOM 2189 NE2 HIS A 130 6.429 21.502 12.632 1.00 54.24 N ATOM 0 H HIS A 130 3.206 23.685 11.552 1.00 3.01 H new ATOM 0 HA HIS A 130 3.304 25.980 13.363 1.00 22.11 H new ATOM 0 HB2 HIS A 130 5.586 25.393 14.136 1.00 70.22 H new ATOM 0 HB3 HIS A 130 4.362 24.292 14.735 1.00 70.22 H new ATOM 0 HD2 HIS A 130 4.401 21.687 13.444 1.00 4.54 H new ATOM 0 HE1 HIS A 130 8.359 22.173 12.012 1.00 5.21 H new ATOM 0 HE2 HIS A 130 6.487 20.505 12.423 1.00 54.24 H new ATOM 2198 N HIS A 131 5.062 27.090 11.855 1.00 54.05 N ATOM 2199 CA HIS A 131 5.733 27.844 10.787 1.00 12.23 C ATOM 2200 C HIS A 131 7.052 27.181 10.373 1.00 34.42 C ATOM 2201 O HIS A 131 7.918 26.920 11.209 1.00 54.21 O ATOM 2202 CB HIS A 131 6.006 29.285 11.235 1.00 33.52 C ATOM 2203 CG HIS A 131 4.773 30.058 11.580 1.00 3.54 C ATOM 2204 ND1 HIS A 131 3.996 30.702 10.643 1.00 13.44 N ATOM 2205 CD2 HIS A 131 4.187 30.298 12.776 1.00 64.34 C ATOM 2206 CE1 HIS A 131 2.991 31.303 11.243 1.00 25.11 C ATOM 2207 NE2 HIS A 131 3.083 31.075 12.536 1.00 31.12 N ATOM 0 H HIS A 131 4.993 27.590 12.741 1.00 54.05 H new ATOM 0 HA HIS A 131 5.064 27.851 9.926 1.00 12.23 H new ATOM 0 HB2 HIS A 131 6.665 29.266 12.103 1.00 33.52 H new ATOM 0 HB3 HIS A 131 6.539 29.807 10.440 1.00 33.52 H new ATOM 0 HD2 HIS A 131 4.525 29.944 13.739 1.00 64.34 H new ATOM 0 HE1 HIS A 131 2.221 31.885 10.757 1.00 25.11 H new ATOM 0 HE2 HIS A 131 2.437 31.421 13.246 1.00 31.12 H new ATOM 2216 N HIS A 132 7.206 26.916 9.080 1.00 10.32 N ATOM 2217 CA HIS A 132 8.428 26.292 8.564 1.00 42.25 C ATOM 2218 C HIS A 132 9.563 27.320 8.405 1.00 41.12 C ATOM 2219 O HIS A 132 10.713 26.955 8.156 1.00 51.22 O ATOM 2220 CB HIS A 132 8.139 25.579 7.235 1.00 12.34 C ATOM 2221 CG HIS A 132 7.185 24.428 7.375 1.00 11.53 C ATOM 2222 ND1 HIS A 132 6.669 23.733 6.302 1.00 63.32 N ATOM 2223 CD2 HIS A 132 6.659 23.842 8.479 1.00 24.14 C ATOM 2224 CE1 HIS A 132 5.873 22.778 6.739 1.00 62.12 C ATOM 2225 NE2 HIS A 132 5.850 22.821 8.054 1.00 10.41 N ATOM 0 H HIS A 132 6.504 27.121 8.369 1.00 10.32 H new ATOM 0 HA HIS A 132 8.763 25.551 9.290 1.00 42.25 H new ATOM 0 HB2 HIS A 132 7.728 26.298 6.526 1.00 12.34 H new ATOM 0 HB3 HIS A 132 9.076 25.216 6.814 1.00 12.34 H new ATOM 0 HD2 HIS A 132 6.844 24.127 9.504 1.00 24.14 H new ATOM 0 HE1 HIS A 132 5.330 22.078 6.121 1.00 62.12 H new ATOM 0 HE2 HIS A 132 5.317 22.196 8.659 1.00 10.41 H new ATOM 2234 N HIS A 133 9.236 28.605 8.556 1.00 13.13 N ATOM 2235 CA HIS A 133 10.254 29.660 8.582 1.00 43.14 C ATOM 2236 C HIS A 133 10.909 29.717 9.972 1.00 40.32 C ATOM 2237 O HIS A 133 10.658 30.629 10.762 1.00 25.11 O ATOM 2238 CB HIS A 133 9.629 31.018 8.216 1.00 23.25 C ATOM 2239 CG HIS A 133 10.624 32.129 8.052 1.00 44.00 C ATOM 2240 ND1 HIS A 133 11.256 32.404 6.860 1.00 0.31 N ATOM 2241 CD2 HIS A 133 11.091 33.041 8.938 1.00 50.31 C ATOM 2242 CE1 HIS A 133 12.066 33.430 7.018 1.00 53.42 C ATOM 2243 NE2 HIS A 133 11.986 33.836 8.269 1.00 33.12 N ATOM 0 H HIS A 133 8.279 28.940 8.662 1.00 13.13 H new ATOM 0 HA HIS A 133 11.022 29.432 7.843 1.00 43.14 H new ATOM 0 HB2 HIS A 133 9.067 30.909 7.288 1.00 23.25 H new ATOM 0 HB3 HIS A 133 8.914 31.297 8.990 1.00 23.25 H new ATOM 0 HD2 HIS A 133 10.811 33.126 9.978 1.00 50.31 H new ATOM 0 HE1 HIS A 133 12.690 33.865 6.252 1.00 53.42 H new ATOM 0 HE2 HIS A 133 12.505 34.615 8.674 1.00 33.12 H new ATOM 2252 N HIS A 134 11.714 28.702 10.272 1.00 45.04 N ATOM 2253 CA HIS A 134 12.366 28.571 11.585 1.00 4.05 C ATOM 2254 C HIS A 134 13.859 28.964 11.516 1.00 71.12 C ATOM 2255 O HIS A 134 14.706 28.080 11.255 1.00 37.82 O ATOM 2256 CB HIS A 134 12.193 27.127 12.093 1.00 41.23 C ATOM 2257 CG HIS A 134 12.826 26.857 13.428 1.00 21.03 C ATOM 2258 ND1 HIS A 134 12.338 27.363 14.612 1.00 3.44 N ATOM 2259 CD2 HIS A 134 13.910 26.116 13.760 1.00 1.33 C ATOM 2260 CE1 HIS A 134 13.092 26.948 15.610 1.00 43.33 C ATOM 2261 NE2 HIS A 134 14.051 26.191 15.122 1.00 61.02 N ATOM 2262 OXT HIS A 134 14.176 30.156 11.718 1.00 37.82 O ATOM 0 H HIS A 134 11.936 27.948 9.622 1.00 45.04 H new ATOM 0 HA HIS A 134 11.891 29.257 12.286 1.00 4.05 H new ATOM 0 HB2 HIS A 134 11.128 26.903 12.158 1.00 41.23 H new ATOM 0 HB3 HIS A 134 12.618 26.443 11.358 1.00 41.23 H new ATOM 0 HD2 HIS A 134 14.545 25.568 13.079 1.00 1.33 H new ATOM 0 HE1 HIS A 134 12.947 27.189 16.653 1.00 43.33 H new ATOM 0 HE2 HIS A 134 14.781 25.734 15.668 1.00 61.02 H new TER 2271 HIS A 134