USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 634 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 Single : A 1 MET CE :methyl -158:sc= -0.218 (180deg=-0.838) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0.625 (180deg=0.564) USER MOD Single : A 5 LYS NZ :NH3+ 178:sc= 0.884 (180deg=0.877) USER MOD Single : A 9 SER OG : rot -32:sc= 0.263 USER MOD Single : A 16 LYS NZ :NH3+ -150:sc= 0.103 (180deg=-0.4) USER MOD Single : A 24 GLN : amide:sc= -0.0781 X(o=-0.078,f=-0.1) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.109) USER MOD Single : A 29 THR OG1 : rot 105:sc= 0.266 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 45:sc= 0.23 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc=-0.000518 X(o=-0.00052,f=-0.15) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0822 USER MOD Single : A 45 LYS NZ :NH3+ 168:sc= -0.028 (180deg=-0.189) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -140:sc= -1.74 (180deg=-5.85!) USER MOD Single : A 52 LYS NZ :NH3+ 173:sc=-0.00811 (180deg=-0.0846) USER MOD Single : A 55 LYS NZ :NH3+ -163:sc= 0.717 (180deg=0.577) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 157:sc= -3.17 (180deg=-4.02!) USER MOD Single : A 60 ASN : amide:sc= -0.423 X(o=-0.42,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -126:sc= 1.02 (180deg=-0.237) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.0215 X(o=-0.022,f=-0.0028) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 75 HIS : no HE2:sc= 0.0822 K(o=0.082,f=-0.77) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.125 X(o=-0.12,f=0.006) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.541 14.312 -3.834 1.00 21.20 N ATOM 2 CA MET A 1 1.559 13.214 -4.002 1.00 55.13 C ATOM 3 C MET A 1 2.220 12.052 -4.744 1.00 11.21 C ATOM 4 O MET A 1 2.428 12.135 -5.959 1.00 73.35 O ATOM 5 CB MET A 1 0.298 13.685 -4.783 1.00 13.22 C ATOM 6 CG MET A 1 -0.473 14.833 -4.135 1.00 12.03 C ATOM 7 SD MET A 1 -1.888 15.351 -5.138 1.00 14.43 S ATOM 8 CE MET A 1 -1.112 15.777 -6.708 1.00 34.11 C ATOM 0 H1 MET A 1 2.127 15.061 -3.242 1.00 21.20 H new ATOM 0 H2 MET A 1 3.399 13.943 -3.376 1.00 21.20 H new ATOM 0 H3 MET A 1 2.787 14.703 -4.766 1.00 21.20 H new ATOM 0 HA MET A 1 1.237 12.893 -3.011 1.00 55.13 H new ATOM 0 HB2 MET A 1 0.603 13.992 -5.784 1.00 13.22 H new ATOM 0 HB3 MET A 1 -0.376 12.836 -4.901 1.00 13.22 H new ATOM 0 HG2 MET A 1 -0.821 14.525 -3.149 1.00 12.03 H new ATOM 0 HG3 MET A 1 0.196 15.681 -3.987 1.00 12.03 H new ATOM 0 HE1 MET A 1 -1.761 16.455 -7.262 1.00 34.11 H new ATOM 0 HE2 MET A 1 -0.154 16.263 -6.521 1.00 34.11 H new ATOM 0 HE3 MET A 1 -0.951 14.871 -7.292 1.00 34.11 H new ATOM 20 N VAL A 2 2.539 10.973 -4.013 1.00 22.25 N ATOM 21 CA VAL A 2 3.248 9.802 -4.568 1.00 30.32 C ATOM 22 C VAL A 2 2.236 8.678 -4.866 1.00 40.32 C ATOM 23 O VAL A 2 1.279 8.483 -4.112 1.00 32.35 O ATOM 24 CB VAL A 2 4.347 9.270 -3.566 1.00 75.30 C ATOM 25 CG1 VAL A 2 5.268 8.211 -4.232 1.00 51.34 C ATOM 26 CG2 VAL A 2 5.173 10.434 -2.962 1.00 12.22 C ATOM 0 H VAL A 2 2.315 10.884 -3.022 1.00 22.25 H new ATOM 0 HA VAL A 2 3.744 10.110 -5.488 1.00 30.32 H new ATOM 0 HB VAL A 2 3.824 8.776 -2.747 1.00 75.30 H new ATOM 0 HG11 VAL A 2 6.011 7.870 -3.511 1.00 51.34 H new ATOM 0 HG12 VAL A 2 4.668 7.364 -4.564 1.00 51.34 H new ATOM 0 HG13 VAL A 2 5.773 8.656 -5.090 1.00 51.34 H new ATOM 0 HG21 VAL A 2 5.920 10.033 -2.277 1.00 12.22 H new ATOM 0 HG22 VAL A 2 5.671 10.980 -3.763 1.00 12.22 H new ATOM 0 HG23 VAL A 2 4.509 11.108 -2.421 1.00 12.22 H new ATOM 36 N ASP A 3 2.447 7.951 -5.970 1.00 32.34 N ATOM 37 CA ASP A 3 1.653 6.765 -6.316 1.00 53.02 C ATOM 38 C ASP A 3 2.527 5.525 -6.090 1.00 72.50 C ATOM 39 O ASP A 3 3.537 5.325 -6.781 1.00 64.15 O ATOM 40 CB ASP A 3 1.134 6.839 -7.773 1.00 73.42 C ATOM 41 CG ASP A 3 0.481 5.524 -8.255 1.00 3.54 C ATOM 42 OD1 ASP A 3 -0.658 5.227 -7.847 1.00 40.45 O ATOM 43 OD2 ASP A 3 1.116 4.779 -9.037 1.00 65.32 O ATOM 0 H ASP A 3 3.175 8.169 -6.650 1.00 32.34 H new ATOM 0 HA ASP A 3 0.769 6.712 -5.680 1.00 53.02 H new ATOM 0 HB2 ASP A 3 0.408 7.648 -7.852 1.00 73.42 H new ATOM 0 HB3 ASP A 3 1.963 7.089 -8.435 1.00 73.42 H new ATOM 48 N LEU A 4 2.142 4.733 -5.087 1.00 71.23 N ATOM 49 CA LEU A 4 2.817 3.494 -4.712 1.00 61.54 C ATOM 50 C LEU A 4 2.079 2.317 -5.366 1.00 10.14 C ATOM 51 O LEU A 4 0.918 2.079 -5.052 1.00 62.54 O ATOM 52 CB LEU A 4 2.809 3.350 -3.158 1.00 71.11 C ATOM 53 CG LEU A 4 3.372 4.561 -2.339 1.00 43.03 C ATOM 54 CD1 LEU A 4 3.217 4.329 -0.822 1.00 0.00 C ATOM 55 CD2 LEU A 4 4.840 4.864 -2.702 1.00 2.51 C ATOM 0 H LEU A 4 1.334 4.942 -4.501 1.00 71.23 H new ATOM 0 HA LEU A 4 3.852 3.505 -5.054 1.00 61.54 H new ATOM 0 HB2 LEU A 4 1.783 3.170 -2.838 1.00 71.11 H new ATOM 0 HB3 LEU A 4 3.386 2.463 -2.895 1.00 71.11 H new ATOM 0 HG LEU A 4 2.780 5.435 -2.610 1.00 43.03 H new ATOM 0 HD11 LEU A 4 3.617 5.186 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 4 2.162 4.206 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.763 3.431 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.193 5.710 -2.113 1.00 2.51 H new ATOM 0 HD22 LEU A 4 5.456 3.990 -2.488 1.00 2.51 H new ATOM 0 HD23 LEU A 4 4.910 5.106 -3.762 1.00 2.51 H new ATOM 67 N LYS A 5 2.745 1.622 -6.296 1.00 42.14 N ATOM 68 CA LYS A 5 2.240 0.370 -6.883 1.00 44.40 C ATOM 69 C LYS A 5 2.887 -0.796 -6.129 1.00 40.31 C ATOM 70 O LYS A 5 4.102 -1.000 -6.223 1.00 32.15 O ATOM 71 CB LYS A 5 2.553 0.271 -8.405 1.00 52.53 C ATOM 72 CG LYS A 5 1.743 1.227 -9.309 1.00 14.03 C ATOM 73 CD LYS A 5 2.096 1.050 -10.812 1.00 0.23 C ATOM 74 CE LYS A 5 1.290 1.977 -11.743 1.00 2.21 C ATOM 75 NZ LYS A 5 1.596 3.413 -11.513 1.00 35.32 N ATOM 0 H LYS A 5 3.651 1.911 -6.665 1.00 42.14 H new ATOM 0 HA LYS A 5 1.155 0.341 -6.786 1.00 44.40 H new ATOM 0 HB2 LYS A 5 3.615 0.468 -8.554 1.00 52.53 H new ATOM 0 HB3 LYS A 5 2.370 -0.753 -8.731 1.00 52.53 H new ATOM 0 HG2 LYS A 5 0.678 1.047 -9.164 1.00 14.03 H new ATOM 0 HG3 LYS A 5 1.936 2.258 -9.011 1.00 14.03 H new ATOM 0 HD2 LYS A 5 3.160 1.242 -10.953 1.00 0.23 H new ATOM 0 HD3 LYS A 5 1.918 0.014 -11.100 1.00 0.23 H new ATOM 0 HE2 LYS A 5 1.507 1.723 -12.781 1.00 2.21 H new ATOM 0 HE3 LYS A 5 0.225 1.806 -11.589 1.00 2.21 H new ATOM 0 HZ1 LYS A 5 1.056 3.995 -12.185 1.00 35.32 H new ATOM 0 HZ2 LYS A 5 1.333 3.673 -10.541 1.00 35.32 H new ATOM 0 HZ3 LYS A 5 2.613 3.578 -11.652 1.00 35.32 H new ATOM 89 N ILE A 6 2.077 -1.538 -5.364 1.00 12.01 N ATOM 90 CA ILE A 6 2.549 -2.701 -4.595 1.00 41.44 C ATOM 91 C ILE A 6 2.139 -3.966 -5.361 1.00 33.22 C ATOM 92 O ILE A 6 0.940 -4.202 -5.549 1.00 74.33 O ATOM 93 CB ILE A 6 1.964 -2.771 -3.116 1.00 34.10 C ATOM 94 CG1 ILE A 6 2.384 -1.523 -2.247 1.00 54.32 C ATOM 95 CG2 ILE A 6 2.403 -4.092 -2.416 1.00 24.30 C ATOM 96 CD1 ILE A 6 1.637 -0.230 -2.537 1.00 53.12 C ATOM 0 H ILE A 6 1.080 -1.352 -5.259 1.00 12.01 H new ATOM 0 HA ILE A 6 3.630 -2.613 -4.490 1.00 41.44 H new ATOM 0 HB ILE A 6 0.877 -2.756 -3.200 1.00 34.10 H new ATOM 0 HG12 ILE A 6 2.244 -1.773 -1.195 1.00 54.32 H new ATOM 0 HG13 ILE A 6 3.449 -1.345 -2.393 1.00 54.32 H new ATOM 0 HG21 ILE A 6 1.994 -4.122 -1.406 1.00 24.30 H new ATOM 0 HG22 ILE A 6 2.032 -4.945 -2.984 1.00 24.30 H new ATOM 0 HG23 ILE A 6 3.491 -4.134 -2.368 1.00 24.30 H new ATOM 0 HD11 ILE A 6 2.007 0.559 -1.882 1.00 53.12 H new ATOM 0 HD12 ILE A 6 1.796 0.057 -3.576 1.00 53.12 H new ATOM 0 HD13 ILE A 6 0.572 -0.378 -2.360 1.00 53.12 H new ATOM 108 N ASP A 7 3.124 -4.750 -5.833 1.00 21.15 N ATOM 109 CA ASP A 7 2.855 -6.062 -6.447 1.00 22.44 C ATOM 110 C ASP A 7 2.190 -6.985 -5.410 1.00 74.22 C ATOM 111 O ASP A 7 2.711 -7.141 -4.300 1.00 62.00 O ATOM 112 CB ASP A 7 4.164 -6.726 -6.960 1.00 52.52 C ATOM 113 CG ASP A 7 4.869 -5.951 -8.089 1.00 4.14 C ATOM 114 OD1 ASP A 7 4.255 -5.754 -9.155 1.00 73.12 O ATOM 115 OD2 ASP A 7 6.049 -5.574 -7.940 1.00 21.13 O ATOM 0 H ASP A 7 4.112 -4.498 -5.801 1.00 21.15 H new ATOM 0 HA ASP A 7 2.192 -5.910 -7.298 1.00 22.44 H new ATOM 0 HB2 ASP A 7 4.854 -6.834 -6.124 1.00 52.52 H new ATOM 0 HB3 ASP A 7 3.933 -7.731 -7.314 1.00 52.52 H new ATOM 120 N VAL A 8 1.051 -7.602 -5.776 1.00 33.20 N ATOM 121 CA VAL A 8 0.327 -8.527 -4.897 1.00 60.44 C ATOM 122 C VAL A 8 -0.041 -9.780 -5.711 1.00 63.21 C ATOM 123 O VAL A 8 -0.699 -9.704 -6.754 1.00 72.25 O ATOM 124 CB VAL A 8 -0.953 -7.884 -4.211 1.00 22.21 C ATOM 125 CG1 VAL A 8 -0.547 -6.855 -3.124 1.00 10.13 C ATOM 126 CG2 VAL A 8 -1.908 -7.238 -5.241 1.00 34.54 C ATOM 0 H VAL A 8 0.611 -7.471 -6.687 1.00 33.20 H new ATOM 0 HA VAL A 8 0.984 -8.790 -4.068 1.00 60.44 H new ATOM 0 HB VAL A 8 -1.495 -8.699 -3.732 1.00 22.21 H new ATOM 0 HG11 VAL A 8 -1.443 -6.431 -2.671 1.00 10.13 H new ATOM 0 HG12 VAL A 8 0.047 -7.352 -2.357 1.00 10.13 H new ATOM 0 HG13 VAL A 8 0.041 -6.058 -3.579 1.00 10.13 H new ATOM 0 HG21 VAL A 8 -2.768 -6.812 -4.723 1.00 34.54 H new ATOM 0 HG22 VAL A 8 -1.382 -6.450 -5.780 1.00 34.54 H new ATOM 0 HG23 VAL A 8 -2.248 -7.996 -5.947 1.00 34.54 H new ATOM 136 N SER A 9 0.432 -10.928 -5.213 1.00 4.32 N ATOM 137 CA SER A 9 0.260 -12.241 -5.862 1.00 62.33 C ATOM 138 C SER A 9 -1.064 -12.924 -5.443 1.00 65.14 C ATOM 139 O SER A 9 -1.373 -14.031 -5.906 1.00 11.13 O ATOM 140 CB SER A 9 1.491 -13.126 -5.522 1.00 35.35 C ATOM 141 OG SER A 9 1.442 -14.389 -6.164 1.00 23.23 O ATOM 0 H SER A 9 0.952 -10.976 -4.337 1.00 4.32 H new ATOM 0 HA SER A 9 0.198 -12.101 -6.941 1.00 62.33 H new ATOM 0 HB2 SER A 9 2.402 -12.606 -5.818 1.00 35.35 H new ATOM 0 HB3 SER A 9 1.544 -13.272 -4.443 1.00 35.35 H new ATOM 0 HG SER A 9 0.508 -14.670 -6.262 1.00 23.23 H new ATOM 147 N ASP A 10 -1.856 -12.234 -4.604 1.00 24.41 N ATOM 148 CA ASP A 10 -3.081 -12.800 -4.012 1.00 11.52 C ATOM 149 C ASP A 10 -4.112 -11.675 -3.763 1.00 44.31 C ATOM 150 O ASP A 10 -3.735 -10.510 -3.577 1.00 53.15 O ATOM 151 CB ASP A 10 -2.712 -13.550 -2.697 1.00 20.11 C ATOM 152 CG ASP A 10 -3.874 -14.353 -2.094 1.00 13.43 C ATOM 153 OD1 ASP A 10 -4.109 -15.496 -2.534 1.00 53.43 O ATOM 154 OD2 ASP A 10 -4.563 -13.847 -1.192 1.00 54.15 O ATOM 0 H ASP A 10 -1.667 -11.273 -4.318 1.00 24.41 H new ATOM 0 HA ASP A 10 -3.536 -13.515 -4.697 1.00 11.52 H new ATOM 0 HB2 ASP A 10 -1.881 -14.226 -2.896 1.00 20.11 H new ATOM 0 HB3 ASP A 10 -2.364 -12.825 -1.962 1.00 20.11 H new ATOM 159 N ASP A 11 -5.401 -12.052 -3.723 1.00 53.21 N ATOM 160 CA ASP A 11 -6.521 -11.094 -3.598 1.00 51.31 C ATOM 161 C ASP A 11 -6.725 -10.710 -2.125 1.00 53.30 C ATOM 162 O ASP A 11 -6.964 -9.543 -1.796 1.00 30.31 O ATOM 163 CB ASP A 11 -7.818 -11.708 -4.184 1.00 64.33 C ATOM 164 CG ASP A 11 -9.044 -10.784 -4.034 1.00 71.20 C ATOM 165 OD1 ASP A 11 -9.190 -9.845 -4.846 1.00 61.13 O ATOM 166 OD2 ASP A 11 -9.847 -10.968 -3.085 1.00 0.54 O ATOM 0 H ASP A 11 -5.699 -13.026 -3.776 1.00 53.21 H new ATOM 0 HA ASP A 11 -6.280 -10.193 -4.162 1.00 51.31 H new ATOM 0 HB2 ASP A 11 -7.664 -11.929 -5.240 1.00 64.33 H new ATOM 0 HB3 ASP A 11 -8.022 -12.656 -3.686 1.00 64.33 H new ATOM 171 N GLU A 12 -6.614 -11.710 -1.248 1.00 62.25 N ATOM 172 CA GLU A 12 -6.825 -11.554 0.199 1.00 34.11 C ATOM 173 C GLU A 12 -5.632 -10.771 0.795 1.00 54.02 C ATOM 174 O GLU A 12 -5.817 -9.853 1.603 1.00 3.20 O ATOM 175 CB GLU A 12 -7.020 -12.973 0.829 1.00 40.34 C ATOM 176 CG GLU A 12 -7.517 -13.030 2.295 1.00 41.43 C ATOM 177 CD GLU A 12 -6.410 -12.790 3.340 1.00 42.01 C ATOM 178 OE1 GLU A 12 -5.600 -13.708 3.583 1.00 12.54 O ATOM 179 OE2 GLU A 12 -6.340 -11.689 3.919 1.00 32.25 O ATOM 0 H GLU A 12 -6.373 -12.662 -1.522 1.00 62.25 H new ATOM 0 HA GLU A 12 -7.723 -10.978 0.422 1.00 34.11 H new ATOM 0 HB2 GLU A 12 -7.728 -13.524 0.210 1.00 40.34 H new ATOM 0 HB3 GLU A 12 -6.069 -13.502 0.773 1.00 40.34 H new ATOM 0 HG2 GLU A 12 -8.300 -12.284 2.432 1.00 41.43 H new ATOM 0 HG3 GLU A 12 -7.970 -14.005 2.477 1.00 41.43 H new ATOM 186 N GLU A 13 -4.410 -11.144 0.361 1.00 75.00 N ATOM 187 CA GLU A 13 -3.153 -10.444 0.725 1.00 44.52 C ATOM 188 C GLU A 13 -3.109 -8.993 0.186 1.00 12.51 C ATOM 189 O GLU A 13 -2.383 -8.138 0.717 1.00 64.31 O ATOM 190 CB GLU A 13 -1.940 -11.283 0.236 1.00 53.35 C ATOM 191 CG GLU A 13 -0.536 -10.722 0.600 1.00 21.24 C ATOM 192 CD GLU A 13 -0.332 -10.419 2.096 1.00 52.42 C ATOM 193 OE1 GLU A 13 -0.682 -11.274 2.951 1.00 31.14 O ATOM 194 OE2 GLU A 13 0.217 -9.339 2.414 1.00 32.42 O ATOM 0 H GLU A 13 -4.263 -11.943 -0.255 1.00 75.00 H new ATOM 0 HA GLU A 13 -3.108 -10.355 1.810 1.00 44.52 H new ATOM 0 HB2 GLU A 13 -2.027 -12.288 0.650 1.00 53.35 H new ATOM 0 HB3 GLU A 13 -2.002 -11.378 -0.848 1.00 53.35 H new ATOM 0 HG2 GLU A 13 0.220 -11.440 0.282 1.00 21.24 H new ATOM 0 HG3 GLU A 13 -0.367 -9.807 0.032 1.00 21.24 H new ATOM 201 N ALA A 14 -3.887 -8.719 -0.869 1.00 62.14 N ATOM 202 CA ALA A 14 -4.080 -7.356 -1.383 1.00 62.52 C ATOM 203 C ALA A 14 -4.929 -6.525 -0.397 1.00 54.30 C ATOM 204 O ALA A 14 -4.610 -5.363 -0.117 1.00 23.05 O ATOM 205 CB ALA A 14 -4.732 -7.399 -2.773 1.00 23.50 C ATOM 0 H ALA A 14 -4.399 -9.432 -1.389 1.00 62.14 H new ATOM 0 HA ALA A 14 -3.107 -6.874 -1.479 1.00 62.52 H new ATOM 0 HB1 ALA A 14 -4.869 -6.383 -3.142 1.00 23.50 H new ATOM 0 HB2 ALA A 14 -4.090 -7.951 -3.459 1.00 23.50 H new ATOM 0 HB3 ALA A 14 -5.701 -7.894 -2.705 1.00 23.50 H new ATOM 211 N GLU A 15 -5.995 -7.156 0.146 1.00 73.54 N ATOM 212 CA GLU A 15 -6.921 -6.517 1.117 1.00 31.21 C ATOM 213 C GLU A 15 -6.231 -6.226 2.465 1.00 33.42 C ATOM 214 O GLU A 15 -6.676 -5.336 3.207 1.00 4.34 O ATOM 215 CB GLU A 15 -8.166 -7.403 1.343 1.00 50.12 C ATOM 216 CG GLU A 15 -8.978 -7.693 0.068 1.00 15.13 C ATOM 217 CD GLU A 15 -10.127 -8.678 0.321 1.00 43.33 C ATOM 218 OE1 GLU A 15 -9.847 -9.852 0.643 1.00 11.33 O ATOM 219 OE2 GLU A 15 -11.309 -8.285 0.233 1.00 51.13 O ATOM 0 H GLU A 15 -6.240 -8.121 -0.074 1.00 73.54 H new ATOM 0 HA GLU A 15 -7.230 -5.564 0.688 1.00 31.21 H new ATOM 0 HB2 GLU A 15 -7.849 -8.350 1.781 1.00 50.12 H new ATOM 0 HB3 GLU A 15 -8.816 -6.917 2.071 1.00 50.12 H new ATOM 0 HG2 GLU A 15 -9.382 -6.759 -0.323 1.00 15.13 H new ATOM 0 HG3 GLU A 15 -8.316 -8.099 -0.697 1.00 15.13 H new ATOM 226 N LYS A 16 -5.160 -6.995 2.773 1.00 3.10 N ATOM 227 CA LYS A 16 -4.296 -6.746 3.948 1.00 31.52 C ATOM 228 C LYS A 16 -3.775 -5.301 3.918 1.00 51.42 C ATOM 229 O LYS A 16 -3.927 -4.545 4.879 1.00 4.22 O ATOM 230 CB LYS A 16 -3.070 -7.700 3.962 1.00 42.13 C ATOM 231 CG LYS A 16 -3.368 -9.201 4.111 1.00 23.21 C ATOM 232 CD LYS A 16 -4.047 -9.590 5.452 1.00 54.41 C ATOM 233 CE LYS A 16 -3.556 -10.953 5.987 1.00 1.12 C ATOM 234 NZ LYS A 16 -3.501 -12.000 4.924 1.00 13.24 N ATOM 0 H LYS A 16 -4.873 -7.800 2.217 1.00 3.10 H new ATOM 0 HA LYS A 16 -4.899 -6.921 4.839 1.00 31.52 H new ATOM 0 HB2 LYS A 16 -2.513 -7.553 3.036 1.00 42.13 H new ATOM 0 HB3 LYS A 16 -2.414 -7.400 4.779 1.00 42.13 H new ATOM 0 HG2 LYS A 16 -4.010 -9.515 3.288 1.00 23.21 H new ATOM 0 HG3 LYS A 16 -2.434 -9.756 4.016 1.00 23.21 H new ATOM 0 HD2 LYS A 16 -3.847 -8.818 6.195 1.00 54.41 H new ATOM 0 HD3 LYS A 16 -5.127 -9.625 5.312 1.00 54.41 H new ATOM 0 HE2 LYS A 16 -2.565 -10.832 6.424 1.00 1.12 H new ATOM 0 HE3 LYS A 16 -4.219 -11.286 6.786 1.00 1.12 H new ATOM 0 HZ1 LYS A 16 -3.672 -12.934 5.348 1.00 13.24 H new ATOM 0 HZ2 LYS A 16 -4.230 -11.806 4.208 1.00 13.24 H new ATOM 0 HZ3 LYS A 16 -2.563 -11.990 4.475 1.00 13.24 H new ATOM 248 N ILE A 17 -3.211 -4.945 2.754 1.00 44.34 N ATOM 249 CA ILE A 17 -2.497 -3.678 2.535 1.00 41.51 C ATOM 250 C ILE A 17 -3.471 -2.498 2.628 1.00 3.44 C ATOM 251 O ILE A 17 -3.193 -1.493 3.300 1.00 72.21 O ATOM 252 CB ILE A 17 -1.773 -3.696 1.132 1.00 55.04 C ATOM 253 CG1 ILE A 17 -0.910 -5.001 0.970 1.00 62.43 C ATOM 254 CG2 ILE A 17 -0.927 -2.421 0.911 1.00 12.30 C ATOM 255 CD1 ILE A 17 0.018 -5.322 2.138 1.00 10.32 C ATOM 0 H ILE A 17 -3.239 -5.539 1.925 1.00 44.34 H new ATOM 0 HA ILE A 17 -1.740 -3.560 3.311 1.00 41.51 H new ATOM 0 HB ILE A 17 -2.541 -3.704 0.358 1.00 55.04 H new ATOM 0 HG12 ILE A 17 -1.583 -5.845 0.821 1.00 62.43 H new ATOM 0 HG13 ILE A 17 -0.309 -4.909 0.065 1.00 62.43 H new ATOM 0 HG21 ILE A 17 -0.444 -2.469 -0.065 1.00 12.30 H new ATOM 0 HG22 ILE A 17 -1.573 -1.544 0.953 1.00 12.30 H new ATOM 0 HG23 ILE A 17 -0.167 -2.349 1.689 1.00 12.30 H new ATOM 0 HD11 ILE A 17 0.566 -6.240 1.925 1.00 10.32 H new ATOM 0 HD12 ILE A 17 0.723 -4.502 2.279 1.00 10.32 H new ATOM 0 HD13 ILE A 17 -0.571 -5.453 3.045 1.00 10.32 H new ATOM 267 N ILE A 18 -4.632 -2.677 1.975 1.00 24.33 N ATOM 268 CA ILE A 18 -5.744 -1.713 1.987 1.00 1.21 C ATOM 269 C ILE A 18 -6.142 -1.375 3.438 1.00 15.52 C ATOM 270 O ILE A 18 -6.248 -0.199 3.815 1.00 3.53 O ATOM 271 CB ILE A 18 -6.988 -2.296 1.213 1.00 15.43 C ATOM 272 CG1 ILE A 18 -6.586 -2.722 -0.238 1.00 61.10 C ATOM 273 CG2 ILE A 18 -8.169 -1.291 1.193 1.00 43.12 C ATOM 274 CD1 ILE A 18 -7.682 -3.418 -1.027 1.00 52.43 C ATOM 0 H ILE A 18 -4.826 -3.508 1.416 1.00 24.33 H new ATOM 0 HA ILE A 18 -5.414 -0.802 1.487 1.00 1.21 H new ATOM 0 HB ILE A 18 -7.326 -3.183 1.748 1.00 15.43 H new ATOM 0 HG12 ILE A 18 -6.270 -1.835 -0.787 1.00 61.10 H new ATOM 0 HG13 ILE A 18 -5.723 -3.385 -0.180 1.00 61.10 H new ATOM 0 HG21 ILE A 18 -9.008 -1.727 0.651 1.00 43.12 H new ATOM 0 HG22 ILE A 18 -8.474 -1.067 2.215 1.00 43.12 H new ATOM 0 HG23 ILE A 18 -7.856 -0.372 0.698 1.00 43.12 H new ATOM 0 HD11 ILE A 18 -7.309 -3.675 -2.019 1.00 52.43 H new ATOM 0 HD12 ILE A 18 -7.984 -4.327 -0.506 1.00 52.43 H new ATOM 0 HD13 ILE A 18 -8.540 -2.753 -1.123 1.00 52.43 H new ATOM 286 N ARG A 19 -6.286 -2.446 4.251 1.00 23.14 N ATOM 287 CA ARG A 19 -6.718 -2.355 5.649 1.00 65.14 C ATOM 288 C ARG A 19 -5.726 -1.520 6.480 1.00 64.14 C ATOM 289 O ARG A 19 -6.112 -0.502 7.059 1.00 4.44 O ATOM 290 CB ARG A 19 -6.880 -3.777 6.251 1.00 11.13 C ATOM 291 CG ARG A 19 -7.426 -3.800 7.699 1.00 2.22 C ATOM 292 CD ARG A 19 -7.614 -5.224 8.238 1.00 3.44 C ATOM 293 NE ARG A 19 -8.199 -5.221 9.587 1.00 52.22 N ATOM 294 CZ ARG A 19 -8.535 -6.308 10.295 1.00 3.21 C ATOM 295 NH1 ARG A 19 -8.359 -7.533 9.811 1.00 1.23 N ATOM 296 NH2 ARG A 19 -9.064 -6.157 11.490 1.00 51.24 N ATOM 0 H ARG A 19 -6.102 -3.402 3.945 1.00 23.14 H new ATOM 0 HA ARG A 19 -7.684 -1.851 5.679 1.00 65.14 H new ATOM 0 HB2 ARG A 19 -7.550 -4.354 5.614 1.00 11.13 H new ATOM 0 HB3 ARG A 19 -5.912 -4.279 6.233 1.00 11.13 H new ATOM 0 HG2 ARG A 19 -6.741 -3.257 8.350 1.00 2.22 H new ATOM 0 HG3 ARG A 19 -8.380 -3.275 7.732 1.00 2.22 H new ATOM 0 HD2 ARG A 19 -8.259 -5.787 7.563 1.00 3.44 H new ATOM 0 HD3 ARG A 19 -6.652 -5.735 8.260 1.00 3.44 H new ATOM 0 HE ARG A 19 -8.363 -4.313 10.022 1.00 52.22 H new ATOM 0 HH11 ARG A 19 -7.960 -7.662 8.881 1.00 1.23 H new ATOM 0 HH12 ARG A 19 -8.623 -8.345 10.369 1.00 1.23 H new ATOM 0 HH21 ARG A 19 -9.214 -5.221 11.867 1.00 51.24 H new ATOM 0 HH22 ARG A 19 -9.324 -6.976 12.040 1.00 51.24 H new ATOM 310 N GLU A 20 -4.441 -1.934 6.470 1.00 53.14 N ATOM 311 CA GLU A 20 -3.386 -1.345 7.330 1.00 75.34 C ATOM 312 C GLU A 20 -3.198 0.150 7.066 1.00 61.21 C ATOM 313 O GLU A 20 -3.040 0.945 8.007 1.00 64.11 O ATOM 314 CB GLU A 20 -2.039 -2.085 7.126 1.00 70.32 C ATOM 315 CG GLU A 20 -2.101 -3.606 7.369 1.00 35.25 C ATOM 316 CD GLU A 20 -2.680 -3.991 8.745 1.00 71.33 C ATOM 317 OE1 GLU A 20 -1.927 -3.973 9.745 1.00 64.35 O ATOM 318 OE2 GLU A 20 -3.895 -4.306 8.835 1.00 74.20 O ATOM 0 H GLU A 20 -4.104 -2.685 5.867 1.00 53.14 H new ATOM 0 HA GLU A 20 -3.714 -1.465 8.363 1.00 75.34 H new ATOM 0 HB2 GLU A 20 -1.692 -1.906 6.108 1.00 70.32 H new ATOM 0 HB3 GLU A 20 -1.296 -1.653 7.797 1.00 70.32 H new ATOM 0 HG2 GLU A 20 -2.707 -4.065 6.588 1.00 35.25 H new ATOM 0 HG3 GLU A 20 -1.097 -4.021 7.278 1.00 35.25 H new ATOM 325 N ILE A 21 -3.222 0.521 5.776 1.00 22.14 N ATOM 326 CA ILE A 21 -3.047 1.913 5.359 1.00 5.44 C ATOM 327 C ILE A 21 -4.265 2.764 5.777 1.00 72.14 C ATOM 328 O ILE A 21 -4.098 3.901 6.205 1.00 60.11 O ATOM 329 CB ILE A 21 -2.790 2.032 3.814 1.00 21.41 C ATOM 330 CG1 ILE A 21 -1.557 1.164 3.380 1.00 60.43 C ATOM 331 CG2 ILE A 21 -2.594 3.510 3.407 1.00 23.43 C ATOM 332 CD1 ILE A 21 -0.253 1.498 4.076 1.00 12.34 C ATOM 0 H ILE A 21 -3.362 -0.131 5.004 1.00 22.14 H new ATOM 0 HA ILE A 21 -2.163 2.298 5.867 1.00 5.44 H new ATOM 0 HB ILE A 21 -3.668 1.648 3.294 1.00 21.41 H new ATOM 0 HG12 ILE A 21 -1.789 0.115 3.563 1.00 60.43 H new ATOM 0 HG13 ILE A 21 -1.415 1.276 2.305 1.00 60.43 H new ATOM 0 HG21 ILE A 21 -2.417 3.571 2.333 1.00 23.43 H new ATOM 0 HG22 ILE A 21 -3.488 4.079 3.661 1.00 23.43 H new ATOM 0 HG23 ILE A 21 -1.738 3.924 3.940 1.00 23.43 H new ATOM 0 HD11 ILE A 21 0.535 0.843 3.706 1.00 12.34 H new ATOM 0 HD12 ILE A 21 0.013 2.535 3.873 1.00 12.34 H new ATOM 0 HD13 ILE A 21 -0.368 1.357 5.151 1.00 12.34 H new ATOM 344 N ARG A 22 -5.479 2.186 5.686 1.00 4.14 N ATOM 345 CA ARG A 22 -6.732 2.885 6.078 1.00 42.14 C ATOM 346 C ARG A 22 -6.875 2.997 7.618 1.00 4.30 C ATOM 347 O ARG A 22 -7.665 3.818 8.101 1.00 32.23 O ATOM 348 CB ARG A 22 -7.980 2.179 5.476 1.00 43.44 C ATOM 349 CG ARG A 22 -8.198 2.370 3.952 1.00 22.52 C ATOM 350 CD ARG A 22 -8.583 3.817 3.568 1.00 4.45 C ATOM 351 NE ARG A 22 -8.984 3.925 2.147 1.00 40.04 N ATOM 352 CZ ARG A 22 -9.316 5.069 1.522 1.00 70.34 C ATOM 353 NH1 ARG A 22 -9.303 6.234 2.170 1.00 33.23 N ATOM 354 NH2 ARG A 22 -9.650 5.047 0.239 1.00 62.23 N ATOM 0 H ARG A 22 -5.625 1.236 5.345 1.00 4.14 H new ATOM 0 HA ARG A 22 -6.670 3.895 5.672 1.00 42.14 H new ATOM 0 HB2 ARG A 22 -7.904 1.111 5.681 1.00 43.44 H new ATOM 0 HB3 ARG A 22 -8.865 2.541 5.998 1.00 43.44 H new ATOM 0 HG2 ARG A 22 -7.286 2.091 3.423 1.00 22.52 H new ATOM 0 HG3 ARG A 22 -8.982 1.691 3.616 1.00 22.52 H new ATOM 0 HD2 ARG A 22 -9.402 4.155 4.203 1.00 4.45 H new ATOM 0 HD3 ARG A 22 -7.739 4.480 3.758 1.00 4.45 H new ATOM 0 HE ARG A 22 -9.011 3.065 1.599 1.00 40.04 H new ATOM 0 HH11 ARG A 22 -9.039 6.267 3.155 1.00 33.23 H new ATOM 0 HH12 ARG A 22 -9.557 7.092 1.681 1.00 33.23 H new ATOM 0 HH21 ARG A 22 -9.655 4.164 -0.272 1.00 62.23 H new ATOM 0 HH22 ARG A 22 -9.902 5.913 -0.237 1.00 62.23 H new ATOM 368 N GLU A 23 -6.120 2.172 8.386 1.00 51.24 N ATOM 369 CA GLU A 23 -6.167 2.204 9.865 1.00 11.21 C ATOM 370 C GLU A 23 -5.389 3.419 10.394 1.00 44.01 C ATOM 371 O GLU A 23 -5.883 4.160 11.255 1.00 45.54 O ATOM 372 CB GLU A 23 -5.601 0.891 10.485 1.00 3.53 C ATOM 373 CG GLU A 23 -6.447 -0.373 10.226 1.00 62.40 C ATOM 374 CD GLU A 23 -7.901 -0.237 10.712 1.00 23.11 C ATOM 375 OE1 GLU A 23 -8.142 -0.328 11.936 1.00 21.31 O ATOM 376 OE2 GLU A 23 -8.808 -0.018 9.882 1.00 24.45 O ATOM 0 H GLU A 23 -5.475 1.480 8.005 1.00 51.24 H new ATOM 0 HA GLU A 23 -7.212 2.289 10.163 1.00 11.21 H new ATOM 0 HB2 GLU A 23 -4.598 0.725 10.092 1.00 3.53 H new ATOM 0 HB3 GLU A 23 -5.502 1.029 11.562 1.00 3.53 H new ATOM 0 HG2 GLU A 23 -6.446 -0.591 9.158 1.00 62.40 H new ATOM 0 HG3 GLU A 23 -5.981 -1.223 10.725 1.00 62.40 H new ATOM 383 N GLN A 24 -4.173 3.623 9.856 1.00 65.53 N ATOM 384 CA GLN A 24 -3.312 4.756 10.241 1.00 13.05 C ATOM 385 C GLN A 24 -3.751 6.032 9.490 1.00 42.54 C ATOM 386 O GLN A 24 -4.031 7.052 10.121 1.00 52.34 O ATOM 387 CB GLN A 24 -1.806 4.453 9.981 1.00 3.32 C ATOM 388 CG GLN A 24 -1.131 3.474 10.977 1.00 30.32 C ATOM 389 CD GLN A 24 -1.615 2.027 10.865 1.00 43.42 C ATOM 390 OE1 GLN A 24 -2.556 1.621 11.541 1.00 64.14 O ATOM 391 NE2 GLN A 24 -0.961 1.240 10.025 1.00 31.12 N ATOM 0 H GLN A 24 -3.762 3.013 9.149 1.00 65.53 H new ATOM 0 HA GLN A 24 -3.427 4.916 11.313 1.00 13.05 H new ATOM 0 HB2 GLN A 24 -1.706 4.044 8.975 1.00 3.32 H new ATOM 0 HB3 GLN A 24 -1.257 5.395 9.999 1.00 3.32 H new ATOM 0 HG2 GLN A 24 -0.053 3.497 10.817 1.00 30.32 H new ATOM 0 HG3 GLN A 24 -1.310 3.827 11.993 1.00 30.32 H new ATOM 0 HE21 GLN A 24 -0.184 1.611 9.479 1.00 31.12 H new ATOM 0 HE22 GLN A 24 -1.235 0.263 9.924 1.00 31.12 H new ATOM 400 N TRP A 25 -3.832 5.944 8.144 1.00 62.41 N ATOM 401 CA TRP A 25 -4.167 7.092 7.258 1.00 22.32 C ATOM 402 C TRP A 25 -5.517 6.851 6.541 1.00 41.40 C ATOM 403 O TRP A 25 -5.542 6.241 5.467 1.00 71.22 O ATOM 404 CB TRP A 25 -3.048 7.322 6.199 1.00 52.44 C ATOM 405 CG TRP A 25 -1.664 7.387 6.780 1.00 14.43 C ATOM 406 CD1 TRP A 25 -1.035 8.487 7.293 1.00 31.13 C ATOM 407 CD2 TRP A 25 -0.742 6.293 6.919 1.00 14.54 C ATOM 408 NE1 TRP A 25 0.207 8.140 7.756 1.00 23.50 N ATOM 409 CE2 TRP A 25 0.409 6.800 7.538 1.00 51.34 C ATOM 410 CE3 TRP A 25 -0.789 4.930 6.587 1.00 20.03 C ATOM 411 CZ2 TRP A 25 1.506 6.001 7.833 1.00 12.22 C ATOM 412 CZ3 TRP A 25 0.304 4.136 6.882 1.00 2.10 C ATOM 413 CH2 TRP A 25 1.438 4.675 7.504 1.00 32.12 C ATOM 0 H TRP A 25 -3.667 5.075 7.636 1.00 62.41 H new ATOM 0 HA TRP A 25 -4.248 7.981 7.883 1.00 22.32 H new ATOM 0 HB2 TRP A 25 -3.086 6.518 5.464 1.00 52.44 H new ATOM 0 HB3 TRP A 25 -3.251 8.251 5.666 1.00 52.44 H new ATOM 0 HD1 TRP A 25 -1.455 9.482 7.328 1.00 31.13 H new ATOM 0 HE1 TRP A 25 0.875 8.776 8.193 1.00 23.50 H new ATOM 0 HE3 TRP A 25 -1.662 4.509 6.110 1.00 20.03 H new ATOM 0 HZ2 TRP A 25 2.385 6.413 8.307 1.00 12.22 H new ATOM 0 HZ3 TRP A 25 0.283 3.086 6.630 1.00 2.10 H new ATOM 0 HH2 TRP A 25 2.275 4.031 7.728 1.00 32.12 H new ATOM 424 N PRO A 26 -6.674 7.302 7.123 1.00 54.32 N ATOM 425 CA PRO A 26 -7.987 7.223 6.435 1.00 32.14 C ATOM 426 C PRO A 26 -8.060 8.167 5.210 1.00 13.13 C ATOM 427 O PRO A 26 -8.890 7.970 4.319 1.00 11.23 O ATOM 428 CB PRO A 26 -8.998 7.620 7.542 1.00 13.11 C ATOM 429 CG PRO A 26 -8.208 8.463 8.500 1.00 5.23 C ATOM 430 CD PRO A 26 -6.809 7.878 8.494 1.00 11.11 C ATOM 0 HA PRO A 26 -8.186 6.235 6.020 1.00 32.14 H new ATOM 0 HB2 PRO A 26 -9.840 8.175 7.128 1.00 13.11 H new ATOM 0 HB3 PRO A 26 -9.409 6.740 8.036 1.00 13.11 H new ATOM 0 HG2 PRO A 26 -8.198 9.507 8.188 1.00 5.23 H new ATOM 0 HG3 PRO A 26 -8.642 8.433 9.499 1.00 5.23 H new ATOM 0 HD2 PRO A 26 -6.055 8.641 8.684 1.00 11.11 H new ATOM 0 HD3 PRO A 26 -6.691 7.115 9.263 1.00 11.11 H new ATOM 438 N LYS A 27 -7.186 9.195 5.187 1.00 53.33 N ATOM 439 CA LYS A 27 -7.075 10.146 4.062 1.00 42.42 C ATOM 440 C LYS A 27 -6.310 9.555 2.859 1.00 44.43 C ATOM 441 O LYS A 27 -6.354 10.123 1.772 1.00 74.40 O ATOM 442 CB LYS A 27 -6.373 11.450 4.535 1.00 60.25 C ATOM 443 CG LYS A 27 -4.958 11.235 5.139 1.00 72.01 C ATOM 444 CD LYS A 27 -4.270 12.564 5.525 1.00 32.41 C ATOM 445 CE LYS A 27 -2.984 12.357 6.341 1.00 51.43 C ATOM 446 NZ LYS A 27 -3.253 11.779 7.682 1.00 33.14 N ATOM 0 H LYS A 27 -6.537 9.389 5.949 1.00 53.33 H new ATOM 0 HA LYS A 27 -8.090 10.365 3.729 1.00 42.42 H new ATOM 0 HB2 LYS A 27 -6.294 12.133 3.689 1.00 60.25 H new ATOM 0 HB3 LYS A 27 -7.002 11.937 5.280 1.00 60.25 H new ATOM 0 HG2 LYS A 27 -5.036 10.600 6.022 1.00 72.01 H new ATOM 0 HG3 LYS A 27 -4.336 10.704 4.419 1.00 72.01 H new ATOM 0 HD2 LYS A 27 -4.033 13.121 4.619 1.00 32.41 H new ATOM 0 HD3 LYS A 27 -4.966 13.173 6.101 1.00 32.41 H new ATOM 0 HE2 LYS A 27 -2.311 11.698 5.793 1.00 51.43 H new ATOM 0 HE3 LYS A 27 -2.472 13.312 6.456 1.00 51.43 H new ATOM 0 HZ1 LYS A 27 -2.396 11.846 8.267 1.00 33.14 H new ATOM 0 HZ2 LYS A 27 -4.025 12.305 8.138 1.00 33.14 H new ATOM 0 HZ3 LYS A 27 -3.527 10.781 7.581 1.00 33.14 H new ATOM 460 N ALA A 28 -5.556 8.466 3.078 1.00 73.00 N ATOM 461 CA ALA A 28 -4.845 7.757 1.999 1.00 54.32 C ATOM 462 C ALA A 28 -5.832 7.086 1.026 1.00 61.40 C ATOM 463 O ALA A 28 -6.497 6.122 1.404 1.00 74.31 O ATOM 464 CB ALA A 28 -3.913 6.714 2.606 1.00 53.12 C ATOM 0 H ALA A 28 -5.422 8.053 4.001 1.00 73.00 H new ATOM 0 HA ALA A 28 -4.263 8.483 1.432 1.00 54.32 H new ATOM 0 HB1 ALA A 28 -3.386 6.189 1.809 1.00 53.12 H new ATOM 0 HB2 ALA A 28 -3.190 7.207 3.256 1.00 53.12 H new ATOM 0 HB3 ALA A 28 -4.496 6.000 3.188 1.00 53.12 H new ATOM 470 N THR A 29 -5.922 7.605 -0.217 1.00 4.43 N ATOM 471 CA THR A 29 -6.830 7.050 -1.236 1.00 64.15 C ATOM 472 C THR A 29 -6.249 5.715 -1.756 1.00 2.31 C ATOM 473 O THR A 29 -5.288 5.706 -2.537 1.00 64.43 O ATOM 474 CB THR A 29 -7.039 8.039 -2.438 1.00 41.42 C ATOM 475 OG1 THR A 29 -7.166 9.385 -1.960 1.00 71.20 O ATOM 476 CG2 THR A 29 -8.284 7.676 -3.280 1.00 31.15 C ATOM 0 H THR A 29 -5.377 8.406 -0.536 1.00 4.43 H new ATOM 0 HA THR A 29 -7.803 6.888 -0.772 1.00 64.15 H new ATOM 0 HB THR A 29 -6.161 7.953 -3.078 1.00 41.42 H new ATOM 0 HG1 THR A 29 -6.338 9.877 -2.143 1.00 71.20 H new ATOM 0 HG21 THR A 29 -8.389 8.387 -4.100 1.00 31.15 H new ATOM 0 HG22 THR A 29 -8.169 6.670 -3.684 1.00 31.15 H new ATOM 0 HG23 THR A 29 -9.173 7.715 -2.650 1.00 31.15 H new ATOM 484 N VAL A 30 -6.820 4.589 -1.292 1.00 12.24 N ATOM 485 CA VAL A 30 -6.367 3.246 -1.689 1.00 11.12 C ATOM 486 C VAL A 30 -7.206 2.762 -2.883 1.00 31.53 C ATOM 487 O VAL A 30 -8.432 2.940 -2.895 1.00 34.44 O ATOM 488 CB VAL A 30 -6.479 2.208 -0.507 1.00 4.14 C ATOM 489 CG1 VAL A 30 -5.802 0.869 -0.888 1.00 20.30 C ATOM 490 CG2 VAL A 30 -5.887 2.773 0.814 1.00 10.22 C ATOM 0 H VAL A 30 -7.602 4.585 -0.637 1.00 12.24 H new ATOM 0 HA VAL A 30 -5.315 3.315 -1.965 1.00 11.12 H new ATOM 0 HB VAL A 30 -7.539 2.021 -0.334 1.00 4.14 H new ATOM 0 HG11 VAL A 30 -5.891 0.167 -0.059 1.00 20.30 H new ATOM 0 HG12 VAL A 30 -6.290 0.453 -1.769 1.00 20.30 H new ATOM 0 HG13 VAL A 30 -4.748 1.043 -1.105 1.00 20.30 H new ATOM 0 HG21 VAL A 30 -5.983 2.028 1.604 1.00 10.22 H new ATOM 0 HG22 VAL A 30 -4.834 3.013 0.668 1.00 10.22 H new ATOM 0 HG23 VAL A 30 -6.428 3.675 1.099 1.00 10.22 H new ATOM 500 N THR A 31 -6.550 2.153 -3.872 1.00 63.21 N ATOM 501 CA THR A 31 -7.210 1.614 -5.071 1.00 72.33 C ATOM 502 C THR A 31 -6.868 0.124 -5.193 1.00 62.53 C ATOM 503 O THR A 31 -5.685 -0.258 -5.145 1.00 33.10 O ATOM 504 CB THR A 31 -6.760 2.390 -6.348 1.00 45.34 C ATOM 505 OG1 THR A 31 -6.997 3.799 -6.163 1.00 52.25 O ATOM 506 CG2 THR A 31 -7.479 1.891 -7.626 1.00 50.13 C ATOM 0 H THR A 31 -5.539 2.017 -3.867 1.00 63.21 H new ATOM 0 HA THR A 31 -8.289 1.735 -4.978 1.00 72.33 H new ATOM 0 HB THR A 31 -5.695 2.206 -6.489 1.00 45.34 H new ATOM 0 HG1 THR A 31 -6.713 4.286 -6.964 1.00 52.25 H new ATOM 0 HG21 THR A 31 -7.131 2.463 -8.486 1.00 50.13 H new ATOM 0 HG22 THR A 31 -7.258 0.835 -7.779 1.00 50.13 H new ATOM 0 HG23 THR A 31 -8.555 2.024 -7.513 1.00 50.13 H new ATOM 514 N ARG A 32 -7.903 -0.713 -5.352 1.00 62.40 N ATOM 515 CA ARG A 32 -7.782 -2.171 -5.365 1.00 50.14 C ATOM 516 C ARG A 32 -7.896 -2.665 -6.819 1.00 74.14 C ATOM 517 O ARG A 32 -8.956 -2.525 -7.438 1.00 41.12 O ATOM 518 CB ARG A 32 -8.922 -2.762 -4.495 1.00 12.23 C ATOM 519 CG ARG A 32 -9.010 -4.301 -4.486 1.00 40.51 C ATOM 520 CD ARG A 32 -10.272 -4.809 -3.771 1.00 42.53 C ATOM 521 NE ARG A 32 -11.505 -4.266 -4.378 1.00 1.30 N ATOM 522 CZ ARG A 32 -12.747 -4.738 -4.180 1.00 32.24 C ATOM 523 NH1 ARG A 32 -12.972 -5.786 -3.399 1.00 3.03 N ATOM 524 NH2 ARG A 32 -13.772 -4.130 -4.755 1.00 4.14 N ATOM 0 H ARG A 32 -8.861 -0.387 -5.477 1.00 62.40 H new ATOM 0 HA ARG A 32 -6.821 -2.489 -4.961 1.00 50.14 H new ATOM 0 HB2 ARG A 32 -8.792 -2.415 -3.470 1.00 12.23 H new ATOM 0 HB3 ARG A 32 -9.872 -2.362 -4.849 1.00 12.23 H new ATOM 0 HG2 ARG A 32 -9.003 -4.669 -5.512 1.00 40.51 H new ATOM 0 HG3 ARG A 32 -8.127 -4.710 -3.995 1.00 40.51 H new ATOM 0 HD2 ARG A 32 -10.298 -5.898 -3.809 1.00 42.53 H new ATOM 0 HD3 ARG A 32 -10.231 -4.528 -2.719 1.00 42.53 H new ATOM 0 HE ARG A 32 -11.404 -3.464 -5.001 1.00 1.30 H new ATOM 0 HH11 ARG A 32 -12.193 -6.252 -2.933 1.00 3.03 H new ATOM 0 HH12 ARG A 32 -13.924 -6.126 -3.264 1.00 3.03 H new ATOM 0 HH21 ARG A 32 -13.615 -3.311 -5.342 1.00 4.14 H new ATOM 0 HH22 ARG A 32 -14.719 -4.480 -4.611 1.00 4.14 H new ATOM 538 N THR A 33 -6.804 -3.232 -7.354 1.00 21.03 N ATOM 539 CA THR A 33 -6.721 -3.667 -8.758 1.00 53.30 C ATOM 540 C THR A 33 -5.940 -4.986 -8.774 1.00 63.22 C ATOM 541 O THR A 33 -4.734 -4.922 -8.756 1.00 13.22 O ATOM 542 CB THR A 33 -6.011 -2.572 -9.653 1.00 34.04 C ATOM 543 OG1 THR A 33 -4.824 -2.084 -8.989 1.00 62.21 O ATOM 544 CG2 THR A 33 -6.932 -1.383 -9.971 1.00 35.53 C ATOM 0 H THR A 33 -5.950 -3.403 -6.823 1.00 21.03 H new ATOM 0 HA THR A 33 -7.718 -3.807 -9.176 1.00 53.30 H new ATOM 0 HB THR A 33 -5.750 -3.055 -10.595 1.00 34.04 H new ATOM 0 HG1 THR A 33 -4.319 -2.840 -8.624 1.00 62.21 H new ATOM 0 HG21 THR A 33 -6.395 -0.662 -10.587 1.00 35.53 H new ATOM 0 HG22 THR A 33 -7.811 -1.737 -10.510 1.00 35.53 H new ATOM 0 HG23 THR A 33 -7.244 -0.906 -9.042 1.00 35.53 H new ATOM 552 N ASN A 34 -6.628 -6.160 -8.815 1.00 21.23 N ATOM 553 CA ASN A 34 -5.983 -7.504 -8.596 1.00 12.32 C ATOM 554 C ASN A 34 -4.663 -7.674 -9.405 1.00 74.11 C ATOM 555 O ASN A 34 -4.679 -7.634 -10.639 1.00 24.12 O ATOM 556 CB ASN A 34 -6.967 -8.655 -8.941 1.00 41.11 C ATOM 557 CG ASN A 34 -6.433 -10.051 -8.553 1.00 1.10 C ATOM 558 OD1 ASN A 34 -5.695 -10.206 -7.578 1.00 21.23 O ATOM 559 ND2 ASN A 34 -6.822 -11.078 -9.296 1.00 5.14 N ATOM 0 H ASN A 34 -7.630 -6.212 -8.997 1.00 21.23 H new ATOM 0 HA ASN A 34 -5.727 -7.554 -7.538 1.00 12.32 H new ATOM 0 HB2 ASN A 34 -7.913 -8.480 -8.429 1.00 41.11 H new ATOM 0 HB3 ASN A 34 -7.175 -8.638 -10.011 1.00 41.11 H new ATOM 0 HD21 ASN A 34 -6.510 -12.021 -9.065 1.00 5.14 H new ATOM 0 HD22 ASN A 34 -7.433 -10.925 -10.098 1.00 5.14 H new ATOM 566 N GLY A 35 -3.540 -7.850 -8.669 1.00 61.33 N ATOM 567 CA GLY A 35 -2.184 -7.812 -9.240 1.00 23.31 C ATOM 568 C GLY A 35 -1.355 -6.667 -8.659 1.00 24.12 C ATOM 569 O GLY A 35 -0.150 -6.805 -8.448 1.00 2.44 O ATOM 0 H GLY A 35 -3.555 -8.022 -7.664 1.00 61.33 H new ATOM 0 HA2 GLY A 35 -1.681 -8.759 -9.046 1.00 23.31 H new ATOM 0 HA3 GLY A 35 -2.248 -7.701 -10.322 1.00 23.31 H new ATOM 573 N ASP A 36 -2.025 -5.538 -8.377 1.00 32.05 N ATOM 574 CA ASP A 36 -1.397 -4.305 -7.842 1.00 45.13 C ATOM 575 C ASP A 36 -2.257 -3.683 -6.714 1.00 60.11 C ATOM 576 O ASP A 36 -3.468 -3.930 -6.615 1.00 30.13 O ATOM 577 CB ASP A 36 -1.201 -3.238 -8.961 1.00 33.00 C ATOM 578 CG ASP A 36 -0.355 -3.734 -10.147 1.00 64.13 C ATOM 579 OD1 ASP A 36 0.867 -3.894 -9.985 1.00 43.54 O ATOM 580 OD2 ASP A 36 -0.906 -3.937 -11.255 1.00 71.52 O ATOM 0 H ASP A 36 -3.032 -5.448 -8.514 1.00 32.05 H new ATOM 0 HA ASP A 36 -0.425 -4.596 -7.443 1.00 45.13 H new ATOM 0 HB2 ASP A 36 -2.179 -2.926 -9.329 1.00 33.00 H new ATOM 0 HB3 ASP A 36 -0.726 -2.356 -8.531 1.00 33.00 H new ATOM 585 N ILE A 37 -1.603 -2.870 -5.877 1.00 74.21 N ATOM 586 CA ILE A 37 -2.264 -1.952 -4.923 1.00 55.32 C ATOM 587 C ILE A 37 -1.770 -0.539 -5.240 1.00 74.44 C ATOM 588 O ILE A 37 -0.603 -0.228 -5.002 1.00 61.24 O ATOM 589 CB ILE A 37 -1.989 -2.317 -3.401 1.00 15.12 C ATOM 590 CG1 ILE A 37 -2.680 -3.665 -3.022 1.00 51.14 C ATOM 591 CG2 ILE A 37 -2.434 -1.174 -2.431 1.00 21.34 C ATOM 592 CD1 ILE A 37 -4.195 -3.658 -3.151 1.00 64.32 C ATOM 0 H ILE A 37 -0.585 -2.825 -5.837 1.00 74.21 H new ATOM 0 HA ILE A 37 -3.344 -2.036 -5.044 1.00 55.32 H new ATOM 0 HB ILE A 37 -0.911 -2.434 -3.288 1.00 15.12 H new ATOM 0 HG12 ILE A 37 -2.278 -4.455 -3.656 1.00 51.14 H new ATOM 0 HG13 ILE A 37 -2.417 -3.917 -1.995 1.00 51.14 H new ATOM 0 HG21 ILE A 37 -2.227 -1.469 -1.402 1.00 21.34 H new ATOM 0 HG22 ILE A 37 -1.884 -0.263 -2.666 1.00 21.34 H new ATOM 0 HG23 ILE A 37 -3.502 -0.993 -2.548 1.00 21.34 H new ATOM 0 HD11 ILE A 37 -4.589 -4.634 -2.868 1.00 64.32 H new ATOM 0 HD12 ILE A 37 -4.612 -2.894 -2.495 1.00 64.32 H new ATOM 0 HD13 ILE A 37 -4.471 -3.441 -4.183 1.00 64.32 H new ATOM 604 N LYS A 38 -2.653 0.292 -5.816 1.00 23.34 N ATOM 605 CA LYS A 38 -2.327 1.675 -6.201 1.00 52.25 C ATOM 606 C LYS A 38 -2.719 2.601 -5.050 1.00 14.33 C ATOM 607 O LYS A 38 -3.907 2.785 -4.769 1.00 54.01 O ATOM 608 CB LYS A 38 -3.071 2.061 -7.500 1.00 11.52 C ATOM 609 CG LYS A 38 -2.821 1.093 -8.668 1.00 30.50 C ATOM 610 CD LYS A 38 -3.662 1.436 -9.917 1.00 72.11 C ATOM 611 CE LYS A 38 -3.465 0.421 -11.050 1.00 4.22 C ATOM 612 NZ LYS A 38 -4.267 0.752 -12.254 1.00 1.55 N ATOM 0 H LYS A 38 -3.614 0.024 -6.028 1.00 23.34 H new ATOM 0 HA LYS A 38 -1.259 1.768 -6.395 1.00 52.25 H new ATOM 0 HB2 LYS A 38 -4.141 2.102 -7.297 1.00 11.52 H new ATOM 0 HB3 LYS A 38 -2.765 3.064 -7.799 1.00 11.52 H new ATOM 0 HG2 LYS A 38 -1.763 1.113 -8.931 1.00 30.50 H new ATOM 0 HG3 LYS A 38 -3.051 0.077 -8.348 1.00 30.50 H new ATOM 0 HD2 LYS A 38 -4.717 1.471 -9.643 1.00 72.11 H new ATOM 0 HD3 LYS A 38 -3.391 2.430 -10.272 1.00 72.11 H new ATOM 0 HE2 LYS A 38 -2.410 0.382 -11.320 1.00 4.22 H new ATOM 0 HE3 LYS A 38 -3.740 -0.572 -10.696 1.00 4.22 H new ATOM 0 HZ1 LYS A 38 -4.099 0.037 -12.990 1.00 1.55 H new ATOM 0 HZ2 LYS A 38 -5.277 0.763 -12.006 1.00 1.55 H new ATOM 0 HZ3 LYS A 38 -3.988 1.688 -12.611 1.00 1.55 H new ATOM 626 N LEU A 39 -1.721 3.154 -4.367 1.00 71.41 N ATOM 627 CA LEU A 39 -1.922 3.957 -3.164 1.00 2.02 C ATOM 628 C LEU A 39 -1.561 5.417 -3.444 1.00 15.32 C ATOM 629 O LEU A 39 -0.532 5.701 -4.064 1.00 22.30 O ATOM 630 CB LEU A 39 -1.075 3.376 -2.006 1.00 21.43 C ATOM 631 CG LEU A 39 -1.161 4.126 -0.637 1.00 2.21 C ATOM 632 CD1 LEU A 39 -2.622 4.324 -0.174 1.00 0.01 C ATOM 633 CD2 LEU A 39 -0.327 3.395 0.429 1.00 42.23 C ATOM 0 H LEU A 39 -0.742 3.057 -4.635 1.00 71.41 H new ATOM 0 HA LEU A 39 -2.971 3.924 -2.869 1.00 2.02 H new ATOM 0 HB2 LEU A 39 -1.377 2.341 -1.848 1.00 21.43 H new ATOM 0 HB3 LEU A 39 -0.032 3.359 -2.321 1.00 21.43 H new ATOM 0 HG LEU A 39 -0.741 5.122 -0.778 1.00 2.21 H new ATOM 0 HD11 LEU A 39 -2.633 4.849 0.781 1.00 0.01 H new ATOM 0 HD12 LEU A 39 -3.163 4.910 -0.917 1.00 0.01 H new ATOM 0 HD13 LEU A 39 -3.102 3.352 -0.059 1.00 0.01 H new ATOM 0 HD21 LEU A 39 -0.398 3.930 1.376 1.00 42.23 H new ATOM 0 HD22 LEU A 39 -0.707 2.381 0.556 1.00 42.23 H new ATOM 0 HD23 LEU A 39 0.715 3.355 0.112 1.00 42.23 H new ATOM 645 N ASP A 40 -2.431 6.325 -2.982 1.00 25.13 N ATOM 646 CA ASP A 40 -2.244 7.771 -3.106 1.00 12.31 C ATOM 647 C ASP A 40 -1.760 8.306 -1.759 1.00 43.42 C ATOM 648 O ASP A 40 -2.526 8.376 -0.782 1.00 62.34 O ATOM 649 CB ASP A 40 -3.568 8.456 -3.548 1.00 70.42 C ATOM 650 CG ASP A 40 -3.559 10.000 -3.435 1.00 75.30 C ATOM 651 OD1 ASP A 40 -2.701 10.656 -4.072 1.00 53.20 O ATOM 652 OD2 ASP A 40 -4.421 10.565 -2.717 1.00 40.34 O ATOM 0 H ASP A 40 -3.296 6.069 -2.505 1.00 25.13 H new ATOM 0 HA ASP A 40 -1.500 7.993 -3.871 1.00 12.31 H new ATOM 0 HB2 ASP A 40 -3.777 8.181 -4.582 1.00 70.42 H new ATOM 0 HB3 ASP A 40 -4.385 8.064 -2.942 1.00 70.42 H new ATOM 657 N ALA A 41 -0.463 8.616 -1.716 1.00 73.31 N ATOM 658 CA ALA A 41 0.171 9.306 -0.603 1.00 65.31 C ATOM 659 C ALA A 41 0.026 10.798 -0.845 1.00 41.01 C ATOM 660 O ALA A 41 0.246 11.262 -1.970 1.00 34.23 O ATOM 661 CB ALA A 41 1.651 8.908 -0.500 1.00 63.34 C ATOM 0 H ALA A 41 0.184 8.388 -2.471 1.00 73.31 H new ATOM 0 HA ALA A 41 -0.304 9.032 0.339 1.00 65.31 H new ATOM 0 HB1 ALA A 41 2.111 9.432 0.337 1.00 63.34 H new ATOM 0 HB2 ALA A 41 1.728 7.832 -0.341 1.00 63.34 H new ATOM 0 HB3 ALA A 41 2.165 9.176 -1.423 1.00 63.34 H new ATOM 667 N GLN A 42 -0.353 11.543 0.193 1.00 10.05 N ATOM 668 CA GLN A 42 -0.640 12.977 0.065 1.00 4.42 C ATOM 669 C GLN A 42 0.676 13.768 -0.041 1.00 60.45 C ATOM 670 O GLN A 42 0.791 14.693 -0.850 1.00 4.15 O ATOM 671 CB GLN A 42 -1.515 13.453 1.259 1.00 2.42 C ATOM 672 CG GLN A 42 -2.748 12.554 1.531 1.00 11.24 C ATOM 673 CD GLN A 42 -3.696 12.435 0.334 1.00 15.25 C ATOM 674 OE1 GLN A 42 -3.867 13.378 -0.440 1.00 0.23 O ATOM 675 NE2 GLN A 42 -4.295 11.270 0.160 1.00 65.35 N ATOM 0 H GLN A 42 -0.470 11.177 1.138 1.00 10.05 H new ATOM 0 HA GLN A 42 -1.207 13.159 -0.848 1.00 4.42 H new ATOM 0 HB2 GLN A 42 -0.898 13.489 2.157 1.00 2.42 H new ATOM 0 HB3 GLN A 42 -1.855 14.470 1.065 1.00 2.42 H new ATOM 0 HG2 GLN A 42 -2.406 11.558 1.813 1.00 11.24 H new ATOM 0 HG3 GLN A 42 -3.299 12.955 2.382 1.00 11.24 H new ATOM 0 HE21 GLN A 42 -4.132 10.509 0.819 1.00 65.35 H new ATOM 0 HE22 GLN A 42 -4.920 11.132 -0.634 1.00 65.35 H new ATOM 684 N THR A 43 1.679 13.358 0.747 1.00 13.33 N ATOM 685 CA THR A 43 3.025 13.953 0.705 1.00 53.05 C ATOM 686 C THR A 43 4.099 12.842 0.640 1.00 52.52 C ATOM 687 O THR A 43 3.783 11.647 0.752 1.00 31.51 O ATOM 688 CB THR A 43 3.248 14.915 1.920 1.00 72.32 C ATOM 689 OG1 THR A 43 4.473 15.650 1.760 1.00 12.43 O ATOM 690 CG2 THR A 43 3.275 14.170 3.261 1.00 0.34 C ATOM 0 H THR A 43 1.583 12.607 1.430 1.00 13.33 H new ATOM 0 HA THR A 43 3.117 14.555 -0.199 1.00 53.05 H new ATOM 0 HB THR A 43 2.401 15.601 1.935 1.00 72.32 H new ATOM 0 HG1 THR A 43 4.598 16.248 2.526 1.00 12.43 H new ATOM 0 HG21 THR A 43 3.432 14.883 4.070 1.00 0.34 H new ATOM 0 HG22 THR A 43 2.326 13.655 3.410 1.00 0.34 H new ATOM 0 HG23 THR A 43 4.086 13.442 3.256 1.00 0.34 H new ATOM 698 N GLU A 44 5.369 13.259 0.485 1.00 23.31 N ATOM 699 CA GLU A 44 6.480 12.377 0.085 1.00 5.33 C ATOM 700 C GLU A 44 6.929 11.464 1.241 1.00 72.24 C ATOM 701 O GLU A 44 6.978 10.239 1.087 1.00 44.50 O ATOM 702 CB GLU A 44 7.678 13.234 -0.438 1.00 73.44 C ATOM 703 CG GLU A 44 7.292 14.385 -1.405 1.00 23.14 C ATOM 704 CD GLU A 44 6.421 13.935 -2.597 1.00 64.44 C ATOM 705 OE1 GLU A 44 6.970 13.368 -3.568 1.00 44.34 O ATOM 706 OE2 GLU A 44 5.181 14.147 -2.573 1.00 31.11 O ATOM 0 H GLU A 44 5.655 14.226 0.635 1.00 23.31 H new ATOM 0 HA GLU A 44 6.125 11.730 -0.718 1.00 5.33 H new ATOM 0 HB2 GLU A 44 8.201 13.660 0.418 1.00 73.44 H new ATOM 0 HB3 GLU A 44 8.382 12.575 -0.946 1.00 73.44 H new ATOM 0 HG2 GLU A 44 6.757 15.152 -0.846 1.00 23.14 H new ATOM 0 HG3 GLU A 44 8.203 14.846 -1.787 1.00 23.14 H new ATOM 713 N LYS A 45 7.240 12.075 2.397 1.00 42.20 N ATOM 714 CA LYS A 45 7.748 11.358 3.590 1.00 3.30 C ATOM 715 C LYS A 45 6.665 10.473 4.233 1.00 2.54 C ATOM 716 O LYS A 45 6.968 9.610 5.064 1.00 43.12 O ATOM 717 CB LYS A 45 8.351 12.350 4.614 1.00 43.10 C ATOM 718 CG LYS A 45 9.525 13.186 4.051 1.00 62.31 C ATOM 719 CD LYS A 45 10.195 14.089 5.110 1.00 2.10 C ATOM 720 CE LYS A 45 10.904 13.288 6.218 1.00 44.44 C ATOM 721 NZ LYS A 45 11.928 12.348 5.670 1.00 53.13 N ATOM 0 H LYS A 45 7.148 13.081 2.536 1.00 42.20 H new ATOM 0 HA LYS A 45 8.544 10.692 3.258 1.00 3.30 H new ATOM 0 HB2 LYS A 45 7.567 13.025 4.958 1.00 43.10 H new ATOM 0 HB3 LYS A 45 8.697 11.794 5.485 1.00 43.10 H new ATOM 0 HG2 LYS A 45 10.273 12.513 3.632 1.00 62.31 H new ATOM 0 HG3 LYS A 45 9.160 13.807 3.233 1.00 62.31 H new ATOM 0 HD2 LYS A 45 10.919 14.740 4.620 1.00 2.10 H new ATOM 0 HD3 LYS A 45 9.440 14.733 5.561 1.00 2.10 H new ATOM 0 HE2 LYS A 45 11.382 13.978 6.913 1.00 44.44 H new ATOM 0 HE3 LYS A 45 10.164 12.725 6.787 1.00 44.44 H new ATOM 0 HZ1 LYS A 45 12.516 11.983 6.447 1.00 53.13 H new ATOM 0 HZ2 LYS A 45 11.452 11.555 5.194 1.00 53.13 H new ATOM 0 HZ3 LYS A 45 12.530 12.850 4.987 1.00 53.13 H new ATOM 735 N GLU A 46 5.403 10.680 3.824 1.00 71.02 N ATOM 736 CA GLU A 46 4.268 9.895 4.308 1.00 73.05 C ATOM 737 C GLU A 46 4.207 8.569 3.529 1.00 54.42 C ATOM 738 O GLU A 46 3.855 7.531 4.093 1.00 64.41 O ATOM 739 CB GLU A 46 2.977 10.715 4.135 1.00 40.43 C ATOM 740 CG GLU A 46 1.682 10.003 4.550 1.00 63.13 C ATOM 741 CD GLU A 46 0.466 10.937 4.462 1.00 55.33 C ATOM 742 OE1 GLU A 46 -0.034 11.176 3.339 1.00 44.31 O ATOM 743 OE2 GLU A 46 0.046 11.473 5.509 1.00 61.23 O ATOM 0 H GLU A 46 5.146 11.399 3.147 1.00 71.02 H new ATOM 0 HA GLU A 46 4.382 9.663 5.367 1.00 73.05 H new ATOM 0 HB2 GLU A 46 3.069 11.632 4.716 1.00 40.43 H new ATOM 0 HB3 GLU A 46 2.891 11.008 3.089 1.00 40.43 H new ATOM 0 HG2 GLU A 46 1.522 9.136 3.909 1.00 63.13 H new ATOM 0 HG3 GLU A 46 1.782 9.631 5.570 1.00 63.13 H new ATOM 750 N ALA A 47 4.595 8.625 2.234 1.00 13.42 N ATOM 751 CA ALA A 47 4.685 7.444 1.346 1.00 34.32 C ATOM 752 C ALA A 47 5.672 6.399 1.893 1.00 4.11 C ATOM 753 O ALA A 47 5.467 5.196 1.720 1.00 21.11 O ATOM 754 CB ALA A 47 5.110 7.877 -0.062 1.00 25.44 C ATOM 0 H ALA A 47 4.856 9.497 1.773 1.00 13.42 H new ATOM 0 HA ALA A 47 3.698 6.983 1.303 1.00 34.32 H new ATOM 0 HB1 ALA A 47 5.174 7.002 -0.708 1.00 25.44 H new ATOM 0 HB2 ALA A 47 4.375 8.574 -0.466 1.00 25.44 H new ATOM 0 HB3 ALA A 47 6.084 8.364 -0.014 1.00 25.44 H new ATOM 760 N GLU A 48 6.732 6.899 2.549 1.00 1.21 N ATOM 761 CA GLU A 48 7.775 6.068 3.175 1.00 23.42 C ATOM 762 C GLU A 48 7.176 5.221 4.309 1.00 53.53 C ATOM 763 O GLU A 48 7.509 4.042 4.465 1.00 1.31 O ATOM 764 CB GLU A 48 8.910 6.965 3.739 1.00 71.05 C ATOM 765 CG GLU A 48 9.461 8.012 2.746 1.00 52.04 C ATOM 766 CD GLU A 48 10.099 7.404 1.485 1.00 21.01 C ATOM 767 OE1 GLU A 48 11.268 6.968 1.553 1.00 74.14 O ATOM 768 OE2 GLU A 48 9.448 7.382 0.417 1.00 45.43 O ATOM 0 H GLU A 48 6.891 7.900 2.661 1.00 1.21 H new ATOM 0 HA GLU A 48 8.187 5.404 2.415 1.00 23.42 H new ATOM 0 HB2 GLU A 48 8.539 7.483 4.623 1.00 71.05 H new ATOM 0 HB3 GLU A 48 9.731 6.326 4.065 1.00 71.05 H new ATOM 0 HG2 GLU A 48 8.650 8.676 2.446 1.00 52.04 H new ATOM 0 HG3 GLU A 48 10.203 8.626 3.256 1.00 52.04 H new ATOM 775 N LYS A 49 6.285 5.851 5.088 1.00 71.02 N ATOM 776 CA LYS A 49 5.637 5.225 6.256 1.00 75.53 C ATOM 777 C LYS A 49 4.578 4.202 5.776 1.00 41.42 C ATOM 778 O LYS A 49 4.478 3.094 6.302 1.00 43.53 O ATOM 779 CB LYS A 49 4.967 6.327 7.120 1.00 43.33 C ATOM 780 CG LYS A 49 5.884 7.515 7.480 1.00 40.14 C ATOM 781 CD LYS A 49 5.133 8.665 8.199 1.00 14.42 C ATOM 782 CE LYS A 49 6.042 9.875 8.494 1.00 51.34 C ATOM 783 NZ LYS A 49 5.300 10.996 9.131 1.00 23.20 N ATOM 0 H LYS A 49 5.990 6.814 4.927 1.00 71.02 H new ATOM 0 HA LYS A 49 6.382 4.703 6.857 1.00 75.53 H new ATOM 0 HB2 LYS A 49 4.096 6.707 6.587 1.00 43.33 H new ATOM 0 HB3 LYS A 49 4.603 5.874 8.043 1.00 43.33 H new ATOM 0 HG2 LYS A 49 6.693 7.161 8.119 1.00 40.14 H new ATOM 0 HG3 LYS A 49 6.343 7.901 6.570 1.00 40.14 H new ATOM 0 HD2 LYS A 49 4.294 8.988 7.582 1.00 14.42 H new ATOM 0 HD3 LYS A 49 4.716 8.292 9.134 1.00 14.42 H new ATOM 0 HE2 LYS A 49 6.857 9.564 9.148 1.00 51.34 H new ATOM 0 HE3 LYS A 49 6.494 10.223 7.565 1.00 51.34 H new ATOM 0 HZ1 LYS A 49 5.952 11.786 9.310 1.00 23.20 H new ATOM 0 HZ2 LYS A 49 4.538 11.312 8.498 1.00 23.20 H new ATOM 0 HZ3 LYS A 49 4.890 10.674 10.031 1.00 23.20 H new ATOM 797 N MET A 50 3.744 4.675 4.840 1.00 72.21 N ATOM 798 CA MET A 50 2.765 3.850 4.090 1.00 54.24 C ATOM 799 C MET A 50 3.370 2.511 3.610 1.00 54.44 C ATOM 800 O MET A 50 2.942 1.442 4.052 1.00 35.02 O ATOM 801 CB MET A 50 2.164 4.641 2.900 1.00 2.34 C ATOM 802 CG MET A 50 1.223 5.780 3.306 1.00 2.12 C ATOM 803 SD MET A 50 0.510 6.612 1.877 1.00 21.45 S ATOM 804 CE MET A 50 -0.592 7.776 2.668 1.00 55.51 C ATOM 0 H MET A 50 3.724 5.659 4.572 1.00 72.21 H new ATOM 0 HA MET A 50 1.961 3.607 4.784 1.00 54.24 H new ATOM 0 HB2 MET A 50 2.979 5.054 2.306 1.00 2.34 H new ATOM 0 HB3 MET A 50 1.620 3.949 2.257 1.00 2.34 H new ATOM 0 HG2 MET A 50 0.423 5.383 3.930 1.00 2.12 H new ATOM 0 HG3 MET A 50 1.770 6.503 3.911 1.00 2.12 H new ATOM 0 HE1 MET A 50 -1.524 7.835 2.105 1.00 55.51 H new ATOM 0 HE2 MET A 50 -0.802 7.444 3.685 1.00 55.51 H new ATOM 0 HE3 MET A 50 -0.123 8.759 2.697 1.00 55.51 H new ATOM 814 N GLU A 51 4.413 2.587 2.761 1.00 12.13 N ATOM 815 CA GLU A 51 5.061 1.389 2.188 1.00 64.32 C ATOM 816 C GLU A 51 5.795 0.558 3.262 1.00 51.25 C ATOM 817 O GLU A 51 6.011 -0.644 3.077 1.00 62.12 O ATOM 818 CB GLU A 51 6.040 1.768 1.056 1.00 21.04 C ATOM 819 CG GLU A 51 7.308 2.526 1.493 1.00 54.21 C ATOM 820 CD GLU A 51 8.330 2.669 0.361 1.00 32.13 C ATOM 821 OE1 GLU A 51 7.969 3.183 -0.708 1.00 34.31 O ATOM 822 OE2 GLU A 51 9.499 2.253 0.527 1.00 34.31 O ATOM 0 H GLU A 51 4.827 3.468 2.455 1.00 12.13 H new ATOM 0 HA GLU A 51 4.263 0.774 1.772 1.00 64.32 H new ATOM 0 HB2 GLU A 51 6.344 0.855 0.543 1.00 21.04 H new ATOM 0 HB3 GLU A 51 5.506 2.380 0.329 1.00 21.04 H new ATOM 0 HG2 GLU A 51 7.029 3.516 1.852 1.00 54.21 H new ATOM 0 HG3 GLU A 51 7.770 2.002 2.330 1.00 54.21 H new ATOM 829 N LYS A 52 6.196 1.219 4.370 1.00 65.42 N ATOM 830 CA LYS A 52 6.821 0.562 5.530 1.00 64.21 C ATOM 831 C LYS A 52 5.816 -0.415 6.176 1.00 50.21 C ATOM 832 O LYS A 52 6.171 -1.555 6.492 1.00 62.24 O ATOM 833 CB LYS A 52 7.288 1.639 6.544 1.00 71.34 C ATOM 834 CG LYS A 52 8.050 1.126 7.782 1.00 34.33 C ATOM 835 CD LYS A 52 8.498 2.287 8.708 1.00 61.23 C ATOM 836 CE LYS A 52 9.249 1.796 9.957 1.00 3.45 C ATOM 837 NZ LYS A 52 10.476 1.026 9.610 1.00 33.14 N ATOM 0 H LYS A 52 6.093 2.228 4.481 1.00 65.42 H new ATOM 0 HA LYS A 52 7.693 -0.009 5.210 1.00 64.21 H new ATOM 0 HB2 LYS A 52 7.927 2.349 6.019 1.00 71.34 H new ATOM 0 HB3 LYS A 52 6.412 2.190 6.886 1.00 71.34 H new ATOM 0 HG2 LYS A 52 7.414 0.440 8.342 1.00 34.33 H new ATOM 0 HG3 LYS A 52 8.924 0.560 7.461 1.00 34.33 H new ATOM 0 HD2 LYS A 52 9.140 2.966 8.147 1.00 61.23 H new ATOM 0 HD3 LYS A 52 7.622 2.858 9.017 1.00 61.23 H new ATOM 0 HE2 LYS A 52 9.522 2.652 10.575 1.00 3.45 H new ATOM 0 HE3 LYS A 52 8.586 1.170 10.555 1.00 3.45 H new ATOM 0 HZ1 LYS A 52 11.012 0.817 10.477 1.00 33.14 H new ATOM 0 HZ2 LYS A 52 10.207 0.135 9.146 1.00 33.14 H new ATOM 0 HZ3 LYS A 52 11.067 1.587 8.964 1.00 33.14 H new ATOM 851 N ALA A 53 4.555 0.052 6.325 1.00 62.33 N ATOM 852 CA ALA A 53 3.443 -0.745 6.896 1.00 24.45 C ATOM 853 C ALA A 53 3.090 -1.943 5.990 1.00 55.51 C ATOM 854 O ALA A 53 2.671 -2.996 6.480 1.00 25.13 O ATOM 855 CB ALA A 53 2.212 0.153 7.130 1.00 52.31 C ATOM 0 H ALA A 53 4.279 0.995 6.052 1.00 62.33 H new ATOM 0 HA ALA A 53 3.767 -1.147 7.856 1.00 24.45 H new ATOM 0 HB1 ALA A 53 1.401 -0.443 7.550 1.00 52.31 H new ATOM 0 HB2 ALA A 53 2.471 0.952 7.824 1.00 52.31 H new ATOM 0 HB3 ALA A 53 1.891 0.585 6.182 1.00 52.31 H new ATOM 861 N VAL A 54 3.252 -1.752 4.666 1.00 2.12 N ATOM 862 CA VAL A 54 3.091 -2.819 3.656 1.00 51.15 C ATOM 863 C VAL A 54 4.154 -3.920 3.866 1.00 51.33 C ATOM 864 O VAL A 54 3.844 -5.118 3.886 1.00 34.21 O ATOM 865 CB VAL A 54 3.213 -2.236 2.194 1.00 62.34 C ATOM 866 CG1 VAL A 54 2.994 -3.328 1.123 1.00 31.11 C ATOM 867 CG2 VAL A 54 2.241 -1.049 1.989 1.00 14.32 C ATOM 0 H VAL A 54 3.500 -0.848 4.264 1.00 2.12 H new ATOM 0 HA VAL A 54 2.097 -3.249 3.777 1.00 51.15 H new ATOM 0 HB VAL A 54 4.231 -1.865 2.073 1.00 62.34 H new ATOM 0 HG11 VAL A 54 3.086 -2.888 0.130 1.00 31.11 H new ATOM 0 HG12 VAL A 54 3.743 -4.111 1.243 1.00 31.11 H new ATOM 0 HG13 VAL A 54 1.999 -3.757 1.239 1.00 31.11 H new ATOM 0 HG21 VAL A 54 2.344 -0.665 0.974 1.00 14.32 H new ATOM 0 HG22 VAL A 54 1.217 -1.386 2.147 1.00 14.32 H new ATOM 0 HG23 VAL A 54 2.477 -0.259 2.702 1.00 14.32 H new ATOM 877 N LYS A 55 5.418 -3.474 4.017 1.00 40.00 N ATOM 878 CA LYS A 55 6.592 -4.357 4.217 1.00 60.41 C ATOM 879 C LYS A 55 6.559 -5.090 5.582 1.00 14.24 C ATOM 880 O LYS A 55 7.302 -6.056 5.780 1.00 73.25 O ATOM 881 CB LYS A 55 7.905 -3.545 4.064 1.00 33.05 C ATOM 882 CG LYS A 55 8.155 -2.985 2.642 1.00 12.10 C ATOM 883 CD LYS A 55 9.402 -2.069 2.581 1.00 2.02 C ATOM 884 CE LYS A 55 9.672 -1.486 1.180 1.00 1.33 C ATOM 885 NZ LYS A 55 9.972 -2.544 0.173 1.00 72.24 N ATOM 0 H LYS A 55 5.658 -2.483 4.004 1.00 40.00 H new ATOM 0 HA LYS A 55 6.552 -5.126 3.446 1.00 60.41 H new ATOM 0 HB2 LYS A 55 7.887 -2.714 4.769 1.00 33.05 H new ATOM 0 HB3 LYS A 55 8.745 -4.182 4.342 1.00 33.05 H new ATOM 0 HG2 LYS A 55 8.281 -3.813 1.945 1.00 12.10 H new ATOM 0 HG3 LYS A 55 7.279 -2.424 2.316 1.00 12.10 H new ATOM 0 HD2 LYS A 55 9.275 -1.249 3.288 1.00 2.02 H new ATOM 0 HD3 LYS A 55 10.275 -2.636 2.904 1.00 2.02 H new ATOM 0 HE2 LYS A 55 8.804 -0.914 0.854 1.00 1.33 H new ATOM 0 HE3 LYS A 55 10.510 -0.791 1.234 1.00 1.33 H new ATOM 0 HZ1 LYS A 55 10.421 -2.113 -0.660 1.00 72.24 H new ATOM 0 HZ2 LYS A 55 10.616 -3.246 0.589 1.00 72.24 H new ATOM 0 HZ3 LYS A 55 9.088 -3.012 -0.113 1.00 72.24 H new ATOM 899 N LYS A 56 5.711 -4.613 6.516 1.00 2.34 N ATOM 900 CA LYS A 56 5.463 -5.297 7.802 1.00 31.20 C ATOM 901 C LYS A 56 4.599 -6.558 7.577 1.00 53.04 C ATOM 902 O LYS A 56 4.830 -7.604 8.202 1.00 62.03 O ATOM 903 CB LYS A 56 4.781 -4.331 8.820 1.00 63.25 C ATOM 904 CG LYS A 56 5.622 -3.088 9.260 1.00 12.12 C ATOM 905 CD LYS A 56 6.748 -3.380 10.302 1.00 52.34 C ATOM 906 CE LYS A 56 8.024 -4.018 9.713 1.00 43.15 C ATOM 907 NZ LYS A 56 9.029 -4.314 10.769 1.00 31.21 N ATOM 0 H LYS A 56 5.182 -3.749 6.402 1.00 2.34 H new ATOM 0 HA LYS A 56 6.421 -5.604 8.222 1.00 31.20 H new ATOM 0 HB2 LYS A 56 3.847 -3.976 8.383 1.00 63.25 H new ATOM 0 HB3 LYS A 56 4.520 -4.901 9.711 1.00 63.25 H new ATOM 0 HG2 LYS A 56 6.076 -2.645 8.374 1.00 12.12 H new ATOM 0 HG3 LYS A 56 4.946 -2.342 9.679 1.00 12.12 H new ATOM 0 HD2 LYS A 56 7.019 -2.446 10.794 1.00 52.34 H new ATOM 0 HD3 LYS A 56 6.349 -4.042 11.071 1.00 52.34 H new ATOM 0 HE2 LYS A 56 7.763 -4.938 9.191 1.00 43.15 H new ATOM 0 HE3 LYS A 56 8.460 -3.345 8.974 1.00 43.15 H new ATOM 0 HZ1 LYS A 56 9.872 -4.742 10.336 1.00 31.21 H new ATOM 0 HZ2 LYS A 56 9.297 -3.432 11.250 1.00 31.21 H new ATOM 0 HZ3 LYS A 56 8.622 -4.976 11.460 1.00 31.21 H new ATOM 921 N VAL A 57 3.617 -6.443 6.660 1.00 41.31 N ATOM 922 CA VAL A 57 2.703 -7.553 6.304 1.00 72.01 C ATOM 923 C VAL A 57 3.414 -8.572 5.381 1.00 2.14 C ATOM 924 O VAL A 57 3.108 -9.766 5.404 1.00 11.25 O ATOM 925 CB VAL A 57 1.396 -7.015 5.604 1.00 5.31 C ATOM 926 CG1 VAL A 57 0.345 -8.138 5.418 1.00 3.42 C ATOM 927 CG2 VAL A 57 0.790 -5.822 6.382 1.00 10.24 C ATOM 0 H VAL A 57 3.434 -5.582 6.145 1.00 41.31 H new ATOM 0 HA VAL A 57 2.416 -8.053 7.229 1.00 72.01 H new ATOM 0 HB VAL A 57 1.685 -6.661 4.614 1.00 5.31 H new ATOM 0 HG11 VAL A 57 -0.542 -7.730 4.933 1.00 3.42 H new ATOM 0 HG12 VAL A 57 0.765 -8.931 4.799 1.00 3.42 H new ATOM 0 HG13 VAL A 57 0.071 -8.545 6.391 1.00 3.42 H new ATOM 0 HG21 VAL A 57 -0.109 -5.475 5.873 1.00 10.24 H new ATOM 0 HG22 VAL A 57 0.535 -6.139 7.393 1.00 10.24 H new ATOM 0 HG23 VAL A 57 1.517 -5.011 6.428 1.00 10.24 H new ATOM 937 N LYS A 58 4.409 -8.086 4.615 1.00 23.54 N ATOM 938 CA LYS A 58 5.151 -8.905 3.632 1.00 14.53 C ATOM 939 C LYS A 58 6.553 -8.285 3.401 1.00 51.23 C ATOM 940 O LYS A 58 6.648 -7.252 2.740 1.00 10.13 O ATOM 941 CB LYS A 58 4.367 -9.119 2.289 1.00 53.01 C ATOM 942 CG LYS A 58 3.569 -7.909 1.739 1.00 10.05 C ATOM 943 CD LYS A 58 3.287 -8.044 0.215 1.00 21.11 C ATOM 944 CE LYS A 58 2.141 -7.156 -0.292 1.00 60.50 C ATOM 945 NZ LYS A 58 0.813 -7.715 0.084 1.00 20.54 N ATOM 0 H LYS A 58 4.722 -7.116 4.658 1.00 23.54 H new ATOM 0 HA LYS A 58 5.269 -9.905 4.048 1.00 14.53 H new ATOM 0 HB2 LYS A 58 5.081 -9.429 1.526 1.00 53.01 H new ATOM 0 HB3 LYS A 58 3.672 -9.947 2.431 1.00 53.01 H new ATOM 0 HG2 LYS A 58 2.625 -7.822 2.277 1.00 10.05 H new ATOM 0 HG3 LYS A 58 4.127 -6.991 1.925 1.00 10.05 H new ATOM 0 HD2 LYS A 58 4.195 -7.796 -0.335 1.00 21.11 H new ATOM 0 HD3 LYS A 58 3.053 -9.085 -0.009 1.00 21.11 H new ATOM 0 HE2 LYS A 58 2.246 -6.153 0.122 1.00 60.50 H new ATOM 0 HE3 LYS A 58 2.204 -7.062 -1.376 1.00 60.50 H new ATOM 0 HZ1 LYS A 58 0.105 -6.953 0.090 1.00 20.54 H new ATOM 0 HZ2 LYS A 58 0.534 -8.442 -0.606 1.00 20.54 H new ATOM 0 HZ3 LYS A 58 0.871 -8.141 1.031 1.00 20.54 H new ATOM 959 N PRO A 59 7.665 -8.897 3.950 1.00 1.11 N ATOM 960 CA PRO A 59 9.047 -8.314 3.877 1.00 30.51 C ATOM 961 C PRO A 59 9.582 -8.128 2.432 1.00 52.23 C ATOM 962 O PRO A 59 10.490 -7.325 2.211 1.00 32.30 O ATOM 963 CB PRO A 59 9.916 -9.326 4.677 1.00 20.21 C ATOM 964 CG PRO A 59 9.124 -10.604 4.664 1.00 43.53 C ATOM 965 CD PRO A 59 7.668 -10.183 4.710 1.00 52.04 C ATOM 0 HA PRO A 59 9.066 -7.302 4.282 1.00 30.51 H new ATOM 0 HB2 PRO A 59 10.893 -9.461 4.214 1.00 20.21 H new ATOM 0 HB3 PRO A 59 10.091 -8.979 5.695 1.00 20.21 H new ATOM 0 HG2 PRO A 59 9.335 -11.187 3.767 1.00 43.53 H new ATOM 0 HG3 PRO A 59 9.378 -11.231 5.519 1.00 43.53 H new ATOM 0 HD2 PRO A 59 7.018 -10.926 4.248 1.00 52.04 H new ATOM 0 HD3 PRO A 59 7.319 -10.047 5.734 1.00 52.04 H new ATOM 973 N ASN A 60 9.009 -8.862 1.461 1.00 71.11 N ATOM 974 CA ASN A 60 9.424 -8.791 0.034 1.00 64.13 C ATOM 975 C ASN A 60 8.395 -8.003 -0.801 1.00 4.35 C ATOM 976 O ASN A 60 8.281 -8.207 -2.021 1.00 25.44 O ATOM 977 CB ASN A 60 9.644 -10.226 -0.546 1.00 11.32 C ATOM 978 CG ASN A 60 10.737 -11.044 0.165 1.00 23.24 C ATOM 979 OD1 ASN A 60 10.655 -12.268 0.234 1.00 14.04 O ATOM 980 ND2 ASN A 60 11.781 -10.398 0.672 1.00 42.32 N ATOM 0 H ASN A 60 8.249 -9.520 1.634 1.00 71.11 H new ATOM 0 HA ASN A 60 10.372 -8.256 -0.021 1.00 64.13 H new ATOM 0 HB2 ASN A 60 8.704 -10.774 -0.490 1.00 11.32 H new ATOM 0 HB3 ASN A 60 9.901 -10.141 -1.602 1.00 11.32 H new ATOM 0 HD21 ASN A 60 12.531 -10.918 1.127 1.00 42.32 H new ATOM 0 HD22 ASN A 60 11.833 -9.381 0.606 1.00 42.32 H new ATOM 987 N ALA A 61 7.658 -7.094 -0.128 1.00 2.04 N ATOM 988 CA ALA A 61 6.757 -6.143 -0.797 1.00 60.50 C ATOM 989 C ALA A 61 7.557 -5.207 -1.713 1.00 3.13 C ATOM 990 O ALA A 61 8.393 -4.423 -1.235 1.00 33.42 O ATOM 991 CB ALA A 61 5.973 -5.331 0.245 1.00 34.43 C ATOM 0 H ALA A 61 7.673 -7.002 0.888 1.00 2.04 H new ATOM 0 HA ALA A 61 6.048 -6.703 -1.407 1.00 60.50 H new ATOM 0 HB1 ALA A 61 5.310 -4.631 -0.263 1.00 34.43 H new ATOM 0 HB2 ALA A 61 5.382 -6.007 0.863 1.00 34.43 H new ATOM 0 HB3 ALA A 61 6.670 -4.778 0.875 1.00 34.43 H new ATOM 997 N THR A 62 7.310 -5.316 -3.025 1.00 21.14 N ATOM 998 CA THR A 62 7.933 -4.447 -4.024 1.00 34.31 C ATOM 999 C THR A 62 7.015 -3.251 -4.286 1.00 2.01 C ATOM 1000 O THR A 62 5.881 -3.415 -4.757 1.00 33.13 O ATOM 1001 CB THR A 62 8.212 -5.213 -5.351 1.00 63.42 C ATOM 1002 OG1 THR A 62 9.036 -6.351 -5.075 1.00 72.23 O ATOM 1003 CG2 THR A 62 8.901 -4.325 -6.416 1.00 22.12 C ATOM 0 H THR A 62 6.674 -6.008 -3.420 1.00 21.14 H new ATOM 0 HA THR A 62 8.892 -4.102 -3.638 1.00 34.31 H new ATOM 0 HB THR A 62 7.250 -5.522 -5.759 1.00 63.42 H new ATOM 0 HG1 THR A 62 9.212 -6.837 -5.908 1.00 72.23 H new ATOM 0 HG21 THR A 62 9.072 -4.908 -7.321 1.00 22.12 H new ATOM 0 HG22 THR A 62 8.261 -3.474 -6.649 1.00 22.12 H new ATOM 0 HG23 THR A 62 9.855 -3.967 -6.029 1.00 22.12 H new ATOM 1011 N ILE A 63 7.520 -2.063 -3.943 1.00 53.03 N ATOM 1012 CA ILE A 63 6.827 -0.792 -4.156 1.00 43.41 C ATOM 1013 C ILE A 63 7.514 -0.061 -5.316 1.00 12.11 C ATOM 1014 O ILE A 63 8.742 0.109 -5.323 1.00 1.05 O ATOM 1015 CB ILE A 63 6.800 0.131 -2.868 1.00 70.42 C ATOM 1016 CG1 ILE A 63 5.917 -0.495 -1.730 1.00 71.53 C ATOM 1017 CG2 ILE A 63 6.306 1.563 -3.209 1.00 65.21 C ATOM 1018 CD1 ILE A 63 6.538 -1.648 -0.966 1.00 73.45 C ATOM 0 H ILE A 63 8.434 -1.957 -3.504 1.00 53.03 H new ATOM 0 HA ILE A 63 5.785 -1.011 -4.389 1.00 43.41 H new ATOM 0 HB ILE A 63 7.825 0.201 -2.503 1.00 70.42 H new ATOM 0 HG12 ILE A 63 5.664 0.292 -1.019 1.00 71.53 H new ATOM 0 HG13 ILE A 63 4.981 -0.839 -2.171 1.00 71.53 H new ATOM 0 HG21 ILE A 63 6.299 2.171 -2.304 1.00 65.21 H new ATOM 0 HG22 ILE A 63 6.974 2.013 -3.943 1.00 65.21 H new ATOM 0 HG23 ILE A 63 5.297 1.512 -3.619 1.00 65.21 H new ATOM 0 HD11 ILE A 63 5.839 -2.000 -0.207 1.00 73.45 H new ATOM 0 HD12 ILE A 63 6.764 -2.461 -1.655 1.00 73.45 H new ATOM 0 HD13 ILE A 63 7.457 -1.313 -0.486 1.00 73.45 H new ATOM 1030 N ARG A 64 6.703 0.340 -6.292 1.00 70.02 N ATOM 1031 CA ARG A 64 7.116 1.105 -7.467 1.00 13.34 C ATOM 1032 C ARG A 64 6.586 2.531 -7.287 1.00 32.35 C ATOM 1033 O ARG A 64 5.384 2.711 -7.089 1.00 21.02 O ATOM 1034 CB ARG A 64 6.524 0.439 -8.736 1.00 24.13 C ATOM 1035 CG ARG A 64 7.005 -1.015 -8.970 1.00 2.41 C ATOM 1036 CD ARG A 64 6.182 -1.750 -10.038 1.00 0.10 C ATOM 1037 NE ARG A 64 6.188 -1.062 -11.344 1.00 75.31 N ATOM 1038 CZ ARG A 64 5.629 -1.536 -12.468 1.00 22.42 C ATOM 1039 NH1 ARG A 64 5.006 -2.716 -12.488 1.00 70.25 N ATOM 1040 NH2 ARG A 64 5.698 -0.830 -13.580 1.00 53.12 N ATOM 0 H ARG A 64 5.704 0.134 -6.287 1.00 70.02 H new ATOM 0 HA ARG A 64 8.200 1.129 -7.578 1.00 13.34 H new ATOM 0 HB2 ARG A 64 5.437 0.443 -8.662 1.00 24.13 H new ATOM 0 HB3 ARG A 64 6.786 1.042 -9.606 1.00 24.13 H new ATOM 0 HG2 ARG A 64 8.053 -1.002 -9.270 1.00 2.41 H new ATOM 0 HG3 ARG A 64 6.949 -1.567 -8.032 1.00 2.41 H new ATOM 0 HD2 ARG A 64 6.576 -2.758 -10.163 1.00 0.10 H new ATOM 0 HD3 ARG A 64 5.154 -1.851 -9.691 1.00 0.10 H new ATOM 0 HE ARG A 64 6.653 -0.156 -11.396 1.00 75.31 H new ATOM 0 HH11 ARG A 64 4.948 -3.277 -11.638 1.00 70.25 H new ATOM 0 HH12 ARG A 64 4.588 -3.057 -13.353 1.00 70.25 H new ATOM 0 HH21 ARG A 64 6.175 0.072 -13.583 1.00 53.12 H new ATOM 0 HH22 ARG A 64 5.275 -1.186 -14.437 1.00 53.12 H new ATOM 1054 N LYS A 65 7.473 3.537 -7.319 1.00 33.53 N ATOM 1055 CA LYS A 65 7.084 4.941 -7.080 1.00 33.22 C ATOM 1056 C LYS A 65 6.935 5.710 -8.394 1.00 31.31 C ATOM 1057 O LYS A 65 7.657 5.466 -9.370 1.00 72.21 O ATOM 1058 CB LYS A 65 8.107 5.678 -6.184 1.00 51.14 C ATOM 1059 CG LYS A 65 8.201 5.165 -4.734 1.00 72.01 C ATOM 1060 CD LYS A 65 9.024 6.126 -3.843 1.00 32.51 C ATOM 1061 CE LYS A 65 9.152 5.639 -2.399 1.00 40.25 C ATOM 1062 NZ LYS A 65 9.932 4.380 -2.292 1.00 64.32 N ATOM 0 H LYS A 65 8.467 3.407 -7.508 1.00 33.53 H new ATOM 0 HA LYS A 65 6.123 4.908 -6.567 1.00 33.22 H new ATOM 0 HB2 LYS A 65 9.092 5.599 -6.645 1.00 51.14 H new ATOM 0 HB3 LYS A 65 7.849 6.737 -6.162 1.00 51.14 H new ATOM 0 HG2 LYS A 65 7.198 5.054 -4.321 1.00 72.01 H new ATOM 0 HG3 LYS A 65 8.661 4.177 -4.726 1.00 72.01 H new ATOM 0 HD2 LYS A 65 10.020 6.246 -4.270 1.00 32.51 H new ATOM 0 HD3 LYS A 65 8.555 7.110 -3.849 1.00 32.51 H new ATOM 0 HE2 LYS A 65 9.632 6.412 -1.799 1.00 40.25 H new ATOM 0 HE3 LYS A 65 8.157 5.483 -1.982 1.00 40.25 H new ATOM 0 HZ1 LYS A 65 9.374 3.669 -1.778 1.00 64.32 H new ATOM 0 HZ2 LYS A 65 10.152 4.026 -3.245 1.00 64.32 H new ATOM 0 HZ3 LYS A 65 10.817 4.563 -1.778 1.00 64.32 H new ATOM 1076 N THR A 66 5.995 6.644 -8.369 1.00 33.34 N ATOM 1077 CA THR A 66 5.792 7.670 -9.392 1.00 55.41 C ATOM 1078 C THR A 66 5.001 8.817 -8.716 1.00 22.52 C ATOM 1079 O THR A 66 4.866 8.827 -7.480 1.00 25.12 O ATOM 1080 CB THR A 66 5.077 7.111 -10.690 1.00 0.01 C ATOM 1081 OG1 THR A 66 5.126 8.085 -11.747 1.00 22.31 O ATOM 1082 CG2 THR A 66 3.611 6.721 -10.447 1.00 64.33 C ATOM 0 H THR A 66 5.323 6.714 -7.605 1.00 33.34 H new ATOM 0 HA THR A 66 6.751 8.035 -9.760 1.00 55.41 H new ATOM 0 HB THR A 66 5.621 6.210 -10.972 1.00 0.01 H new ATOM 0 HG1 THR A 66 4.682 7.726 -12.544 1.00 22.31 H new ATOM 0 HG21 THR A 66 3.176 6.345 -11.373 1.00 64.33 H new ATOM 0 HG22 THR A 66 3.563 5.945 -9.683 1.00 64.33 H new ATOM 0 HG23 THR A 66 3.053 7.595 -10.112 1.00 64.33 H new ATOM 1090 N GLY A 67 4.507 9.783 -9.491 1.00 21.43 N ATOM 1091 CA GLY A 67 3.734 10.896 -8.940 1.00 65.15 C ATOM 1092 C GLY A 67 4.644 12.005 -8.444 1.00 0.33 C ATOM 1093 O GLY A 67 4.901 12.121 -7.241 1.00 30.51 O ATOM 0 H GLY A 67 4.629 9.817 -10.503 1.00 21.43 H new ATOM 0 HA2 GLY A 67 3.062 11.288 -9.703 1.00 65.15 H new ATOM 0 HA3 GLY A 67 3.112 10.539 -8.120 1.00 65.15 H new ATOM 1097 N GLY A 68 5.170 12.789 -9.390 1.00 33.20 N ATOM 1098 CA GLY A 68 6.033 13.928 -9.088 1.00 55.43 C ATOM 1099 C GLY A 68 6.028 14.887 -10.257 1.00 10.45 C ATOM 1100 O GLY A 68 5.636 16.050 -10.121 1.00 44.20 O ATOM 0 H GLY A 68 5.007 12.649 -10.387 1.00 33.20 H new ATOM 0 HA2 GLY A 68 5.684 14.434 -8.187 1.00 55.43 H new ATOM 0 HA3 GLY A 68 7.049 13.586 -8.889 1.00 55.43 H new ATOM 1104 N SER A 69 6.435 14.371 -11.431 1.00 12.20 N ATOM 1105 CA SER A 69 6.308 15.084 -12.702 1.00 4.32 C ATOM 1106 C SER A 69 4.841 14.983 -13.183 1.00 21.24 C ATOM 1107 O SER A 69 4.470 14.072 -13.932 1.00 71.44 O ATOM 1108 CB SER A 69 7.306 14.502 -13.742 1.00 14.43 C ATOM 1109 OG SER A 69 7.249 15.174 -14.990 1.00 45.53 O ATOM 0 H SER A 69 6.860 13.448 -11.519 1.00 12.20 H new ATOM 0 HA SER A 69 6.557 16.138 -12.576 1.00 4.32 H new ATOM 0 HB2 SER A 69 8.319 14.568 -13.344 1.00 14.43 H new ATOM 0 HB3 SER A 69 7.091 13.444 -13.893 1.00 14.43 H new ATOM 0 HG SER A 69 7.895 14.772 -15.608 1.00 45.53 H new ATOM 1115 N LEU A 70 4.011 15.890 -12.647 1.00 75.33 N ATOM 1116 CA LEU A 70 2.586 16.027 -13.005 1.00 75.14 C ATOM 1117 C LEU A 70 2.486 16.749 -14.364 1.00 70.12 C ATOM 1118 O LEU A 70 3.279 17.666 -14.635 1.00 34.02 O ATOM 1119 CB LEU A 70 1.861 16.813 -11.859 1.00 10.05 C ATOM 1120 CG LEU A 70 0.280 16.855 -11.843 1.00 32.35 C ATOM 1121 CD1 LEU A 70 -0.240 17.197 -10.427 1.00 73.20 C ATOM 1122 CD2 LEU A 70 -0.309 17.857 -12.878 1.00 21.21 C ATOM 0 H LEU A 70 4.313 16.561 -11.941 1.00 75.33 H new ATOM 0 HA LEU A 70 2.101 15.056 -13.107 1.00 75.14 H new ATOM 0 HB2 LEU A 70 2.189 16.389 -10.910 1.00 10.05 H new ATOM 0 HB3 LEU A 70 2.218 17.843 -11.889 1.00 10.05 H new ATOM 0 HG LEU A 70 -0.059 15.859 -12.129 1.00 32.35 H new ATOM 0 HD11 LEU A 70 -1.330 17.221 -10.436 1.00 73.20 H new ATOM 0 HD12 LEU A 70 0.100 16.439 -9.721 1.00 73.20 H new ATOM 0 HD13 LEU A 70 0.142 18.172 -10.125 1.00 73.20 H new ATOM 0 HD21 LEU A 70 -1.397 17.842 -12.820 1.00 21.21 H new ATOM 0 HD22 LEU A 70 0.052 18.862 -12.658 1.00 21.21 H new ATOM 0 HD23 LEU A 70 0.005 17.570 -13.882 1.00 21.21 H new ATOM 1134 N GLU A 71 1.526 16.320 -15.209 1.00 22.50 N ATOM 1135 CA GLU A 71 1.307 16.890 -16.559 1.00 24.02 C ATOM 1136 C GLU A 71 0.708 18.310 -16.466 1.00 12.44 C ATOM 1137 O GLU A 71 -0.509 18.505 -16.576 1.00 2.24 O ATOM 1138 CB GLU A 71 0.409 15.960 -17.438 1.00 23.10 C ATOM 1139 CG GLU A 71 1.064 14.630 -17.894 1.00 52.41 C ATOM 1140 CD GLU A 71 1.479 13.708 -16.740 1.00 75.44 C ATOM 1141 OE1 GLU A 71 0.595 13.274 -15.975 1.00 43.35 O ATOM 1142 OE2 GLU A 71 2.693 13.442 -16.568 1.00 72.34 O ATOM 0 H GLU A 71 0.878 15.567 -14.976 1.00 22.50 H new ATOM 0 HA GLU A 71 2.279 16.961 -17.047 1.00 24.02 H new ATOM 0 HB2 GLU A 71 -0.496 15.725 -16.878 1.00 23.10 H new ATOM 0 HB3 GLU A 71 0.101 16.515 -18.324 1.00 23.10 H new ATOM 0 HG2 GLU A 71 0.366 14.096 -18.538 1.00 52.41 H new ATOM 0 HG3 GLU A 71 1.943 14.858 -18.497 1.00 52.41 H new ATOM 1149 N HIS A 72 1.594 19.290 -16.226 1.00 13.01 N ATOM 1150 CA HIS A 72 1.245 20.726 -16.197 1.00 2.02 C ATOM 1151 C HIS A 72 1.169 21.280 -17.634 1.00 51.33 C ATOM 1152 O HIS A 72 0.598 22.352 -17.864 1.00 24.31 O ATOM 1153 CB HIS A 72 2.277 21.530 -15.356 1.00 73.12 C ATOM 1154 CG HIS A 72 3.670 21.582 -15.934 1.00 51.13 C ATOM 1155 ND1 HIS A 72 4.137 22.649 -16.673 1.00 25.34 N ATOM 1156 CD2 HIS A 72 4.697 20.701 -15.874 1.00 55.03 C ATOM 1157 CE1 HIS A 72 5.379 22.419 -17.043 1.00 43.41 C ATOM 1158 NE2 HIS A 72 5.743 21.244 -16.570 1.00 60.42 N ATOM 0 H HIS A 72 2.582 19.110 -16.045 1.00 13.01 H new ATOM 0 HA HIS A 72 0.268 20.835 -15.725 1.00 2.02 H new ATOM 0 HB2 HIS A 72 1.911 22.550 -15.238 1.00 73.12 H new ATOM 0 HB3 HIS A 72 2.330 21.093 -14.359 1.00 73.12 H new ATOM 0 HD2 HIS A 72 4.692 19.746 -15.370 1.00 55.03 H new ATOM 0 HE1 HIS A 72 5.995 23.081 -17.634 1.00 43.41 H new ATOM 0 HE2 HIS A 72 6.656 20.810 -16.701 1.00 60.42 H new ATOM 1167 N HIS A 73 1.801 20.539 -18.579 1.00 3.31 N ATOM 1168 CA HIS A 73 1.732 20.795 -20.026 1.00 34.05 C ATOM 1169 C HIS A 73 0.283 20.547 -20.496 1.00 23.25 C ATOM 1170 O HIS A 73 -0.112 19.398 -20.727 1.00 14.03 O ATOM 1171 CB HIS A 73 2.740 19.863 -20.763 1.00 73.03 C ATOM 1172 CG HIS A 73 2.944 20.156 -22.224 1.00 4.14 C ATOM 1173 ND1 HIS A 73 4.084 20.756 -22.711 1.00 74.34 N ATOM 1174 CD2 HIS A 73 2.173 19.893 -23.307 1.00 40.21 C ATOM 1175 CE1 HIS A 73 4.002 20.852 -24.019 1.00 72.10 C ATOM 1176 NE2 HIS A 73 2.851 20.335 -24.408 1.00 11.35 N ATOM 0 H HIS A 73 2.382 19.734 -18.344 1.00 3.31 H new ATOM 0 HA HIS A 73 2.003 21.826 -20.254 1.00 34.05 H new ATOM 0 HB2 HIS A 73 3.704 19.929 -20.259 1.00 73.03 H new ATOM 0 HB3 HIS A 73 2.397 18.833 -20.661 1.00 73.03 H new ATOM 0 HD2 HIS A 73 1.202 19.421 -23.301 1.00 40.21 H new ATOM 0 HE1 HIS A 73 4.751 21.282 -24.668 1.00 72.10 H new ATOM 0 HE2 HIS A 73 2.522 20.275 -25.372 1.00 11.35 H new ATOM 1185 N HIS A 74 -0.497 21.638 -20.587 1.00 1.13 N ATOM 1186 CA HIS A 74 -1.957 21.594 -20.790 1.00 74.01 C ATOM 1187 C HIS A 74 -2.326 21.092 -22.204 1.00 63.22 C ATOM 1188 O HIS A 74 -1.829 21.613 -23.207 1.00 52.13 O ATOM 1189 CB HIS A 74 -2.565 23.001 -20.522 1.00 51.42 C ATOM 1190 CG HIS A 74 -2.327 23.520 -19.118 1.00 60.13 C ATOM 1191 ND1 HIS A 74 -1.681 24.710 -18.849 1.00 22.33 N ATOM 1192 CD2 HIS A 74 -2.668 23.009 -17.907 1.00 62.34 C ATOM 1193 CE1 HIS A 74 -1.635 24.902 -17.544 1.00 32.31 C ATOM 1194 NE2 HIS A 74 -2.225 23.885 -16.954 1.00 33.55 N ATOM 0 H HIS A 74 -0.128 22.587 -20.521 1.00 1.13 H new ATOM 0 HA HIS A 74 -2.379 20.881 -20.082 1.00 74.01 H new ATOM 0 HB2 HIS A 74 -2.144 23.709 -21.236 1.00 51.42 H new ATOM 0 HB3 HIS A 74 -3.639 22.962 -20.707 1.00 51.42 H new ATOM 0 HD2 HIS A 74 -3.192 22.082 -17.729 1.00 62.34 H new ATOM 0 HE1 HIS A 74 -1.189 25.750 -17.045 1.00 32.31 H new ATOM 0 HE2 HIS A 74 -2.335 23.768 -15.947 1.00 33.55 H new ATOM 1203 N HIS A 75 -3.176 20.051 -22.253 1.00 4.04 N ATOM 1204 CA HIS A 75 -3.758 19.522 -23.504 1.00 71.12 C ATOM 1205 C HIS A 75 -4.949 18.613 -23.166 1.00 13.43 C ATOM 1206 O HIS A 75 -5.023 18.090 -22.045 1.00 43.13 O ATOM 1207 CB HIS A 75 -2.708 18.748 -24.356 1.00 1.54 C ATOM 1208 CG HIS A 75 -2.215 17.443 -23.760 1.00 71.22 C ATOM 1209 ND1 HIS A 75 -2.742 16.209 -24.100 1.00 51.44 N ATOM 1210 CD2 HIS A 75 -1.223 17.187 -22.871 1.00 15.31 C ATOM 1211 CE1 HIS A 75 -2.092 15.262 -23.450 1.00 73.04 C ATOM 1212 NE2 HIS A 75 -1.170 15.830 -22.699 1.00 32.21 N ATOM 0 H HIS A 75 -3.482 19.548 -21.420 1.00 4.04 H new ATOM 0 HA HIS A 75 -4.096 20.366 -24.105 1.00 71.12 H new ATOM 0 HB2 HIS A 75 -3.142 18.539 -25.334 1.00 1.54 H new ATOM 0 HB3 HIS A 75 -1.849 19.399 -24.521 1.00 1.54 H new ATOM 0 HD1 HIS A 75 -3.512 16.056 -24.751 1.00 51.44 H new ATOM 0 HD2 HIS A 75 -0.592 17.918 -22.388 1.00 15.31 H new ATOM 0 HE1 HIS A 75 -2.283 14.201 -23.521 1.00 73.04 H new ATOM 1221 N HIS A 76 -5.874 18.423 -24.136 1.00 4.30 N ATOM 1222 CA HIS A 76 -7.032 17.527 -23.947 1.00 44.02 C ATOM 1223 C HIS A 76 -6.552 16.058 -23.906 1.00 5.21 C ATOM 1224 O HIS A 76 -5.627 15.681 -24.643 1.00 40.13 O ATOM 1225 CB HIS A 76 -8.143 17.749 -25.033 1.00 21.30 C ATOM 1226 CG HIS A 76 -7.839 17.270 -26.441 1.00 14.24 C ATOM 1227 ND1 HIS A 76 -7.441 18.110 -27.457 1.00 55.31 N ATOM 1228 CD2 HIS A 76 -7.947 16.042 -27.005 1.00 50.23 C ATOM 1229 CE1 HIS A 76 -7.306 17.419 -28.572 1.00 41.32 C ATOM 1230 NE2 HIS A 76 -7.612 16.163 -28.325 1.00 33.21 N ATOM 0 H HIS A 76 -5.839 18.876 -25.049 1.00 4.30 H new ATOM 0 HA HIS A 76 -7.498 17.770 -22.992 1.00 44.02 H new ATOM 0 HB2 HIS A 76 -9.051 17.250 -24.695 1.00 21.30 H new ATOM 0 HB3 HIS A 76 -8.363 18.816 -25.079 1.00 21.30 H new ATOM 0 HD2 HIS A 76 -8.244 15.133 -26.503 1.00 50.23 H new ATOM 0 HE1 HIS A 76 -6.996 17.817 -29.527 1.00 41.32 H new ATOM 0 HE2 HIS A 76 -7.601 15.404 -29.007 1.00 33.21 H new ATOM 1239 N HIS A 77 -7.164 15.248 -23.028 1.00 52.12 N ATOM 1240 CA HIS A 77 -6.776 13.845 -22.811 1.00 51.14 C ATOM 1241 C HIS A 77 -8.029 12.998 -22.469 1.00 62.11 C ATOM 1242 O HIS A 77 -8.400 12.114 -23.269 1.00 25.11 O ATOM 1243 CB HIS A 77 -5.660 13.732 -21.717 1.00 2.21 C ATOM 1244 CG HIS A 77 -5.987 14.352 -20.375 1.00 63.10 C ATOM 1245 ND1 HIS A 77 -6.343 13.611 -19.271 1.00 40.22 N ATOM 1246 CD2 HIS A 77 -5.986 15.647 -19.963 1.00 31.33 C ATOM 1247 CE1 HIS A 77 -6.555 14.414 -18.250 1.00 65.41 C ATOM 1248 NE2 HIS A 77 -6.346 15.651 -18.645 1.00 1.23 N ATOM 1249 OXT HIS A 77 -8.669 13.246 -21.425 1.00 38.06 O ATOM 0 H HIS A 77 -7.946 15.549 -22.446 1.00 52.12 H new ATOM 0 HA HIS A 77 -6.348 13.446 -23.730 1.00 51.14 H new ATOM 0 HB2 HIS A 77 -5.434 12.677 -21.563 1.00 2.21 H new ATOM 0 HB3 HIS A 77 -4.753 14.199 -22.101 1.00 2.21 H new ATOM 0 HD2 HIS A 77 -5.746 16.511 -20.565 1.00 31.33 H new ATOM 0 HE1 HIS A 77 -6.850 14.109 -17.257 1.00 65.41 H new ATOM 0 HE2 HIS A 77 -6.438 16.482 -18.060 1.00 1.23 H new TER 1258 HIS A 77