USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 734 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0492) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0152 USER MOD Single : A 3 LYS NZ :NH3+ 151:sc= 1.28 (180deg=1.22) USER MOD Single : A 8 ASN :FLIP amide:sc= -2.5! C(o=-4.4!,f=-2.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -160:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -106:sc= -1.83! (180deg=-2.56!) USER MOD Single : A 25 SER OG : rot 154:sc= 1 USER MOD Single : A 26 LYS NZ :NH3+ -170:sc= -0.0487 (180deg=-0.263) USER MOD Single : A 30 LYS NZ :NH3+ -158:sc= 1.15 (180deg=0.763) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 81:sc= 0.449 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -150:sc= 1.04 (180deg=0.539) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 22:sc= -0.304 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0.00334 USER MOD Single : A 71 LYS NZ :NH3+ -164:sc= -0.0505 (180deg=-0.333) USER MOD Single : A 81 HIS :FLIP no HE2:sc= 0.0874 F(o=-1.4,f=0.087) USER MOD Single : A 82 HIS : no HD1:sc= -0.0253 X(o=-0.025,f=-0.068) USER MOD Single : A 83 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.14) USER MOD Single : A 84 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.4!) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc=-0.00803 X(o=-0.008,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.585 9.176 10.549 1.00 61.45 N ATOM 2 CA MET A 1 12.800 7.991 10.959 1.00 2.31 C ATOM 3 C MET A 1 12.139 7.356 9.747 1.00 40.25 C ATOM 4 O MET A 1 11.579 8.052 8.901 1.00 62.33 O ATOM 5 CB MET A 1 11.726 8.382 11.981 1.00 34.53 C ATOM 6 CG MET A 1 12.278 8.875 13.310 1.00 21.25 C ATOM 7 SD MET A 1 13.248 7.621 14.176 1.00 31.12 S ATOM 8 CE MET A 1 13.619 8.483 15.704 1.00 24.43 C ATOM 0 H1 MET A 1 14.114 9.542 11.366 1.00 61.45 H new ATOM 0 H2 MET A 1 14.252 8.908 9.797 1.00 61.45 H new ATOM 0 H3 MET A 1 12.942 9.913 10.194 1.00 61.45 H new ATOM 0 HA MET A 1 13.480 7.273 11.418 1.00 2.31 H new ATOM 0 HB2 MET A 1 11.097 9.161 11.550 1.00 34.53 H new ATOM 0 HB3 MET A 1 11.084 7.520 12.164 1.00 34.53 H new ATOM 0 HG2 MET A 1 12.900 9.753 13.136 1.00 21.25 H new ATOM 0 HG3 MET A 1 11.451 9.191 13.946 1.00 21.25 H new ATOM 0 HE1 MET A 1 14.216 7.839 16.350 1.00 24.43 H new ATOM 0 HE2 MET A 1 14.178 9.392 15.482 1.00 24.43 H new ATOM 0 HE3 MET A 1 12.689 8.743 16.210 1.00 24.43 H new ATOM 20 N THR A 2 12.220 6.039 9.650 1.00 72.11 N ATOM 21 CA THR A 2 11.574 5.323 8.565 1.00 2.21 C ATOM 22 C THR A 2 10.089 5.131 8.858 1.00 64.43 C ATOM 23 O THR A 2 9.237 5.625 8.117 1.00 41.33 O ATOM 24 CB THR A 2 12.244 3.957 8.317 1.00 15.00 C ATOM 25 OG1 THR A 2 12.381 3.236 9.550 1.00 75.43 O ATOM 26 CG2 THR A 2 13.610 4.136 7.678 1.00 51.04 C ATOM 0 H THR A 2 12.726 5.446 10.308 1.00 72.11 H new ATOM 0 HA THR A 2 11.683 5.924 7.662 1.00 2.21 H new ATOM 0 HB THR A 2 11.609 3.389 7.638 1.00 15.00 H new ATOM 0 HG1 THR A 2 12.806 2.370 9.377 1.00 75.43 H new ATOM 0 HG21 THR A 2 14.065 3.159 7.512 1.00 51.04 H new ATOM 0 HG22 THR A 2 13.501 4.652 6.724 1.00 51.04 H new ATOM 0 HG23 THR A 2 14.246 4.725 8.339 1.00 51.04 H new ATOM 34 N LYS A 3 9.803 4.434 9.962 1.00 5.31 N ATOM 35 CA LYS A 3 8.432 4.152 10.403 1.00 20.41 C ATOM 36 C LYS A 3 7.707 3.183 9.474 1.00 43.42 C ATOM 37 O LYS A 3 8.184 2.863 8.383 1.00 64.04 O ATOM 38 CB LYS A 3 7.601 5.432 10.527 1.00 31.14 C ATOM 39 CG LYS A 3 7.746 6.153 11.857 1.00 34.35 C ATOM 40 CD LYS A 3 6.650 7.194 12.028 1.00 15.10 C ATOM 41 CE LYS A 3 5.272 6.572 11.845 1.00 33.55 C ATOM 42 NZ LYS A 3 4.176 7.561 12.010 1.00 73.30 N ATOM 0 H LYS A 3 10.518 4.048 10.578 1.00 5.31 H new ATOM 0 HA LYS A 3 8.531 3.687 11.384 1.00 20.41 H new ATOM 0 HB2 LYS A 3 7.886 6.114 9.726 1.00 31.14 H new ATOM 0 HB3 LYS A 3 6.550 5.184 10.376 1.00 31.14 H new ATOM 0 HG2 LYS A 3 7.700 5.432 12.674 1.00 34.35 H new ATOM 0 HG3 LYS A 3 8.723 6.634 11.911 1.00 34.35 H new ATOM 0 HD2 LYS A 3 6.721 7.643 13.019 1.00 15.10 H new ATOM 0 HD3 LYS A 3 6.790 7.996 11.304 1.00 15.10 H new ATOM 0 HE2 LYS A 3 5.207 6.125 10.853 1.00 33.55 H new ATOM 0 HE3 LYS A 3 5.142 5.766 12.567 1.00 33.55 H new ATOM 0 HZ1 LYS A 3 3.360 7.274 11.433 1.00 73.30 H new ATOM 0 HZ2 LYS A 3 3.895 7.604 13.010 1.00 73.30 H new ATOM 0 HZ3 LYS A 3 4.505 8.498 11.703 1.00 73.30 H new ATOM 56 N GLY A 4 6.550 2.716 9.939 1.00 51.14 N ATOM 57 CA GLY A 4 5.677 1.891 9.129 1.00 0.55 C ATOM 58 C GLY A 4 6.306 0.590 8.680 1.00 33.41 C ATOM 59 O GLY A 4 7.319 0.143 9.226 1.00 24.13 O ATOM 0 H GLY A 4 6.200 2.900 10.879 1.00 51.14 H new ATOM 0 HA2 GLY A 4 4.773 1.669 9.696 1.00 0.55 H new ATOM 0 HA3 GLY A 4 5.371 2.458 8.250 1.00 0.55 H new ATOM 63 N ILE A 5 5.674 -0.022 7.699 1.00 44.12 N ATOM 64 CA ILE A 5 6.176 -1.218 7.054 1.00 24.14 C ATOM 65 C ILE A 5 5.973 -1.066 5.558 1.00 61.12 C ATOM 66 O ILE A 5 5.389 -0.079 5.115 1.00 53.02 O ATOM 67 CB ILE A 5 5.453 -2.498 7.536 1.00 1.42 C ATOM 68 CG1 ILE A 5 3.933 -2.342 7.396 1.00 62.42 C ATOM 69 CG2 ILE A 5 5.836 -2.824 8.975 1.00 71.32 C ATOM 70 CD1 ILE A 5 3.152 -3.577 7.792 1.00 21.34 C ATOM 0 H ILE A 5 4.784 0.303 7.322 1.00 44.12 H new ATOM 0 HA ILE A 5 7.230 -1.327 7.309 1.00 24.14 H new ATOM 0 HB ILE A 5 5.769 -3.330 6.907 1.00 1.42 H new ATOM 0 HG12 ILE A 5 3.605 -1.504 8.011 1.00 62.42 H new ATOM 0 HG13 ILE A 5 3.697 -2.090 6.362 1.00 62.42 H new ATOM 0 HG21 ILE A 5 5.316 -3.728 9.294 1.00 71.32 H new ATOM 0 HG22 ILE A 5 6.913 -2.983 9.038 1.00 71.32 H new ATOM 0 HG23 ILE A 5 5.553 -1.995 9.624 1.00 71.32 H new ATOM 0 HD11 ILE A 5 2.086 -3.389 7.666 1.00 21.34 H new ATOM 0 HD12 ILE A 5 3.450 -4.414 7.161 1.00 21.34 H new ATOM 0 HD13 ILE A 5 3.357 -3.818 8.835 1.00 21.34 H new ATOM 82 N GLY A 6 6.435 -2.024 4.781 1.00 34.04 N ATOM 83 CA GLY A 6 6.210 -1.961 3.360 1.00 43.14 C ATOM 84 C GLY A 6 4.765 -2.257 3.025 1.00 51.44 C ATOM 85 O GLY A 6 4.104 -3.016 3.731 1.00 75.50 O ATOM 0 H GLY A 6 6.958 -2.838 5.105 1.00 34.04 H new ATOM 0 HA2 GLY A 6 6.477 -0.971 2.990 1.00 43.14 H new ATOM 0 HA3 GLY A 6 6.858 -2.676 2.854 1.00 43.14 H new ATOM 89 N LEU A 7 4.271 -1.650 1.958 1.00 54.24 N ATOM 90 CA LEU A 7 2.902 -1.874 1.500 1.00 50.34 C ATOM 91 C LEU A 7 2.683 -3.366 1.229 1.00 73.42 C ATOM 92 O LEU A 7 1.589 -3.897 1.406 1.00 3.41 O ATOM 93 CB LEU A 7 2.651 -1.032 0.235 1.00 21.12 C ATOM 94 CG LEU A 7 1.187 -0.759 -0.139 1.00 35.03 C ATOM 95 CD1 LEU A 7 0.507 -2.006 -0.676 1.00 33.24 C ATOM 96 CD2 LEU A 7 0.427 -0.201 1.053 1.00 21.11 C ATOM 0 H LEU A 7 4.800 -0.992 1.386 1.00 54.24 H new ATOM 0 HA LEU A 7 2.193 -1.567 2.269 1.00 50.34 H new ATOM 0 HB2 LEU A 7 3.153 -0.073 0.361 1.00 21.12 H new ATOM 0 HB3 LEU A 7 3.128 -1.534 -0.607 1.00 21.12 H new ATOM 0 HG LEU A 7 1.180 -0.014 -0.934 1.00 35.03 H new ATOM 0 HD11 LEU A 7 -0.528 -1.775 -0.930 1.00 33.24 H new ATOM 0 HD12 LEU A 7 1.031 -2.351 -1.567 1.00 33.24 H new ATOM 0 HD13 LEU A 7 0.528 -2.788 0.083 1.00 33.24 H new ATOM 0 HD21 LEU A 7 -0.609 -0.014 0.769 1.00 21.11 H new ATOM 0 HD22 LEU A 7 0.454 -0.921 1.871 1.00 21.11 H new ATOM 0 HD23 LEU A 7 0.889 0.732 1.375 1.00 21.11 H new ATOM 108 N ASN A 8 3.757 -4.039 0.845 1.00 61.13 N ATOM 109 CA ASN A 8 3.717 -5.465 0.539 1.00 3.31 C ATOM 110 C ASN A 8 3.539 -6.303 1.808 1.00 42.34 C ATOM 111 O ASN A 8 3.217 -7.488 1.737 1.00 35.21 O ATOM 112 CB ASN A 8 5.010 -5.885 -0.173 1.00 54.14 C ATOM 113 CG ASN A 8 6.230 -5.810 0.732 1.00 23.40 C ATOM 114 OD1 ASN A 8 6.872 -4.650 0.781 1.00 51.52 O flip ATOM 115 ND2 ASN A 8 6.596 -6.788 1.382 1.00 4.54 N flip ATOM 0 H ASN A 8 4.679 -3.616 0.736 1.00 61.13 H new ATOM 0 HA ASN A 8 2.862 -5.642 -0.113 1.00 3.31 H new ATOM 0 HB2 ASN A 8 4.901 -6.904 -0.545 1.00 54.14 H new ATOM 0 HB3 ASN A 8 5.167 -5.244 -1.041 1.00 54.14 H new ATOM 0 HD21 ASN A 8 6.078 -7.664 1.320 1.00 4.54 H new ATOM 0 HD22 ASN A 8 7.417 -6.722 1.983 1.00 4.54 H new ATOM 122 N GLU A 9 3.740 -5.677 2.963 1.00 51.01 N ATOM 123 CA GLU A 9 3.720 -6.380 4.233 1.00 41.21 C ATOM 124 C GLU A 9 2.398 -6.163 4.958 1.00 64.15 C ATOM 125 O GLU A 9 2.219 -6.617 6.088 1.00 2.31 O ATOM 126 CB GLU A 9 4.872 -5.893 5.106 1.00 33.13 C ATOM 127 CG GLU A 9 6.241 -6.125 4.495 1.00 22.42 C ATOM 128 CD GLU A 9 7.363 -5.615 5.369 1.00 70.34 C ATOM 129 OE1 GLU A 9 7.684 -4.410 5.293 1.00 13.53 O ATOM 130 OE2 GLU A 9 7.945 -6.418 6.126 1.00 53.22 O ATOM 0 H GLU A 9 3.920 -4.676 3.041 1.00 51.01 H new ATOM 0 HA GLU A 9 3.831 -7.447 4.037 1.00 41.21 H new ATOM 0 HB2 GLU A 9 4.745 -4.828 5.298 1.00 33.13 H new ATOM 0 HB3 GLU A 9 4.824 -6.398 6.071 1.00 33.13 H new ATOM 0 HG2 GLU A 9 6.380 -7.192 4.318 1.00 22.42 H new ATOM 0 HG3 GLU A 9 6.289 -5.632 3.524 1.00 22.42 H new ATOM 137 N VAL A 10 1.481 -5.468 4.308 1.00 53.11 N ATOM 138 CA VAL A 10 0.185 -5.188 4.901 1.00 3.34 C ATOM 139 C VAL A 10 -0.761 -6.369 4.686 1.00 61.30 C ATOM 140 O VAL A 10 -0.597 -7.156 3.747 1.00 70.33 O ATOM 141 CB VAL A 10 -0.440 -3.901 4.321 1.00 72.33 C ATOM 142 CG1 VAL A 10 -1.673 -3.486 5.111 1.00 33.30 C ATOM 143 CG2 VAL A 10 0.582 -2.771 4.294 1.00 53.52 C ATOM 0 H VAL A 10 1.609 -5.087 3.370 1.00 53.11 H new ATOM 0 HA VAL A 10 0.337 -5.036 5.970 1.00 3.34 H new ATOM 0 HB VAL A 10 -0.750 -4.112 3.297 1.00 72.33 H new ATOM 0 HG11 VAL A 10 -2.092 -2.577 4.680 1.00 33.30 H new ATOM 0 HG12 VAL A 10 -2.416 -4.283 5.071 1.00 33.30 H new ATOM 0 HG13 VAL A 10 -1.395 -3.301 6.149 1.00 33.30 H new ATOM 0 HG21 VAL A 10 0.121 -1.873 3.882 1.00 53.52 H new ATOM 0 HG22 VAL A 10 0.928 -2.569 5.308 1.00 53.52 H new ATOM 0 HG23 VAL A 10 1.429 -3.062 3.673 1.00 53.52 H new ATOM 153 N GLU A 11 -1.747 -6.482 5.558 1.00 13.25 N ATOM 154 CA GLU A 11 -2.652 -7.618 5.561 1.00 31.14 C ATOM 155 C GLU A 11 -3.915 -7.296 4.766 1.00 1.20 C ATOM 156 O GLU A 11 -4.099 -6.169 4.303 1.00 41.14 O ATOM 157 CB GLU A 11 -3.002 -7.991 7.004 1.00 64.44 C ATOM 158 CG GLU A 11 -3.435 -9.433 7.184 1.00 2.11 C ATOM 159 CD GLU A 11 -3.852 -9.738 8.606 1.00 13.51 C ATOM 160 OE1 GLU A 11 -2.967 -9.918 9.471 1.00 74.42 O ATOM 161 OE2 GLU A 11 -5.067 -9.815 8.862 1.00 61.42 O ATOM 0 H GLU A 11 -1.943 -5.791 6.282 1.00 13.25 H new ATOM 0 HA GLU A 11 -2.162 -8.467 5.085 1.00 31.14 H new ATOM 0 HB2 GLU A 11 -2.135 -7.802 7.637 1.00 64.44 H new ATOM 0 HB3 GLU A 11 -3.801 -7.337 7.353 1.00 64.44 H new ATOM 0 HG2 GLU A 11 -4.266 -9.647 6.511 1.00 2.11 H new ATOM 0 HG3 GLU A 11 -2.616 -10.093 6.899 1.00 2.11 H new ATOM 168 N ILE A 12 -4.778 -8.290 4.609 1.00 12.21 N ATOM 169 CA ILE A 12 -6.000 -8.135 3.831 1.00 10.35 C ATOM 170 C ILE A 12 -7.050 -7.328 4.586 1.00 55.21 C ATOM 171 O ILE A 12 -7.136 -7.399 5.815 1.00 23.11 O ATOM 172 CB ILE A 12 -6.598 -9.503 3.439 1.00 23.12 C ATOM 173 CG1 ILE A 12 -6.765 -10.395 4.679 1.00 62.34 C ATOM 174 CG2 ILE A 12 -5.721 -10.181 2.394 1.00 33.15 C ATOM 175 CD1 ILE A 12 -7.420 -11.728 4.387 1.00 10.43 C ATOM 0 H ILE A 12 -4.653 -9.218 5.013 1.00 12.21 H new ATOM 0 HA ILE A 12 -5.723 -7.594 2.926 1.00 10.35 H new ATOM 0 HB ILE A 12 -7.585 -9.342 3.006 1.00 23.12 H new ATOM 0 HG12 ILE A 12 -5.785 -10.571 5.123 1.00 62.34 H new ATOM 0 HG13 ILE A 12 -7.360 -9.863 5.421 1.00 62.34 H new ATOM 0 HG21 ILE A 12 -6.154 -11.145 2.126 1.00 33.15 H new ATOM 0 HG22 ILE A 12 -5.660 -9.551 1.506 1.00 33.15 H new ATOM 0 HG23 ILE A 12 -4.721 -10.333 2.801 1.00 33.15 H new ATOM 0 HD11 ILE A 12 -7.504 -12.302 5.310 1.00 10.43 H new ATOM 0 HD12 ILE A 12 -8.414 -11.562 3.971 1.00 10.43 H new ATOM 0 HD13 ILE A 12 -6.815 -12.281 3.669 1.00 10.43 H new ATOM 187 N LYS A 13 -7.825 -6.548 3.831 1.00 64.53 N ATOM 188 CA LYS A 13 -8.911 -5.727 4.370 1.00 30.22 C ATOM 189 C LYS A 13 -8.414 -4.723 5.407 1.00 51.14 C ATOM 190 O LYS A 13 -9.183 -4.245 6.245 1.00 13.31 O ATOM 191 CB LYS A 13 -10.018 -6.604 4.952 1.00 44.14 C ATOM 192 CG LYS A 13 -10.838 -7.310 3.885 1.00 61.31 C ATOM 193 CD LYS A 13 -12.008 -8.067 4.487 1.00 31.11 C ATOM 194 CE LYS A 13 -12.922 -8.621 3.403 1.00 72.23 C ATOM 195 NZ LYS A 13 -14.069 -9.382 3.967 1.00 24.44 N ATOM 0 H LYS A 13 -7.716 -6.467 2.820 1.00 64.53 H new ATOM 0 HA LYS A 13 -9.322 -5.154 3.539 1.00 30.22 H new ATOM 0 HB2 LYS A 13 -9.575 -7.348 5.613 1.00 44.14 H new ATOM 0 HB3 LYS A 13 -10.679 -5.988 5.562 1.00 44.14 H new ATOM 0 HG2 LYS A 13 -11.208 -6.578 3.167 1.00 61.31 H new ATOM 0 HG3 LYS A 13 -10.201 -8.002 3.335 1.00 61.31 H new ATOM 0 HD2 LYS A 13 -11.636 -8.884 5.105 1.00 31.11 H new ATOM 0 HD3 LYS A 13 -12.575 -7.405 5.141 1.00 31.11 H new ATOM 0 HE2 LYS A 13 -13.298 -7.800 2.793 1.00 72.23 H new ATOM 0 HE3 LYS A 13 -12.347 -9.271 2.743 1.00 72.23 H new ATOM 0 HZ1 LYS A 13 -14.663 -9.740 3.192 1.00 24.44 H new ATOM 0 HZ2 LYS A 13 -13.713 -10.182 4.528 1.00 24.44 H new ATOM 0 HZ3 LYS A 13 -14.634 -8.757 4.576 1.00 24.44 H new ATOM 209 N SER A 14 -7.142 -4.375 5.316 1.00 61.41 N ATOM 210 CA SER A 14 -6.559 -3.392 6.207 1.00 43.04 C ATOM 211 C SER A 14 -6.284 -2.103 5.445 1.00 40.11 C ATOM 212 O SER A 14 -5.975 -2.132 4.257 1.00 13.14 O ATOM 213 CB SER A 14 -5.261 -3.928 6.804 1.00 15.11 C ATOM 214 OG SER A 14 -5.427 -5.251 7.280 1.00 62.20 O ATOM 0 H SER A 14 -6.493 -4.761 4.631 1.00 61.41 H new ATOM 0 HA SER A 14 -7.261 -3.188 7.015 1.00 43.04 H new ATOM 0 HB2 SER A 14 -4.474 -3.905 6.050 1.00 15.11 H new ATOM 0 HB3 SER A 14 -4.939 -3.282 7.621 1.00 15.11 H new ATOM 0 HG SER A 14 -4.717 -5.459 7.923 1.00 62.20 H new ATOM 220 N LYS A 15 -6.394 -0.976 6.122 1.00 74.24 N ATOM 221 CA LYS A 15 -6.121 0.307 5.495 1.00 32.34 C ATOM 222 C LYS A 15 -4.835 0.893 6.052 1.00 2.31 C ATOM 223 O LYS A 15 -4.475 0.624 7.194 1.00 42.22 O ATOM 224 CB LYS A 15 -7.289 1.272 5.700 1.00 24.22 C ATOM 225 CG LYS A 15 -7.641 1.538 7.155 1.00 33.03 C ATOM 226 CD LYS A 15 -8.833 2.473 7.255 1.00 3.14 C ATOM 227 CE LYS A 15 -9.234 2.733 8.696 1.00 61.25 C ATOM 228 NZ LYS A 15 -10.493 3.518 8.771 1.00 34.11 N ATOM 0 H LYS A 15 -6.669 -0.920 7.103 1.00 74.24 H new ATOM 0 HA LYS A 15 -6.000 0.152 4.423 1.00 32.34 H new ATOM 0 HB2 LYS A 15 -7.049 2.220 5.219 1.00 24.22 H new ATOM 0 HB3 LYS A 15 -8.168 0.871 5.194 1.00 24.22 H new ATOM 0 HG2 LYS A 15 -7.867 0.598 7.658 1.00 33.03 H new ATOM 0 HG3 LYS A 15 -6.785 1.976 7.668 1.00 33.03 H new ATOM 0 HD2 LYS A 15 -8.593 3.419 6.769 1.00 3.14 H new ATOM 0 HD3 LYS A 15 -9.677 2.043 6.716 1.00 3.14 H new ATOM 0 HE2 LYS A 15 -9.363 1.784 9.217 1.00 61.25 H new ATOM 0 HE3 LYS A 15 -8.436 3.272 9.207 1.00 61.25 H new ATOM 0 HZ1 LYS A 15 -10.742 3.680 9.768 1.00 34.11 H new ATOM 0 HZ2 LYS A 15 -10.361 4.433 8.294 1.00 34.11 H new ATOM 0 HZ3 LYS A 15 -11.259 2.991 8.304 1.00 34.11 H new ATOM 242 N VAL A 16 -4.134 1.665 5.234 1.00 52.20 N ATOM 243 CA VAL A 16 -2.866 2.264 5.627 1.00 72.41 C ATOM 244 C VAL A 16 -2.750 3.685 5.103 1.00 51.45 C ATOM 245 O VAL A 16 -3.644 4.187 4.418 1.00 75.42 O ATOM 246 CB VAL A 16 -1.661 1.448 5.102 1.00 55.33 C ATOM 247 CG1 VAL A 16 -1.599 0.079 5.755 1.00 54.32 C ATOM 248 CG2 VAL A 16 -1.722 1.313 3.588 1.00 3.21 C ATOM 0 H VAL A 16 -4.426 1.893 4.284 1.00 52.20 H new ATOM 0 HA VAL A 16 -2.848 2.268 6.717 1.00 72.41 H new ATOM 0 HB VAL A 16 -0.752 1.989 5.366 1.00 55.33 H new ATOM 0 HG11 VAL A 16 -0.742 -0.471 5.366 1.00 54.32 H new ATOM 0 HG12 VAL A 16 -1.497 0.195 6.834 1.00 54.32 H new ATOM 0 HG13 VAL A 16 -2.514 -0.471 5.534 1.00 54.32 H new ATOM 0 HG21 VAL A 16 -0.866 0.736 3.239 1.00 3.21 H new ATOM 0 HG22 VAL A 16 -2.643 0.803 3.305 1.00 3.21 H new ATOM 0 HG23 VAL A 16 -1.701 2.303 3.133 1.00 3.21 H new ATOM 258 N LYS A 17 -1.646 4.327 5.438 1.00 70.40 N ATOM 259 CA LYS A 17 -1.357 5.663 4.954 1.00 11.51 C ATOM 260 C LYS A 17 0.065 5.737 4.449 1.00 23.31 C ATOM 261 O LYS A 17 0.976 5.173 5.055 1.00 13.31 O ATOM 262 CB LYS A 17 -1.561 6.692 6.057 1.00 52.20 C ATOM 263 CG LYS A 17 -1.120 8.102 5.680 1.00 42.31 C ATOM 264 CD LYS A 17 -1.475 9.137 6.742 1.00 72.32 C ATOM 265 CE LYS A 17 -0.805 8.853 8.080 1.00 63.32 C ATOM 266 NZ LYS A 17 -1.654 8.011 8.967 1.00 3.01 N ATOM 0 H LYS A 17 -0.928 3.939 6.050 1.00 70.40 H new ATOM 0 HA LYS A 17 -2.043 5.885 4.137 1.00 11.51 H new ATOM 0 HB2 LYS A 17 -2.616 6.713 6.329 1.00 52.20 H new ATOM 0 HB3 LYS A 17 -1.010 6.375 6.942 1.00 52.20 H new ATOM 0 HG2 LYS A 17 -0.042 8.109 5.518 1.00 42.31 H new ATOM 0 HG3 LYS A 17 -1.586 8.383 4.736 1.00 42.31 H new ATOM 0 HD2 LYS A 17 -1.179 10.126 6.394 1.00 72.32 H new ATOM 0 HD3 LYS A 17 -2.556 9.157 6.878 1.00 72.32 H new ATOM 0 HE2 LYS A 17 0.147 8.351 7.908 1.00 63.32 H new ATOM 0 HE3 LYS A 17 -0.583 9.796 8.580 1.00 63.32 H new ATOM 0 HZ1 LYS A 17 -2.053 8.599 9.726 1.00 3.01 H new ATOM 0 HZ2 LYS A 17 -2.427 7.591 8.412 1.00 3.01 H new ATOM 0 HZ3 LYS A 17 -1.076 7.254 9.384 1.00 3.01 H new ATOM 280 N VAL A 18 0.244 6.447 3.354 1.00 22.22 N ATOM 281 CA VAL A 18 1.555 6.588 2.744 1.00 63.11 C ATOM 282 C VAL A 18 2.423 7.513 3.581 1.00 31.05 C ATOM 283 O VAL A 18 2.292 8.735 3.513 1.00 4.51 O ATOM 284 CB VAL A 18 1.471 7.128 1.301 1.00 33.10 C ATOM 285 CG1 VAL A 18 2.855 7.193 0.668 1.00 23.34 C ATOM 286 CG2 VAL A 18 0.542 6.269 0.463 1.00 54.32 C ATOM 0 H VAL A 18 -0.504 6.938 2.865 1.00 22.22 H new ATOM 0 HA VAL A 18 2.000 5.594 2.703 1.00 63.11 H new ATOM 0 HB VAL A 18 1.065 8.139 1.339 1.00 33.10 H new ATOM 0 HG11 VAL A 18 2.772 7.576 -0.349 1.00 23.34 H new ATOM 0 HG12 VAL A 18 3.493 7.855 1.254 1.00 23.34 H new ATOM 0 HG13 VAL A 18 3.292 6.195 0.645 1.00 23.34 H new ATOM 0 HG21 VAL A 18 0.496 6.666 -0.551 1.00 54.32 H new ATOM 0 HG22 VAL A 18 0.918 5.246 0.436 1.00 54.32 H new ATOM 0 HG23 VAL A 18 -0.456 6.277 0.902 1.00 54.32 H new ATOM 296 N ILE A 19 3.258 6.917 4.414 1.00 43.45 N ATOM 297 CA ILE A 19 4.204 7.669 5.226 1.00 62.13 C ATOM 298 C ILE A 19 5.424 8.072 4.408 1.00 51.51 C ATOM 299 O ILE A 19 5.822 9.239 4.403 1.00 2.15 O ATOM 300 CB ILE A 19 4.654 6.855 6.459 1.00 73.43 C ATOM 301 CG1 ILE A 19 3.454 6.565 7.364 1.00 32.01 C ATOM 302 CG2 ILE A 19 5.744 7.590 7.233 1.00 63.11 C ATOM 303 CD1 ILE A 19 2.752 7.814 7.861 1.00 65.30 C ATOM 0 H ILE A 19 3.301 5.907 4.548 1.00 43.45 H new ATOM 0 HA ILE A 19 3.693 8.569 5.568 1.00 62.13 H new ATOM 0 HB ILE A 19 5.070 5.909 6.112 1.00 73.43 H new ATOM 0 HG12 ILE A 19 2.739 5.949 6.819 1.00 32.01 H new ATOM 0 HG13 ILE A 19 3.789 5.981 8.221 1.00 32.01 H new ATOM 0 HG21 ILE A 19 6.042 6.994 8.096 1.00 63.11 H new ATOM 0 HG22 ILE A 19 6.607 7.748 6.586 1.00 63.11 H new ATOM 0 HG23 ILE A 19 5.363 8.554 7.571 1.00 63.11 H new ATOM 0 HD11 ILE A 19 1.912 7.531 8.496 1.00 65.30 H new ATOM 0 HD12 ILE A 19 3.452 8.421 8.435 1.00 65.30 H new ATOM 0 HD13 ILE A 19 2.386 8.389 7.010 1.00 65.30 H new ATOM 315 N GLY A 20 6.008 7.117 3.703 1.00 43.23 N ATOM 316 CA GLY A 20 7.203 7.410 2.950 1.00 3.32 C ATOM 317 C GLY A 20 7.390 6.524 1.742 1.00 52.41 C ATOM 318 O GLY A 20 6.704 5.515 1.573 1.00 53.33 O ATOM 0 H GLY A 20 5.678 6.154 3.640 1.00 43.23 H new ATOM 0 HA2 GLY A 20 7.172 8.450 2.626 1.00 3.32 H new ATOM 0 HA3 GLY A 20 8.069 7.306 3.604 1.00 3.32 H new ATOM 322 N ILE A 21 8.327 6.925 0.909 1.00 30.22 N ATOM 323 CA ILE A 21 8.685 6.199 -0.294 1.00 14.14 C ATOM 324 C ILE A 21 10.183 5.908 -0.242 1.00 14.41 C ATOM 325 O ILE A 21 10.912 6.588 0.483 1.00 34.02 O ATOM 326 CB ILE A 21 8.336 7.027 -1.556 1.00 22.14 C ATOM 327 CG1 ILE A 21 6.842 7.371 -1.585 1.00 31.11 C ATOM 328 CG2 ILE A 21 8.726 6.293 -2.831 1.00 53.42 C ATOM 329 CD1 ILE A 21 5.929 6.160 -1.655 1.00 64.34 C ATOM 0 H ILE A 21 8.870 7.777 1.049 1.00 30.22 H new ATOM 0 HA ILE A 21 8.123 5.267 -0.348 1.00 14.14 H new ATOM 0 HB ILE A 21 8.911 7.952 -1.507 1.00 22.14 H new ATOM 0 HG12 ILE A 21 6.595 7.948 -0.693 1.00 31.11 H new ATOM 0 HG13 ILE A 21 6.644 8.012 -2.444 1.00 31.11 H new ATOM 0 HG21 ILE A 21 8.467 6.903 -3.696 1.00 53.42 H new ATOM 0 HG22 ILE A 21 9.800 6.105 -2.829 1.00 53.42 H new ATOM 0 HG23 ILE A 21 8.192 5.344 -2.883 1.00 53.42 H new ATOM 0 HD11 ILE A 21 4.890 6.488 -1.672 1.00 64.34 H new ATOM 0 HD12 ILE A 21 6.145 5.593 -2.561 1.00 64.34 H new ATOM 0 HD13 ILE A 21 6.096 5.528 -0.783 1.00 64.34 H new ATOM 341 N VAL A 22 10.639 4.899 -0.967 1.00 61.41 N ATOM 342 CA VAL A 22 12.049 4.531 -0.963 1.00 23.52 C ATOM 343 C VAL A 22 12.733 5.040 -2.237 1.00 73.24 C ATOM 344 O VAL A 22 12.738 4.364 -3.262 1.00 4.13 O ATOM 345 CB VAL A 22 12.248 3.005 -0.833 1.00 33.43 C ATOM 346 CG1 VAL A 22 13.709 2.679 -0.571 1.00 71.35 C ATOM 347 CG2 VAL A 22 11.367 2.434 0.269 1.00 60.31 C ATOM 0 H VAL A 22 10.053 4.318 -1.567 1.00 61.41 H new ATOM 0 HA VAL A 22 12.505 5.000 -0.091 1.00 23.52 H new ATOM 0 HB VAL A 22 11.954 2.543 -1.775 1.00 33.43 H new ATOM 0 HG11 VAL A 22 13.831 1.599 -0.482 1.00 71.35 H new ATOM 0 HG12 VAL A 22 14.318 3.046 -1.398 1.00 71.35 H new ATOM 0 HG13 VAL A 22 14.028 3.157 0.355 1.00 71.35 H new ATOM 0 HG21 VAL A 22 11.525 1.358 0.341 1.00 60.31 H new ATOM 0 HG22 VAL A 22 11.623 2.903 1.219 1.00 60.31 H new ATOM 0 HG23 VAL A 22 10.320 2.632 0.037 1.00 60.31 H new ATOM 357 N PRO A 23 13.280 6.275 -2.185 1.00 71.42 N ATOM 358 CA PRO A 23 13.809 6.987 -3.362 1.00 52.00 C ATOM 359 C PRO A 23 14.769 6.151 -4.212 1.00 73.21 C ATOM 360 O PRO A 23 15.357 5.177 -3.740 1.00 63.33 O ATOM 361 CB PRO A 23 14.549 8.180 -2.748 1.00 22.44 C ATOM 362 CG PRO A 23 13.867 8.415 -1.449 1.00 5.24 C ATOM 363 CD PRO A 23 13.471 7.057 -0.950 1.00 32.13 C ATOM 0 HA PRO A 23 13.007 7.255 -4.050 1.00 52.00 H new ATOM 0 HB2 PRO A 23 15.607 7.960 -2.606 1.00 22.44 H new ATOM 0 HB3 PRO A 23 14.489 9.058 -3.392 1.00 22.44 H new ATOM 0 HG2 PRO A 23 14.530 8.914 -0.743 1.00 5.24 H new ATOM 0 HG3 PRO A 23 12.995 9.056 -1.575 1.00 5.24 H new ATOM 0 HD2 PRO A 23 14.243 6.622 -0.316 1.00 32.13 H new ATOM 0 HD3 PRO A 23 12.558 7.099 -0.357 1.00 32.13 H new ATOM 371 N GLU A 24 14.928 6.567 -5.466 1.00 42.12 N ATOM 372 CA GLU A 24 15.770 5.870 -6.434 1.00 40.33 C ATOM 373 C GLU A 24 15.214 4.481 -6.741 1.00 70.40 C ATOM 374 O GLU A 24 15.788 3.461 -6.355 1.00 64.24 O ATOM 375 CB GLU A 24 17.218 5.778 -5.941 1.00 31.52 C ATOM 376 CG GLU A 24 18.231 5.581 -7.053 1.00 50.11 C ATOM 377 CD GLU A 24 19.641 5.448 -6.525 1.00 14.54 C ATOM 378 OE1 GLU A 24 20.056 4.312 -6.222 1.00 55.24 O ATOM 379 OE2 GLU A 24 20.337 6.479 -6.408 1.00 51.12 O ATOM 0 H GLU A 24 14.475 7.400 -5.841 1.00 42.12 H new ATOM 0 HA GLU A 24 15.765 6.450 -7.357 1.00 40.33 H new ATOM 0 HB2 GLU A 24 17.465 6.688 -5.394 1.00 31.52 H new ATOM 0 HB3 GLU A 24 17.300 4.951 -5.236 1.00 31.52 H new ATOM 0 HG2 GLU A 24 17.973 4.689 -7.623 1.00 50.11 H new ATOM 0 HG3 GLU A 24 18.181 6.425 -7.741 1.00 50.11 H new ATOM 386 N SER A 25 14.086 4.462 -7.434 1.00 11.00 N ATOM 387 CA SER A 25 13.419 3.227 -7.805 1.00 24.24 C ATOM 388 C SER A 25 12.681 3.434 -9.121 1.00 62.43 C ATOM 389 O SER A 25 12.452 4.576 -9.532 1.00 34.14 O ATOM 390 CB SER A 25 12.421 2.827 -6.715 1.00 73.25 C ATOM 391 OG SER A 25 11.964 1.496 -6.884 1.00 50.32 O ATOM 0 H SER A 25 13.608 5.304 -7.755 1.00 11.00 H new ATOM 0 HA SER A 25 14.159 2.434 -7.918 1.00 24.24 H new ATOM 0 HB2 SER A 25 12.891 2.929 -5.737 1.00 73.25 H new ATOM 0 HB3 SER A 25 11.571 3.509 -6.733 1.00 73.25 H new ATOM 0 HG SER A 25 11.691 1.131 -6.016 1.00 50.32 H new ATOM 397 N LYS A 26 12.311 2.347 -9.783 1.00 51.42 N ATOM 398 CA LYS A 26 11.506 2.443 -10.993 1.00 51.44 C ATOM 399 C LYS A 26 10.078 2.817 -10.626 1.00 40.43 C ATOM 400 O LYS A 26 9.473 3.706 -11.228 1.00 74.25 O ATOM 401 CB LYS A 26 11.497 1.117 -11.758 1.00 11.15 C ATOM 402 CG LYS A 26 12.871 0.613 -12.161 1.00 61.54 C ATOM 403 CD LYS A 26 13.595 1.594 -13.067 1.00 72.53 C ATOM 404 CE LYS A 26 14.908 1.017 -13.571 1.00 21.44 C ATOM 405 NZ LYS A 26 15.784 0.560 -12.460 1.00 21.40 N ATOM 0 H LYS A 26 12.553 1.396 -9.506 1.00 51.42 H new ATOM 0 HA LYS A 26 11.944 3.210 -11.632 1.00 51.44 H new ATOM 0 HB2 LYS A 26 11.013 0.360 -11.141 1.00 11.15 H new ATOM 0 HB3 LYS A 26 10.889 1.234 -12.655 1.00 11.15 H new ATOM 0 HG2 LYS A 26 13.469 0.437 -11.267 1.00 61.54 H new ATOM 0 HG3 LYS A 26 12.770 -0.345 -12.671 1.00 61.54 H new ATOM 0 HD2 LYS A 26 12.958 1.848 -13.914 1.00 72.53 H new ATOM 0 HD3 LYS A 26 13.787 2.520 -12.524 1.00 72.53 H new ATOM 0 HE2 LYS A 26 14.703 0.179 -14.238 1.00 21.44 H new ATOM 0 HE3 LYS A 26 15.432 1.771 -14.158 1.00 21.44 H new ATOM 0 HZ1 LYS A 26 16.728 0.333 -12.833 1.00 21.40 H new ATOM 0 HZ2 LYS A 26 15.865 1.314 -11.749 1.00 21.40 H new ATOM 0 HZ3 LYS A 26 15.373 -0.288 -12.020 1.00 21.40 H new ATOM 419 N VAL A 27 9.558 2.150 -9.605 1.00 55.44 N ATOM 420 CA VAL A 27 8.178 2.338 -9.192 1.00 10.44 C ATOM 421 C VAL A 27 8.007 3.612 -8.370 1.00 63.11 C ATOM 422 O VAL A 27 6.903 4.142 -8.272 1.00 53.41 O ATOM 423 CB VAL A 27 7.652 1.120 -8.405 1.00 1.01 C ATOM 424 CG1 VAL A 27 7.616 -0.107 -9.302 1.00 21.10 C ATOM 425 CG2 VAL A 27 8.507 0.854 -7.178 1.00 42.35 C ATOM 0 H VAL A 27 10.075 1.471 -9.046 1.00 55.44 H new ATOM 0 HA VAL A 27 7.587 2.438 -10.102 1.00 10.44 H new ATOM 0 HB VAL A 27 6.639 1.342 -8.069 1.00 1.01 H new ATOM 0 HG11 VAL A 27 7.243 -0.961 -8.736 1.00 21.10 H new ATOM 0 HG12 VAL A 27 6.958 0.082 -10.150 1.00 21.10 H new ATOM 0 HG13 VAL A 27 8.621 -0.323 -9.664 1.00 21.10 H new ATOM 0 HG21 VAL A 27 8.114 -0.010 -6.641 1.00 42.35 H new ATOM 0 HG22 VAL A 27 9.533 0.654 -7.486 1.00 42.35 H new ATOM 0 HG23 VAL A 27 8.488 1.727 -6.525 1.00 42.35 H new ATOM 435 N ARG A 28 9.106 4.112 -7.799 1.00 44.05 N ATOM 436 CA ARG A 28 9.095 5.394 -7.092 1.00 10.11 C ATOM 437 C ARG A 28 8.460 6.467 -7.981 1.00 62.32 C ATOM 438 O ARG A 28 7.635 7.262 -7.532 1.00 52.23 O ATOM 439 CB ARG A 28 10.533 5.786 -6.695 1.00 51.12 C ATOM 440 CG ARG A 28 10.646 7.005 -5.783 1.00 34.22 C ATOM 441 CD ARG A 28 10.556 8.313 -6.556 1.00 70.23 C ATOM 442 NE ARG A 28 10.718 9.481 -5.692 1.00 41.42 N ATOM 443 CZ ARG A 28 10.172 10.674 -5.941 1.00 61.11 C ATOM 444 NH1 ARG A 28 9.430 10.857 -7.025 1.00 2.44 N ATOM 445 NH2 ARG A 28 10.376 11.690 -5.113 1.00 52.44 N ATOM 0 H ARG A 28 10.014 3.648 -7.813 1.00 44.05 H new ATOM 0 HA ARG A 28 8.502 5.305 -6.182 1.00 10.11 H new ATOM 0 HB2 ARG A 28 11.000 4.936 -6.198 1.00 51.12 H new ATOM 0 HB3 ARG A 28 11.104 5.978 -7.603 1.00 51.12 H new ATOM 0 HG2 ARG A 28 9.853 6.972 -5.035 1.00 34.22 H new ATOM 0 HG3 ARG A 28 11.593 6.967 -5.245 1.00 34.22 H new ATOM 0 HD2 ARG A 28 11.323 8.328 -7.331 1.00 70.23 H new ATOM 0 HD3 ARG A 28 9.592 8.368 -7.061 1.00 70.23 H new ATOM 0 HE ARG A 28 11.282 9.379 -4.848 1.00 41.42 H new ATOM 0 HH11 ARG A 28 9.274 10.085 -7.673 1.00 2.44 H new ATOM 0 HH12 ARG A 28 9.015 11.770 -7.211 1.00 2.44 H new ATOM 0 HH21 ARG A 28 10.952 11.562 -4.281 1.00 52.44 H new ATOM 0 HH22 ARG A 28 9.957 12.599 -5.308 1.00 52.44 H new ATOM 459 N ARG A 29 8.849 6.464 -9.250 1.00 62.13 N ATOM 460 CA ARG A 29 8.290 7.383 -10.237 1.00 10.54 C ATOM 461 C ARG A 29 6.853 6.994 -10.581 1.00 65.13 C ATOM 462 O ARG A 29 5.964 7.839 -10.644 1.00 71.52 O ATOM 463 CB ARG A 29 9.153 7.364 -11.504 1.00 21.15 C ATOM 464 CG ARG A 29 8.675 8.300 -12.604 1.00 22.35 C ATOM 465 CD ARG A 29 8.876 9.756 -12.227 1.00 2.21 C ATOM 466 NE ARG A 29 8.567 10.649 -13.342 1.00 34.35 N ATOM 467 CZ ARG A 29 9.406 11.572 -13.811 1.00 71.23 C ATOM 468 NH1 ARG A 29 10.602 11.732 -13.255 1.00 13.23 N ATOM 469 NH2 ARG A 29 9.055 12.328 -14.843 1.00 35.22 N ATOM 0 H ARG A 29 9.555 5.830 -9.623 1.00 62.13 H new ATOM 0 HA ARG A 29 8.284 8.388 -9.816 1.00 10.54 H new ATOM 0 HB2 ARG A 29 10.176 7.630 -11.236 1.00 21.15 H new ATOM 0 HB3 ARG A 29 9.180 6.347 -11.895 1.00 21.15 H new ATOM 0 HG2 ARG A 29 9.215 8.085 -13.526 1.00 22.35 H new ATOM 0 HG3 ARG A 29 7.619 8.118 -12.804 1.00 22.35 H new ATOM 0 HD2 ARG A 29 8.241 10.003 -11.376 1.00 2.21 H new ATOM 0 HD3 ARG A 29 9.908 9.911 -11.911 1.00 2.21 H new ATOM 0 HE ARG A 29 7.654 10.560 -13.788 1.00 34.35 H new ATOM 0 HH11 ARG A 29 10.880 11.147 -12.467 1.00 13.23 H new ATOM 0 HH12 ARG A 29 11.242 12.439 -13.616 1.00 13.23 H new ATOM 0 HH21 ARG A 29 8.141 12.203 -15.279 1.00 35.22 H new ATOM 0 HH22 ARG A 29 9.699 13.034 -15.200 1.00 35.22 H new ATOM 483 N LYS A 30 6.645 5.699 -10.777 1.00 4.14 N ATOM 484 CA LYS A 30 5.361 5.153 -11.217 1.00 1.44 C ATOM 485 C LYS A 30 4.238 5.461 -10.223 1.00 62.12 C ATOM 486 O LYS A 30 3.147 5.882 -10.609 1.00 21.44 O ATOM 487 CB LYS A 30 5.505 3.640 -11.389 1.00 35.12 C ATOM 488 CG LYS A 30 4.329 2.964 -12.069 1.00 63.15 C ATOM 489 CD LYS A 30 4.601 1.488 -12.302 1.00 35.52 C ATOM 490 CE LYS A 30 3.408 0.792 -12.934 1.00 34.23 C ATOM 491 NZ LYS A 30 2.214 0.814 -12.046 1.00 52.13 N ATOM 0 H LYS A 30 7.365 4.990 -10.635 1.00 4.14 H new ATOM 0 HA LYS A 30 5.092 5.622 -12.163 1.00 1.44 H new ATOM 0 HB2 LYS A 30 6.407 3.438 -11.967 1.00 35.12 H new ATOM 0 HB3 LYS A 30 5.648 3.188 -10.407 1.00 35.12 H new ATOM 0 HG2 LYS A 30 3.436 3.079 -11.455 1.00 63.15 H new ATOM 0 HG3 LYS A 30 4.126 3.454 -13.022 1.00 63.15 H new ATOM 0 HD2 LYS A 30 5.472 1.376 -12.947 1.00 35.52 H new ATOM 0 HD3 LYS A 30 4.843 1.008 -11.354 1.00 35.52 H new ATOM 0 HE2 LYS A 30 3.165 1.276 -13.880 1.00 34.23 H new ATOM 0 HE3 LYS A 30 3.670 -0.241 -13.163 1.00 34.23 H new ATOM 0 HZ1 LYS A 30 1.566 0.046 -12.316 1.00 52.13 H new ATOM 0 HZ2 LYS A 30 2.513 0.683 -11.059 1.00 52.13 H new ATOM 0 HZ3 LYS A 30 1.727 1.728 -12.142 1.00 52.13 H new ATOM 505 N ILE A 31 4.517 5.249 -8.946 1.00 62.45 N ATOM 506 CA ILE A 31 3.525 5.451 -7.895 1.00 72.23 C ATOM 507 C ILE A 31 3.191 6.931 -7.729 1.00 0.32 C ATOM 508 O ILE A 31 2.025 7.302 -7.570 1.00 53.01 O ATOM 509 CB ILE A 31 4.026 4.871 -6.554 1.00 52.12 C ATOM 510 CG1 ILE A 31 4.371 3.388 -6.726 1.00 24.02 C ATOM 511 CG2 ILE A 31 2.979 5.056 -5.463 1.00 70.42 C ATOM 512 CD1 ILE A 31 5.147 2.808 -5.567 1.00 63.13 C ATOM 0 H ILE A 31 5.427 4.935 -8.609 1.00 62.45 H new ATOM 0 HA ILE A 31 2.618 4.925 -8.192 1.00 72.23 H new ATOM 0 HB ILE A 31 4.925 5.409 -6.252 1.00 52.12 H new ATOM 0 HG12 ILE A 31 3.448 2.822 -6.854 1.00 24.02 H new ATOM 0 HG13 ILE A 31 4.952 3.262 -7.640 1.00 24.02 H new ATOM 0 HG21 ILE A 31 3.352 4.641 -4.527 1.00 70.42 H new ATOM 0 HG22 ILE A 31 2.774 6.118 -5.332 1.00 70.42 H new ATOM 0 HG23 ILE A 31 2.061 4.541 -5.748 1.00 70.42 H new ATOM 0 HD11 ILE A 31 5.355 1.755 -5.759 1.00 63.13 H new ATOM 0 HD12 ILE A 31 6.086 3.349 -5.451 1.00 63.13 H new ATOM 0 HD13 ILE A 31 4.560 2.901 -4.653 1.00 63.13 H new ATOM 524 N MET A 32 4.207 7.781 -7.789 1.00 75.40 N ATOM 525 CA MET A 32 3.983 9.218 -7.670 1.00 30.52 C ATOM 526 C MET A 32 3.321 9.758 -8.932 1.00 73.43 C ATOM 527 O MET A 32 2.589 10.748 -8.886 1.00 63.52 O ATOM 528 CB MET A 32 5.285 9.966 -7.385 1.00 64.44 C ATOM 529 CG MET A 32 5.123 11.043 -6.321 1.00 42.13 C ATOM 530 SD MET A 32 6.652 11.928 -5.974 1.00 12.22 S ATOM 531 CE MET A 32 6.096 13.063 -4.705 1.00 75.50 C ATOM 0 H MET A 32 5.181 7.508 -7.917 1.00 75.40 H new ATOM 0 HA MET A 32 3.315 9.383 -6.824 1.00 30.52 H new ATOM 0 HB2 MET A 32 6.045 9.254 -7.063 1.00 64.44 H new ATOM 0 HB3 MET A 32 5.646 10.423 -8.306 1.00 64.44 H new ATOM 0 HG2 MET A 32 4.364 11.755 -6.645 1.00 42.13 H new ATOM 0 HG3 MET A 32 4.758 10.585 -5.401 1.00 42.13 H new ATOM 0 HE1 MET A 32 6.931 13.685 -4.382 1.00 75.50 H new ATOM 0 HE2 MET A 32 5.304 13.697 -5.105 1.00 75.50 H new ATOM 0 HE3 MET A 32 5.714 12.499 -3.854 1.00 75.50 H new ATOM 541 N ASP A 33 3.581 9.101 -10.057 1.00 4.21 N ATOM 542 CA ASP A 33 2.922 9.429 -11.319 1.00 0.35 C ATOM 543 C ASP A 33 1.418 9.239 -11.184 1.00 22.43 C ATOM 544 O ASP A 33 0.626 10.032 -11.700 1.00 34.04 O ATOM 545 CB ASP A 33 3.463 8.539 -12.440 1.00 2.15 C ATOM 546 CG ASP A 33 2.852 8.861 -13.787 1.00 40.32 C ATOM 547 OD1 ASP A 33 3.396 9.738 -14.489 1.00 34.31 O ATOM 548 OD2 ASP A 33 1.833 8.234 -14.155 1.00 2.11 O ATOM 0 H ASP A 33 4.248 8.332 -10.122 1.00 4.21 H new ATOM 0 HA ASP A 33 3.127 10.471 -11.565 1.00 0.35 H new ATOM 0 HB2 ASP A 33 4.545 8.654 -12.500 1.00 2.15 H new ATOM 0 HB3 ASP A 33 3.266 7.495 -12.197 1.00 2.15 H new ATOM 553 N MET A 34 1.041 8.183 -10.467 1.00 40.14 N ATOM 554 CA MET A 34 -0.360 7.894 -10.166 1.00 41.12 C ATOM 555 C MET A 34 -1.028 9.065 -9.452 1.00 21.54 C ATOM 556 O MET A 34 -2.232 9.287 -9.593 1.00 3.00 O ATOM 557 CB MET A 34 -0.460 6.634 -9.301 1.00 12.30 C ATOM 558 CG MET A 34 -0.601 5.351 -10.095 1.00 33.04 C ATOM 559 SD MET A 34 -2.153 5.275 -11.007 1.00 25.23 S ATOM 560 CE MET A 34 -2.079 3.611 -11.659 1.00 55.51 C ATOM 0 H MET A 34 1.696 7.504 -10.079 1.00 40.14 H new ATOM 0 HA MET A 34 -0.880 7.731 -11.110 1.00 41.12 H new ATOM 0 HB2 MET A 34 0.429 6.565 -8.673 1.00 12.30 H new ATOM 0 HB3 MET A 34 -1.315 6.731 -8.633 1.00 12.30 H new ATOM 0 HG2 MET A 34 0.232 5.265 -10.793 1.00 33.04 H new ATOM 0 HG3 MET A 34 -0.538 4.499 -9.418 1.00 33.04 H new ATOM 0 HE1 MET A 34 -2.973 3.411 -12.249 1.00 55.51 H new ATOM 0 HE2 MET A 34 -1.197 3.506 -12.290 1.00 55.51 H new ATOM 0 HE3 MET A 34 -2.022 2.900 -10.835 1.00 55.51 H new ATOM 570 N GLY A 35 -0.239 9.820 -8.702 1.00 33.33 N ATOM 571 CA GLY A 35 -0.772 10.950 -7.971 1.00 22.01 C ATOM 572 C GLY A 35 -0.858 10.674 -6.486 1.00 34.32 C ATOM 573 O GLY A 35 -1.511 11.412 -5.746 1.00 52.04 O ATOM 0 H GLY A 35 0.763 9.669 -8.587 1.00 33.33 H new ATOM 0 HA2 GLY A 35 -0.141 11.822 -8.142 1.00 22.01 H new ATOM 0 HA3 GLY A 35 -1.763 11.194 -8.353 1.00 22.01 H new ATOM 577 N ILE A 36 -0.205 9.606 -6.050 1.00 2.14 N ATOM 578 CA ILE A 36 -0.198 9.237 -4.644 1.00 60.15 C ATOM 579 C ILE A 36 0.982 9.894 -3.941 1.00 63.04 C ATOM 580 O ILE A 36 2.102 9.887 -4.453 1.00 23.01 O ATOM 581 CB ILE A 36 -0.115 7.707 -4.461 1.00 32.52 C ATOM 582 CG1 ILE A 36 -1.221 7.019 -5.266 1.00 74.41 C ATOM 583 CG2 ILE A 36 -0.221 7.337 -2.987 1.00 20.20 C ATOM 584 CD1 ILE A 36 -1.091 5.510 -5.320 1.00 75.33 C ATOM 0 H ILE A 36 0.328 8.979 -6.653 1.00 2.14 H new ATOM 0 HA ILE A 36 -1.133 9.584 -4.205 1.00 60.15 H new ATOM 0 HB ILE A 36 0.852 7.365 -4.831 1.00 32.52 H new ATOM 0 HG12 ILE A 36 -2.187 7.276 -4.831 1.00 74.41 H new ATOM 0 HG13 ILE A 36 -1.215 7.411 -6.283 1.00 74.41 H new ATOM 0 HG21 ILE A 36 -0.160 6.254 -2.878 1.00 20.20 H new ATOM 0 HG22 ILE A 36 0.595 7.803 -2.435 1.00 20.20 H new ATOM 0 HG23 ILE A 36 -1.174 7.689 -2.591 1.00 20.20 H new ATOM 0 HD11 ILE A 36 -1.910 5.095 -5.907 1.00 75.33 H new ATOM 0 HD12 ILE A 36 -0.141 5.243 -5.783 1.00 75.33 H new ATOM 0 HD13 ILE A 36 -1.128 5.105 -4.309 1.00 75.33 H new ATOM 596 N VAL A 37 0.720 10.469 -2.780 1.00 44.11 N ATOM 597 CA VAL A 37 1.747 11.167 -2.018 1.00 72.34 C ATOM 598 C VAL A 37 1.637 10.828 -0.537 1.00 12.44 C ATOM 599 O VAL A 37 0.787 10.029 -0.136 1.00 43.25 O ATOM 600 CB VAL A 37 1.653 12.701 -2.196 1.00 34.12 C ATOM 601 CG1 VAL A 37 1.995 13.109 -3.620 1.00 71.31 C ATOM 602 CG2 VAL A 37 0.268 13.204 -1.818 1.00 14.14 C ATOM 0 H VAL A 37 -0.200 10.467 -2.340 1.00 44.11 H new ATOM 0 HA VAL A 37 2.711 10.834 -2.402 1.00 72.34 H new ATOM 0 HB VAL A 37 2.382 13.159 -1.527 1.00 34.12 H new ATOM 0 HG11 VAL A 37 1.921 14.192 -3.716 1.00 71.31 H new ATOM 0 HG12 VAL A 37 3.011 12.793 -3.855 1.00 71.31 H new ATOM 0 HG13 VAL A 37 1.299 12.635 -4.312 1.00 71.31 H new ATOM 0 HG21 VAL A 37 0.225 14.285 -1.951 1.00 14.14 H new ATOM 0 HG22 VAL A 37 -0.478 12.730 -2.456 1.00 14.14 H new ATOM 0 HG23 VAL A 37 0.063 12.958 -0.776 1.00 14.14 H new ATOM 612 N ARG A 38 2.492 11.437 0.271 1.00 60.52 N ATOM 613 CA ARG A 38 2.465 11.224 1.707 1.00 52.25 C ATOM 614 C ARG A 38 1.158 11.744 2.289 1.00 22.00 C ATOM 615 O ARG A 38 0.742 12.866 1.996 1.00 74.11 O ATOM 616 CB ARG A 38 3.634 11.936 2.380 1.00 52.40 C ATOM 617 CG ARG A 38 3.751 11.633 3.865 1.00 71.25 C ATOM 618 CD ARG A 38 4.746 12.555 4.548 1.00 20.14 C ATOM 619 NE ARG A 38 4.253 13.928 4.631 1.00 73.11 N ATOM 620 CZ ARG A 38 4.951 14.938 5.136 1.00 44.44 C ATOM 621 NH1 ARG A 38 6.202 14.749 5.543 1.00 32.12 N ATOM 622 NH2 ARG A 38 4.401 16.140 5.222 1.00 71.30 N ATOM 0 H ARG A 38 3.214 12.084 -0.046 1.00 60.52 H new ATOM 0 HA ARG A 38 2.547 10.153 1.893 1.00 52.25 H new ATOM 0 HB2 ARG A 38 4.560 11.647 1.884 1.00 52.40 H new ATOM 0 HB3 ARG A 38 3.522 13.012 2.244 1.00 52.40 H new ATOM 0 HG2 ARG A 38 2.774 11.738 4.336 1.00 71.25 H new ATOM 0 HG3 ARG A 38 4.061 10.597 4.002 1.00 71.25 H new ATOM 0 HD2 ARG A 38 4.955 12.184 5.551 1.00 20.14 H new ATOM 0 HD3 ARG A 38 5.688 12.541 4.000 1.00 20.14 H new ATOM 0 HE ARG A 38 3.315 14.122 4.279 1.00 73.11 H new ATOM 0 HH11 ARG A 38 6.629 13.826 5.468 1.00 32.12 H new ATOM 0 HH12 ARG A 38 6.735 15.527 5.930 1.00 32.12 H new ATOM 0 HH21 ARG A 38 3.444 16.287 4.901 1.00 71.30 H new ATOM 0 HH22 ARG A 38 4.934 16.918 5.609 1.00 71.30 H new ATOM 636 N GLY A 39 0.515 10.928 3.103 1.00 13.04 N ATOM 637 CA GLY A 39 -0.714 11.344 3.741 1.00 74.40 C ATOM 638 C GLY A 39 -1.936 10.713 3.113 1.00 33.43 C ATOM 639 O GLY A 39 -2.986 10.624 3.749 1.00 64.24 O ATOM 0 H GLY A 39 0.821 9.983 3.335 1.00 13.04 H new ATOM 0 HA2 GLY A 39 -0.677 11.082 4.798 1.00 74.40 H new ATOM 0 HA3 GLY A 39 -0.800 12.429 3.684 1.00 74.40 H new ATOM 643 N THR A 40 -1.803 10.265 1.871 1.00 72.50 N ATOM 644 CA THR A 40 -2.907 9.630 1.174 1.00 54.34 C ATOM 645 C THR A 40 -3.235 8.282 1.815 1.00 14.43 C ATOM 646 O THR A 40 -2.346 7.585 2.318 1.00 22.14 O ATOM 647 CB THR A 40 -2.583 9.424 -0.317 1.00 43.23 C ATOM 648 OG1 THR A 40 -2.021 10.629 -0.854 1.00 24.10 O ATOM 649 CG2 THR A 40 -3.833 9.058 -1.107 1.00 42.44 C ATOM 0 H THR A 40 -0.942 10.331 1.329 1.00 72.50 H new ATOM 0 HA THR A 40 -3.770 10.291 1.253 1.00 54.34 H new ATOM 0 HB THR A 40 -1.869 8.604 -0.401 1.00 43.23 H new ATOM 0 HG1 THR A 40 -1.069 10.675 -0.627 1.00 24.10 H new ATOM 0 HG21 THR A 40 -3.573 8.919 -2.156 1.00 42.44 H new ATOM 0 HG22 THR A 40 -4.255 8.134 -0.712 1.00 42.44 H new ATOM 0 HG23 THR A 40 -4.567 9.859 -1.018 1.00 42.44 H new ATOM 657 N GLU A 41 -4.510 7.928 1.800 1.00 14.52 N ATOM 658 CA GLU A 41 -4.967 6.699 2.410 1.00 30.12 C ATOM 659 C GLU A 41 -5.071 5.591 1.382 1.00 3.50 C ATOM 660 O GLU A 41 -5.637 5.767 0.301 1.00 12.12 O ATOM 661 CB GLU A 41 -6.315 6.910 3.092 1.00 13.32 C ATOM 662 CG GLU A 41 -6.230 7.702 4.385 1.00 53.42 C ATOM 663 CD GLU A 41 -7.562 7.800 5.094 1.00 21.21 C ATOM 664 OE1 GLU A 41 -8.210 6.749 5.303 1.00 31.41 O ATOM 665 OE2 GLU A 41 -7.967 8.921 5.460 1.00 24.32 O ATOM 0 H GLU A 41 -5.249 8.482 1.367 1.00 14.52 H new ATOM 0 HA GLU A 41 -4.235 6.404 3.162 1.00 30.12 H new ATOM 0 HB2 GLU A 41 -6.983 7.427 2.403 1.00 13.32 H new ATOM 0 HB3 GLU A 41 -6.762 5.938 3.301 1.00 13.32 H new ATOM 0 HG2 GLU A 41 -5.503 7.232 5.048 1.00 53.42 H new ATOM 0 HG3 GLU A 41 -5.863 8.705 4.169 1.00 53.42 H new ATOM 672 N ILE A 42 -4.520 4.450 1.735 1.00 22.35 N ATOM 673 CA ILE A 42 -4.483 3.301 0.853 1.00 53.32 C ATOM 674 C ILE A 42 -5.192 2.129 1.517 1.00 63.55 C ATOM 675 O ILE A 42 -4.832 1.727 2.622 1.00 74.13 O ATOM 676 CB ILE A 42 -3.026 2.908 0.533 1.00 45.42 C ATOM 677 CG1 ILE A 42 -2.257 4.092 -0.066 1.00 4.53 C ATOM 678 CG2 ILE A 42 -2.980 1.710 -0.408 1.00 20.51 C ATOM 679 CD1 ILE A 42 -2.852 4.633 -1.349 1.00 45.13 C ATOM 0 H ILE A 42 -4.084 4.291 2.643 1.00 22.35 H new ATOM 0 HA ILE A 42 -4.987 3.559 -0.078 1.00 53.32 H new ATOM 0 HB ILE A 42 -2.543 2.627 1.469 1.00 45.42 H new ATOM 0 HG12 ILE A 42 -2.218 4.895 0.670 1.00 4.53 H new ATOM 0 HG13 ILE A 42 -1.229 3.784 -0.257 1.00 4.53 H new ATOM 0 HG21 ILE A 42 -1.942 1.452 -0.618 1.00 20.51 H new ATOM 0 HG22 ILE A 42 -3.477 0.860 0.060 1.00 20.51 H new ATOM 0 HG23 ILE A 42 -3.488 1.959 -1.340 1.00 20.51 H new ATOM 0 HD11 ILE A 42 -2.249 5.468 -1.706 1.00 45.13 H new ATOM 0 HD12 ILE A 42 -2.866 3.846 -2.104 1.00 45.13 H new ATOM 0 HD13 ILE A 42 -3.870 4.975 -1.162 1.00 45.13 H new ATOM 691 N TYR A 43 -6.207 1.597 0.861 1.00 32.53 N ATOM 692 CA TYR A 43 -6.960 0.491 1.424 1.00 54.34 C ATOM 693 C TYR A 43 -6.536 -0.809 0.759 1.00 24.41 C ATOM 694 O TYR A 43 -6.680 -0.976 -0.451 1.00 55.12 O ATOM 695 CB TYR A 43 -8.465 0.710 1.248 1.00 4.45 C ATOM 696 CG TYR A 43 -9.317 -0.143 2.165 1.00 73.43 C ATOM 697 CD1 TYR A 43 -9.562 -1.485 1.883 1.00 55.31 C ATOM 698 CD2 TYR A 43 -9.879 0.394 3.318 1.00 11.04 C ATOM 699 CE1 TYR A 43 -10.338 -2.260 2.723 1.00 52.35 C ATOM 700 CE2 TYR A 43 -10.655 -0.378 4.162 1.00 44.34 C ATOM 701 CZ TYR A 43 -10.883 -1.700 3.858 1.00 32.21 C ATOM 702 OH TYR A 43 -11.657 -2.470 4.695 1.00 41.42 O ATOM 0 H TYR A 43 -6.527 1.910 -0.055 1.00 32.53 H new ATOM 0 HA TYR A 43 -6.749 0.434 2.492 1.00 54.34 H new ATOM 0 HB2 TYR A 43 -8.694 1.761 1.428 1.00 4.45 H new ATOM 0 HB3 TYR A 43 -8.735 0.497 0.214 1.00 4.45 H new ATOM 0 HD1 TYR A 43 -9.138 -1.927 0.993 1.00 55.31 H new ATOM 0 HD2 TYR A 43 -9.706 1.433 3.558 1.00 11.04 H new ATOM 0 HE1 TYR A 43 -10.517 -3.300 2.491 1.00 52.35 H new ATOM 0 HE2 TYR A 43 -11.080 0.055 5.056 1.00 44.34 H new ATOM 0 HH TYR A 43 -11.964 -1.925 5.450 1.00 41.42 H new ATOM 712 N ILE A 44 -6.004 -1.720 1.551 1.00 62.03 N ATOM 713 CA ILE A 44 -5.567 -3.007 1.043 1.00 1.42 C ATOM 714 C ILE A 44 -6.746 -3.964 1.006 1.00 44.34 C ATOM 715 O ILE A 44 -7.143 -4.509 2.034 1.00 2.43 O ATOM 716 CB ILE A 44 -4.449 -3.618 1.913 1.00 70.32 C ATOM 717 CG1 ILE A 44 -3.395 -2.560 2.260 1.00 25.23 C ATOM 718 CG2 ILE A 44 -3.803 -4.798 1.200 1.00 73.31 C ATOM 719 CD1 ILE A 44 -2.742 -1.919 1.055 1.00 24.14 C ATOM 0 H ILE A 44 -5.863 -1.592 2.553 1.00 62.03 H new ATOM 0 HA ILE A 44 -5.169 -2.850 0.040 1.00 1.42 H new ATOM 0 HB ILE A 44 -4.895 -3.976 2.841 1.00 70.32 H new ATOM 0 HG12 ILE A 44 -3.862 -1.782 2.863 1.00 25.23 H new ATOM 0 HG13 ILE A 44 -2.623 -3.021 2.876 1.00 25.23 H new ATOM 0 HG21 ILE A 44 -3.017 -5.217 1.828 1.00 73.31 H new ATOM 0 HG22 ILE A 44 -4.556 -5.561 1.004 1.00 73.31 H new ATOM 0 HG23 ILE A 44 -3.373 -4.462 0.256 1.00 73.31 H new ATOM 0 HD11 ILE A 44 -2.010 -1.183 1.387 1.00 24.14 H new ATOM 0 HD12 ILE A 44 -2.243 -2.685 0.461 1.00 24.14 H new ATOM 0 HD13 ILE A 44 -3.502 -1.427 0.448 1.00 24.14 H new ATOM 731 N GLU A 45 -7.321 -4.136 -0.172 1.00 32.23 N ATOM 732 CA GLU A 45 -8.484 -4.991 -0.333 1.00 73.33 C ATOM 733 C GLU A 45 -8.056 -6.449 -0.207 1.00 41.31 C ATOM 734 O GLU A 45 -8.709 -7.250 0.464 1.00 43.35 O ATOM 735 CB GLU A 45 -9.142 -4.709 -1.690 1.00 55.24 C ATOM 736 CG GLU A 45 -10.658 -4.824 -1.691 1.00 44.21 C ATOM 737 CD GLU A 45 -11.152 -6.241 -1.886 1.00 73.42 C ATOM 738 OE1 GLU A 45 -11.304 -6.972 -0.889 1.00 60.23 O ATOM 739 OE2 GLU A 45 -11.404 -6.626 -3.047 1.00 34.52 O ATOM 0 H GLU A 45 -7.000 -3.693 -1.033 1.00 32.23 H new ATOM 0 HA GLU A 45 -9.219 -4.784 0.445 1.00 73.33 H new ATOM 0 HB2 GLU A 45 -8.866 -3.705 -2.012 1.00 55.24 H new ATOM 0 HB3 GLU A 45 -8.737 -5.402 -2.427 1.00 55.24 H new ATOM 0 HG2 GLU A 45 -11.045 -4.439 -0.748 1.00 44.21 H new ATOM 0 HG3 GLU A 45 -11.062 -4.194 -2.483 1.00 44.21 H new ATOM 746 N GLY A 46 -6.926 -6.769 -0.817 1.00 13.43 N ATOM 747 CA GLY A 46 -6.379 -8.106 -0.737 1.00 45.03 C ATOM 748 C GLY A 46 -5.228 -8.284 -1.696 1.00 45.31 C ATOM 749 O GLY A 46 -4.742 -7.310 -2.261 1.00 64.41 O ATOM 0 H GLY A 46 -6.372 -6.117 -1.373 1.00 13.43 H new ATOM 0 HA2 GLY A 46 -6.042 -8.303 0.281 1.00 45.03 H new ATOM 0 HA3 GLY A 46 -7.158 -8.834 -0.961 1.00 45.03 H new ATOM 753 N LYS A 47 -4.776 -9.510 -1.881 1.00 44.43 N ATOM 754 CA LYS A 47 -3.735 -9.794 -2.855 1.00 43.41 C ATOM 755 C LYS A 47 -3.973 -11.165 -3.462 1.00 0.51 C ATOM 756 O LYS A 47 -4.733 -11.963 -2.909 1.00 64.30 O ATOM 757 CB LYS A 47 -2.328 -9.732 -2.234 1.00 4.31 C ATOM 758 CG LYS A 47 -2.008 -10.873 -1.277 1.00 15.40 C ATOM 759 CD LYS A 47 -2.235 -10.496 0.182 1.00 52.34 C ATOM 760 CE LYS A 47 -1.359 -9.320 0.601 1.00 42.34 C ATOM 761 NZ LYS A 47 -1.092 -9.317 2.069 1.00 35.24 N ATOM 0 H LYS A 47 -5.112 -10.326 -1.370 1.00 44.43 H new ATOM 0 HA LYS A 47 -3.782 -9.028 -3.629 1.00 43.41 H new ATOM 0 HB2 LYS A 47 -1.590 -9.730 -3.037 1.00 4.31 H new ATOM 0 HB3 LYS A 47 -2.221 -8.787 -1.701 1.00 4.31 H new ATOM 0 HG2 LYS A 47 -2.627 -11.735 -1.526 1.00 15.40 H new ATOM 0 HG3 LYS A 47 -0.970 -11.176 -1.413 1.00 15.40 H new ATOM 0 HD2 LYS A 47 -3.284 -10.241 0.334 1.00 52.34 H new ATOM 0 HD3 LYS A 47 -2.021 -11.355 0.818 1.00 52.34 H new ATOM 0 HE2 LYS A 47 -0.413 -9.362 0.061 1.00 42.34 H new ATOM 0 HE3 LYS A 47 -1.846 -8.387 0.319 1.00 42.34 H new ATOM 0 HZ1 LYS A 47 -0.966 -8.338 2.397 1.00 35.24 H new ATOM 0 HZ2 LYS A 47 -1.895 -9.749 2.569 1.00 35.24 H new ATOM 0 HZ3 LYS A 47 -0.228 -9.862 2.266 1.00 35.24 H new ATOM 775 N ALA A 48 -3.335 -11.427 -4.596 1.00 32.24 N ATOM 776 CA ALA A 48 -3.418 -12.733 -5.236 1.00 30.55 C ATOM 777 C ALA A 48 -2.858 -13.814 -4.311 1.00 42.44 C ATOM 778 O ALA A 48 -2.116 -13.503 -3.382 1.00 23.03 O ATOM 779 CB ALA A 48 -2.663 -12.715 -6.558 1.00 25.55 C ATOM 0 H ALA A 48 -2.754 -10.751 -5.092 1.00 32.24 H new ATOM 0 HA ALA A 48 -4.465 -12.962 -5.436 1.00 30.55 H new ATOM 0 HB1 ALA A 48 -2.731 -13.696 -7.029 1.00 25.55 H new ATOM 0 HB2 ALA A 48 -3.101 -11.965 -7.217 1.00 25.55 H new ATOM 0 HB3 ALA A 48 -1.616 -12.471 -6.376 1.00 25.55 H new ATOM 785 N PRO A 49 -3.198 -15.096 -4.547 1.00 11.20 N ATOM 786 CA PRO A 49 -2.741 -16.217 -3.710 1.00 12.42 C ATOM 787 C PRO A 49 -1.222 -16.258 -3.522 1.00 73.53 C ATOM 788 O PRO A 49 -0.730 -16.783 -2.524 1.00 34.34 O ATOM 789 CB PRO A 49 -3.211 -17.465 -4.472 1.00 4.03 C ATOM 790 CG PRO A 49 -3.622 -16.981 -5.820 1.00 0.40 C ATOM 791 CD PRO A 49 -4.072 -15.563 -5.632 1.00 64.20 C ATOM 0 HA PRO A 49 -3.143 -16.134 -2.700 1.00 12.42 H new ATOM 0 HB2 PRO A 49 -2.412 -18.202 -4.547 1.00 4.03 H new ATOM 0 HB3 PRO A 49 -4.043 -17.948 -3.959 1.00 4.03 H new ATOM 0 HG2 PRO A 49 -2.792 -17.037 -6.524 1.00 0.40 H new ATOM 0 HG3 PRO A 49 -4.426 -17.595 -6.226 1.00 0.40 H new ATOM 0 HD2 PRO A 49 -3.944 -14.973 -6.539 1.00 64.20 H new ATOM 0 HD3 PRO A 49 -5.126 -15.504 -5.359 1.00 64.20 H new ATOM 799 N MET A 50 -0.482 -15.710 -4.480 1.00 12.21 N ATOM 800 CA MET A 50 0.977 -15.695 -4.402 1.00 34.03 C ATOM 801 C MET A 50 1.476 -14.394 -3.769 1.00 34.53 C ATOM 802 O MET A 50 2.659 -14.243 -3.480 1.00 44.25 O ATOM 803 CB MET A 50 1.581 -15.866 -5.800 1.00 23.24 C ATOM 804 CG MET A 50 3.093 -16.027 -5.806 1.00 0.21 C ATOM 805 SD MET A 50 3.757 -16.245 -7.466 1.00 62.01 S ATOM 806 CE MET A 50 5.505 -16.382 -7.104 1.00 51.10 C ATOM 0 H MET A 50 -0.865 -15.271 -5.317 1.00 12.21 H new ATOM 0 HA MET A 50 1.295 -16.526 -3.772 1.00 34.03 H new ATOM 0 HB2 MET A 50 1.131 -16.738 -6.274 1.00 23.24 H new ATOM 0 HB3 MET A 50 1.316 -15.001 -6.407 1.00 23.24 H new ATOM 0 HG2 MET A 50 3.550 -15.150 -5.348 1.00 0.21 H new ATOM 0 HG3 MET A 50 3.366 -16.886 -5.193 1.00 0.21 H new ATOM 0 HE1 MET A 50 6.059 -16.522 -8.032 1.00 51.10 H new ATOM 0 HE2 MET A 50 5.847 -15.472 -6.611 1.00 51.10 H new ATOM 0 HE3 MET A 50 5.675 -17.236 -6.448 1.00 51.10 H new ATOM 816 N GLY A 51 0.566 -13.457 -3.549 1.00 1.03 N ATOM 817 CA GLY A 51 0.942 -12.165 -3.000 1.00 2.33 C ATOM 818 C GLY A 51 1.307 -11.171 -4.082 1.00 30.13 C ATOM 819 O GLY A 51 1.625 -10.016 -3.796 1.00 41.13 O ATOM 0 H GLY A 51 -0.430 -13.566 -3.741 1.00 1.03 H new ATOM 0 HA2 GLY A 51 0.117 -11.769 -2.408 1.00 2.33 H new ATOM 0 HA3 GLY A 51 1.788 -12.291 -2.324 1.00 2.33 H new ATOM 823 N ASP A 52 1.260 -11.629 -5.323 1.00 1.54 N ATOM 824 CA ASP A 52 1.521 -10.782 -6.477 1.00 42.14 C ATOM 825 C ASP A 52 0.640 -11.227 -7.634 1.00 30.14 C ATOM 826 O ASP A 52 0.633 -12.408 -7.991 1.00 11.21 O ATOM 827 CB ASP A 52 2.997 -10.855 -6.884 1.00 50.23 C ATOM 828 CG ASP A 52 3.313 -10.018 -8.114 1.00 43.30 C ATOM 829 OD1 ASP A 52 3.369 -8.779 -7.998 1.00 43.34 O ATOM 830 OD2 ASP A 52 3.513 -10.600 -9.204 1.00 61.05 O ATOM 0 H ASP A 52 1.040 -12.597 -5.559 1.00 1.54 H new ATOM 0 HA ASP A 52 1.292 -9.749 -6.216 1.00 42.14 H new ATOM 0 HB2 ASP A 52 3.615 -10.517 -6.052 1.00 50.23 H new ATOM 0 HB3 ASP A 52 3.264 -11.894 -7.079 1.00 50.23 H new ATOM 835 N PRO A 53 -0.136 -10.307 -8.219 1.00 51.11 N ATOM 836 CA PRO A 53 -0.176 -8.909 -7.791 1.00 2.12 C ATOM 837 C PRO A 53 -1.071 -8.687 -6.569 1.00 64.03 C ATOM 838 O PRO A 53 -1.687 -9.624 -6.050 1.00 23.05 O ATOM 839 CB PRO A 53 -0.745 -8.201 -9.018 1.00 43.12 C ATOM 840 CG PRO A 53 -1.638 -9.212 -9.654 1.00 54.02 C ATOM 841 CD PRO A 53 -1.036 -10.561 -9.358 1.00 21.00 C ATOM 0 HA PRO A 53 0.802 -8.544 -7.477 1.00 2.12 H new ATOM 0 HB2 PRO A 53 -1.298 -7.304 -8.738 1.00 43.12 H new ATOM 0 HB3 PRO A 53 0.047 -7.888 -9.698 1.00 43.12 H new ATOM 0 HG2 PRO A 53 -2.650 -9.142 -9.254 1.00 54.02 H new ATOM 0 HG3 PRO A 53 -1.708 -9.046 -10.729 1.00 54.02 H new ATOM 0 HD2 PRO A 53 -1.803 -11.294 -9.105 1.00 21.00 H new ATOM 0 HD3 PRO A 53 -0.492 -10.953 -10.217 1.00 21.00 H new ATOM 849 N ILE A 54 -1.129 -7.445 -6.110 1.00 65.33 N ATOM 850 CA ILE A 54 -1.917 -7.084 -4.938 1.00 15.32 C ATOM 851 C ILE A 54 -3.052 -6.144 -5.346 1.00 4.00 C ATOM 852 O ILE A 54 -2.867 -5.288 -6.211 1.00 15.21 O ATOM 853 CB ILE A 54 -1.033 -6.382 -3.877 1.00 72.24 C ATOM 854 CG1 ILE A 54 0.281 -7.143 -3.680 1.00 42.12 C ATOM 855 CG2 ILE A 54 -1.774 -6.270 -2.553 1.00 61.03 C ATOM 856 CD1 ILE A 54 1.241 -6.464 -2.728 1.00 1.41 C ATOM 0 H ILE A 54 -0.634 -6.662 -6.536 1.00 65.33 H new ATOM 0 HA ILE A 54 -2.328 -7.997 -4.508 1.00 15.32 H new ATOM 0 HB ILE A 54 -0.805 -5.379 -4.236 1.00 72.24 H new ATOM 0 HG12 ILE A 54 0.059 -8.143 -3.306 1.00 42.12 H new ATOM 0 HG13 ILE A 54 0.768 -7.265 -4.647 1.00 42.12 H new ATOM 0 HG21 ILE A 54 -1.137 -5.774 -1.820 1.00 61.03 H new ATOM 0 HG22 ILE A 54 -2.685 -5.689 -2.694 1.00 61.03 H new ATOM 0 HG23 ILE A 54 -2.031 -7.267 -2.195 1.00 61.03 H new ATOM 0 HD11 ILE A 54 2.148 -7.061 -2.639 1.00 1.41 H new ATOM 0 HD12 ILE A 54 1.494 -5.475 -3.110 1.00 1.41 H new ATOM 0 HD13 ILE A 54 0.773 -6.366 -1.748 1.00 1.41 H new ATOM 868 N ALA A 55 -4.221 -6.307 -4.741 1.00 12.33 N ATOM 869 CA ALA A 55 -5.365 -5.458 -5.049 1.00 2.24 C ATOM 870 C ALA A 55 -5.457 -4.311 -4.050 1.00 62.43 C ATOM 871 O ALA A 55 -5.780 -4.515 -2.875 1.00 34.43 O ATOM 872 CB ALA A 55 -6.649 -6.272 -5.052 1.00 52.14 C ATOM 0 H ALA A 55 -4.402 -7.019 -4.034 1.00 12.33 H new ATOM 0 HA ALA A 55 -5.227 -5.037 -6.045 1.00 2.24 H new ATOM 0 HB1 ALA A 55 -7.492 -5.621 -5.284 1.00 52.14 H new ATOM 0 HB2 ALA A 55 -6.580 -7.058 -5.804 1.00 52.14 H new ATOM 0 HB3 ALA A 55 -6.797 -6.722 -4.070 1.00 52.14 H new ATOM 878 N LEU A 56 -5.175 -3.107 -4.514 1.00 11.41 N ATOM 879 CA LEU A 56 -5.097 -1.951 -3.636 1.00 15.03 C ATOM 880 C LEU A 56 -6.100 -0.889 -4.047 1.00 52.13 C ATOM 881 O LEU A 56 -6.241 -0.578 -5.225 1.00 42.15 O ATOM 882 CB LEU A 56 -3.697 -1.347 -3.697 1.00 33.31 C ATOM 883 CG LEU A 56 -2.545 -2.346 -3.585 1.00 32.21 C ATOM 884 CD1 LEU A 56 -1.214 -1.662 -3.862 1.00 20.42 C ATOM 885 CD2 LEU A 56 -2.539 -2.990 -2.210 1.00 13.20 C ATOM 0 H LEU A 56 -4.995 -2.903 -5.497 1.00 11.41 H new ATOM 0 HA LEU A 56 -5.322 -2.284 -2.623 1.00 15.03 H new ATOM 0 HB2 LEU A 56 -3.595 -0.805 -4.637 1.00 33.31 H new ATOM 0 HB3 LEU A 56 -3.600 -0.616 -2.895 1.00 33.31 H new ATOM 0 HG LEU A 56 -2.689 -3.126 -4.333 1.00 32.21 H new ATOM 0 HD11 LEU A 56 -0.407 -2.389 -3.777 1.00 20.42 H new ATOM 0 HD12 LEU A 56 -1.222 -1.244 -4.869 1.00 20.42 H new ATOM 0 HD13 LEU A 56 -1.059 -0.862 -3.138 1.00 20.42 H new ATOM 0 HD21 LEU A 56 -1.714 -3.699 -2.144 1.00 13.20 H new ATOM 0 HD22 LEU A 56 -2.418 -2.220 -1.448 1.00 13.20 H new ATOM 0 HD23 LEU A 56 -3.481 -3.514 -2.050 1.00 13.20 H new ATOM 897 N ARG A 57 -6.789 -0.328 -3.076 1.00 34.52 N ATOM 898 CA ARG A 57 -7.651 0.808 -3.327 1.00 44.11 C ATOM 899 C ARG A 57 -6.842 2.074 -3.086 1.00 4.30 C ATOM 900 O ARG A 57 -6.604 2.468 -1.941 1.00 31.33 O ATOM 901 CB ARG A 57 -8.904 0.746 -2.435 1.00 32.25 C ATOM 902 CG ARG A 57 -9.935 1.845 -2.692 1.00 31.31 C ATOM 903 CD ARG A 57 -9.589 3.134 -1.958 1.00 14.55 C ATOM 904 NE ARG A 57 -10.597 4.175 -2.147 1.00 30.30 N ATOM 905 CZ ARG A 57 -10.684 5.265 -1.384 1.00 53.44 C ATOM 906 NH1 ARG A 57 -9.822 5.449 -0.389 1.00 50.04 N ATOM 907 NH2 ARG A 57 -11.627 6.170 -1.614 1.00 71.34 N ATOM 0 H ARG A 57 -6.769 -0.640 -2.105 1.00 34.52 H new ATOM 0 HA ARG A 57 -8.005 0.800 -4.358 1.00 44.11 H new ATOM 0 HB2 ARG A 57 -9.384 -0.222 -2.576 1.00 32.25 H new ATOM 0 HB3 ARG A 57 -8.592 0.798 -1.392 1.00 32.25 H new ATOM 0 HG2 ARG A 57 -9.996 2.042 -3.762 1.00 31.31 H new ATOM 0 HG3 ARG A 57 -10.919 1.500 -2.375 1.00 31.31 H new ATOM 0 HD2 ARG A 57 -9.483 2.925 -0.894 1.00 14.55 H new ATOM 0 HD3 ARG A 57 -8.624 3.500 -2.308 1.00 14.55 H new ATOM 0 HE ARG A 57 -11.271 4.062 -2.904 1.00 30.30 H new ATOM 0 HH11 ARG A 57 -9.095 4.757 -0.210 1.00 50.04 H new ATOM 0 HH12 ARG A 57 -9.888 6.283 0.195 1.00 50.04 H new ATOM 0 HH21 ARG A 57 -12.290 6.033 -2.377 1.00 71.34 H new ATOM 0 HH22 ARG A 57 -11.689 7.002 -1.027 1.00 71.34 H new ATOM 921 N LEU A 58 -6.386 2.677 -4.171 1.00 1.34 N ATOM 922 CA LEU A 58 -5.506 3.830 -4.098 1.00 43.15 C ATOM 923 C LEU A 58 -5.893 4.871 -5.135 1.00 12.21 C ATOM 924 O LEU A 58 -6.541 4.543 -6.131 1.00 0.55 O ATOM 925 CB LEU A 58 -4.041 3.397 -4.272 1.00 73.20 C ATOM 926 CG LEU A 58 -3.748 2.392 -5.400 1.00 14.31 C ATOM 927 CD1 LEU A 58 -3.841 3.043 -6.775 1.00 54.21 C ATOM 928 CD2 LEU A 58 -2.374 1.775 -5.204 1.00 40.34 C ATOM 0 H LEU A 58 -6.614 2.383 -5.121 1.00 1.34 H new ATOM 0 HA LEU A 58 -5.613 4.285 -3.113 1.00 43.15 H new ATOM 0 HB2 LEU A 58 -3.441 4.290 -4.447 1.00 73.20 H new ATOM 0 HB3 LEU A 58 -3.700 2.963 -3.332 1.00 73.20 H new ATOM 0 HG LEU A 58 -4.506 1.610 -5.353 1.00 14.31 H new ATOM 0 HD11 LEU A 58 -3.628 2.301 -7.544 1.00 54.21 H new ATOM 0 HD12 LEU A 58 -4.845 3.440 -6.922 1.00 54.21 H new ATOM 0 HD13 LEU A 58 -3.117 3.855 -6.843 1.00 54.21 H new ATOM 0 HD21 LEU A 58 -2.176 1.065 -6.007 1.00 40.34 H new ATOM 0 HD22 LEU A 58 -1.617 2.560 -5.218 1.00 40.34 H new ATOM 0 HD23 LEU A 58 -2.341 1.257 -4.246 1.00 40.34 H new ATOM 940 N ARG A 59 -5.514 6.125 -4.872 1.00 22.55 N ATOM 941 CA ARG A 59 -5.785 7.258 -5.767 1.00 74.41 C ATOM 942 C ARG A 59 -7.279 7.617 -5.752 1.00 45.42 C ATOM 943 O ARG A 59 -7.643 8.788 -5.663 1.00 55.21 O ATOM 944 CB ARG A 59 -5.303 6.946 -7.196 1.00 62.02 C ATOM 945 CG ARG A 59 -4.875 8.167 -8.003 1.00 31.11 C ATOM 946 CD ARG A 59 -6.051 9.035 -8.415 1.00 61.43 C ATOM 947 NE ARG A 59 -5.617 10.233 -9.130 1.00 33.01 N ATOM 948 CZ ARG A 59 -6.433 11.227 -9.482 1.00 75.33 C ATOM 949 NH1 ARG A 59 -7.730 11.164 -9.199 1.00 3.32 N ATOM 950 NH2 ARG A 59 -5.953 12.289 -10.116 1.00 62.30 N ATOM 0 H ARG A 59 -5.007 6.386 -4.026 1.00 22.55 H new ATOM 0 HA ARG A 59 -5.230 8.124 -5.406 1.00 74.41 H new ATOM 0 HB2 ARG A 59 -4.464 6.252 -7.139 1.00 62.02 H new ATOM 0 HB3 ARG A 59 -6.103 6.435 -7.732 1.00 62.02 H new ATOM 0 HG2 ARG A 59 -4.178 8.762 -7.413 1.00 31.11 H new ATOM 0 HG3 ARG A 59 -4.340 7.840 -8.894 1.00 31.11 H new ATOM 0 HD2 ARG A 59 -6.725 8.458 -9.048 1.00 61.43 H new ATOM 0 HD3 ARG A 59 -6.617 9.325 -7.529 1.00 61.43 H new ATOM 0 HE ARG A 59 -4.630 10.314 -9.375 1.00 33.01 H new ATOM 0 HH11 ARG A 59 -8.106 10.352 -8.710 1.00 3.32 H new ATOM 0 HH12 ARG A 59 -8.349 11.928 -9.471 1.00 3.32 H new ATOM 0 HH21 ARG A 59 -4.958 12.346 -10.335 1.00 62.30 H new ATOM 0 HH22 ARG A 59 -6.579 13.049 -10.385 1.00 62.30 H new ATOM 964 N GLY A 60 -8.127 6.600 -5.826 1.00 54.44 N ATOM 965 CA GLY A 60 -9.559 6.805 -5.798 1.00 41.34 C ATOM 966 C GLY A 60 -10.323 5.514 -6.025 1.00 45.21 C ATOM 967 O GLY A 60 -11.499 5.410 -5.681 1.00 33.30 O ATOM 0 H GLY A 60 -7.842 5.624 -5.906 1.00 54.44 H new ATOM 0 HA2 GLY A 60 -9.845 7.231 -4.837 1.00 41.34 H new ATOM 0 HA3 GLY A 60 -9.836 7.530 -6.563 1.00 41.34 H new ATOM 971 N TYR A 61 -9.653 4.517 -6.588 1.00 31.23 N ATOM 972 CA TYR A 61 -10.305 3.254 -6.911 1.00 21.51 C ATOM 973 C TYR A 61 -9.425 2.069 -6.557 1.00 33.22 C ATOM 974 O TYR A 61 -8.247 2.227 -6.242 1.00 61.11 O ATOM 975 CB TYR A 61 -10.660 3.200 -8.398 1.00 60.21 C ATOM 976 CG TYR A 61 -9.501 3.539 -9.316 1.00 21.55 C ATOM 977 CD1 TYR A 61 -8.629 2.551 -9.760 1.00 63.31 C ATOM 978 CD2 TYR A 61 -9.283 4.845 -9.743 1.00 64.34 C ATOM 979 CE1 TYR A 61 -7.569 2.855 -10.592 1.00 74.10 C ATOM 980 CE2 TYR A 61 -8.225 5.157 -10.577 1.00 50.33 C ATOM 981 CZ TYR A 61 -7.374 4.158 -11.001 1.00 43.43 C ATOM 982 OH TYR A 61 -6.318 4.462 -11.832 1.00 51.44 O ATOM 0 H TYR A 61 -8.663 4.557 -6.830 1.00 31.23 H new ATOM 0 HA TYR A 61 -11.217 3.196 -6.317 1.00 21.51 H new ATOM 0 HB2 TYR A 61 -11.023 2.201 -8.640 1.00 60.21 H new ATOM 0 HB3 TYR A 61 -11.480 3.892 -8.592 1.00 60.21 H new ATOM 0 HD1 TYR A 61 -8.783 1.528 -9.449 1.00 63.31 H new ATOM 0 HD2 TYR A 61 -9.951 5.628 -9.418 1.00 64.34 H new ATOM 0 HE1 TYR A 61 -6.896 2.077 -10.921 1.00 74.10 H new ATOM 0 HE2 TYR A 61 -8.066 6.177 -10.894 1.00 50.33 H new ATOM 0 HH TYR A 61 -6.322 5.422 -12.028 1.00 51.44 H new ATOM 992 N SER A 62 -10.012 0.891 -6.599 1.00 11.22 N ATOM 993 CA SER A 62 -9.284 -0.332 -6.377 1.00 34.43 C ATOM 994 C SER A 62 -8.636 -0.814 -7.676 1.00 2.31 C ATOM 995 O SER A 62 -9.304 -0.962 -8.702 1.00 74.00 O ATOM 996 CB SER A 62 -10.240 -1.386 -5.846 1.00 43.04 C ATOM 997 OG SER A 62 -11.217 -0.805 -4.993 1.00 43.33 O ATOM 0 H SER A 62 -11.006 0.759 -6.788 1.00 11.22 H new ATOM 0 HA SER A 62 -8.492 -0.154 -5.649 1.00 34.43 H new ATOM 0 HB2 SER A 62 -10.732 -1.888 -6.679 1.00 43.04 H new ATOM 0 HB3 SER A 62 -9.682 -2.146 -5.300 1.00 43.04 H new ATOM 0 HG SER A 62 -11.822 -1.503 -4.665 1.00 43.33 H new ATOM 1003 N LEU A 63 -7.341 -1.051 -7.614 1.00 74.15 N ATOM 1004 CA LEU A 63 -6.561 -1.484 -8.761 1.00 51.01 C ATOM 1005 C LEU A 63 -5.471 -2.442 -8.294 1.00 2.15 C ATOM 1006 O LEU A 63 -4.985 -2.328 -7.170 1.00 54.21 O ATOM 1007 CB LEU A 63 -5.931 -0.273 -9.456 1.00 14.31 C ATOM 1008 CG LEU A 63 -5.106 -0.585 -10.706 1.00 53.32 C ATOM 1009 CD1 LEU A 63 -5.993 -1.125 -11.815 1.00 4.11 C ATOM 1010 CD2 LEU A 63 -4.363 0.654 -11.175 1.00 70.44 C ATOM 0 H LEU A 63 -6.794 -0.948 -6.759 1.00 74.15 H new ATOM 0 HA LEU A 63 -7.213 -1.993 -9.471 1.00 51.01 H new ATOM 0 HB2 LEU A 63 -6.726 0.420 -9.731 1.00 14.31 H new ATOM 0 HB3 LEU A 63 -5.292 0.243 -8.740 1.00 14.31 H new ATOM 0 HG LEU A 63 -4.374 -1.352 -10.450 1.00 53.32 H new ATOM 0 HD11 LEU A 63 -5.386 -1.340 -12.694 1.00 4.11 H new ATOM 0 HD12 LEU A 63 -6.481 -2.040 -11.478 1.00 4.11 H new ATOM 0 HD13 LEU A 63 -6.750 -0.383 -12.069 1.00 4.11 H new ATOM 0 HD21 LEU A 63 -3.781 0.414 -12.065 1.00 70.44 H new ATOM 0 HD22 LEU A 63 -5.080 1.441 -11.411 1.00 70.44 H new ATOM 0 HD23 LEU A 63 -3.694 0.998 -10.386 1.00 70.44 H new ATOM 1022 N SER A 64 -5.096 -3.386 -9.135 1.00 11.54 N ATOM 1023 CA SER A 64 -4.073 -4.340 -8.759 1.00 2.51 C ATOM 1024 C SER A 64 -2.703 -3.893 -9.251 1.00 33.12 C ATOM 1025 O SER A 64 -2.512 -3.605 -10.437 1.00 30.15 O ATOM 1026 CB SER A 64 -4.411 -5.731 -9.292 1.00 70.45 C ATOM 1027 OG SER A 64 -3.522 -6.707 -8.781 1.00 43.14 O ATOM 0 H SER A 64 -5.479 -3.512 -10.072 1.00 11.54 H new ATOM 0 HA SER A 64 -4.040 -4.389 -7.671 1.00 2.51 H new ATOM 0 HB2 SER A 64 -5.434 -5.989 -9.018 1.00 70.45 H new ATOM 0 HB3 SER A 64 -4.363 -5.727 -10.381 1.00 70.45 H new ATOM 0 HG SER A 64 -3.110 -6.374 -7.957 1.00 43.14 H new ATOM 1033 N LEU A 65 -1.764 -3.823 -8.321 1.00 42.41 N ATOM 1034 CA LEU A 65 -0.388 -3.454 -8.624 1.00 11.31 C ATOM 1035 C LEU A 65 0.541 -4.593 -8.224 1.00 4.21 C ATOM 1036 O LEU A 65 0.127 -5.523 -7.535 1.00 25.54 O ATOM 1037 CB LEU A 65 0.021 -2.163 -7.891 1.00 70.42 C ATOM 1038 CG LEU A 65 -0.613 -0.857 -8.398 1.00 73.21 C ATOM 1039 CD1 LEU A 65 -0.493 -0.746 -9.908 1.00 4.02 C ATOM 1040 CD2 LEU A 65 -2.066 -0.743 -7.961 1.00 11.13 C ATOM 0 H LEU A 65 -1.933 -4.020 -7.335 1.00 42.41 H new ATOM 0 HA LEU A 65 -0.310 -3.270 -9.695 1.00 11.31 H new ATOM 0 HB2 LEU A 65 -0.228 -2.276 -6.836 1.00 70.42 H new ATOM 0 HB3 LEU A 65 1.105 -2.063 -7.954 1.00 70.42 H new ATOM 0 HG LEU A 65 -0.065 -0.027 -7.952 1.00 73.21 H new ATOM 0 HD11 LEU A 65 -0.949 0.186 -10.242 1.00 4.02 H new ATOM 0 HD12 LEU A 65 0.560 -0.757 -10.191 1.00 4.02 H new ATOM 0 HD13 LEU A 65 -1.003 -1.588 -10.376 1.00 4.02 H new ATOM 0 HD21 LEU A 65 -2.486 0.191 -8.335 1.00 11.13 H new ATOM 0 HD22 LEU A 65 -2.634 -1.583 -8.362 1.00 11.13 H new ATOM 0 HD23 LEU A 65 -2.121 -0.755 -6.872 1.00 11.13 H new ATOM 1052 N ARG A 66 1.790 -4.518 -8.651 1.00 53.52 N ATOM 1053 CA ARG A 66 2.754 -5.577 -8.384 1.00 50.14 C ATOM 1054 C ARG A 66 3.277 -5.515 -6.952 1.00 2.33 C ATOM 1055 O ARG A 66 3.312 -4.450 -6.331 1.00 21.31 O ATOM 1056 CB ARG A 66 3.932 -5.492 -9.359 1.00 13.21 C ATOM 1057 CG ARG A 66 3.578 -5.850 -10.794 1.00 43.23 C ATOM 1058 CD ARG A 66 3.183 -7.315 -10.924 1.00 53.03 C ATOM 1059 NE ARG A 66 3.017 -7.711 -12.323 1.00 12.32 N ATOM 1060 CZ ARG A 66 3.007 -8.971 -12.751 1.00 50.10 C ATOM 1061 NH1 ARG A 66 3.123 -9.981 -11.892 1.00 1.15 N ATOM 1062 NH2 ARG A 66 2.886 -9.212 -14.047 1.00 71.31 N ATOM 0 H ARG A 66 2.163 -3.733 -9.186 1.00 53.52 H new ATOM 0 HA ARG A 66 2.235 -6.526 -8.521 1.00 50.14 H new ATOM 0 HB2 ARG A 66 4.335 -4.480 -9.337 1.00 13.21 H new ATOM 0 HB3 ARG A 66 4.723 -6.158 -9.015 1.00 13.21 H new ATOM 0 HG2 ARG A 66 2.757 -5.219 -11.135 1.00 43.23 H new ATOM 0 HG3 ARG A 66 4.430 -5.643 -11.442 1.00 43.23 H new ATOM 0 HD2 ARG A 66 3.945 -7.940 -10.457 1.00 53.03 H new ATOM 0 HD3 ARG A 66 2.253 -7.490 -10.384 1.00 53.03 H new ATOM 0 HE ARG A 66 2.901 -6.972 -13.016 1.00 12.32 H new ATOM 0 HH11 ARG A 66 3.221 -9.793 -10.894 1.00 1.15 H new ATOM 0 HH12 ARG A 66 3.114 -10.943 -12.231 1.00 1.15 H new ATOM 0 HH21 ARG A 66 2.802 -8.437 -14.704 1.00 71.31 H new ATOM 0 HH22 ARG A 66 2.877 -10.173 -14.388 1.00 71.31 H new ATOM 1076 N LYS A 67 3.693 -6.668 -6.445 1.00 24.04 N ATOM 1077 CA LYS A 67 4.314 -6.766 -5.129 1.00 20.15 C ATOM 1078 C LYS A 67 5.581 -5.918 -5.086 1.00 51.30 C ATOM 1079 O LYS A 67 5.910 -5.315 -4.066 1.00 32.20 O ATOM 1080 CB LYS A 67 4.647 -8.233 -4.832 1.00 51.04 C ATOM 1081 CG LYS A 67 5.326 -8.471 -3.492 1.00 3.04 C ATOM 1082 CD LYS A 67 5.736 -9.929 -3.346 1.00 75.35 C ATOM 1083 CE LYS A 67 6.423 -10.194 -2.016 1.00 51.31 C ATOM 1084 NZ LYS A 67 6.936 -11.587 -1.937 1.00 2.11 N ATOM 0 H LYS A 67 3.610 -7.560 -6.932 1.00 24.04 H new ATOM 0 HA LYS A 67 3.622 -6.395 -4.373 1.00 20.15 H new ATOM 0 HB2 LYS A 67 3.726 -8.815 -4.866 1.00 51.04 H new ATOM 0 HB3 LYS A 67 5.293 -8.613 -5.624 1.00 51.04 H new ATOM 0 HG2 LYS A 67 6.204 -7.831 -3.405 1.00 3.04 H new ATOM 0 HG3 LYS A 67 4.650 -8.196 -2.683 1.00 3.04 H new ATOM 0 HD2 LYS A 67 4.855 -10.564 -3.432 1.00 75.35 H new ATOM 0 HD3 LYS A 67 6.406 -10.201 -4.161 1.00 75.35 H new ATOM 0 HE2 LYS A 67 7.248 -9.493 -1.885 1.00 51.31 H new ATOM 0 HE3 LYS A 67 5.721 -10.017 -1.201 1.00 51.31 H new ATOM 0 HZ1 LYS A 67 7.399 -11.735 -1.017 1.00 2.11 H new ATOM 0 HZ2 LYS A 67 6.145 -12.255 -2.038 1.00 2.11 H new ATOM 0 HZ3 LYS A 67 7.624 -11.748 -2.700 1.00 2.11 H new ATOM 1098 N SER A 68 6.270 -5.870 -6.219 1.00 13.51 N ATOM 1099 CA SER A 68 7.487 -5.084 -6.353 1.00 73.04 C ATOM 1100 C SER A 68 7.204 -3.597 -6.130 1.00 21.42 C ATOM 1101 O SER A 68 8.015 -2.883 -5.543 1.00 41.41 O ATOM 1102 CB SER A 68 8.079 -5.307 -7.742 1.00 55.23 C ATOM 1103 OG SER A 68 8.058 -6.685 -8.082 1.00 12.33 O ATOM 0 H SER A 68 6.002 -6.372 -7.066 1.00 13.51 H new ATOM 0 HA SER A 68 8.201 -5.406 -5.595 1.00 73.04 H new ATOM 0 HB2 SER A 68 7.514 -4.737 -8.479 1.00 55.23 H new ATOM 0 HB3 SER A 68 9.104 -4.936 -7.770 1.00 55.23 H new ATOM 0 HG SER A 68 8.440 -6.807 -8.976 1.00 12.33 H new ATOM 1109 N GLU A 69 6.038 -3.146 -6.586 1.00 0.13 N ATOM 1110 CA GLU A 69 5.631 -1.756 -6.424 1.00 52.20 C ATOM 1111 C GLU A 69 5.328 -1.467 -4.959 1.00 61.13 C ATOM 1112 O GLU A 69 5.712 -0.432 -4.416 1.00 41.31 O ATOM 1113 CB GLU A 69 4.397 -1.466 -7.282 1.00 12.30 C ATOM 1114 CG GLU A 69 4.605 -1.746 -8.763 1.00 11.24 C ATOM 1115 CD GLU A 69 3.367 -1.480 -9.595 1.00 75.52 C ATOM 1116 OE1 GLU A 69 3.033 -0.298 -9.809 1.00 55.01 O ATOM 1117 OE2 GLU A 69 2.732 -2.454 -10.053 1.00 11.23 O ATOM 0 H GLU A 69 5.356 -3.728 -7.073 1.00 0.13 H new ATOM 0 HA GLU A 69 6.447 -1.110 -6.750 1.00 52.20 H new ATOM 0 HB2 GLU A 69 3.564 -2.069 -6.920 1.00 12.30 H new ATOM 0 HB3 GLU A 69 4.114 -0.421 -7.155 1.00 12.30 H new ATOM 0 HG2 GLU A 69 5.424 -1.129 -9.132 1.00 11.24 H new ATOM 0 HG3 GLU A 69 4.906 -2.786 -8.892 1.00 11.24 H new ATOM 1124 N ALA A 70 4.653 -2.414 -4.325 1.00 12.41 N ATOM 1125 CA ALA A 70 4.271 -2.295 -2.926 1.00 60.23 C ATOM 1126 C ALA A 70 5.494 -2.309 -2.008 1.00 54.24 C ATOM 1127 O ALA A 70 5.432 -1.854 -0.866 1.00 75.22 O ATOM 1128 CB ALA A 70 3.314 -3.417 -2.557 1.00 11.10 C ATOM 0 H ALA A 70 4.355 -3.285 -4.765 1.00 12.41 H new ATOM 0 HA ALA A 70 3.771 -1.336 -2.789 1.00 60.23 H new ATOM 0 HB1 ALA A 70 3.031 -3.324 -1.509 1.00 11.10 H new ATOM 0 HB2 ALA A 70 2.422 -3.354 -3.181 1.00 11.10 H new ATOM 0 HB3 ALA A 70 3.802 -4.379 -2.717 1.00 11.10 H new ATOM 1134 N LYS A 71 6.598 -2.848 -2.502 1.00 43.35 N ATOM 1135 CA LYS A 71 7.820 -2.947 -1.710 1.00 53.51 C ATOM 1136 C LYS A 71 8.462 -1.573 -1.508 1.00 53.11 C ATOM 1137 O LYS A 71 9.178 -1.349 -0.531 1.00 51.51 O ATOM 1138 CB LYS A 71 8.820 -3.894 -2.384 1.00 42.24 C ATOM 1139 CG LYS A 71 10.073 -4.126 -1.559 1.00 24.02 C ATOM 1140 CD LYS A 71 11.088 -4.981 -2.297 1.00 61.14 C ATOM 1141 CE LYS A 71 12.352 -5.165 -1.473 1.00 23.11 C ATOM 1142 NZ LYS A 71 13.024 -3.865 -1.196 1.00 41.14 N ATOM 0 H LYS A 71 6.676 -3.224 -3.447 1.00 43.35 H new ATOM 0 HA LYS A 71 7.550 -3.347 -0.733 1.00 53.51 H new ATOM 0 HB2 LYS A 71 8.334 -4.851 -2.572 1.00 42.24 H new ATOM 0 HB3 LYS A 71 9.102 -3.484 -3.354 1.00 42.24 H new ATOM 0 HG2 LYS A 71 10.523 -3.166 -1.305 1.00 24.02 H new ATOM 0 HG3 LYS A 71 9.805 -4.610 -0.620 1.00 24.02 H new ATOM 0 HD2 LYS A 71 10.652 -5.954 -2.523 1.00 61.14 H new ATOM 0 HD3 LYS A 71 11.336 -4.514 -3.250 1.00 61.14 H new ATOM 0 HE2 LYS A 71 12.104 -5.654 -0.531 1.00 23.11 H new ATOM 0 HE3 LYS A 71 13.039 -5.824 -2.003 1.00 23.11 H new ATOM 0 HZ1 LYS A 71 13.999 -4.039 -0.878 1.00 41.14 H new ATOM 0 HZ2 LYS A 71 13.039 -3.291 -2.063 1.00 41.14 H new ATOM 0 HZ3 LYS A 71 12.503 -3.357 -0.453 1.00 41.14 H new ATOM 1156 N ASP A 72 8.189 -0.655 -2.423 1.00 62.20 N ATOM 1157 CA ASP A 72 8.840 0.653 -2.414 1.00 31.12 C ATOM 1158 C ASP A 72 8.050 1.657 -1.578 1.00 12.52 C ATOM 1159 O ASP A 72 8.483 2.794 -1.371 1.00 2.44 O ATOM 1160 CB ASP A 72 8.980 1.161 -3.847 1.00 2.20 C ATOM 1161 CG ASP A 72 10.243 1.966 -4.069 1.00 43.03 C ATOM 1162 OD1 ASP A 72 11.319 1.342 -4.221 1.00 31.22 O ATOM 1163 OD2 ASP A 72 10.164 3.212 -4.121 1.00 74.45 O ATOM 0 H ASP A 72 7.521 -0.789 -3.183 1.00 62.20 H new ATOM 0 HA ASP A 72 9.827 0.545 -1.964 1.00 31.12 H new ATOM 0 HB2 ASP A 72 8.972 0.312 -4.530 1.00 2.20 H new ATOM 0 HB3 ASP A 72 8.115 1.777 -4.094 1.00 2.20 H new ATOM 1168 N ILE A 73 6.894 1.229 -1.089 1.00 65.33 N ATOM 1169 CA ILE A 73 6.026 2.098 -0.310 1.00 70.33 C ATOM 1170 C ILE A 73 6.108 1.751 1.173 1.00 72.22 C ATOM 1171 O ILE A 73 5.900 0.599 1.553 1.00 54.44 O ATOM 1172 CB ILE A 73 4.553 1.976 -0.755 1.00 14.32 C ATOM 1173 CG1 ILE A 73 4.432 2.032 -2.278 1.00 71.24 C ATOM 1174 CG2 ILE A 73 3.721 3.081 -0.121 1.00 50.41 C ATOM 1175 CD1 ILE A 73 3.016 1.843 -2.783 1.00 64.54 C ATOM 0 H ILE A 73 6.536 0.283 -1.219 1.00 65.33 H new ATOM 0 HA ILE A 73 6.369 3.119 -0.478 1.00 70.33 H new ATOM 0 HB ILE A 73 4.176 1.009 -0.421 1.00 14.32 H new ATOM 0 HG12 ILE A 73 4.808 2.993 -2.629 1.00 71.24 H new ATOM 0 HG13 ILE A 73 5.069 1.262 -2.713 1.00 71.24 H new ATOM 0 HG21 ILE A 73 2.684 2.985 -0.442 1.00 50.41 H new ATOM 0 HG22 ILE A 73 3.774 2.999 0.965 1.00 50.41 H new ATOM 0 HG23 ILE A 73 4.108 4.052 -0.431 1.00 50.41 H new ATOM 0 HD11 ILE A 73 3.008 1.895 -3.872 1.00 64.54 H new ATOM 0 HD12 ILE A 73 2.643 0.870 -2.463 1.00 64.54 H new ATOM 0 HD13 ILE A 73 2.377 2.628 -2.378 1.00 64.54 H new ATOM 1187 N LEU A 74 6.414 2.743 2.000 1.00 23.25 N ATOM 1188 CA LEU A 74 6.419 2.563 3.443 1.00 60.33 C ATOM 1189 C LEU A 74 5.159 3.182 4.038 1.00 30.31 C ATOM 1190 O LEU A 74 4.949 4.397 3.957 1.00 23.54 O ATOM 1191 CB LEU A 74 7.662 3.206 4.060 1.00 34.24 C ATOM 1192 CG LEU A 74 9.001 2.699 3.516 1.00 53.42 C ATOM 1193 CD1 LEU A 74 10.155 3.442 4.169 1.00 35.33 C ATOM 1194 CD2 LEU A 74 9.141 1.202 3.746 1.00 62.52 C ATOM 0 H LEU A 74 6.663 3.683 1.693 1.00 23.25 H new ATOM 0 HA LEU A 74 6.438 1.496 3.666 1.00 60.33 H new ATOM 0 HB2 LEU A 74 7.609 4.283 3.903 1.00 34.24 H new ATOM 0 HB3 LEU A 74 7.640 3.040 5.137 1.00 34.24 H new ATOM 0 HG LEU A 74 9.027 2.887 2.443 1.00 53.42 H new ATOM 0 HD11 LEU A 74 11.099 3.070 3.771 1.00 35.33 H new ATOM 0 HD12 LEU A 74 10.067 4.508 3.958 1.00 35.33 H new ATOM 0 HD13 LEU A 74 10.127 3.282 5.247 1.00 35.33 H new ATOM 0 HD21 LEU A 74 10.099 0.861 3.352 1.00 62.52 H new ATOM 0 HD22 LEU A 74 9.092 0.992 4.814 1.00 62.52 H new ATOM 0 HD23 LEU A 74 8.332 0.678 3.236 1.00 62.52 H new ATOM 1206 N VAL A 75 4.320 2.346 4.622 1.00 52.04 N ATOM 1207 CA VAL A 75 3.030 2.783 5.129 1.00 21.20 C ATOM 1208 C VAL A 75 2.802 2.306 6.558 1.00 72.35 C ATOM 1209 O VAL A 75 3.313 1.263 6.969 1.00 31.43 O ATOM 1210 CB VAL A 75 1.875 2.259 4.245 1.00 51.03 C ATOM 1211 CG1 VAL A 75 1.900 2.907 2.870 1.00 1.21 C ATOM 1212 CG2 VAL A 75 1.946 0.744 4.120 1.00 61.44 C ATOM 0 H VAL A 75 4.510 1.353 4.758 1.00 52.04 H new ATOM 0 HA VAL A 75 3.040 3.873 5.109 1.00 21.20 H new ATOM 0 HB VAL A 75 0.934 2.526 4.727 1.00 51.03 H new ATOM 0 HG11 VAL A 75 1.077 2.519 2.270 1.00 1.21 H new ATOM 0 HG12 VAL A 75 1.796 3.987 2.975 1.00 1.21 H new ATOM 0 HG13 VAL A 75 2.846 2.680 2.378 1.00 1.21 H new ATOM 0 HG21 VAL A 75 1.126 0.392 3.495 1.00 61.44 H new ATOM 0 HG22 VAL A 75 2.896 0.460 3.667 1.00 61.44 H new ATOM 0 HG23 VAL A 75 1.867 0.293 5.109 1.00 61.44 H new ATOM 1222 N GLU A 76 2.042 3.081 7.314 1.00 24.32 N ATOM 1223 CA GLU A 76 1.605 2.657 8.632 1.00 24.23 C ATOM 1224 C GLU A 76 0.178 2.134 8.549 1.00 23.44 C ATOM 1225 O GLU A 76 -0.653 2.694 7.827 1.00 44.31 O ATOM 1226 CB GLU A 76 1.698 3.799 9.652 1.00 14.54 C ATOM 1227 CG GLU A 76 0.907 5.039 9.268 1.00 13.34 C ATOM 1228 CD GLU A 76 0.867 6.071 10.377 1.00 14.22 C ATOM 1229 OE1 GLU A 76 1.932 6.382 10.953 1.00 45.21 O ATOM 1230 OE2 GLU A 76 -0.230 6.582 10.675 1.00 55.02 O ATOM 0 H GLU A 76 1.715 4.007 7.037 1.00 24.32 H new ATOM 0 HA GLU A 76 2.267 1.861 8.974 1.00 24.23 H new ATOM 0 HB2 GLU A 76 1.343 3.439 10.618 1.00 14.54 H new ATOM 0 HB3 GLU A 76 2.745 4.074 9.779 1.00 14.54 H new ATOM 0 HG2 GLU A 76 1.348 5.485 8.377 1.00 13.34 H new ATOM 0 HG3 GLU A 76 -0.111 4.750 9.009 1.00 13.34 H new ATOM 1237 N VAL A 77 -0.095 1.059 9.269 1.00 62.33 N ATOM 1238 CA VAL A 77 -1.405 0.432 9.238 1.00 14.53 C ATOM 1239 C VAL A 77 -2.419 1.271 10.007 1.00 24.15 C ATOM 1240 O VAL A 77 -2.325 1.421 11.225 1.00 1.12 O ATOM 1241 CB VAL A 77 -1.356 -0.994 9.827 1.00 73.22 C ATOM 1242 CG1 VAL A 77 -2.703 -1.681 9.685 1.00 3.33 C ATOM 1243 CG2 VAL A 77 -0.262 -1.814 9.157 1.00 53.53 C ATOM 0 H VAL A 77 0.577 0.601 9.885 1.00 62.33 H new ATOM 0 HA VAL A 77 -1.713 0.365 8.195 1.00 14.53 H new ATOM 0 HB VAL A 77 -1.124 -0.916 10.889 1.00 73.22 H new ATOM 0 HG11 VAL A 77 -2.646 -2.685 10.107 1.00 3.33 H new ATOM 0 HG12 VAL A 77 -3.462 -1.107 10.216 1.00 3.33 H new ATOM 0 HG13 VAL A 77 -2.969 -1.745 8.630 1.00 3.33 H new ATOM 0 HG21 VAL A 77 -0.244 -2.816 9.586 1.00 53.53 H new ATOM 0 HG22 VAL A 77 -0.461 -1.881 8.087 1.00 53.53 H new ATOM 0 HG23 VAL A 77 0.703 -1.333 9.317 1.00 53.53 H new ATOM 1253 N LEU A 78 -3.387 1.819 9.284 1.00 55.44 N ATOM 1254 CA LEU A 78 -4.418 2.651 9.888 1.00 73.31 C ATOM 1255 C LEU A 78 -5.560 1.803 10.413 1.00 75.12 C ATOM 1256 O LEU A 78 -6.483 2.310 11.053 1.00 1.32 O ATOM 1257 CB LEU A 78 -4.929 3.694 8.900 1.00 71.22 C ATOM 1258 CG LEU A 78 -3.944 4.822 8.596 1.00 33.42 C ATOM 1259 CD1 LEU A 78 -4.566 5.827 7.641 1.00 73.51 C ATOM 1260 CD2 LEU A 78 -3.509 5.506 9.883 1.00 73.42 C ATOM 0 H LEU A 78 -3.479 1.701 8.275 1.00 55.44 H new ATOM 0 HA LEU A 78 -3.970 3.177 10.731 1.00 73.31 H new ATOM 0 HB2 LEU A 78 -5.188 3.194 7.966 1.00 71.22 H new ATOM 0 HB3 LEU A 78 -5.848 4.129 9.294 1.00 71.22 H new ATOM 0 HG LEU A 78 -3.063 4.394 8.118 1.00 33.42 H new ATOM 0 HD11 LEU A 78 -3.851 6.624 7.435 1.00 73.51 H new ATOM 0 HD12 LEU A 78 -4.831 5.328 6.709 1.00 73.51 H new ATOM 0 HD13 LEU A 78 -5.462 6.252 8.093 1.00 73.51 H new ATOM 0 HD21 LEU A 78 -2.808 6.307 9.650 1.00 73.42 H new ATOM 0 HD22 LEU A 78 -4.381 5.923 10.387 1.00 73.42 H new ATOM 0 HD23 LEU A 78 -3.026 4.779 10.536 1.00 73.42 H new ATOM 1272 N LEU A 79 -5.506 0.514 10.128 1.00 63.21 N ATOM 1273 CA LEU A 79 -6.352 -0.435 10.800 1.00 54.52 C ATOM 1274 C LEU A 79 -5.761 -0.668 12.180 1.00 51.33 C ATOM 1275 O LEU A 79 -4.936 -1.558 12.378 1.00 34.44 O ATOM 1276 CB LEU A 79 -6.453 -1.747 10.018 1.00 72.11 C ATOM 1277 CG LEU A 79 -7.291 -2.828 10.694 1.00 42.22 C ATOM 1278 CD1 LEU A 79 -8.739 -2.385 10.821 1.00 1.42 C ATOM 1279 CD2 LEU A 79 -7.197 -4.140 9.932 1.00 22.32 C ATOM 0 H LEU A 79 -4.881 0.107 9.432 1.00 63.21 H new ATOM 0 HA LEU A 79 -7.367 -0.045 10.878 1.00 54.52 H new ATOM 0 HB2 LEU A 79 -6.878 -1.537 9.036 1.00 72.11 H new ATOM 0 HB3 LEU A 79 -5.448 -2.135 9.854 1.00 72.11 H new ATOM 0 HG LEU A 79 -6.893 -2.987 11.696 1.00 42.22 H new ATOM 0 HD11 LEU A 79 -9.319 -3.171 11.306 1.00 1.42 H new ATOM 0 HD12 LEU A 79 -8.790 -1.475 11.419 1.00 1.42 H new ATOM 0 HD13 LEU A 79 -9.148 -2.191 9.830 1.00 1.42 H new ATOM 0 HD21 LEU A 79 -7.802 -4.896 10.433 1.00 22.32 H new ATOM 0 HD22 LEU A 79 -7.563 -3.997 8.915 1.00 22.32 H new ATOM 0 HD23 LEU A 79 -6.158 -4.469 9.901 1.00 22.32 H new ATOM 1291 N GLU A 80 -6.154 0.182 13.110 1.00 54.21 N ATOM 1292 CA GLU A 80 -5.484 0.285 14.395 1.00 2.54 C ATOM 1293 C GLU A 80 -5.696 -0.948 15.264 1.00 5.23 C ATOM 1294 O GLU A 80 -6.743 -1.127 15.883 1.00 31.14 O ATOM 1295 CB GLU A 80 -5.950 1.548 15.117 1.00 71.33 C ATOM 1296 CG GLU A 80 -5.644 2.822 14.341 1.00 62.45 C ATOM 1297 CD GLU A 80 -6.369 4.031 14.885 1.00 32.23 C ATOM 1298 OE1 GLU A 80 -7.532 4.255 14.484 1.00 10.33 O ATOM 1299 OE2 GLU A 80 -5.787 4.762 15.714 1.00 40.41 O ATOM 0 H GLU A 80 -6.943 0.818 12.998 1.00 54.21 H new ATOM 0 HA GLU A 80 -4.412 0.348 14.207 1.00 2.54 H new ATOM 0 HB2 GLU A 80 -7.024 1.485 15.292 1.00 71.33 H new ATOM 0 HB3 GLU A 80 -5.470 1.600 16.094 1.00 71.33 H new ATOM 0 HG2 GLU A 80 -4.570 3.007 14.366 1.00 62.45 H new ATOM 0 HG3 GLU A 80 -5.919 2.680 13.296 1.00 62.45 H new ATOM 1306 N HIS A 81 -4.687 -1.804 15.278 1.00 52.35 N ATOM 1307 CA HIS A 81 -4.656 -2.944 16.175 1.00 33.02 C ATOM 1308 C HIS A 81 -3.380 -2.884 17.002 1.00 73.33 C ATOM 1309 O HIS A 81 -2.289 -2.703 16.462 1.00 53.32 O ATOM 1310 CB HIS A 81 -4.767 -4.277 15.410 1.00 23.11 C ATOM 1311 CG HIS A 81 -3.675 -4.534 14.410 1.00 45.21 C ATOM 1312 ND1 HIS A 81 -3.491 -4.066 13.150 1.00 60.11 N flip ATOM 1313 CD2 HIS A 81 -2.624 -5.388 14.650 1.00 14.23 C flip ATOM 1314 CE1 HIS A 81 -2.346 -4.644 12.660 1.00 12.15 C flip ATOM 1315 NE2 HIS A 81 -1.844 -5.434 13.589 1.00 52.12 N flip ATOM 0 H HIS A 81 -3.871 -1.728 14.671 1.00 52.35 H new ATOM 0 HA HIS A 81 -5.520 -2.898 16.838 1.00 33.02 H new ATOM 0 HB2 HIS A 81 -4.775 -5.093 16.133 1.00 23.11 H new ATOM 0 HB3 HIS A 81 -5.726 -4.301 14.892 1.00 23.11 H new ATOM 0 HD1 HIS A 81 -4.093 -3.406 12.657 1.00 60.11 H new ATOM 0 HD2 HIS A 81 -2.463 -5.936 15.566 1.00 14.23 H new ATOM 0 HE1 HIS A 81 -1.927 -4.479 11.678 1.00 12.15 H new ATOM 1324 N HIS A 82 -3.523 -3.022 18.309 1.00 75.31 N ATOM 1325 CA HIS A 82 -2.411 -2.824 19.233 1.00 3.13 C ATOM 1326 C HIS A 82 -1.549 -4.081 19.336 1.00 64.42 C ATOM 1327 O HIS A 82 -1.309 -4.603 20.422 1.00 71.52 O ATOM 1328 CB HIS A 82 -2.950 -2.431 20.613 1.00 53.54 C ATOM 1329 CG HIS A 82 -1.915 -1.852 21.526 1.00 35.50 C ATOM 1330 ND1 HIS A 82 -1.430 -2.516 22.630 1.00 52.21 N ATOM 1331 CD2 HIS A 82 -1.289 -0.655 21.505 1.00 62.24 C ATOM 1332 CE1 HIS A 82 -0.551 -1.752 23.247 1.00 71.24 C ATOM 1333 NE2 HIS A 82 -0.447 -0.615 22.584 1.00 73.53 N ATOM 0 H HIS A 82 -4.403 -3.272 18.760 1.00 75.31 H new ATOM 0 HA HIS A 82 -1.782 -2.020 18.850 1.00 3.13 H new ATOM 0 HB2 HIS A 82 -3.754 -1.706 20.485 1.00 53.54 H new ATOM 0 HB3 HIS A 82 -3.386 -3.311 21.086 1.00 53.54 H new ATOM 0 HD2 HIS A 82 -1.427 0.126 20.772 1.00 62.24 H new ATOM 0 HE1 HIS A 82 -0.008 -2.012 24.143 1.00 71.24 H new ATOM 0 HE2 HIS A 82 0.161 0.165 22.834 1.00 73.53 H new ATOM 1342 N HIS A 83 -1.095 -4.564 18.189 1.00 54.41 N ATOM 1343 CA HIS A 83 -0.238 -5.742 18.123 1.00 2.21 C ATOM 1344 C HIS A 83 0.735 -5.588 16.961 1.00 2.05 C ATOM 1345 O HIS A 83 0.321 -5.537 15.803 1.00 40.03 O ATOM 1346 CB HIS A 83 -1.059 -7.027 17.939 1.00 23.43 C ATOM 1347 CG HIS A 83 -2.052 -7.300 19.033 1.00 51.22 C ATOM 1348 ND1 HIS A 83 -1.703 -7.836 20.252 1.00 52.02 N ATOM 1349 CD2 HIS A 83 -3.392 -7.107 19.082 1.00 43.54 C ATOM 1350 CE1 HIS A 83 -2.782 -7.961 21.003 1.00 63.21 C ATOM 1351 NE2 HIS A 83 -3.820 -7.525 20.315 1.00 52.23 N ATOM 0 H HIS A 83 -1.308 -4.153 17.280 1.00 54.41 H new ATOM 0 HA HIS A 83 0.306 -5.823 19.064 1.00 2.21 H new ATOM 0 HB2 HIS A 83 -1.592 -6.969 16.990 1.00 23.43 H new ATOM 0 HB3 HIS A 83 -0.374 -7.872 17.869 1.00 23.43 H new ATOM 0 HD2 HIS A 83 -4.009 -6.699 18.295 1.00 43.54 H new ATOM 0 HE1 HIS A 83 -2.810 -8.353 22.009 1.00 63.21 H new ATOM 0 HE2 HIS A 83 -4.784 -7.503 20.647 1.00 52.23 H new ATOM 1360 N HIS A 84 2.016 -5.486 17.269 1.00 32.40 N ATOM 1361 CA HIS A 84 3.028 -5.278 16.244 1.00 61.23 C ATOM 1362 C HIS A 84 3.551 -6.590 15.672 1.00 41.34 C ATOM 1363 O HIS A 84 3.930 -7.500 16.410 1.00 1.32 O ATOM 1364 CB HIS A 84 4.201 -4.465 16.799 1.00 71.33 C ATOM 1365 CG HIS A 84 4.164 -3.015 16.422 1.00 24.54 C ATOM 1366 ND1 HIS A 84 5.102 -2.427 15.594 1.00 53.41 N ATOM 1367 CD2 HIS A 84 3.297 -2.032 16.761 1.00 62.32 C ATOM 1368 CE1 HIS A 84 4.810 -1.148 15.444 1.00 32.13 C ATOM 1369 NE2 HIS A 84 3.721 -0.884 16.139 1.00 42.33 N ATOM 0 H HIS A 84 2.382 -5.544 18.219 1.00 32.40 H new ATOM 0 HA HIS A 84 2.545 -4.726 15.437 1.00 61.23 H new ATOM 0 HB2 HIS A 84 4.207 -4.548 17.886 1.00 71.33 H new ATOM 0 HB3 HIS A 84 5.134 -4.900 16.441 1.00 71.33 H new ATOM 0 HD1 HIS A 84 5.895 -2.906 15.166 1.00 53.41 H new ATOM 0 HD2 HIS A 84 2.433 -2.132 17.401 1.00 62.32 H new ATOM 0 HE1 HIS A 84 5.369 -0.438 14.852 1.00 32.13 H new ATOM 1378 N HIS A 85 3.562 -6.678 14.347 1.00 25.52 N ATOM 1379 CA HIS A 85 4.245 -7.764 13.659 1.00 32.13 C ATOM 1380 C HIS A 85 5.683 -7.346 13.415 1.00 71.02 C ATOM 1381 O HIS A 85 6.621 -8.118 13.610 1.00 63.14 O ATOM 1382 CB HIS A 85 3.574 -8.094 12.318 1.00 70.35 C ATOM 1383 CG HIS A 85 2.213 -8.706 12.436 1.00 50.33 C ATOM 1384 ND1 HIS A 85 2.002 -10.065 12.500 1.00 61.50 N ATOM 1385 CD2 HIS A 85 0.988 -8.137 12.478 1.00 42.13 C ATOM 1386 CE1 HIS A 85 0.709 -10.305 12.576 1.00 61.32 C ATOM 1387 NE2 HIS A 85 0.070 -9.152 12.564 1.00 72.51 N ATOM 0 H HIS A 85 3.105 -6.009 13.728 1.00 25.52 H new ATOM 0 HA HIS A 85 4.199 -8.658 14.281 1.00 32.13 H new ATOM 0 HB2 HIS A 85 3.497 -7.179 11.730 1.00 70.35 H new ATOM 0 HB3 HIS A 85 4.218 -8.776 11.763 1.00 70.35 H new ATOM 0 HD2 HIS A 85 0.772 -7.079 12.449 1.00 42.13 H new ATOM 0 HE1 HIS A 85 0.250 -11.281 12.638 1.00 61.32 H new ATOM 0 HE2 HIS A 85 -0.942 -9.034 12.611 1.00 72.51 H new ATOM 1396 N HIS A 86 5.831 -6.099 12.996 1.00 24.54 N ATOM 1397 CA HIS A 86 7.129 -5.498 12.761 1.00 60.13 C ATOM 1398 C HIS A 86 7.068 -4.033 13.182 1.00 70.30 C ATOM 1399 O HIS A 86 6.864 -3.169 12.309 1.00 39.43 O ATOM 1400 CB HIS A 86 7.509 -5.629 11.276 1.00 62.05 C ATOM 1401 CG HIS A 86 8.889 -5.140 10.934 1.00 24.31 C ATOM 1402 ND1 HIS A 86 9.980 -5.976 10.821 1.00 21.13 N ATOM 1403 CD2 HIS A 86 9.348 -3.895 10.655 1.00 32.15 C ATOM 1404 CE1 HIS A 86 11.045 -5.269 10.492 1.00 54.53 C ATOM 1405 NE2 HIS A 86 10.688 -4.006 10.386 1.00 13.45 N ATOM 1406 OXT HIS A 86 7.174 -3.761 14.398 1.00 39.43 O ATOM 0 H HIS A 86 5.047 -5.474 12.809 1.00 24.54 H new ATOM 0 HA HIS A 86 7.893 -6.009 13.346 1.00 60.13 H new ATOM 0 HB2 HIS A 86 7.427 -6.676 10.985 1.00 62.05 H new ATOM 0 HB3 HIS A 86 6.784 -5.075 10.679 1.00 62.05 H new ATOM 0 HD2 HIS A 86 8.766 -2.985 10.646 1.00 32.15 H new ATOM 0 HE1 HIS A 86 12.040 -5.660 10.336 1.00 54.53 H new ATOM 0 HE2 HIS A 86 11.309 -3.234 10.143 1.00 13.45 H new TER 1415 HIS A 86