USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 584 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 51 LYS NZ :NH3+ -165:sc= 1 (180deg=0) USER MOD Set 1.2: A 61 TYR OH : rot 30:sc= 0.861 USER MOD Single : A 5 HIS : no HE2:sc= 1.18 K(o=1.2,f=-3.5!) USER MOD Single : A 8 ASN : amide:sc= -1.86! C(o=-1.9!,f=-3.4!) USER MOD Single : A 15 HIS : no HD1:sc= -0.777! C(o=-0.78!,f=-4.9!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN :FLIP amide:sc= -1.35 F(o=-2.3!,f=-1.4) USER MOD Single : A 25 LYS NZ :NH3+ 172:sc= 1.09 (180deg=0.892) USER MOD Single : A 27 SER OG : rot 40:sc= -1.78! USER MOD Single : A 29 LYS NZ :NH3+ -147:sc= 1.82 (180deg=0.0348) USER MOD Single : A 38 LYS NZ :NH3+ -170:sc=-0.00805 (180deg=-0.118) USER MOD Single : A 39 SER OG : rot 77:sc= 0.01 USER MOD Single : A 41 ASN :FLIP amide:sc= -0.223 F(o=-2.1!,f=-0.22) USER MOD Single : A 49 THR OG1 : rot -160:sc= 0.00097 USER MOD Single : A 54 LYS NZ :NH3+ 154:sc= 1.28 (180deg=0.842) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 HIS :FLIP no HD1:sc= -0.679 F(o=-1.6,f=-0.68) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 -8.618 -5.561 -9.924 1.00 62.02 N ATOM 35 CA VAL A 3 -8.277 -5.348 -8.525 1.00 35.52 C ATOM 36 C VAL A 3 -7.387 -6.470 -8.001 1.00 70.10 C ATOM 37 O VAL A 3 -6.517 -6.243 -7.164 1.00 10.41 O ATOM 38 CB VAL A 3 -9.534 -5.196 -7.636 1.00 22.32 C ATOM 39 CG1 VAL A 3 -10.333 -6.488 -7.575 1.00 55.13 C ATOM 40 CG2 VAL A 3 -9.142 -4.730 -6.240 1.00 12.33 C ATOM 0 HA VAL A 3 -7.723 -4.411 -8.474 1.00 35.52 H new ATOM 0 HB VAL A 3 -10.176 -4.439 -8.087 1.00 22.32 H new ATOM 0 HG11 VAL A 3 -11.209 -6.345 -6.942 1.00 55.13 H new ATOM 0 HG12 VAL A 3 -10.653 -6.766 -8.579 1.00 55.13 H new ATOM 0 HG13 VAL A 3 -9.711 -7.281 -7.160 1.00 55.13 H new ATOM 0 HG21 VAL A 3 -10.037 -4.628 -5.626 1.00 12.33 H new ATOM 0 HG22 VAL A 3 -8.473 -5.461 -5.787 1.00 12.33 H new ATOM 0 HG23 VAL A 3 -8.636 -3.767 -6.307 1.00 12.33 H new ATOM 50 N ASP A 4 -7.588 -7.671 -8.527 1.00 10.44 N ATOM 51 CA ASP A 4 -6.773 -8.821 -8.150 1.00 44.53 C ATOM 52 C ASP A 4 -5.305 -8.569 -8.472 1.00 32.12 C ATOM 53 O ASP A 4 -4.418 -8.871 -7.674 1.00 5.20 O ATOM 54 CB ASP A 4 -7.276 -10.073 -8.872 1.00 64.51 C ATOM 55 CG ASP A 4 -6.209 -11.135 -9.031 1.00 35.55 C ATOM 56 OD1 ASP A 4 -6.004 -11.924 -8.086 1.00 31.45 O ATOM 57 OD2 ASP A 4 -5.582 -11.189 -10.114 1.00 44.43 O ATOM 0 H ASP A 4 -8.310 -7.876 -9.218 1.00 10.44 H new ATOM 0 HA ASP A 4 -6.860 -8.976 -7.075 1.00 44.53 H new ATOM 0 HB2 ASP A 4 -8.117 -10.491 -8.319 1.00 64.51 H new ATOM 0 HB3 ASP A 4 -7.650 -9.792 -9.856 1.00 64.51 H new ATOM 62 N HIS A 5 -5.061 -7.982 -9.635 1.00 22.24 N ATOM 63 CA HIS A 5 -3.704 -7.684 -10.067 1.00 33.21 C ATOM 64 C HIS A 5 -3.156 -6.463 -9.336 1.00 61.34 C ATOM 65 O HIS A 5 -1.952 -6.342 -9.134 1.00 0.14 O ATOM 66 CB HIS A 5 -3.655 -7.464 -11.582 1.00 1.13 C ATOM 67 CG HIS A 5 -3.531 -8.730 -12.383 1.00 42.10 C ATOM 68 ND1 HIS A 5 -4.022 -9.954 -11.970 1.00 71.03 N ATOM 69 CD2 HIS A 5 -2.952 -8.953 -13.588 1.00 55.11 C ATOM 70 CE1 HIS A 5 -3.748 -10.867 -12.882 1.00 4.43 C ATOM 71 NE2 HIS A 5 -3.101 -10.286 -13.872 1.00 73.11 N ATOM 0 H HIS A 5 -5.786 -7.703 -10.296 1.00 22.24 H new ATOM 0 HA HIS A 5 -3.077 -8.541 -9.820 1.00 33.21 H new ATOM 0 HB2 HIS A 5 -4.558 -6.938 -11.891 1.00 1.13 H new ATOM 0 HB3 HIS A 5 -2.812 -6.814 -11.817 1.00 1.13 H new ATOM 0 HD1 HIS A 5 -4.519 -10.125 -11.096 1.00 71.03 H new ATOM 0 HD2 HIS A 5 -2.464 -8.217 -14.209 1.00 55.11 H new ATOM 0 HE1 HIS A 5 -4.010 -11.913 -12.827 1.00 4.43 H new ATOM 80 N GLU A 6 -4.045 -5.565 -8.934 1.00 12.35 N ATOM 81 CA GLU A 6 -3.643 -4.363 -8.215 1.00 2.41 C ATOM 82 C GLU A 6 -3.232 -4.690 -6.782 1.00 22.32 C ATOM 83 O GLU A 6 -2.356 -4.038 -6.220 1.00 65.22 O ATOM 84 CB GLU A 6 -4.765 -3.322 -8.242 1.00 62.34 C ATOM 85 CG GLU A 6 -5.102 -2.871 -9.652 1.00 52.14 C ATOM 86 CD GLU A 6 -6.239 -1.876 -9.730 1.00 12.42 C ATOM 87 OE1 GLU A 6 -6.905 -1.628 -8.707 1.00 22.14 O ATOM 88 OE2 GLU A 6 -6.483 -1.350 -10.841 1.00 4.03 O ATOM 0 H GLU A 6 -5.049 -5.646 -9.093 1.00 12.35 H new ATOM 0 HA GLU A 6 -2.773 -3.941 -8.718 1.00 2.41 H new ATOM 0 HB2 GLU A 6 -5.656 -3.740 -7.774 1.00 62.34 H new ATOM 0 HB3 GLU A 6 -4.469 -2.457 -7.648 1.00 62.34 H new ATOM 0 HG2 GLU A 6 -4.214 -2.427 -10.101 1.00 52.14 H new ATOM 0 HG3 GLU A 6 -5.358 -3.746 -10.250 1.00 52.14 H new ATOM 95 N VAL A 7 -3.852 -5.712 -6.199 1.00 41.03 N ATOM 96 CA VAL A 7 -3.506 -6.139 -4.844 1.00 41.24 C ATOM 97 C VAL A 7 -2.058 -6.634 -4.774 1.00 52.41 C ATOM 98 O VAL A 7 -1.294 -6.210 -3.905 1.00 31.30 O ATOM 99 CB VAL A 7 -4.465 -7.233 -4.314 1.00 15.41 C ATOM 100 CG1 VAL A 7 -3.995 -7.763 -2.967 1.00 45.12 C ATOM 101 CG2 VAL A 7 -5.879 -6.686 -4.192 1.00 51.15 C ATOM 0 H VAL A 7 -4.593 -6.258 -6.639 1.00 41.03 H new ATOM 0 HA VAL A 7 -3.612 -5.263 -4.204 1.00 41.24 H new ATOM 0 HB VAL A 7 -4.463 -8.056 -5.028 1.00 15.41 H new ATOM 0 HG11 VAL A 7 -4.686 -8.530 -2.617 1.00 45.12 H new ATOM 0 HG12 VAL A 7 -2.999 -8.193 -3.073 1.00 45.12 H new ATOM 0 HG13 VAL A 7 -3.963 -6.946 -2.246 1.00 45.12 H new ATOM 0 HG21 VAL A 7 -6.540 -7.468 -3.818 1.00 51.15 H new ATOM 0 HG22 VAL A 7 -5.885 -5.844 -3.500 1.00 51.15 H new ATOM 0 HG23 VAL A 7 -6.226 -6.354 -5.170 1.00 51.15 H new ATOM 111 N ASN A 8 -1.670 -7.515 -5.692 1.00 15.23 N ATOM 112 CA ASN A 8 -0.293 -8.004 -5.718 1.00 41.12 C ATOM 113 C ASN A 8 0.640 -6.912 -6.213 1.00 53.23 C ATOM 114 O ASN A 8 1.798 -6.850 -5.814 1.00 23.02 O ATOM 115 CB ASN A 8 -0.140 -9.255 -6.592 1.00 51.33 C ATOM 116 CG ASN A 8 -0.343 -8.995 -8.075 1.00 62.11 C ATOM 117 OD1 ASN A 8 -1.452 -9.115 -8.588 1.00 54.45 O ATOM 118 ND2 ASN A 8 0.730 -8.650 -8.775 1.00 14.51 N ATOM 0 H ASN A 8 -2.277 -7.900 -6.416 1.00 15.23 H new ATOM 0 HA ASN A 8 -0.028 -8.280 -4.698 1.00 41.12 H new ATOM 0 HB2 ASN A 8 0.854 -9.674 -6.439 1.00 51.33 H new ATOM 0 HB3 ASN A 8 -0.857 -10.007 -6.263 1.00 51.33 H new ATOM 0 HD21 ASN A 8 0.651 -8.474 -9.777 1.00 14.51 H new ATOM 0 HD22 ASN A 8 1.634 -8.561 -8.312 1.00 14.51 H new ATOM 125 N LEU A 9 0.129 -6.050 -7.081 1.00 75.51 N ATOM 126 CA LEU A 9 0.898 -4.924 -7.564 1.00 30.15 C ATOM 127 C LEU A 9 1.279 -4.026 -6.393 1.00 14.11 C ATOM 128 O LEU A 9 2.423 -3.589 -6.274 1.00 3.24 O ATOM 129 CB LEU A 9 0.091 -4.136 -8.598 1.00 63.11 C ATOM 130 CG LEU A 9 0.780 -2.896 -9.155 1.00 42.11 C ATOM 131 CD1 LEU A 9 1.993 -3.276 -9.989 1.00 4.03 C ATOM 132 CD2 LEU A 9 -0.200 -2.074 -9.971 1.00 11.34 C ATOM 0 H LEU A 9 -0.815 -6.113 -7.462 1.00 75.51 H new ATOM 0 HA LEU A 9 1.806 -5.290 -8.043 1.00 30.15 H new ATOM 0 HB2 LEU A 9 -0.152 -4.800 -9.428 1.00 63.11 H new ATOM 0 HB3 LEU A 9 -0.853 -3.834 -8.144 1.00 63.11 H new ATOM 0 HG LEU A 9 1.128 -2.290 -8.318 1.00 42.11 H new ATOM 0 HD11 LEU A 9 2.467 -2.373 -10.375 1.00 4.03 H new ATOM 0 HD12 LEU A 9 2.704 -3.822 -9.369 1.00 4.03 H new ATOM 0 HD13 LEU A 9 1.679 -3.905 -10.822 1.00 4.03 H new ATOM 0 HD21 LEU A 9 0.304 -1.191 -10.363 1.00 11.34 H new ATOM 0 HD22 LEU A 9 -0.577 -2.674 -10.799 1.00 11.34 H new ATOM 0 HD23 LEU A 9 -1.032 -1.765 -9.338 1.00 11.34 H new ATOM 144 N LEU A 10 0.310 -3.794 -5.515 1.00 63.32 N ATOM 145 CA LEU A 10 0.511 -2.995 -4.315 1.00 1.13 C ATOM 146 C LEU A 10 1.646 -3.561 -3.468 1.00 12.14 C ATOM 147 O LEU A 10 2.575 -2.843 -3.098 1.00 54.31 O ATOM 148 CB LEU A 10 -0.784 -2.959 -3.499 1.00 12.43 C ATOM 149 CG LEU A 10 -0.734 -2.146 -2.204 1.00 53.10 C ATOM 150 CD1 LEU A 10 -0.518 -0.671 -2.509 1.00 21.41 C ATOM 151 CD2 LEU A 10 -2.011 -2.353 -1.401 1.00 41.31 C ATOM 0 H LEU A 10 -0.638 -4.156 -5.617 1.00 63.32 H new ATOM 0 HA LEU A 10 0.782 -1.982 -4.613 1.00 1.13 H new ATOM 0 HB2 LEU A 10 -1.577 -2.555 -4.129 1.00 12.43 H new ATOM 0 HB3 LEU A 10 -1.064 -3.983 -3.252 1.00 12.43 H new ATOM 0 HG LEU A 10 0.107 -2.494 -1.605 1.00 53.10 H new ATOM 0 HD11 LEU A 10 -0.485 -0.108 -1.576 1.00 21.41 H new ATOM 0 HD12 LEU A 10 0.424 -0.544 -3.043 1.00 21.41 H new ATOM 0 HD13 LEU A 10 -1.338 -0.303 -3.126 1.00 21.41 H new ATOM 0 HD21 LEU A 10 -1.962 -1.769 -0.482 1.00 41.31 H new ATOM 0 HD22 LEU A 10 -2.868 -2.030 -1.991 1.00 41.31 H new ATOM 0 HD23 LEU A 10 -2.118 -3.409 -1.154 1.00 41.31 H new ATOM 163 N VAL A 11 1.581 -4.856 -3.186 1.00 1.01 N ATOM 164 CA VAL A 11 2.583 -5.492 -2.338 1.00 61.42 C ATOM 165 C VAL A 11 3.949 -5.497 -3.024 1.00 23.23 C ATOM 166 O VAL A 11 4.979 -5.410 -2.361 1.00 32.11 O ATOM 167 CB VAL A 11 2.188 -6.936 -1.929 1.00 64.32 C ATOM 168 CG1 VAL A 11 0.741 -6.990 -1.464 1.00 45.11 C ATOM 169 CG2 VAL A 11 2.440 -7.934 -3.047 1.00 44.34 C ATOM 0 H VAL A 11 0.852 -5.482 -3.528 1.00 1.01 H new ATOM 0 HA VAL A 11 2.640 -4.899 -1.425 1.00 61.42 H new ATOM 0 HB VAL A 11 2.827 -7.223 -1.094 1.00 64.32 H new ATOM 0 HG11 VAL A 11 0.487 -8.012 -1.183 1.00 45.11 H new ATOM 0 HG12 VAL A 11 0.611 -6.334 -0.604 1.00 45.11 H new ATOM 0 HG13 VAL A 11 0.087 -6.663 -2.272 1.00 45.11 H new ATOM 0 HG21 VAL A 11 2.149 -8.931 -2.717 1.00 44.34 H new ATOM 0 HG22 VAL A 11 1.853 -7.656 -3.922 1.00 44.34 H new ATOM 0 HG23 VAL A 11 3.499 -7.932 -3.305 1.00 44.34 H new ATOM 179 N GLU A 12 3.960 -5.566 -4.354 1.00 43.12 N ATOM 180 CA GLU A 12 5.215 -5.552 -5.095 1.00 64.13 C ATOM 181 C GLU A 12 5.843 -4.168 -5.071 1.00 12.12 C ATOM 182 O GLU A 12 7.060 -4.040 -4.974 1.00 11.42 O ATOM 183 CB GLU A 12 5.025 -6.022 -6.533 1.00 71.42 C ATOM 184 CG GLU A 12 4.703 -7.502 -6.643 1.00 54.13 C ATOM 185 CD GLU A 12 5.338 -8.140 -7.857 1.00 51.24 C ATOM 186 OE1 GLU A 12 6.515 -8.546 -7.761 1.00 42.41 O ATOM 187 OE2 GLU A 12 4.677 -8.231 -8.914 1.00 14.53 O ATOM 0 H GLU A 12 3.123 -5.631 -4.933 1.00 43.12 H new ATOM 0 HA GLU A 12 5.890 -6.251 -4.601 1.00 64.13 H new ATOM 0 HB2 GLU A 12 4.221 -5.447 -6.993 1.00 71.42 H new ATOM 0 HB3 GLU A 12 5.932 -5.811 -7.100 1.00 71.42 H new ATOM 0 HG2 GLU A 12 5.048 -8.014 -5.745 1.00 54.13 H new ATOM 0 HG3 GLU A 12 3.622 -7.634 -6.690 1.00 54.13 H new ATOM 194 N GLU A 13 5.021 -3.131 -5.138 1.00 60.43 N ATOM 195 CA GLU A 13 5.530 -1.773 -5.008 1.00 23.35 C ATOM 196 C GLU A 13 6.117 -1.576 -3.618 1.00 65.12 C ATOM 197 O GLU A 13 7.140 -0.913 -3.448 1.00 51.32 O ATOM 198 CB GLU A 13 4.439 -0.738 -5.284 1.00 72.21 C ATOM 199 CG GLU A 13 3.895 -0.799 -6.703 1.00 52.43 C ATOM 200 CD GLU A 13 4.990 -0.976 -7.740 1.00 33.31 C ATOM 201 OE1 GLU A 13 6.016 -0.266 -7.667 1.00 63.04 O ATOM 202 OE2 GLU A 13 4.836 -1.834 -8.629 1.00 10.04 O ATOM 0 H GLU A 13 4.013 -3.201 -5.279 1.00 60.43 H new ATOM 0 HA GLU A 13 6.313 -1.627 -5.752 1.00 23.35 H new ATOM 0 HB2 GLU A 13 3.619 -0.889 -4.582 1.00 72.21 H new ATOM 0 HB3 GLU A 13 4.839 0.259 -5.098 1.00 72.21 H new ATOM 0 HG2 GLU A 13 3.188 -1.625 -6.782 1.00 52.43 H new ATOM 0 HG3 GLU A 13 3.342 0.116 -6.916 1.00 52.43 H new ATOM 209 N ILE A 14 5.477 -2.187 -2.627 1.00 41.10 N ATOM 210 CA ILE A 14 5.996 -2.198 -1.268 1.00 10.23 C ATOM 211 C ILE A 14 7.298 -3.003 -1.206 1.00 2.34 C ATOM 212 O ILE A 14 8.192 -2.694 -0.429 1.00 53.34 O ATOM 213 CB ILE A 14 4.963 -2.761 -0.264 1.00 73.34 C ATOM 214 CG1 ILE A 14 3.675 -1.935 -0.329 1.00 62.30 C ATOM 215 CG2 ILE A 14 5.528 -2.745 1.152 1.00 61.34 C ATOM 216 CD1 ILE A 14 2.557 -2.469 0.536 1.00 31.02 C ATOM 0 H ILE A 14 4.593 -2.683 -2.743 1.00 41.10 H new ATOM 0 HA ILE A 14 6.200 -1.166 -0.982 1.00 10.23 H new ATOM 0 HB ILE A 14 4.740 -3.794 -0.532 1.00 73.34 H new ATOM 0 HG12 ILE A 14 3.897 -0.911 -0.027 1.00 62.30 H new ATOM 0 HG13 ILE A 14 3.333 -1.895 -1.363 1.00 62.30 H new ATOM 0 HG21 ILE A 14 4.787 -3.145 1.844 1.00 61.34 H new ATOM 0 HG22 ILE A 14 6.429 -3.358 1.191 1.00 61.34 H new ATOM 0 HG23 ILE A 14 5.773 -1.721 1.434 1.00 61.34 H new ATOM 0 HD11 ILE A 14 1.681 -1.829 0.434 1.00 31.02 H new ATOM 0 HD12 ILE A 14 2.305 -3.482 0.221 1.00 31.02 H new ATOM 0 HD13 ILE A 14 2.878 -2.482 1.578 1.00 31.02 H new ATOM 228 N HIS A 15 7.404 -4.037 -2.035 1.00 71.23 N ATOM 229 CA HIS A 15 8.649 -4.803 -2.150 1.00 13.12 C ATOM 230 C HIS A 15 9.805 -3.895 -2.581 1.00 64.44 C ATOM 231 O HIS A 15 10.946 -4.079 -2.156 1.00 31.22 O ATOM 232 CB HIS A 15 8.512 -5.954 -3.158 1.00 44.33 C ATOM 233 CG HIS A 15 7.782 -7.166 -2.651 1.00 75.44 C ATOM 234 ND1 HIS A 15 7.800 -8.376 -3.310 1.00 75.14 N ATOM 235 CD2 HIS A 15 7.017 -7.359 -1.549 1.00 64.45 C ATOM 236 CE1 HIS A 15 7.081 -9.253 -2.639 1.00 63.15 C ATOM 237 NE2 HIS A 15 6.594 -8.664 -1.564 1.00 1.14 N ATOM 0 H HIS A 15 6.649 -4.366 -2.636 1.00 71.23 H new ATOM 0 HA HIS A 15 8.859 -5.222 -1.166 1.00 13.12 H new ATOM 0 HB2 HIS A 15 7.995 -5.582 -4.042 1.00 44.33 H new ATOM 0 HB3 HIS A 15 9.509 -6.257 -3.476 1.00 44.33 H new ATOM 0 HD2 HIS A 15 6.783 -6.620 -0.797 1.00 64.45 H new ATOM 0 HE1 HIS A 15 6.918 -10.282 -2.922 1.00 63.15 H new ATOM 0 HE2 HIS A 15 6.001 -9.105 -0.861 1.00 1.14 H new ATOM 246 N ARG A 16 9.507 -2.916 -3.431 1.00 51.44 N ATOM 247 CA ARG A 16 10.533 -2.002 -3.922 1.00 21.44 C ATOM 248 C ARG A 16 10.742 -0.814 -2.982 1.00 72.30 C ATOM 249 O ARG A 16 11.874 -0.497 -2.616 1.00 54.33 O ATOM 250 CB ARG A 16 10.198 -1.491 -5.332 1.00 14.52 C ATOM 251 CG ARG A 16 10.517 -2.475 -6.448 1.00 41.11 C ATOM 252 CD ARG A 16 9.308 -3.303 -6.858 1.00 15.35 C ATOM 253 NE ARG A 16 8.345 -2.533 -7.648 1.00 42.41 N ATOM 254 CZ ARG A 16 8.355 -2.476 -8.982 1.00 54.12 C ATOM 255 NH1 ARG A 16 9.303 -3.107 -9.669 1.00 10.13 N ATOM 256 NH2 ARG A 16 7.417 -1.794 -9.625 1.00 61.20 N ATOM 0 H ARG A 16 8.570 -2.736 -3.792 1.00 51.44 H new ATOM 0 HA ARG A 16 11.461 -2.573 -3.962 1.00 21.44 H new ATOM 0 HB2 ARG A 16 9.137 -1.244 -5.374 1.00 14.52 H new ATOM 0 HB3 ARG A 16 10.747 -0.567 -5.511 1.00 14.52 H new ATOM 0 HG2 ARG A 16 10.890 -1.929 -7.314 1.00 41.11 H new ATOM 0 HG3 ARG A 16 11.316 -3.141 -6.123 1.00 41.11 H new ATOM 0 HD2 ARG A 16 9.641 -4.165 -7.436 1.00 15.35 H new ATOM 0 HD3 ARG A 16 8.816 -3.688 -5.965 1.00 15.35 H new ATOM 0 HE ARG A 16 7.625 -2.010 -7.150 1.00 42.41 H new ATOM 0 HH11 ARG A 16 10.024 -3.635 -9.177 1.00 10.13 H new ATOM 0 HH12 ARG A 16 9.310 -3.063 -10.688 1.00 10.13 H new ATOM 0 HH21 ARG A 16 6.687 -1.312 -9.101 1.00 61.20 H new ATOM 0 HH22 ARG A 16 7.426 -1.751 -10.644 1.00 61.20 H new ATOM 270 N LEU A 17 9.656 -0.175 -2.577 1.00 23.25 N ATOM 271 CA LEU A 17 9.742 1.077 -1.822 1.00 53.24 C ATOM 272 C LEU A 17 9.684 0.846 -0.313 1.00 4.34 C ATOM 273 O LEU A 17 9.804 1.787 0.470 1.00 64.33 O ATOM 274 CB LEU A 17 8.605 2.016 -2.233 1.00 31.24 C ATOM 275 CG LEU A 17 8.532 2.349 -3.724 1.00 42.01 C ATOM 276 CD1 LEU A 17 7.360 3.279 -4.004 1.00 51.05 C ATOM 277 CD2 LEU A 17 9.836 2.976 -4.200 1.00 31.04 C ATOM 0 H LEU A 17 8.705 -0.497 -2.755 1.00 23.25 H new ATOM 0 HA LEU A 17 10.706 1.528 -2.056 1.00 53.24 H new ATOM 0 HB2 LEU A 17 7.659 1.566 -1.932 1.00 31.24 H new ATOM 0 HB3 LEU A 17 8.707 2.947 -1.675 1.00 31.24 H new ATOM 0 HG LEU A 17 8.378 1.421 -4.275 1.00 42.01 H new ATOM 0 HD11 LEU A 17 7.322 3.506 -5.069 1.00 51.05 H new ATOM 0 HD12 LEU A 17 6.431 2.794 -3.703 1.00 51.05 H new ATOM 0 HD13 LEU A 17 7.486 4.203 -3.440 1.00 51.05 H new ATOM 0 HD21 LEU A 17 9.763 3.205 -5.263 1.00 31.04 H new ATOM 0 HD22 LEU A 17 10.023 3.894 -3.643 1.00 31.04 H new ATOM 0 HD23 LEU A 17 10.657 2.278 -4.035 1.00 31.04 H new ATOM 289 N GLY A 18 9.505 -0.397 0.092 1.00 61.33 N ATOM 290 CA GLY A 18 9.316 -0.696 1.497 1.00 74.32 C ATOM 291 C GLY A 18 10.614 -0.864 2.255 1.00 72.14 C ATOM 292 O GLY A 18 11.528 -1.554 1.801 1.00 3.45 O ATOM 0 H GLY A 18 9.487 -1.208 -0.526 1.00 61.33 H new ATOM 0 HA2 GLY A 18 8.736 0.105 1.957 1.00 74.32 H new ATOM 0 HA3 GLY A 18 8.728 -1.609 1.591 1.00 74.32 H new ATOM 296 N SER A 19 10.686 -0.230 3.409 1.00 55.44 N ATOM 297 CA SER A 19 11.821 -0.365 4.299 1.00 30.25 C ATOM 298 C SER A 19 11.500 -1.416 5.358 1.00 34.32 C ATOM 299 O SER A 19 10.348 -1.551 5.771 1.00 13.22 O ATOM 300 CB SER A 19 12.135 0.979 4.958 1.00 42.52 C ATOM 301 OG SER A 19 12.270 2.004 3.981 1.00 25.41 O ATOM 0 H SER A 19 9.958 0.394 3.756 1.00 55.44 H new ATOM 0 HA SER A 19 12.697 -0.680 3.732 1.00 30.25 H new ATOM 0 HB2 SER A 19 11.341 1.240 5.657 1.00 42.52 H new ATOM 0 HB3 SER A 19 13.055 0.899 5.536 1.00 42.52 H new ATOM 0 HG SER A 19 12.469 2.855 4.425 1.00 25.41 H new ATOM 307 N LYS A 20 12.503 -2.165 5.782 1.00 35.12 N ATOM 308 CA LYS A 20 12.288 -3.264 6.715 1.00 50.40 C ATOM 309 C LYS A 20 12.117 -2.782 8.148 1.00 61.23 C ATOM 310 O LYS A 20 12.922 -2.003 8.665 1.00 44.12 O ATOM 311 CB LYS A 20 13.448 -4.252 6.655 1.00 53.42 C ATOM 312 CG LYS A 20 13.551 -4.985 5.335 1.00 34.21 C ATOM 313 CD LYS A 20 14.886 -5.697 5.212 1.00 14.22 C ATOM 314 CE LYS A 20 15.067 -6.309 3.832 1.00 60.30 C ATOM 315 NZ LYS A 20 16.494 -6.615 3.550 1.00 3.33 N ATOM 0 H LYS A 20 13.474 -2.035 5.497 1.00 35.12 H new ATOM 0 HA LYS A 20 11.364 -3.755 6.410 1.00 50.40 H new ATOM 0 HB2 LYS A 20 14.380 -3.717 6.838 1.00 53.42 H new ATOM 0 HB3 LYS A 20 13.336 -4.981 7.458 1.00 53.42 H new ATOM 0 HG2 LYS A 20 12.740 -5.708 5.252 1.00 34.21 H new ATOM 0 HG3 LYS A 20 13.434 -4.279 4.513 1.00 34.21 H new ATOM 0 HD2 LYS A 20 15.694 -4.992 5.407 1.00 14.22 H new ATOM 0 HD3 LYS A 20 14.954 -6.478 5.969 1.00 14.22 H new ATOM 0 HE2 LYS A 20 14.477 -7.223 3.759 1.00 60.30 H new ATOM 0 HE3 LYS A 20 14.686 -5.622 3.076 1.00 60.30 H new ATOM 0 HZ1 LYS A 20 16.579 -7.031 2.601 1.00 3.33 H new ATOM 0 HZ2 LYS A 20 17.052 -5.739 3.595 1.00 3.33 H new ATOM 0 HZ3 LYS A 20 16.851 -7.290 4.257 1.00 3.33 H new ATOM 329 N ASN A 21 11.062 -3.264 8.781 1.00 34.41 N ATOM 330 CA ASN A 21 10.854 -3.056 10.209 1.00 43.10 C ATOM 331 C ASN A 21 11.553 -4.162 10.984 1.00 54.13 C ATOM 332 O ASN A 21 12.109 -5.083 10.383 1.00 32.51 O ATOM 333 CB ASN A 21 9.360 -3.051 10.557 1.00 23.33 C ATOM 334 CG ASN A 21 8.619 -1.851 9.993 1.00 32.03 C ATOM 335 OD1 ASN A 21 7.330 -2.017 9.732 1.00 71.42 O flip ATOM 336 ND2 ASN A 21 9.194 -0.782 9.803 1.00 41.30 N flip ATOM 0 H ASN A 21 10.328 -3.807 8.326 1.00 34.41 H new ATOM 0 HA ASN A 21 11.270 -2.086 10.481 1.00 43.10 H new ATOM 0 HB2 ASN A 21 8.902 -3.964 10.177 1.00 23.33 H new ATOM 0 HB3 ASN A 21 9.246 -3.064 11.641 1.00 23.33 H new ATOM 0 HD21 ASN A 21 10.187 -0.692 10.016 1.00 41.30 H new ATOM 0 HD22 ASN A 21 8.678 0.016 9.432 1.00 41.30 H new ATOM 343 N ALA A 22 11.498 -4.098 12.308 1.00 52.43 N ATOM 344 CA ALA A 22 12.139 -5.104 13.154 1.00 73.25 C ATOM 345 C ALA A 22 11.513 -6.483 12.946 1.00 22.33 C ATOM 346 O ALA A 22 12.094 -7.506 13.302 1.00 11.22 O ATOM 347 CB ALA A 22 12.049 -4.694 14.614 1.00 20.32 C ATOM 0 H ALA A 22 11.016 -3.361 12.822 1.00 52.43 H new ATOM 0 HA ALA A 22 13.189 -5.168 12.869 1.00 73.25 H new ATOM 0 HB1 ALA A 22 12.529 -5.450 15.235 1.00 20.32 H new ATOM 0 HB2 ALA A 22 12.551 -3.737 14.755 1.00 20.32 H new ATOM 0 HB3 ALA A 22 11.002 -4.600 14.902 1.00 20.32 H new ATOM 353 N ASP A 23 10.329 -6.493 12.355 1.00 4.24 N ATOM 354 CA ASP A 23 9.615 -7.731 12.060 1.00 65.03 C ATOM 355 C ASP A 23 10.164 -8.411 10.818 1.00 60.15 C ATOM 356 O ASP A 23 9.912 -9.592 10.585 1.00 73.40 O ATOM 357 CB ASP A 23 8.135 -7.443 11.803 1.00 50.45 C ATOM 358 CG ASP A 23 7.340 -7.150 13.053 1.00 11.22 C ATOM 359 OD1 ASP A 23 7.616 -6.132 13.713 1.00 62.25 O ATOM 360 OD2 ASP A 23 6.407 -7.923 13.348 1.00 60.14 O ATOM 0 H ASP A 23 9.835 -5.649 12.066 1.00 4.24 H new ATOM 0 HA ASP A 23 9.744 -8.381 12.925 1.00 65.03 H new ATOM 0 HB2 ASP A 23 8.053 -6.593 11.125 1.00 50.45 H new ATOM 0 HB3 ASP A 23 7.692 -8.300 11.295 1.00 50.45 H new ATOM 365 N GLY A 24 10.914 -7.667 10.018 1.00 4.00 N ATOM 366 CA GLY A 24 11.250 -8.135 8.692 1.00 25.34 C ATOM 367 C GLY A 24 10.148 -7.789 7.714 1.00 40.34 C ATOM 368 O GLY A 24 10.208 -8.132 6.535 1.00 24.41 O ATOM 0 H GLY A 24 11.294 -6.752 10.263 1.00 4.00 H new ATOM 0 HA2 GLY A 24 12.188 -7.684 8.367 1.00 25.34 H new ATOM 0 HA3 GLY A 24 11.404 -9.214 8.709 1.00 25.34 H new ATOM 372 N LYS A 25 9.141 -7.090 8.225 1.00 62.12 N ATOM 373 CA LYS A 25 8.022 -6.639 7.418 1.00 50.51 C ATOM 374 C LYS A 25 8.390 -5.340 6.724 1.00 51.45 C ATOM 375 O LYS A 25 9.216 -4.578 7.227 1.00 14.33 O ATOM 376 CB LYS A 25 6.787 -6.413 8.292 1.00 62.22 C ATOM 377 CG LYS A 25 6.218 -7.677 8.921 1.00 75.41 C ATOM 378 CD LYS A 25 5.015 -7.355 9.799 1.00 43.44 C ATOM 379 CE LYS A 25 4.371 -8.606 10.379 1.00 13.10 C ATOM 380 NZ LYS A 25 5.257 -9.307 11.348 1.00 24.51 N ATOM 0 H LYS A 25 9.081 -6.823 9.207 1.00 62.12 H new ATOM 0 HA LYS A 25 7.794 -7.405 6.677 1.00 50.51 H new ATOM 0 HB2 LYS A 25 7.043 -5.711 9.086 1.00 62.22 H new ATOM 0 HB3 LYS A 25 6.011 -5.942 7.688 1.00 62.22 H new ATOM 0 HG2 LYS A 25 5.925 -8.377 8.138 1.00 75.41 H new ATOM 0 HG3 LYS A 25 6.987 -8.169 9.517 1.00 75.41 H new ATOM 0 HD2 LYS A 25 5.327 -6.699 10.612 1.00 43.44 H new ATOM 0 HD3 LYS A 25 4.277 -6.807 9.213 1.00 43.44 H new ATOM 0 HE2 LYS A 25 3.439 -8.334 10.875 1.00 13.10 H new ATOM 0 HE3 LYS A 25 4.114 -9.288 9.568 1.00 13.10 H new ATOM 0 HZ1 LYS A 25 4.726 -10.071 11.814 1.00 24.51 H new ATOM 0 HZ2 LYS A 25 6.073 -9.710 10.844 1.00 24.51 H new ATOM 0 HZ3 LYS A 25 5.592 -8.631 12.064 1.00 24.51 H new ATOM 394 N LEU A 26 7.777 -5.083 5.584 1.00 41.53 N ATOM 395 CA LEU A 26 8.095 -3.899 4.805 1.00 31.31 C ATOM 396 C LEU A 26 7.102 -2.781 5.092 1.00 32.25 C ATOM 397 O LEU A 26 5.893 -2.968 4.989 1.00 64.21 O ATOM 398 CB LEU A 26 8.098 -4.231 3.311 1.00 3.35 C ATOM 399 CG LEU A 26 9.134 -5.271 2.882 1.00 75.45 C ATOM 400 CD1 LEU A 26 8.963 -5.621 1.414 1.00 13.23 C ATOM 401 CD2 LEU A 26 10.545 -4.765 3.146 1.00 72.30 C ATOM 0 H LEU A 26 7.056 -5.678 5.176 1.00 41.53 H new ATOM 0 HA LEU A 26 9.090 -3.558 5.093 1.00 31.31 H new ATOM 0 HB2 LEU A 26 7.107 -4.590 3.032 1.00 3.35 H new ATOM 0 HB3 LEU A 26 8.273 -3.313 2.750 1.00 3.35 H new ATOM 0 HG LEU A 26 8.976 -6.173 3.473 1.00 75.45 H new ATOM 0 HD11 LEU A 26 9.709 -6.362 1.127 1.00 13.23 H new ATOM 0 HD12 LEU A 26 7.965 -6.028 1.251 1.00 13.23 H new ATOM 0 HD13 LEU A 26 9.092 -4.724 0.809 1.00 13.23 H new ATOM 0 HD21 LEU A 26 11.267 -5.520 2.834 1.00 72.30 H new ATOM 0 HD22 LEU A 26 10.714 -3.847 2.583 1.00 72.30 H new ATOM 0 HD23 LEU A 26 10.667 -4.565 4.211 1.00 72.30 H new ATOM 413 N SER A 27 7.616 -1.632 5.475 1.00 45.23 N ATOM 414 CA SER A 27 6.789 -0.460 5.682 1.00 2.40 C ATOM 415 C SER A 27 7.168 0.602 4.675 1.00 13.53 C ATOM 416 O SER A 27 8.341 0.756 4.338 1.00 22.42 O ATOM 417 CB SER A 27 6.975 0.087 7.094 1.00 12.14 C ATOM 418 OG SER A 27 6.003 1.068 7.405 1.00 52.32 O ATOM 0 H SER A 27 8.610 -1.483 5.651 1.00 45.23 H new ATOM 0 HA SER A 27 5.743 -0.740 5.553 1.00 2.40 H new ATOM 0 HB2 SER A 27 6.911 -0.730 7.813 1.00 12.14 H new ATOM 0 HB3 SER A 27 7.972 0.518 7.189 1.00 12.14 H new ATOM 0 HG SER A 27 5.134 0.794 7.044 1.00 52.32 H new ATOM 424 N VAL A 28 6.193 1.331 4.190 1.00 53.45 N ATOM 425 CA VAL A 28 6.477 2.390 3.256 1.00 4.12 C ATOM 426 C VAL A 28 5.647 3.620 3.584 1.00 32.52 C ATOM 427 O VAL A 28 4.474 3.510 3.927 1.00 12.54 O ATOM 428 CB VAL A 28 6.233 1.942 1.791 1.00 31.01 C ATOM 429 CG1 VAL A 28 4.795 1.484 1.591 1.00 44.21 C ATOM 430 CG2 VAL A 28 6.589 3.055 0.811 1.00 72.11 C ATOM 0 H VAL A 28 5.207 1.212 4.423 1.00 53.45 H new ATOM 0 HA VAL A 28 7.533 2.642 3.350 1.00 4.12 H new ATOM 0 HB VAL A 28 6.887 1.094 1.590 1.00 31.01 H new ATOM 0 HG11 VAL A 28 4.652 1.176 0.555 1.00 44.21 H new ATOM 0 HG12 VAL A 28 4.586 0.643 2.252 1.00 44.21 H new ATOM 0 HG13 VAL A 28 4.116 2.305 1.822 1.00 44.21 H new ATOM 0 HG21 VAL A 28 6.408 2.714 -0.208 1.00 72.11 H new ATOM 0 HG22 VAL A 28 5.973 3.930 1.015 1.00 72.11 H new ATOM 0 HG23 VAL A 28 7.641 3.317 0.925 1.00 72.11 H new ATOM 440 N LYS A 29 6.266 4.788 3.506 1.00 41.14 N ATOM 441 CA LYS A 29 5.562 6.029 3.769 1.00 73.53 C ATOM 442 C LYS A 29 4.477 6.248 2.736 1.00 63.42 C ATOM 443 O LYS A 29 4.692 6.047 1.537 1.00 53.00 O ATOM 444 CB LYS A 29 6.524 7.211 3.767 1.00 50.01 C ATOM 445 CG LYS A 29 7.493 7.208 4.930 1.00 0.25 C ATOM 446 CD LYS A 29 6.790 7.468 6.250 1.00 74.42 C ATOM 447 CE LYS A 29 7.784 7.530 7.396 1.00 45.13 C ATOM 448 NZ LYS A 29 7.124 7.806 8.701 1.00 41.44 N ATOM 0 H LYS A 29 7.250 4.900 3.264 1.00 41.14 H new ATOM 0 HA LYS A 29 5.106 5.955 4.756 1.00 73.53 H new ATOM 0 HB2 LYS A 29 7.089 7.207 2.835 1.00 50.01 H new ATOM 0 HB3 LYS A 29 5.949 8.137 3.787 1.00 50.01 H new ATOM 0 HG2 LYS A 29 8.005 6.247 4.974 1.00 0.25 H new ATOM 0 HG3 LYS A 29 8.257 7.969 4.769 1.00 0.25 H new ATOM 0 HD2 LYS A 29 6.237 8.406 6.193 1.00 74.42 H new ATOM 0 HD3 LYS A 29 6.061 6.680 6.439 1.00 74.42 H new ATOM 0 HE2 LYS A 29 8.324 6.585 7.457 1.00 45.13 H new ATOM 0 HE3 LYS A 29 8.522 8.306 7.193 1.00 45.13 H new ATOM 0 HZ1 LYS A 29 7.761 8.369 9.300 1.00 41.44 H new ATOM 0 HZ2 LYS A 29 6.243 8.335 8.540 1.00 41.44 H new ATOM 0 HZ3 LYS A 29 6.906 6.907 9.177 1.00 41.44 H new ATOM 462 N PHE A 30 3.317 6.650 3.217 1.00 73.15 N ATOM 463 CA PHE A 30 2.181 6.926 2.357 1.00 0.21 C ATOM 464 C PHE A 30 2.556 7.970 1.323 1.00 71.13 C ATOM 465 O PHE A 30 2.157 7.876 0.167 1.00 64.41 O ATOM 466 CB PHE A 30 0.987 7.411 3.182 1.00 53.13 C ATOM 467 CG PHE A 30 -0.253 7.626 2.362 1.00 61.32 C ATOM 468 CD1 PHE A 30 -1.050 6.552 2.004 1.00 23.12 C ATOM 469 CD2 PHE A 30 -0.618 8.896 1.947 1.00 13.20 C ATOM 470 CE1 PHE A 30 -2.189 6.739 1.246 1.00 10.14 C ATOM 471 CE2 PHE A 30 -1.758 9.090 1.189 1.00 65.31 C ATOM 472 CZ PHE A 30 -2.544 8.010 0.838 1.00 30.02 C ATOM 0 H PHE A 30 3.135 6.794 4.210 1.00 73.15 H new ATOM 0 HA PHE A 30 1.899 6.004 1.848 1.00 0.21 H new ATOM 0 HB2 PHE A 30 0.775 6.683 3.965 1.00 53.13 H new ATOM 0 HB3 PHE A 30 1.252 8.344 3.679 1.00 53.13 H new ATOM 0 HD1 PHE A 30 -0.778 5.556 2.321 1.00 23.12 H new ATOM 0 HD2 PHE A 30 -0.006 9.743 2.218 1.00 13.20 H new ATOM 0 HE1 PHE A 30 -2.801 5.893 0.973 1.00 10.14 H new ATOM 0 HE2 PHE A 30 -2.033 10.085 0.872 1.00 65.31 H new ATOM 0 HZ PHE A 30 -3.435 8.159 0.246 1.00 30.02 H new ATOM 482 N GLY A 31 3.336 8.957 1.746 1.00 22.54 N ATOM 483 CA GLY A 31 3.804 9.975 0.833 1.00 41.14 C ATOM 484 C GLY A 31 4.614 9.388 -0.301 1.00 12.04 C ATOM 485 O GLY A 31 4.368 9.687 -1.461 1.00 62.33 O ATOM 0 H GLY A 31 3.652 9.068 2.709 1.00 22.54 H new ATOM 0 HA2 GLY A 31 2.951 10.518 0.426 1.00 41.14 H new ATOM 0 HA3 GLY A 31 4.412 10.698 1.377 1.00 41.14 H new ATOM 489 N VAL A 32 5.556 8.513 0.030 1.00 71.35 N ATOM 490 CA VAL A 32 6.422 7.911 -0.977 1.00 12.01 C ATOM 491 C VAL A 32 5.596 7.090 -1.963 1.00 72.43 C ATOM 492 O VAL A 32 5.754 7.208 -3.179 1.00 64.15 O ATOM 493 CB VAL A 32 7.492 7.004 -0.332 1.00 62.41 C ATOM 494 CG1 VAL A 32 8.427 6.427 -1.386 1.00 74.35 C ATOM 495 CG2 VAL A 32 8.280 7.767 0.721 1.00 40.43 C ATOM 0 H VAL A 32 5.740 8.205 0.985 1.00 71.35 H new ATOM 0 HA VAL A 32 6.925 8.722 -1.503 1.00 12.01 H new ATOM 0 HB VAL A 32 6.979 6.175 0.155 1.00 62.41 H new ATOM 0 HG11 VAL A 32 9.171 5.792 -0.904 1.00 74.35 H new ATOM 0 HG12 VAL A 32 7.852 5.836 -2.098 1.00 74.35 H new ATOM 0 HG13 VAL A 32 8.929 7.240 -1.911 1.00 74.35 H new ATOM 0 HG21 VAL A 32 9.029 7.109 1.163 1.00 40.43 H new ATOM 0 HG22 VAL A 32 8.775 8.620 0.258 1.00 40.43 H new ATOM 0 HG23 VAL A 32 7.602 8.119 1.499 1.00 40.43 H new ATOM 505 N LEU A 33 4.696 6.283 -1.417 1.00 62.01 N ATOM 506 CA LEU A 33 3.840 5.419 -2.218 1.00 64.34 C ATOM 507 C LEU A 33 2.890 6.257 -3.077 1.00 3.03 C ATOM 508 O LEU A 33 2.754 6.026 -4.278 1.00 61.35 O ATOM 509 CB LEU A 33 3.051 4.485 -1.285 1.00 34.12 C ATOM 510 CG LEU A 33 2.590 3.145 -1.883 1.00 21.23 C ATOM 511 CD1 LEU A 33 1.522 3.345 -2.946 1.00 35.15 C ATOM 512 CD2 LEU A 33 3.776 2.382 -2.457 1.00 21.42 C ATOM 0 H LEU A 33 4.539 6.209 -0.412 1.00 62.01 H new ATOM 0 HA LEU A 33 4.455 4.818 -2.888 1.00 64.34 H new ATOM 0 HB2 LEU A 33 3.669 4.274 -0.412 1.00 34.12 H new ATOM 0 HB3 LEU A 33 2.171 5.021 -0.931 1.00 34.12 H new ATOM 0 HG LEU A 33 2.149 2.557 -1.078 1.00 21.23 H new ATOM 0 HD11 LEU A 33 1.221 2.377 -3.346 1.00 35.15 H new ATOM 0 HD12 LEU A 33 0.657 3.840 -2.504 1.00 35.15 H new ATOM 0 HD13 LEU A 33 1.921 3.962 -3.751 1.00 35.15 H new ATOM 0 HD21 LEU A 33 3.432 1.436 -2.876 1.00 21.42 H new ATOM 0 HD22 LEU A 33 4.246 2.976 -3.240 1.00 21.42 H new ATOM 0 HD23 LEU A 33 4.500 2.186 -1.666 1.00 21.42 H new ATOM 524 N PHE A 34 2.266 7.256 -2.462 1.00 2.53 N ATOM 525 CA PHE A 34 1.289 8.091 -3.148 1.00 72.04 C ATOM 526 C PHE A 34 1.953 8.956 -4.214 1.00 42.41 C ATOM 527 O PHE A 34 1.397 9.154 -5.284 1.00 3.24 O ATOM 528 CB PHE A 34 0.538 8.976 -2.148 1.00 4.55 C ATOM 529 CG PHE A 34 -0.524 9.840 -2.774 1.00 40.34 C ATOM 530 CD1 PHE A 34 -1.746 9.301 -3.137 1.00 22.23 C ATOM 531 CD2 PHE A 34 -0.295 11.188 -3.005 1.00 42.43 C ATOM 532 CE1 PHE A 34 -2.723 10.088 -3.718 1.00 54.21 C ATOM 533 CE2 PHE A 34 -1.269 11.982 -3.585 1.00 74.23 C ATOM 534 CZ PHE A 34 -2.483 11.428 -3.944 1.00 64.45 C ATOM 0 H PHE A 34 2.421 7.507 -1.486 1.00 2.53 H new ATOM 0 HA PHE A 34 0.576 7.429 -3.640 1.00 72.04 H new ATOM 0 HB2 PHE A 34 0.077 8.341 -1.391 1.00 4.55 H new ATOM 0 HB3 PHE A 34 1.256 9.615 -1.633 1.00 4.55 H new ATOM 0 HD1 PHE A 34 -1.939 8.252 -2.964 1.00 22.23 H new ATOM 0 HD2 PHE A 34 0.654 11.623 -2.729 1.00 42.43 H new ATOM 0 HE1 PHE A 34 -3.673 9.655 -3.995 1.00 54.21 H new ATOM 0 HE2 PHE A 34 -1.081 13.032 -3.757 1.00 74.23 H new ATOM 0 HZ PHE A 34 -3.244 12.043 -4.401 1.00 64.45 H new ATOM 544 N ARG A 35 3.138 9.471 -3.920 1.00 35.35 N ATOM 545 CA ARG A 35 3.848 10.335 -4.857 1.00 60.34 C ATOM 546 C ARG A 35 4.378 9.537 -6.043 1.00 64.40 C ATOM 547 O ARG A 35 4.521 10.069 -7.145 1.00 50.52 O ATOM 548 CB ARG A 35 4.973 11.088 -4.150 1.00 31.10 C ATOM 549 CG ARG A 35 4.451 12.093 -3.138 1.00 44.20 C ATOM 550 CD ARG A 35 5.561 12.667 -2.277 1.00 43.22 C ATOM 551 NE ARG A 35 5.028 13.465 -1.176 1.00 0.21 N ATOM 552 CZ ARG A 35 5.685 14.460 -0.586 1.00 23.14 C ATOM 553 NH1 ARG A 35 6.898 14.805 -1.007 1.00 43.15 N ATOM 554 NH2 ARG A 35 5.122 15.122 0.414 1.00 1.23 N ATOM 0 H ARG A 35 3.629 9.307 -3.041 1.00 35.35 H new ATOM 0 HA ARG A 35 3.142 11.070 -5.243 1.00 60.34 H new ATOM 0 HB2 ARG A 35 5.624 10.374 -3.646 1.00 31.10 H new ATOM 0 HB3 ARG A 35 5.582 11.606 -4.891 1.00 31.10 H new ATOM 0 HG2 ARG A 35 3.943 12.903 -3.661 1.00 44.20 H new ATOM 0 HG3 ARG A 35 3.710 11.612 -2.500 1.00 44.20 H new ATOM 0 HD2 ARG A 35 6.170 11.856 -1.878 1.00 43.22 H new ATOM 0 HD3 ARG A 35 6.216 13.285 -2.891 1.00 43.22 H new ATOM 0 HE ARG A 35 4.091 13.245 -0.837 1.00 0.21 H new ATOM 0 HH11 ARG A 35 7.329 14.306 -1.785 1.00 43.15 H new ATOM 0 HH12 ARG A 35 7.398 15.569 -0.552 1.00 43.15 H new ATOM 0 HH21 ARG A 35 4.186 14.869 0.731 1.00 1.23 H new ATOM 0 HH22 ARG A 35 5.624 15.885 0.867 1.00 1.23 H new ATOM 568 N ASP A 36 4.682 8.265 -5.818 1.00 22.23 N ATOM 569 CA ASP A 36 5.086 7.388 -6.910 1.00 34.34 C ATOM 570 C ASP A 36 3.888 7.137 -7.825 1.00 41.10 C ATOM 571 O ASP A 36 3.985 7.276 -9.046 1.00 33.20 O ATOM 572 CB ASP A 36 5.642 6.063 -6.381 1.00 65.05 C ATOM 573 CG ASP A 36 6.496 5.343 -7.407 1.00 3.32 C ATOM 574 OD1 ASP A 36 7.719 5.607 -7.457 1.00 52.22 O ATOM 575 OD2 ASP A 36 5.957 4.522 -8.175 1.00 75.21 O ATOM 0 H ASP A 36 4.657 7.821 -4.900 1.00 22.23 H new ATOM 0 HA ASP A 36 5.881 7.875 -7.475 1.00 34.34 H new ATOM 0 HB2 ASP A 36 6.236 6.253 -5.487 1.00 65.05 H new ATOM 0 HB3 ASP A 36 4.815 5.418 -6.084 1.00 65.05 H new ATOM 580 N ASP A 37 2.745 6.810 -7.220 1.00 21.25 N ATOM 581 CA ASP A 37 1.501 6.620 -7.970 1.00 50.13 C ATOM 582 C ASP A 37 1.035 7.936 -8.580 1.00 72.43 C ATOM 583 O ASP A 37 0.429 7.962 -9.637 1.00 11.34 O ATOM 584 CB ASP A 37 0.396 6.040 -7.081 1.00 45.22 C ATOM 585 CG ASP A 37 -0.897 5.810 -7.847 1.00 50.33 C ATOM 586 OD1 ASP A 37 -0.996 4.782 -8.555 1.00 31.24 O ATOM 587 OD2 ASP A 37 -1.810 6.659 -7.752 1.00 32.54 O ATOM 0 H ASP A 37 2.654 6.671 -6.214 1.00 21.25 H new ATOM 0 HA ASP A 37 1.707 5.909 -8.770 1.00 50.13 H new ATOM 0 HB2 ASP A 37 0.735 5.097 -6.652 1.00 45.22 H new ATOM 0 HB3 ASP A 37 0.208 6.719 -6.249 1.00 45.22 H new ATOM 592 N LYS A 38 1.332 9.032 -7.912 1.00 33.24 N ATOM 593 CA LYS A 38 0.996 10.356 -8.403 1.00 11.10 C ATOM 594 C LYS A 38 1.601 10.581 -9.791 1.00 54.20 C ATOM 595 O LYS A 38 1.015 11.256 -10.640 1.00 71.32 O ATOM 596 CB LYS A 38 1.521 11.392 -7.407 1.00 53.45 C ATOM 597 CG LYS A 38 1.077 12.813 -7.673 1.00 33.40 C ATOM 598 CD LYS A 38 1.524 13.737 -6.546 1.00 64.23 C ATOM 599 CE LYS A 38 1.129 15.186 -6.793 1.00 32.04 C ATOM 600 NZ LYS A 38 1.809 15.750 -7.985 1.00 44.04 N ATOM 0 H LYS A 38 1.813 9.032 -7.013 1.00 33.24 H new ATOM 0 HA LYS A 38 -0.086 10.454 -8.495 1.00 11.10 H new ATOM 0 HB2 LYS A 38 1.199 11.108 -6.405 1.00 53.45 H new ATOM 0 HB3 LYS A 38 2.611 11.360 -7.412 1.00 53.45 H new ATOM 0 HG2 LYS A 38 1.493 13.158 -8.620 1.00 33.40 H new ATOM 0 HG3 LYS A 38 -0.008 12.848 -7.770 1.00 33.40 H new ATOM 0 HD2 LYS A 38 1.086 13.399 -5.607 1.00 64.23 H new ATOM 0 HD3 LYS A 38 2.606 13.672 -6.434 1.00 64.23 H new ATOM 0 HE2 LYS A 38 0.049 15.250 -6.927 1.00 32.04 H new ATOM 0 HE3 LYS A 38 1.377 15.784 -5.916 1.00 32.04 H new ATOM 0 HZ1 LYS A 38 1.649 16.777 -8.022 1.00 44.04 H new ATOM 0 HZ2 LYS A 38 2.830 15.561 -7.924 1.00 44.04 H new ATOM 0 HZ3 LYS A 38 1.425 15.308 -8.845 1.00 44.04 H new ATOM 614 N SER A 39 2.774 10.002 -10.013 1.00 70.02 N ATOM 615 CA SER A 39 3.460 10.120 -11.291 1.00 42.52 C ATOM 616 C SER A 39 3.051 9.012 -12.277 1.00 4.42 C ATOM 617 O SER A 39 2.980 9.249 -13.484 1.00 2.35 O ATOM 618 CB SER A 39 4.974 10.101 -11.070 1.00 34.34 C ATOM 619 OG SER A 39 5.365 11.139 -10.180 1.00 23.05 O ATOM 0 H SER A 39 3.272 9.443 -9.320 1.00 70.02 H new ATOM 0 HA SER A 39 3.165 11.070 -11.737 1.00 42.52 H new ATOM 0 HB2 SER A 39 5.275 9.135 -10.665 1.00 34.34 H new ATOM 0 HB3 SER A 39 5.487 10.221 -12.024 1.00 34.34 H new ATOM 0 HG SER A 39 5.140 10.884 -9.261 1.00 23.05 H new ATOM 625 N ALA A 40 2.781 7.809 -11.766 1.00 11.23 N ATOM 626 CA ALA A 40 2.537 6.650 -12.633 1.00 43.11 C ATOM 627 C ALA A 40 1.053 6.316 -12.774 1.00 53.30 C ATOM 628 O ALA A 40 0.605 5.907 -13.846 1.00 54.22 O ATOM 629 CB ALA A 40 3.281 5.434 -12.099 1.00 14.21 C ATOM 0 H ALA A 40 2.726 7.611 -10.767 1.00 11.23 H new ATOM 0 HA ALA A 40 2.906 6.916 -13.624 1.00 43.11 H new ATOM 0 HB1 ALA A 40 3.094 4.579 -12.749 1.00 14.21 H new ATOM 0 HB2 ALA A 40 4.350 5.644 -12.074 1.00 14.21 H new ATOM 0 HB3 ALA A 40 2.932 5.207 -11.092 1.00 14.21 H new ATOM 635 N ASN A 41 0.303 6.525 -11.703 1.00 25.20 N ATOM 636 CA ASN A 41 -1.097 6.109 -11.614 1.00 34.43 C ATOM 637 C ASN A 41 -1.250 4.628 -11.928 1.00 43.10 C ATOM 638 O ASN A 41 -1.842 4.243 -12.939 1.00 32.33 O ATOM 639 CB ASN A 41 -2.006 6.958 -12.509 1.00 42.04 C ATOM 640 CG ASN A 41 -2.385 8.280 -11.864 1.00 25.42 C ATOM 641 OD1 ASN A 41 -2.497 8.293 -10.544 1.00 21.53 O flip ATOM 642 ND2 ASN A 41 -2.585 9.282 -12.552 1.00 32.21 N flip ATOM 0 H ASN A 41 0.647 6.991 -10.863 1.00 25.20 H new ATOM 0 HA ASN A 41 -1.415 6.272 -10.584 1.00 34.43 H new ATOM 0 HB2 ASN A 41 -1.501 7.151 -13.456 1.00 42.04 H new ATOM 0 HB3 ASN A 41 -2.912 6.397 -12.739 1.00 42.04 H new ATOM 0 HD21 ASN A 41 -2.489 9.232 -13.566 1.00 32.21 H new ATOM 0 HD22 ASN A 41 -2.847 10.162 -12.107 1.00 32.21 H new ATOM 649 N LEU A 42 -0.679 3.806 -11.064 1.00 32.22 N ATOM 650 CA LEU A 42 -0.775 2.364 -11.192 1.00 3.51 C ATOM 651 C LEU A 42 -2.098 1.893 -10.616 1.00 63.54 C ATOM 652 O LEU A 42 -2.682 0.910 -11.073 1.00 32.15 O ATOM 653 CB LEU A 42 0.390 1.682 -10.470 1.00 52.21 C ATOM 654 CG LEU A 42 1.781 2.041 -10.999 1.00 3.40 C ATOM 655 CD1 LEU A 42 2.856 1.312 -10.210 1.00 74.53 C ATOM 656 CD2 LEU A 42 1.889 1.718 -12.485 1.00 44.10 C ATOM 0 H LEU A 42 -0.138 4.119 -10.258 1.00 32.22 H new ATOM 0 HA LEU A 42 -0.725 2.096 -12.247 1.00 3.51 H new ATOM 0 HB2 LEU A 42 0.343 1.940 -9.412 1.00 52.21 H new ATOM 0 HB3 LEU A 42 0.259 0.602 -10.541 1.00 52.21 H new ATOM 0 HG LEU A 42 1.932 3.113 -10.872 1.00 3.40 H new ATOM 0 HD11 LEU A 42 3.838 1.579 -10.600 1.00 74.53 H new ATOM 0 HD12 LEU A 42 2.793 1.597 -9.160 1.00 74.53 H new ATOM 0 HD13 LEU A 42 2.709 0.236 -10.303 1.00 74.53 H new ATOM 0 HD21 LEU A 42 2.885 1.980 -12.843 1.00 44.10 H new ATOM 0 HD22 LEU A 42 1.717 0.653 -12.639 1.00 44.10 H new ATOM 0 HD23 LEU A 42 1.143 2.290 -13.037 1.00 44.10 H new ATOM 668 N PHE A 43 -2.567 2.612 -9.607 1.00 72.04 N ATOM 669 CA PHE A 43 -3.813 2.281 -8.947 1.00 50.40 C ATOM 670 C PHE A 43 -4.843 3.376 -9.202 1.00 50.14 C ATOM 671 O PHE A 43 -4.610 4.538 -8.871 1.00 62.21 O ATOM 672 CB PHE A 43 -3.588 2.124 -7.439 1.00 3.12 C ATOM 673 CG PHE A 43 -2.388 1.289 -7.080 1.00 72.44 C ATOM 674 CD1 PHE A 43 -2.456 -0.094 -7.087 1.00 62.11 C ATOM 675 CD2 PHE A 43 -1.189 1.893 -6.732 1.00 13.42 C ATOM 676 CE1 PHE A 43 -1.352 -0.858 -6.756 1.00 15.50 C ATOM 677 CE2 PHE A 43 -0.083 1.133 -6.401 1.00 3.12 C ATOM 678 CZ PHE A 43 -0.165 -0.244 -6.414 1.00 42.51 C ATOM 0 H PHE A 43 -2.096 3.434 -9.228 1.00 72.04 H new ATOM 0 HA PHE A 43 -4.183 1.338 -9.350 1.00 50.40 H new ATOM 0 HB2 PHE A 43 -3.475 3.113 -6.995 1.00 3.12 H new ATOM 0 HB3 PHE A 43 -4.476 1.674 -6.995 1.00 3.12 H new ATOM 0 HD1 PHE A 43 -3.382 -0.582 -7.354 1.00 62.11 H new ATOM 0 HD2 PHE A 43 -1.119 2.971 -6.719 1.00 13.42 H new ATOM 0 HE1 PHE A 43 -1.419 -1.936 -6.765 1.00 15.50 H new ATOM 0 HE2 PHE A 43 0.845 1.617 -6.132 1.00 3.12 H new ATOM 0 HZ PHE A 43 0.698 -0.840 -6.157 1.00 42.51 H new ATOM 688 N GLU A 44 -5.972 3.013 -9.804 1.00 75.22 N ATOM 689 CA GLU A 44 -7.051 3.975 -10.026 1.00 22.30 C ATOM 690 C GLU A 44 -7.611 4.447 -8.692 1.00 63.43 C ATOM 691 O GLU A 44 -7.894 5.632 -8.500 1.00 75.20 O ATOM 692 CB GLU A 44 -8.172 3.362 -10.866 1.00 73.42 C ATOM 693 CG GLU A 44 -7.768 3.023 -12.291 1.00 12.02 C ATOM 694 CD GLU A 44 -8.944 2.545 -13.113 1.00 73.12 C ATOM 695 OE1 GLU A 44 -9.300 1.355 -13.007 1.00 12.51 O ATOM 696 OE2 GLU A 44 -9.525 3.359 -13.861 1.00 51.12 O ATOM 0 H GLU A 44 -6.164 2.071 -10.144 1.00 75.22 H new ATOM 0 HA GLU A 44 -6.638 4.825 -10.570 1.00 22.30 H new ATOM 0 HB2 GLU A 44 -8.525 2.455 -10.375 1.00 73.42 H new ATOM 0 HB3 GLU A 44 -9.012 4.057 -10.894 1.00 73.42 H new ATOM 0 HG2 GLU A 44 -7.329 3.902 -12.763 1.00 12.02 H new ATOM 0 HG3 GLU A 44 -6.998 2.251 -12.276 1.00 12.02 H new ATOM 703 N ALA A 45 -7.763 3.506 -7.775 1.00 43.23 N ATOM 704 CA ALA A 45 -8.223 3.812 -6.437 1.00 64.54 C ATOM 705 C ALA A 45 -7.262 3.220 -5.419 1.00 70.23 C ATOM 706 O ALA A 45 -7.444 2.091 -4.961 1.00 30.01 O ATOM 707 CB ALA A 45 -9.638 3.290 -6.217 1.00 4.45 C ATOM 0 H ALA A 45 -7.572 2.517 -7.938 1.00 43.23 H new ATOM 0 HA ALA A 45 -8.248 4.894 -6.311 1.00 64.54 H new ATOM 0 HB1 ALA A 45 -9.962 3.532 -5.205 1.00 4.45 H new ATOM 0 HB2 ALA A 45 -10.313 3.756 -6.935 1.00 4.45 H new ATOM 0 HB3 ALA A 45 -9.652 2.209 -6.354 1.00 4.45 H new ATOM 713 N LEU A 46 -6.224 3.979 -5.092 1.00 33.22 N ATOM 714 CA LEU A 46 -5.209 3.533 -4.149 1.00 21.22 C ATOM 715 C LEU A 46 -5.838 3.238 -2.796 1.00 22.42 C ATOM 716 O LEU A 46 -5.476 2.268 -2.132 1.00 51.11 O ATOM 717 CB LEU A 46 -4.109 4.590 -4.008 1.00 41.12 C ATOM 718 CG LEU A 46 -2.988 4.251 -3.016 1.00 13.21 C ATOM 719 CD1 LEU A 46 -2.262 2.983 -3.438 1.00 54.44 C ATOM 720 CD2 LEU A 46 -2.013 5.412 -2.903 1.00 32.12 C ATOM 0 H LEU A 46 -6.063 4.913 -5.470 1.00 33.22 H new ATOM 0 HA LEU A 46 -4.760 2.616 -4.530 1.00 21.22 H new ATOM 0 HB2 LEU A 46 -3.664 4.758 -4.989 1.00 41.12 H new ATOM 0 HB3 LEU A 46 -4.569 5.529 -3.702 1.00 41.12 H new ATOM 0 HG LEU A 46 -3.435 4.077 -2.037 1.00 13.21 H new ATOM 0 HD11 LEU A 46 -1.471 2.761 -2.721 1.00 54.44 H new ATOM 0 HD12 LEU A 46 -2.968 2.153 -3.469 1.00 54.44 H new ATOM 0 HD13 LEU A 46 -1.826 3.125 -4.427 1.00 54.44 H new ATOM 0 HD21 LEU A 46 -1.224 5.157 -2.196 1.00 32.12 H new ATOM 0 HD22 LEU A 46 -1.574 5.615 -3.880 1.00 32.12 H new ATOM 0 HD23 LEU A 46 -2.542 6.298 -2.552 1.00 32.12 H new ATOM 732 N VAL A 47 -6.804 4.067 -2.407 1.00 72.04 N ATOM 733 CA VAL A 47 -7.530 3.866 -1.157 1.00 65.32 C ATOM 734 C VAL A 47 -8.289 2.537 -1.186 1.00 2.24 C ATOM 735 O VAL A 47 -8.442 1.872 -0.161 1.00 12.42 O ATOM 736 CB VAL A 47 -8.524 5.021 -0.887 1.00 64.43 C ATOM 737 CG1 VAL A 47 -9.226 4.842 0.453 1.00 41.42 C ATOM 738 CG2 VAL A 47 -7.809 6.360 -0.935 1.00 63.33 C ATOM 0 H VAL A 47 -7.102 4.884 -2.940 1.00 72.04 H new ATOM 0 HA VAL A 47 -6.795 3.848 -0.353 1.00 65.32 H new ATOM 0 HB VAL A 47 -9.282 5.000 -1.670 1.00 64.43 H new ATOM 0 HG11 VAL A 47 -9.918 5.669 0.615 1.00 41.42 H new ATOM 0 HG12 VAL A 47 -9.778 3.902 0.452 1.00 41.42 H new ATOM 0 HG13 VAL A 47 -8.485 4.827 1.253 1.00 41.42 H new ATOM 0 HG21 VAL A 47 -8.523 7.161 -0.743 1.00 63.33 H new ATOM 0 HG22 VAL A 47 -7.026 6.382 -0.177 1.00 63.33 H new ATOM 0 HG23 VAL A 47 -7.364 6.500 -1.920 1.00 63.33 H new ATOM 748 N GLY A 48 -8.744 2.154 -2.373 1.00 73.33 N ATOM 749 CA GLY A 48 -9.442 0.894 -2.541 1.00 72.34 C ATOM 750 C GLY A 48 -8.504 -0.292 -2.474 1.00 52.22 C ATOM 751 O GLY A 48 -8.790 -1.274 -1.790 1.00 53.44 O ATOM 0 H GLY A 48 -8.640 2.699 -3.229 1.00 73.33 H new ATOM 0 HA2 GLY A 48 -10.204 0.797 -1.768 1.00 72.34 H new ATOM 0 HA3 GLY A 48 -9.959 0.892 -3.500 1.00 72.34 H new ATOM 755 N THR A 49 -7.386 -0.203 -3.186 1.00 34.32 N ATOM 756 CA THR A 49 -6.372 -1.247 -3.155 1.00 61.20 C ATOM 757 C THR A 49 -5.845 -1.450 -1.731 1.00 11.13 C ATOM 758 O THR A 49 -5.712 -2.583 -1.260 1.00 45.33 O ATOM 759 CB THR A 49 -5.203 -0.903 -4.096 1.00 33.25 C ATOM 760 OG1 THR A 49 -5.712 -0.430 -5.352 1.00 43.23 O ATOM 761 CG2 THR A 49 -4.320 -2.118 -4.328 1.00 20.24 C ATOM 0 H THR A 49 -7.160 0.585 -3.793 1.00 34.32 H new ATOM 0 HA THR A 49 -6.838 -2.172 -3.495 1.00 61.20 H new ATOM 0 HB THR A 49 -4.603 -0.123 -3.627 1.00 33.25 H new ATOM 0 HG1 THR A 49 -5.018 -0.514 -6.039 1.00 43.23 H new ATOM 0 HG21 THR A 49 -3.501 -1.850 -4.996 1.00 20.24 H new ATOM 0 HG22 THR A 49 -3.915 -2.460 -3.376 1.00 20.24 H new ATOM 0 HG23 THR A 49 -4.910 -2.916 -4.779 1.00 20.24 H new ATOM 769 N LEU A 50 -5.566 -0.343 -1.044 1.00 11.24 N ATOM 770 CA LEU A 50 -5.133 -0.394 0.349 1.00 14.11 C ATOM 771 C LEU A 50 -6.212 -1.025 1.217 1.00 14.12 C ATOM 772 O LEU A 50 -5.919 -1.740 2.172 1.00 34.01 O ATOM 773 CB LEU A 50 -4.823 1.013 0.871 1.00 74.13 C ATOM 774 CG LEU A 50 -3.615 1.708 0.241 1.00 63.30 C ATOM 775 CD1 LEU A 50 -3.496 3.135 0.761 1.00 64.44 C ATOM 776 CD2 LEU A 50 -2.338 0.931 0.528 1.00 65.21 C ATOM 0 H LEU A 50 -5.632 0.599 -1.430 1.00 11.24 H new ATOM 0 HA LEU A 50 -4.228 -1.000 0.398 1.00 14.11 H new ATOM 0 HB2 LEU A 50 -5.701 1.639 0.714 1.00 74.13 H new ATOM 0 HB3 LEU A 50 -4.663 0.953 1.947 1.00 74.13 H new ATOM 0 HG LEU A 50 -3.761 1.740 -0.839 1.00 63.30 H new ATOM 0 HD11 LEU A 50 -2.632 3.618 0.304 1.00 64.44 H new ATOM 0 HD12 LEU A 50 -4.399 3.691 0.507 1.00 64.44 H new ATOM 0 HD13 LEU A 50 -3.372 3.119 1.844 1.00 64.44 H new ATOM 0 HD21 LEU A 50 -1.491 1.442 0.071 1.00 65.21 H new ATOM 0 HD22 LEU A 50 -2.185 0.867 1.605 1.00 65.21 H new ATOM 0 HD23 LEU A 50 -2.422 -0.073 0.113 1.00 65.21 H new ATOM 788 N LYS A 51 -7.462 -0.757 0.871 1.00 62.03 N ATOM 789 CA LYS A 51 -8.594 -1.270 1.623 1.00 11.21 C ATOM 790 C LYS A 51 -8.696 -2.785 1.477 1.00 54.02 C ATOM 791 O LYS A 51 -8.911 -3.501 2.456 1.00 23.12 O ATOM 792 CB LYS A 51 -9.885 -0.610 1.139 1.00 72.31 C ATOM 793 CG LYS A 51 -10.939 -0.478 2.219 1.00 41.54 C ATOM 794 CD LYS A 51 -10.439 0.398 3.353 1.00 41.12 C ATOM 795 CE LYS A 51 -10.292 1.853 2.925 1.00 0.44 C ATOM 796 NZ LYS A 51 -9.670 2.675 3.994 1.00 61.23 N ATOM 0 H LYS A 51 -7.718 -0.183 0.068 1.00 62.03 H new ATOM 0 HA LYS A 51 -8.444 -1.034 2.677 1.00 11.21 H new ATOM 0 HB2 LYS A 51 -9.652 0.380 0.747 1.00 72.31 H new ATOM 0 HB3 LYS A 51 -10.294 -1.192 0.313 1.00 72.31 H new ATOM 0 HG2 LYS A 51 -11.848 -0.050 1.796 1.00 41.54 H new ATOM 0 HG3 LYS A 51 -11.199 -1.465 2.603 1.00 41.54 H new ATOM 0 HD2 LYS A 51 -11.131 0.335 4.193 1.00 41.12 H new ATOM 0 HD3 LYS A 51 -9.477 0.024 3.704 1.00 41.12 H new ATOM 0 HE2 LYS A 51 -9.684 1.908 2.022 1.00 0.44 H new ATOM 0 HE3 LYS A 51 -11.272 2.260 2.675 1.00 0.44 H new ATOM 0 HZ1 LYS A 51 -9.813 3.683 3.784 1.00 61.23 H new ATOM 0 HZ2 LYS A 51 -10.110 2.446 4.908 1.00 61.23 H new ATOM 0 HZ3 LYS A 51 -8.651 2.472 4.040 1.00 61.23 H new ATOM 810 N ALA A 52 -8.534 -3.260 0.246 1.00 54.24 N ATOM 811 CA ALA A 52 -8.596 -4.686 -0.052 1.00 65.53 C ATOM 812 C ALA A 52 -7.539 -5.455 0.729 1.00 21.14 C ATOM 813 O ALA A 52 -7.823 -6.482 1.348 1.00 65.10 O ATOM 814 CB ALA A 52 -8.407 -4.915 -1.544 1.00 34.55 C ATOM 0 H ALA A 52 -8.357 -2.671 -0.568 1.00 54.24 H new ATOM 0 HA ALA A 52 -9.577 -5.053 0.248 1.00 65.53 H new ATOM 0 HB1 ALA A 52 -8.455 -5.983 -1.757 1.00 34.55 H new ATOM 0 HB2 ALA A 52 -9.195 -4.400 -2.094 1.00 34.55 H new ATOM 0 HB3 ALA A 52 -7.436 -4.527 -1.852 1.00 34.55 H new ATOM 820 N ALA A 53 -6.322 -4.942 0.705 1.00 1.10 N ATOM 821 CA ALA A 53 -5.208 -5.606 1.355 1.00 32.10 C ATOM 822 C ALA A 53 -5.271 -5.453 2.872 1.00 11.31 C ATOM 823 O ALA A 53 -4.798 -6.319 3.598 1.00 42.51 O ATOM 824 CB ALA A 53 -3.892 -5.077 0.806 1.00 14.43 C ATOM 0 H ALA A 53 -6.080 -4.066 0.241 1.00 1.10 H new ATOM 0 HA ALA A 53 -5.274 -6.672 1.137 1.00 32.10 H new ATOM 0 HB1 ALA A 53 -3.062 -5.582 1.301 1.00 14.43 H new ATOM 0 HB2 ALA A 53 -3.844 -5.265 -0.267 1.00 14.43 H new ATOM 0 HB3 ALA A 53 -3.826 -4.005 0.990 1.00 14.43 H new ATOM 830 N LYS A 54 -5.863 -4.365 3.351 1.00 54.41 N ATOM 831 CA LYS A 54 -6.036 -4.176 4.790 1.00 52.02 C ATOM 832 C LYS A 54 -7.070 -5.163 5.320 1.00 52.41 C ATOM 833 O LYS A 54 -6.945 -5.681 6.432 1.00 61.14 O ATOM 834 CB LYS A 54 -6.454 -2.735 5.111 1.00 13.42 C ATOM 835 CG LYS A 54 -6.527 -2.443 6.605 1.00 2.40 C ATOM 836 CD LYS A 54 -6.818 -0.976 6.876 1.00 53.44 C ATOM 837 CE LYS A 54 -6.889 -0.682 8.367 1.00 31.20 C ATOM 838 NZ LYS A 54 -7.095 0.767 8.644 1.00 33.10 N ATOM 0 H LYS A 54 -6.228 -3.607 2.774 1.00 54.41 H new ATOM 0 HA LYS A 54 -5.081 -4.362 5.281 1.00 52.02 H new ATOM 0 HB2 LYS A 54 -5.746 -2.048 4.648 1.00 13.42 H new ATOM 0 HB3 LYS A 54 -7.428 -2.539 4.662 1.00 13.42 H new ATOM 0 HG2 LYS A 54 -7.304 -3.058 7.059 1.00 2.40 H new ATOM 0 HG3 LYS A 54 -5.584 -2.721 7.077 1.00 2.40 H new ATOM 0 HD2 LYS A 54 -6.042 -0.361 6.420 1.00 53.44 H new ATOM 0 HD3 LYS A 54 -7.761 -0.699 6.405 1.00 53.44 H new ATOM 0 HE2 LYS A 54 -7.704 -1.255 8.810 1.00 31.20 H new ATOM 0 HE3 LYS A 54 -5.968 -1.015 8.846 1.00 31.20 H new ATOM 0 HZ1 LYS A 54 -7.563 0.881 9.565 1.00 33.10 H new ATOM 0 HZ2 LYS A 54 -6.175 1.251 8.661 1.00 33.10 H new ATOM 0 HZ3 LYS A 54 -7.691 1.182 7.899 1.00 33.10 H new ATOM 852 N ARG A 55 -8.086 -5.432 4.508 1.00 52.14 N ATOM 853 CA ARG A 55 -9.094 -6.420 4.837 1.00 52.21 C ATOM 854 C ARG A 55 -8.480 -7.815 4.913 1.00 34.20 C ATOM 855 O ARG A 55 -8.870 -8.633 5.746 1.00 13.35 O ATOM 856 CB ARG A 55 -10.203 -6.394 3.799 1.00 55.44 C ATOM 857 CG ARG A 55 -11.261 -7.440 4.053 1.00 32.22 C ATOM 858 CD ARG A 55 -12.383 -7.348 3.046 1.00 54.03 C ATOM 859 NE ARG A 55 -13.237 -6.181 3.263 1.00 53.34 N ATOM 860 CZ ARG A 55 -14.168 -5.767 2.400 1.00 52.15 C ATOM 861 NH1 ARG A 55 -14.334 -6.394 1.239 1.00 2.42 N ATOM 862 NH2 ARG A 55 -14.926 -4.720 2.695 1.00 4.21 N ATOM 0 H ARG A 55 -8.230 -4.972 3.609 1.00 52.14 H new ATOM 0 HA ARG A 55 -9.512 -6.176 5.814 1.00 52.21 H new ATOM 0 HB2 ARG A 55 -10.667 -5.408 3.793 1.00 55.44 H new ATOM 0 HB3 ARG A 55 -9.773 -6.550 2.810 1.00 55.44 H new ATOM 0 HG2 ARG A 55 -10.811 -8.432 4.009 1.00 32.22 H new ATOM 0 HG3 ARG A 55 -11.662 -7.316 5.059 1.00 32.22 H new ATOM 0 HD2 ARG A 55 -11.962 -7.304 2.041 1.00 54.03 H new ATOM 0 HD3 ARG A 55 -12.989 -8.252 3.099 1.00 54.03 H new ATOM 0 HE ARG A 55 -13.114 -5.651 4.126 1.00 53.34 H new ATOM 0 HH11 ARG A 55 -13.749 -7.196 1.004 1.00 2.42 H new ATOM 0 HH12 ARG A 55 -15.047 -6.073 0.584 1.00 2.42 H new ATOM 0 HH21 ARG A 55 -14.798 -4.231 3.581 1.00 4.21 H new ATOM 0 HH22 ARG A 55 -15.637 -4.403 2.036 1.00 4.21 H new ATOM 876 N ARG A 56 -7.509 -8.076 4.046 1.00 24.34 N ATOM 877 CA ARG A 56 -6.840 -9.373 4.022 1.00 2.21 C ATOM 878 C ARG A 56 -5.636 -9.402 4.962 1.00 72.32 C ATOM 879 O ARG A 56 -4.875 -10.369 4.974 1.00 3.22 O ATOM 880 CB ARG A 56 -6.408 -9.733 2.601 1.00 63.33 C ATOM 881 CG ARG A 56 -7.566 -10.088 1.681 1.00 74.22 C ATOM 882 CD ARG A 56 -7.077 -10.506 0.302 1.00 24.20 C ATOM 883 NE ARG A 56 -8.179 -10.904 -0.577 1.00 24.13 N ATOM 884 CZ ARG A 56 -8.039 -11.206 -1.870 1.00 71.21 C ATOM 885 NH1 ARG A 56 -6.836 -11.182 -2.439 1.00 33.13 N ATOM 886 NH2 ARG A 56 -9.106 -11.542 -2.584 1.00 20.53 N ATOM 0 H ARG A 56 -7.168 -7.410 3.353 1.00 24.34 H new ATOM 0 HA ARG A 56 -7.557 -10.116 4.371 1.00 2.21 H new ATOM 0 HB2 ARG A 56 -5.860 -8.893 2.174 1.00 63.33 H new ATOM 0 HB3 ARG A 56 -5.718 -10.575 2.643 1.00 63.33 H new ATOM 0 HG2 ARG A 56 -8.147 -10.897 2.122 1.00 74.22 H new ATOM 0 HG3 ARG A 56 -8.233 -9.231 1.587 1.00 74.22 H new ATOM 0 HD2 ARG A 56 -6.531 -9.680 -0.154 1.00 24.20 H new ATOM 0 HD3 ARG A 56 -6.377 -11.335 0.402 1.00 24.20 H new ATOM 0 HE ARG A 56 -9.115 -10.954 -0.175 1.00 24.13 H new ATOM 0 HH11 ARG A 56 -6.016 -10.932 -1.887 1.00 33.13 H new ATOM 0 HH12 ARG A 56 -6.735 -11.414 -3.427 1.00 33.13 H new ATOM 0 HH21 ARG A 56 -10.026 -11.568 -2.145 1.00 20.53 H new ATOM 0 HH22 ARG A 56 -9.006 -11.774 -3.572 1.00 20.53 H new ATOM 900 N LYS A 57 -5.480 -8.337 5.751 1.00 63.43 N ATOM 901 CA LYS A 57 -4.386 -8.209 6.722 1.00 50.41 C ATOM 902 C LYS A 57 -3.030 -8.298 6.034 1.00 52.43 C ATOM 903 O LYS A 57 -2.018 -8.625 6.656 1.00 4.05 O ATOM 904 CB LYS A 57 -4.488 -9.265 7.830 1.00 43.34 C ATOM 905 CG LYS A 57 -5.822 -9.256 8.564 1.00 4.10 C ATOM 906 CD LYS A 57 -6.802 -10.238 7.944 1.00 74.20 C ATOM 907 CE LYS A 57 -8.185 -10.127 8.556 1.00 14.14 C ATOM 908 NZ LYS A 57 -9.102 -11.163 8.017 1.00 21.53 N ATOM 0 H LYS A 57 -6.110 -7.535 5.736 1.00 63.43 H new ATOM 0 HA LYS A 57 -4.479 -7.226 7.183 1.00 50.41 H new ATOM 0 HB2 LYS A 57 -4.330 -10.252 7.395 1.00 43.34 H new ATOM 0 HB3 LYS A 57 -3.686 -9.102 8.550 1.00 43.34 H new ATOM 0 HG2 LYS A 57 -5.664 -9.510 9.612 1.00 4.10 H new ATOM 0 HG3 LYS A 57 -6.246 -8.252 8.540 1.00 4.10 H new ATOM 0 HD2 LYS A 57 -6.865 -10.058 6.871 1.00 74.20 H new ATOM 0 HD3 LYS A 57 -6.429 -11.254 8.075 1.00 74.20 H new ATOM 0 HE2 LYS A 57 -8.114 -10.230 9.639 1.00 14.14 H new ATOM 0 HE3 LYS A 57 -8.595 -9.137 8.356 1.00 14.14 H new ATOM 0 HZ1 LYS A 57 -10.039 -11.059 8.456 1.00 21.53 H new ATOM 0 HZ2 LYS A 57 -9.188 -11.049 6.987 1.00 21.53 H new ATOM 0 HZ3 LYS A 57 -8.722 -12.107 8.230 1.00 21.53 H new ATOM 922 N ILE A 58 -3.029 -7.979 4.750 1.00 64.30 N ATOM 923 CA ILE A 58 -1.816 -7.938 3.961 1.00 61.45 C ATOM 924 C ILE A 58 -1.024 -6.706 4.345 1.00 13.52 C ATOM 925 O ILE A 58 0.189 -6.757 4.512 1.00 2.30 O ATOM 926 CB ILE A 58 -2.138 -7.903 2.455 1.00 52.12 C ATOM 927 CG1 ILE A 58 -2.916 -9.156 2.051 1.00 63.24 C ATOM 928 CG2 ILE A 58 -0.864 -7.773 1.630 1.00 0.31 C ATOM 929 CD1 ILE A 58 -3.447 -9.104 0.638 1.00 2.22 C ATOM 0 H ILE A 58 -3.872 -7.741 4.228 1.00 64.30 H new ATOM 0 HA ILE A 58 -1.233 -8.837 4.160 1.00 61.45 H new ATOM 0 HB ILE A 58 -2.758 -7.029 2.256 1.00 52.12 H new ATOM 0 HG12 ILE A 58 -2.268 -10.026 2.156 1.00 63.24 H new ATOM 0 HG13 ILE A 58 -3.750 -9.295 2.739 1.00 63.24 H new ATOM 0 HG21 ILE A 58 -1.118 -7.750 0.570 1.00 0.31 H new ATOM 0 HG22 ILE A 58 -0.349 -6.851 1.899 1.00 0.31 H new ATOM 0 HG23 ILE A 58 -0.213 -8.624 1.829 1.00 0.31 H new ATOM 0 HD11 ILE A 58 -3.988 -10.024 0.419 1.00 2.22 H new ATOM 0 HD12 ILE A 58 -4.121 -8.253 0.534 1.00 2.22 H new ATOM 0 HD13 ILE A 58 -2.616 -8.997 -0.059 1.00 2.22 H new ATOM 941 N VAL A 59 -1.737 -5.604 4.508 1.00 32.02 N ATOM 942 CA VAL A 59 -1.141 -4.357 4.955 1.00 53.33 C ATOM 943 C VAL A 59 -2.022 -3.725 6.020 1.00 3.35 C ATOM 944 O VAL A 59 -3.203 -4.057 6.136 1.00 51.52 O ATOM 945 CB VAL A 59 -0.953 -3.347 3.797 1.00 13.51 C ATOM 946 CG1 VAL A 59 -0.036 -3.912 2.723 1.00 42.43 C ATOM 947 CG2 VAL A 59 -2.295 -2.949 3.203 1.00 31.32 C ATOM 0 H VAL A 59 -2.741 -5.549 4.335 1.00 32.02 H new ATOM 0 HA VAL A 59 -0.156 -4.595 5.357 1.00 53.33 H new ATOM 0 HB VAL A 59 -0.482 -2.453 4.206 1.00 13.51 H new ATOM 0 HG11 VAL A 59 0.079 -3.182 1.922 1.00 42.43 H new ATOM 0 HG12 VAL A 59 0.940 -4.132 3.156 1.00 42.43 H new ATOM 0 HG13 VAL A 59 -0.468 -4.828 2.320 1.00 42.43 H new ATOM 0 HG21 VAL A 59 -2.137 -2.239 2.391 1.00 31.32 H new ATOM 0 HG22 VAL A 59 -2.799 -3.835 2.817 1.00 31.32 H new ATOM 0 HG23 VAL A 59 -2.912 -2.487 3.974 1.00 31.32 H new ATOM 957 N THR A 60 -1.450 -2.837 6.802 1.00 35.33 N ATOM 958 CA THR A 60 -2.213 -2.086 7.769 1.00 65.41 C ATOM 959 C THR A 60 -1.754 -0.635 7.761 1.00 64.45 C ATOM 960 O THR A 60 -0.585 -0.340 7.493 1.00 2.41 O ATOM 961 CB THR A 60 -2.097 -2.677 9.194 1.00 2.13 C ATOM 962 OG1 THR A 60 -3.110 -2.118 10.045 1.00 32.22 O ATOM 963 CG2 THR A 60 -0.725 -2.411 9.798 1.00 3.13 C ATOM 0 H THR A 60 -0.454 -2.618 6.785 1.00 35.33 H new ATOM 0 HA THR A 60 -3.263 -2.145 7.484 1.00 65.41 H new ATOM 0 HB THR A 60 -2.235 -3.755 9.116 1.00 2.13 H new ATOM 0 HG1 THR A 60 -3.029 -2.500 10.944 1.00 32.22 H new ATOM 0 HG21 THR A 60 -0.679 -2.840 10.799 1.00 3.13 H new ATOM 0 HG22 THR A 60 0.043 -2.866 9.172 1.00 3.13 H new ATOM 0 HG23 THR A 60 -0.555 -1.336 9.856 1.00 3.13 H new ATOM 971 N TYR A 61 -2.680 0.258 8.024 1.00 23.31 N ATOM 972 CA TYR A 61 -2.391 1.675 8.035 1.00 54.35 C ATOM 973 C TYR A 61 -3.457 2.408 8.826 1.00 71.23 C ATOM 974 O TYR A 61 -4.649 2.111 8.695 1.00 72.24 O ATOM 975 CB TYR A 61 -2.301 2.224 6.603 1.00 62.45 C ATOM 976 CG TYR A 61 -3.569 2.068 5.788 1.00 35.03 C ATOM 977 CD1 TYR A 61 -3.915 0.844 5.228 1.00 72.24 C ATOM 978 CD2 TYR A 61 -4.423 3.147 5.580 1.00 2.21 C ATOM 979 CE1 TYR A 61 -5.075 0.697 4.497 1.00 65.15 C ATOM 980 CE2 TYR A 61 -5.586 3.006 4.847 1.00 63.13 C ATOM 981 CZ TYR A 61 -5.906 1.778 4.307 1.00 63.41 C ATOM 982 OH TYR A 61 -7.070 1.627 3.585 1.00 74.03 O ATOM 0 H TYR A 61 -3.650 0.025 8.235 1.00 23.31 H new ATOM 0 HA TYR A 61 -1.425 1.834 8.514 1.00 54.35 H new ATOM 0 HB2 TYR A 61 -2.042 3.282 6.649 1.00 62.45 H new ATOM 0 HB3 TYR A 61 -1.487 1.718 6.084 1.00 62.45 H new ATOM 0 HD1 TYR A 61 -3.264 -0.007 5.368 1.00 72.24 H new ATOM 0 HD2 TYR A 61 -4.173 4.111 5.998 1.00 2.21 H new ATOM 0 HE1 TYR A 61 -5.331 -0.264 4.075 1.00 65.15 H new ATOM 0 HE2 TYR A 61 -6.240 3.852 4.698 1.00 63.13 H new ATOM 0 HH TYR A 61 -7.403 0.711 3.688 1.00 74.03 H new ATOM 992 N PRO A 62 -3.042 3.343 9.686 1.00 52.41 N ATOM 993 CA PRO A 62 -3.960 4.159 10.470 1.00 21.23 C ATOM 994 C PRO A 62 -4.615 5.235 9.614 1.00 51.44 C ATOM 995 O PRO A 62 -3.964 5.847 8.763 1.00 63.44 O ATOM 996 CB PRO A 62 -3.064 4.802 11.544 1.00 54.31 C ATOM 997 CG PRO A 62 -1.719 4.164 11.391 1.00 45.34 C ATOM 998 CD PRO A 62 -1.646 3.672 9.977 1.00 64.24 C ATOM 0 HA PRO A 62 -4.776 3.570 10.890 1.00 21.23 H new ATOM 0 HB2 PRO A 62 -3.002 5.881 11.406 1.00 54.31 H new ATOM 0 HB3 PRO A 62 -3.466 4.631 12.542 1.00 54.31 H new ATOM 0 HG2 PRO A 62 -0.923 4.880 11.595 1.00 45.34 H new ATOM 0 HG3 PRO A 62 -1.596 3.342 12.096 1.00 45.34 H new ATOM 0 HD2 PRO A 62 -1.259 4.435 9.301 1.00 64.24 H new ATOM 0 HD3 PRO A 62 -0.996 2.802 9.883 1.00 64.24 H new ATOM 1125 N HIS A 71 -1.133 13.049 4.600 1.00 32.11 N ATOM 1126 CA HIS A 71 -0.857 11.758 5.226 1.00 1.43 C ATOM 1127 C HIS A 71 0.541 11.252 4.857 1.00 74.24 C ATOM 1128 O HIS A 71 0.840 10.072 5.035 1.00 54.23 O ATOM 1129 CB HIS A 71 -1.917 10.743 4.774 1.00 62.42 C ATOM 1130 CG HIS A 71 -2.612 10.023 5.890 1.00 50.42 C ATOM 1131 ND1 HIS A 71 -3.206 10.489 7.018 1.00 52.52 N flip ATOM 1132 CD2 HIS A 71 -2.800 8.654 5.900 1.00 15.11 C flip ATOM 1133 CE1 HIS A 71 -3.736 9.405 7.675 1.00 44.04 C flip ATOM 1134 NE2 HIS A 71 -3.480 8.312 6.982 1.00 13.14 N flip ATOM 0 HA HIS A 71 -0.895 11.879 6.309 1.00 1.43 H new ATOM 0 HB2 HIS A 71 -2.664 11.262 4.174 1.00 62.42 H new ATOM 0 HB3 HIS A 71 -1.442 10.007 4.125 1.00 62.42 H new ATOM 0 HD2 HIS A 71 -2.447 7.970 5.143 1.00 15.11 H new ATOM 0 HE1 HIS A 71 -4.276 9.442 8.610 1.00 44.04 H new ATOM 0 HE2 HIS A 71 -3.759 7.365 7.237 1.00 13.14 H new ATOM 1143 N ASP A 72 1.382 12.158 4.353 1.00 32.51 N ATOM 1144 CA ASP A 72 2.685 11.803 3.764 1.00 43.23 C ATOM 1145 C ASP A 72 3.538 10.918 4.675 1.00 11.15 C ATOM 1146 O ASP A 72 4.172 9.971 4.210 1.00 44.14 O ATOM 1147 CB ASP A 72 3.498 13.065 3.455 1.00 53.42 C ATOM 1148 CG ASP A 72 2.716 14.125 2.712 1.00 13.14 C ATOM 1149 OD1 ASP A 72 2.030 14.928 3.377 1.00 61.34 O ATOM 1150 OD2 ASP A 72 2.798 14.172 1.466 1.00 43.22 O ATOM 0 H ASP A 72 1.184 13.158 4.339 1.00 32.51 H new ATOM 0 HA ASP A 72 2.452 11.247 2.856 1.00 43.23 H new ATOM 0 HB2 ASP A 72 3.867 13.487 4.390 1.00 53.42 H new ATOM 0 HB3 ASP A 72 4.371 12.788 2.864 1.00 53.42 H new ATOM 1155 N ASP A 73 3.537 11.203 5.968 1.00 54.03 N ATOM 1156 CA ASP A 73 4.473 10.550 6.879 1.00 11.14 C ATOM 1157 C ASP A 73 3.847 9.336 7.564 1.00 14.21 C ATOM 1158 O ASP A 73 4.431 8.752 8.475 1.00 61.24 O ATOM 1159 CB ASP A 73 4.986 11.552 7.921 1.00 23.43 C ATOM 1160 CG ASP A 73 6.144 11.001 8.732 1.00 33.32 C ATOM 1161 OD1 ASP A 73 7.229 10.775 8.151 1.00 53.41 O ATOM 1162 OD2 ASP A 73 5.970 10.769 9.944 1.00 33.40 O ATOM 0 H ASP A 73 2.908 11.874 6.409 1.00 54.03 H new ATOM 0 HA ASP A 73 5.315 10.190 6.287 1.00 11.14 H new ATOM 0 HB2 ASP A 73 5.301 12.466 7.418 1.00 23.43 H new ATOM 0 HB3 ASP A 73 4.171 11.822 8.593 1.00 23.43 H new ATOM 1167 N VAL A 74 2.667 8.943 7.122 1.00 75.31 N ATOM 1168 CA VAL A 74 2.019 7.764 7.667 1.00 42.51 C ATOM 1169 C VAL A 74 2.598 6.506 7.031 1.00 20.23 C ATOM 1170 O VAL A 74 2.583 6.354 5.812 1.00 43.31 O ATOM 1171 CB VAL A 74 0.492 7.809 7.461 1.00 44.22 C ATOM 1172 CG1 VAL A 74 -0.156 6.504 7.898 1.00 0.14 C ATOM 1173 CG2 VAL A 74 -0.104 8.979 8.228 1.00 20.21 C ATOM 0 H VAL A 74 2.140 9.420 6.391 1.00 75.31 H new ATOM 0 HA VAL A 74 2.209 7.746 8.740 1.00 42.51 H new ATOM 0 HB VAL A 74 0.294 7.944 6.398 1.00 44.22 H new ATOM 0 HG11 VAL A 74 -1.233 6.563 7.742 1.00 0.14 H new ATOM 0 HG12 VAL A 74 0.251 5.681 7.311 1.00 0.14 H new ATOM 0 HG13 VAL A 74 0.049 6.332 8.955 1.00 0.14 H new ATOM 0 HG21 VAL A 74 -1.183 9.002 8.076 1.00 20.21 H new ATOM 0 HG22 VAL A 74 0.110 8.864 9.291 1.00 20.21 H new ATOM 0 HG23 VAL A 74 0.333 9.910 7.868 1.00 20.21 H new ATOM 1183 N ASP A 75 3.132 5.631 7.865 1.00 3.52 N ATOM 1184 CA ASP A 75 3.737 4.390 7.400 1.00 34.42 C ATOM 1185 C ASP A 75 2.668 3.358 7.086 1.00 74.22 C ATOM 1186 O ASP A 75 1.847 3.020 7.941 1.00 20.41 O ATOM 1187 CB ASP A 75 4.692 3.812 8.452 1.00 0.51 C ATOM 1188 CG ASP A 75 5.812 4.759 8.824 1.00 13.54 C ATOM 1189 OD1 ASP A 75 5.535 5.805 9.447 1.00 21.43 O ATOM 1190 OD2 ASP A 75 6.981 4.452 8.514 1.00 33.41 O ATOM 0 H ASP A 75 3.160 5.757 8.877 1.00 3.52 H new ATOM 0 HA ASP A 75 4.300 4.622 6.496 1.00 34.42 H new ATOM 0 HB2 ASP A 75 4.125 3.560 9.348 1.00 0.51 H new ATOM 0 HB3 ASP A 75 5.120 2.884 8.074 1.00 0.51 H new ATOM 1195 N ILE A 76 2.671 2.881 5.856 1.00 23.25 N ATOM 1196 CA ILE A 76 1.810 1.785 5.464 1.00 64.03 C ATOM 1197 C ILE A 76 2.587 0.486 5.633 1.00 65.33 C ATOM 1198 O ILE A 76 3.528 0.213 4.885 1.00 21.33 O ATOM 1199 CB ILE A 76 1.337 1.920 3.999 1.00 24.32 C ATOM 1200 CG1 ILE A 76 0.862 3.353 3.701 1.00 52.24 C ATOM 1201 CG2 ILE A 76 0.234 0.912 3.708 1.00 14.32 C ATOM 1202 CD1 ILE A 76 -0.211 3.864 4.635 1.00 54.40 C ATOM 0 H ILE A 76 3.265 3.239 5.108 1.00 23.25 H new ATOM 0 HA ILE A 76 0.921 1.795 6.094 1.00 64.03 H new ATOM 0 HB ILE A 76 2.182 1.709 3.344 1.00 24.32 H new ATOM 0 HG12 ILE A 76 1.719 4.024 3.751 1.00 52.24 H new ATOM 0 HG13 ILE A 76 0.485 3.392 2.679 1.00 52.24 H new ATOM 0 HG21 ILE A 76 -0.091 1.017 2.673 1.00 14.32 H new ATOM 0 HG22 ILE A 76 0.612 -0.098 3.869 1.00 14.32 H new ATOM 0 HG23 ILE A 76 -0.610 1.094 4.373 1.00 14.32 H new ATOM 0 HD11 ILE A 76 -0.486 4.880 4.352 1.00 54.40 H new ATOM 0 HD12 ILE A 76 -1.088 3.220 4.569 1.00 54.40 H new ATOM 0 HD13 ILE A 76 0.166 3.861 5.658 1.00 54.40 H new ATOM 1214 N ILE A 77 2.210 -0.295 6.629 1.00 5.45 N ATOM 1215 CA ILE A 77 2.983 -1.466 7.014 1.00 33.52 C ATOM 1216 C ILE A 77 2.426 -2.734 6.379 1.00 41.34 C ATOM 1217 O ILE A 77 1.262 -3.077 6.575 1.00 33.12 O ATOM 1218 CB ILE A 77 2.997 -1.641 8.546 1.00 40.55 C ATOM 1219 CG1 ILE A 77 3.448 -0.343 9.219 1.00 4.31 C ATOM 1220 CG2 ILE A 77 3.909 -2.795 8.944 1.00 14.14 C ATOM 1221 CD1 ILE A 77 3.372 -0.385 10.729 1.00 13.02 C ATOM 0 H ILE A 77 1.371 -0.141 7.188 1.00 5.45 H new ATOM 0 HA ILE A 77 4.000 -1.305 6.656 1.00 33.52 H new ATOM 0 HB ILE A 77 1.986 -1.875 8.880 1.00 40.55 H new ATOM 0 HG12 ILE A 77 4.474 -0.127 8.921 1.00 4.31 H new ATOM 0 HG13 ILE A 77 2.831 0.478 8.855 1.00 4.31 H new ATOM 0 HG21 ILE A 77 3.906 -2.903 10.029 1.00 14.14 H new ATOM 0 HG22 ILE A 77 3.550 -3.717 8.486 1.00 14.14 H new ATOM 0 HG23 ILE A 77 4.924 -2.591 8.602 1.00 14.14 H new ATOM 0 HD11 ILE A 77 3.707 0.569 11.137 1.00 13.02 H new ATOM 0 HD12 ILE A 77 2.343 -0.570 11.037 1.00 13.02 H new ATOM 0 HD13 ILE A 77 4.012 -1.184 11.103 1.00 13.02 H new ATOM 1233 N LEU A 78 3.259 -3.425 5.616 1.00 35.03 N ATOM 1234 CA LEU A 78 2.876 -4.701 5.035 1.00 32.22 C ATOM 1235 C LEU A 78 3.072 -5.814 6.065 1.00 13.12 C ATOM 1236 O LEU A 78 4.193 -6.111 6.476 1.00 43.31 O ATOM 1237 CB LEU A 78 3.688 -4.963 3.759 1.00 21.13 C ATOM 1238 CG LEU A 78 3.324 -6.230 2.976 1.00 20.14 C ATOM 1239 CD1 LEU A 78 3.455 -5.990 1.482 1.00 54.02 C ATOM 1240 CD2 LEU A 78 4.218 -7.388 3.384 1.00 23.13 C ATOM 0 H LEU A 78 4.205 -3.123 5.385 1.00 35.03 H new ATOM 0 HA LEU A 78 1.822 -4.677 4.758 1.00 32.22 H new ATOM 0 HB2 LEU A 78 3.572 -4.105 3.097 1.00 21.13 H new ATOM 0 HB3 LEU A 78 4.743 -5.017 4.029 1.00 21.13 H new ATOM 0 HG LEU A 78 2.289 -6.482 3.208 1.00 20.14 H new ATOM 0 HD11 LEU A 78 3.193 -6.900 0.943 1.00 54.02 H new ATOM 0 HD12 LEU A 78 2.784 -5.185 1.183 1.00 54.02 H new ATOM 0 HD13 LEU A 78 4.482 -5.712 1.247 1.00 54.02 H new ATOM 0 HD21 LEU A 78 3.943 -8.277 2.817 1.00 23.13 H new ATOM 0 HD22 LEU A 78 5.258 -7.134 3.180 1.00 23.13 H new ATOM 0 HD23 LEU A 78 4.095 -7.585 4.449 1.00 23.13 H new ATOM 1252 N LEU A 79 1.966 -6.406 6.490 1.00 60.42 N ATOM 1253 CA LEU A 79 1.982 -7.430 7.524 1.00 21.33 C ATOM 1254 C LEU A 79 2.152 -8.811 6.911 1.00 23.45 C ATOM 1255 O LEU A 79 2.905 -9.644 7.416 1.00 5.24 O ATOM 1256 CB LEU A 79 0.676 -7.397 8.319 1.00 22.35 C ATOM 1257 CG LEU A 79 0.328 -6.061 8.973 1.00 65.41 C ATOM 1258 CD1 LEU A 79 -1.057 -6.132 9.596 1.00 34.22 C ATOM 1259 CD2 LEU A 79 1.367 -5.695 10.022 1.00 3.45 C ATOM 0 H LEU A 79 1.036 -6.192 6.130 1.00 60.42 H new ATOM 0 HA LEU A 79 2.823 -7.226 8.187 1.00 21.33 H new ATOM 0 HB2 LEU A 79 -0.140 -7.677 7.653 1.00 22.35 H new ATOM 0 HB3 LEU A 79 0.727 -8.158 9.097 1.00 22.35 H new ATOM 0 HG LEU A 79 0.328 -5.285 8.208 1.00 65.41 H new ATOM 0 HD11 LEU A 79 -1.297 -5.175 10.060 1.00 34.22 H new ATOM 0 HD12 LEU A 79 -1.793 -6.355 8.823 1.00 34.22 H new ATOM 0 HD13 LEU A 79 -1.076 -6.917 10.352 1.00 34.22 H new ATOM 0 HD21 LEU A 79 1.103 -4.741 10.478 1.00 3.45 H new ATOM 0 HD22 LEU A 79 1.397 -6.468 10.790 1.00 3.45 H new ATOM 0 HD23 LEU A 79 2.347 -5.614 9.551 1.00 3.45 H new ATOM 1271 N GLN A 80 1.448 -9.041 5.816 1.00 62.05 N ATOM 1272 CA GLN A 80 1.438 -10.338 5.170 1.00 30.13 C ATOM 1273 C GLN A 80 1.933 -10.199 3.742 1.00 51.11 C ATOM 1274 O GLN A 80 1.467 -9.336 3.001 1.00 25.21 O ATOM 1275 CB GLN A 80 0.013 -10.895 5.185 1.00 74.20 C ATOM 1276 CG GLN A 80 -0.112 -12.323 4.682 1.00 55.41 C ATOM 1277 CD GLN A 80 -1.547 -12.818 4.714 1.00 51.44 C ATOM 1278 OE1 GLN A 80 -2.004 -13.367 5.716 1.00 21.22 O ATOM 1279 NE2 GLN A 80 -2.271 -12.632 3.619 1.00 12.43 N ATOM 0 H GLN A 80 0.872 -8.338 5.354 1.00 62.05 H new ATOM 0 HA GLN A 80 2.096 -11.023 5.704 1.00 30.13 H new ATOM 0 HB2 GLN A 80 -0.371 -10.847 6.204 1.00 74.20 H new ATOM 0 HB3 GLN A 80 -0.621 -10.252 4.575 1.00 74.20 H new ATOM 0 HG2 GLN A 80 0.268 -12.382 3.662 1.00 55.41 H new ATOM 0 HG3 GLN A 80 0.510 -12.977 5.293 1.00 55.41 H new ATOM 0 HE21 GLN A 80 -1.859 -12.173 2.807 1.00 12.43 H new ATOM 0 HE22 GLN A 80 -3.240 -12.948 3.589 1.00 12.43 H new ATOM 1288 N ASP A 81 2.861 -11.048 3.346 1.00 21.24 N ATOM 1289 CA ASP A 81 3.399 -10.977 1.999 1.00 33.04 C ATOM 1290 C ASP A 81 2.717 -12.016 1.126 1.00 52.34 C ATOM 1291 O ASP A 81 3.041 -13.205 1.182 1.00 4.23 O ATOM 1292 CB ASP A 81 4.915 -11.184 1.994 1.00 63.00 C ATOM 1293 CG ASP A 81 5.586 -10.501 0.815 1.00 4.14 C ATOM 1294 OD1 ASP A 81 5.182 -10.751 -0.343 1.00 42.14 O ATOM 1295 OD2 ASP A 81 6.531 -9.712 1.040 1.00 72.40 O ATOM 0 H ASP A 81 3.255 -11.787 3.928 1.00 21.24 H new ATOM 0 HA ASP A 81 3.203 -9.982 1.599 1.00 33.04 H new ATOM 0 HB2 ASP A 81 5.335 -10.797 2.922 1.00 63.00 H new ATOM 0 HB3 ASP A 81 5.134 -12.251 1.965 1.00 63.00 H new