USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 429 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 41 SER OG : rot -66:sc= 1.05 USER MOD Set 1.2: A 49 TYR OH : rot 37:sc= 0.744 USER MOD Set 2.1: A 2 THR OG1 : rot -22:sc= 0.127 USER MOD Set 2.2: A 3 HIS : no HD1:sc= 0 X(o=0.13,f=0.12) USER MOD Single : A 4 HIS : no HD1:sc= 0.937 K(o=0.94,f=-4.2!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0668 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -19:sc= 1.02 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 18:sc= 0.191 USER MOD Single : A 24 ASN : amide:sc= 0.827 K(o=0.83,f=-5.9!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 30:sc= -0.509 USER MOD Single : A 43 TYR OH : rot -129:sc= 0.339 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -160:sc= -0.749 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot -10:sc= 0.361 USER MOD Single : A 63 THR OG1 : rot -49:sc= 1.07 USER MOD Single : A 67 SER OG : rot 106:sc= 0.275 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 13.278 6.288 11.563 1.00 0.00 N ATOM 21 CA THR A 2 12.927 7.061 10.383 1.00 0.00 C ATOM 22 C THR A 2 12.243 6.163 9.366 1.00 0.00 C ATOM 23 O THR A 2 11.452 6.617 8.538 1.00 0.00 O ATOM 24 CB THR A 2 14.169 7.702 9.737 1.00 0.00 C ATOM 25 OG1 THR A 2 15.177 6.704 9.512 1.00 0.00 O ATOM 26 CG2 THR A 2 14.727 8.809 10.618 1.00 0.00 C ATOM 0 HA THR A 2 12.252 7.858 10.696 1.00 0.00 H new ATOM 0 HB THR A 2 13.872 8.136 8.782 1.00 0.00 H new ATOM 0 HG1 THR A 2 15.018 5.939 10.104 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.604 9.247 10.141 1.00 0.00 H new ATOM 0 HG22 THR A 2 13.968 9.579 10.759 1.00 0.00 H new ATOM 0 HG23 THR A 2 15.009 8.396 11.586 1.00 0.00 H new ATOM 34 N HIS A 3 12.541 4.877 9.458 1.00 0.00 N ATOM 35 CA HIS A 3 12.023 3.902 8.518 1.00 0.00 C ATOM 36 C HIS A 3 11.374 2.735 9.253 1.00 0.00 C ATOM 37 O HIS A 3 11.911 2.235 10.240 1.00 0.00 O ATOM 38 CB HIS A 3 13.144 3.403 7.591 1.00 0.00 C ATOM 39 CG HIS A 3 14.307 2.770 8.303 1.00 0.00 C ATOM 40 ND1 HIS A 3 15.434 3.473 8.679 1.00 0.00 N ATOM 41 CD2 HIS A 3 14.517 1.491 8.699 1.00 0.00 C ATOM 42 CE1 HIS A 3 16.281 2.653 9.274 1.00 0.00 C ATOM 43 NE2 HIS A 3 15.749 1.448 9.300 1.00 0.00 N ATOM 0 H HIS A 3 13.144 4.484 10.181 1.00 0.00 H new ATOM 0 HA HIS A 3 11.260 4.385 7.908 1.00 0.00 H new ATOM 0 HB2 HIS A 3 12.725 2.679 6.892 1.00 0.00 H new ATOM 0 HB3 HIS A 3 13.510 4.242 7.000 1.00 0.00 H new ATOM 0 HD2 HIS A 3 13.840 0.660 8.566 1.00 0.00 H new ATOM 0 HE1 HIS A 3 17.247 2.925 9.672 1.00 0.00 H new ATOM 0 HE2 HIS A 3 16.183 0.617 9.702 1.00 0.00 H new ATOM 52 N HIS A 4 10.212 2.327 8.779 1.00 0.00 N ATOM 53 CA HIS A 4 9.540 1.147 9.297 1.00 0.00 C ATOM 54 C HIS A 4 9.602 0.042 8.257 1.00 0.00 C ATOM 55 O HIS A 4 9.076 0.194 7.156 1.00 0.00 O ATOM 56 CB HIS A 4 8.073 1.457 9.641 1.00 0.00 C ATOM 57 CG HIS A 4 7.299 0.279 10.138 1.00 0.00 C ATOM 58 ND1 HIS A 4 7.493 -0.307 11.371 1.00 0.00 N ATOM 59 CD2 HIS A 4 6.323 -0.418 9.540 1.00 0.00 C ATOM 60 CE1 HIS A 4 6.663 -1.327 11.502 1.00 0.00 C ATOM 61 NE2 HIS A 4 5.938 -1.416 10.403 1.00 0.00 N ATOM 0 H HIS A 4 9.708 2.800 8.028 1.00 0.00 H new ATOM 0 HA HIS A 4 10.043 0.828 10.210 1.00 0.00 H new ATOM 0 HB2 HIS A 4 8.047 2.241 10.398 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.579 1.854 8.754 1.00 0.00 H new ATOM 0 HD2 HIS A 4 5.914 -0.230 8.559 1.00 0.00 H new ATOM 0 HE1 HIS A 4 6.590 -1.977 12.362 1.00 0.00 H new ATOM 0 HE2 HIS A 4 5.212 -2.110 10.224 1.00 0.00 H new ATOM 70 N THR A 5 10.247 -1.055 8.606 1.00 0.00 N ATOM 71 CA THR A 5 10.334 -2.199 7.737 1.00 0.00 C ATOM 72 C THR A 5 9.230 -3.191 8.069 1.00 0.00 C ATOM 73 O THR A 5 8.920 -3.412 9.241 1.00 0.00 O ATOM 74 CB THR A 5 11.702 -2.867 7.893 1.00 0.00 C ATOM 75 OG1 THR A 5 12.129 -2.783 9.260 1.00 0.00 O ATOM 76 CG2 THR A 5 12.730 -2.214 6.985 1.00 0.00 C ATOM 0 H THR A 5 10.723 -1.172 9.501 1.00 0.00 H new ATOM 0 HA THR A 5 10.214 -1.871 6.705 1.00 0.00 H new ATOM 0 HB THR A 5 11.611 -3.915 7.606 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.004 -3.213 9.356 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.694 -2.706 7.114 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.411 -2.308 5.947 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.824 -1.159 7.242 1.00 0.00 H new ATOM 84 N GLU A 6 8.618 -3.757 7.043 1.00 0.00 N ATOM 85 CA GLU A 6 7.534 -4.704 7.234 1.00 0.00 C ATOM 86 C GLU A 6 7.609 -5.801 6.178 1.00 0.00 C ATOM 87 O GLU A 6 7.862 -5.522 5.008 1.00 0.00 O ATOM 88 CB GLU A 6 6.190 -3.976 7.132 1.00 0.00 C ATOM 89 CG GLU A 6 5.029 -4.712 7.780 1.00 0.00 C ATOM 90 CD GLU A 6 5.058 -4.610 9.288 1.00 0.00 C ATOM 91 OE1 GLU A 6 4.491 -3.636 9.832 1.00 0.00 O ATOM 92 OE2 GLU A 6 5.645 -5.493 9.940 1.00 0.00 O ATOM 0 H GLU A 6 8.854 -3.576 6.067 1.00 0.00 H new ATOM 0 HA GLU A 6 7.624 -5.156 8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.286 -2.994 7.595 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.958 -3.811 6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.089 -4.304 7.408 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.058 -5.762 7.488 1.00 0.00 H new ATOM 99 N VAL A 7 7.410 -7.040 6.592 1.00 0.00 N ATOM 100 CA VAL A 7 7.365 -8.158 5.660 1.00 0.00 C ATOM 101 C VAL A 7 5.980 -8.782 5.679 1.00 0.00 C ATOM 102 O VAL A 7 5.533 -9.297 6.703 1.00 0.00 O ATOM 103 CB VAL A 7 8.425 -9.237 5.981 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.242 -10.461 5.092 1.00 0.00 C ATOM 105 CG2 VAL A 7 9.824 -8.673 5.808 1.00 0.00 C ATOM 0 H VAL A 7 7.276 -7.300 7.569 1.00 0.00 H new ATOM 0 HA VAL A 7 7.590 -7.765 4.668 1.00 0.00 H new ATOM 0 HB VAL A 7 8.292 -9.542 7.019 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.000 -11.205 5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.251 -10.884 5.255 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.344 -10.170 4.047 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.558 -9.445 6.038 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.957 -8.340 4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.962 -7.829 6.483 1.00 0.00 H new ATOM 115 N PHE A 8 5.299 -8.719 4.549 1.00 0.00 N ATOM 116 CA PHE A 8 3.951 -9.245 4.451 1.00 0.00 C ATOM 117 C PHE A 8 3.837 -10.172 3.251 1.00 0.00 C ATOM 118 O PHE A 8 3.890 -9.719 2.109 1.00 0.00 O ATOM 119 CB PHE A 8 2.958 -8.090 4.330 1.00 0.00 C ATOM 120 CG PHE A 8 1.572 -8.434 4.793 1.00 0.00 C ATOM 121 CD1 PHE A 8 1.222 -8.283 6.124 1.00 0.00 C ATOM 122 CD2 PHE A 8 0.620 -8.903 3.904 1.00 0.00 C ATOM 123 CE1 PHE A 8 -0.051 -8.594 6.561 1.00 0.00 C ATOM 124 CE2 PHE A 8 -0.653 -9.213 4.337 1.00 0.00 C ATOM 125 CZ PHE A 8 -0.988 -9.058 5.666 1.00 0.00 C ATOM 0 H PHE A 8 5.658 -8.309 3.687 1.00 0.00 H new ATOM 0 HA PHE A 8 3.721 -9.817 5.350 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.326 -7.244 4.911 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.914 -7.768 3.290 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.953 -7.917 6.830 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.876 -9.027 2.862 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.310 -8.473 7.602 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.388 -9.577 3.634 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.985 -9.301 6.004 1.00 0.00 H new ATOM 135 N GLU A 9 3.729 -11.471 3.520 1.00 0.00 N ATOM 136 CA GLU A 9 3.559 -12.485 2.474 1.00 0.00 C ATOM 137 C GLU A 9 4.692 -12.434 1.439 1.00 0.00 C ATOM 138 O GLU A 9 4.524 -12.852 0.293 1.00 0.00 O ATOM 139 CB GLU A 9 2.198 -12.318 1.788 1.00 0.00 C ATOM 140 CG GLU A 9 1.011 -12.466 2.732 1.00 0.00 C ATOM 141 CD GLU A 9 0.988 -13.804 3.433 1.00 0.00 C ATOM 142 OE1 GLU A 9 0.459 -14.773 2.860 1.00 0.00 O ATOM 143 OE2 GLU A 9 1.496 -13.886 4.569 1.00 0.00 O ATOM 0 H GLU A 9 3.756 -11.853 4.465 1.00 0.00 H new ATOM 0 HA GLU A 9 3.599 -13.463 2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.156 -11.335 1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.110 -13.056 0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.043 -11.671 3.477 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.086 -12.339 2.169 1.00 0.00 H new ATOM 150 N GLY A 10 5.851 -11.933 1.854 1.00 0.00 N ATOM 151 CA GLY A 10 6.993 -11.871 0.960 1.00 0.00 C ATOM 152 C GLY A 10 7.224 -10.482 0.399 1.00 0.00 C ATOM 153 O GLY A 10 8.208 -10.243 -0.302 1.00 0.00 O ATOM 0 H GLY A 10 6.020 -11.569 2.792 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.886 -12.195 1.495 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.843 -12.570 0.137 1.00 0.00 H new ATOM 157 N GLY A 11 6.320 -9.566 0.704 1.00 0.00 N ATOM 158 CA GLY A 11 6.465 -8.201 0.247 1.00 0.00 C ATOM 159 C GLY A 11 7.159 -7.341 1.280 1.00 0.00 C ATOM 160 O GLY A 11 6.965 -7.537 2.480 1.00 0.00 O ATOM 0 H GLY A 11 5.485 -9.744 1.262 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.034 -8.186 -0.682 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.483 -7.784 0.026 1.00 0.00 H new ATOM 164 N THR A 12 7.967 -6.396 0.824 1.00 0.00 N ATOM 165 CA THR A 12 8.713 -5.539 1.725 1.00 0.00 C ATOM 166 C THR A 12 8.096 -4.148 1.781 1.00 0.00 C ATOM 167 O THR A 12 8.054 -3.436 0.780 1.00 0.00 O ATOM 168 CB THR A 12 10.187 -5.430 1.295 1.00 0.00 C ATOM 169 OG1 THR A 12 10.747 -6.746 1.153 1.00 0.00 O ATOM 170 CG2 THR A 12 10.990 -4.636 2.316 1.00 0.00 C ATOM 0 H THR A 12 8.121 -6.205 -0.166 1.00 0.00 H new ATOM 0 HA THR A 12 8.669 -5.990 2.716 1.00 0.00 H new ATOM 0 HB THR A 12 10.232 -4.908 0.339 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.685 -6.674 0.878 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.029 -4.572 1.992 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.575 -3.632 2.404 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.942 -5.135 3.284 1.00 0.00 H new ATOM 178 N ILE A 13 7.617 -3.774 2.955 1.00 0.00 N ATOM 179 CA ILE A 13 7.031 -2.464 3.150 1.00 0.00 C ATOM 180 C ILE A 13 8.063 -1.520 3.746 1.00 0.00 C ATOM 181 O ILE A 13 8.599 -1.764 4.830 1.00 0.00 O ATOM 182 CB ILE A 13 5.793 -2.523 4.072 1.00 0.00 C ATOM 183 CG1 ILE A 13 4.726 -3.444 3.470 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.228 -1.124 4.307 1.00 0.00 C ATOM 185 CD1 ILE A 13 3.496 -3.604 4.344 1.00 0.00 C ATOM 0 H ILE A 13 7.624 -4.363 3.788 1.00 0.00 H new ATOM 0 HA ILE A 13 6.709 -2.097 2.175 1.00 0.00 H new ATOM 0 HB ILE A 13 6.098 -2.931 5.036 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.423 -3.049 2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.165 -4.426 3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.357 -1.188 4.959 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.987 -0.499 4.777 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.936 -0.685 3.353 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.785 -4.269 3.854 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.786 -4.028 5.306 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.033 -2.630 4.502 1.00 0.00 H new ATOM 197 N ASP A 14 8.341 -0.459 3.014 1.00 0.00 N ATOM 198 CA ASP A 14 9.304 0.547 3.419 1.00 0.00 C ATOM 199 C ASP A 14 8.585 1.860 3.694 1.00 0.00 C ATOM 200 O ASP A 14 8.148 2.546 2.767 1.00 0.00 O ATOM 201 CB ASP A 14 10.351 0.764 2.318 1.00 0.00 C ATOM 202 CG ASP A 14 11.184 -0.467 2.007 1.00 0.00 C ATOM 203 OD1 ASP A 14 12.147 -0.747 2.754 1.00 0.00 O ATOM 204 OD2 ASP A 14 10.910 -1.130 0.980 1.00 0.00 O ATOM 0 H ASP A 14 7.901 -0.269 2.114 1.00 0.00 H new ATOM 0 HA ASP A 14 9.807 0.203 4.323 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.845 1.087 1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.016 1.574 2.618 1.00 0.00 H new ATOM 209 N ILE A 15 8.439 2.200 4.960 1.00 0.00 N ATOM 210 CA ILE A 15 7.778 3.441 5.337 1.00 0.00 C ATOM 211 C ILE A 15 8.790 4.415 5.919 1.00 0.00 C ATOM 212 O ILE A 15 9.447 4.110 6.909 1.00 0.00 O ATOM 213 CB ILE A 15 6.658 3.195 6.370 1.00 0.00 C ATOM 214 CG1 ILE A 15 5.649 2.179 5.827 1.00 0.00 C ATOM 215 CG2 ILE A 15 5.963 4.507 6.716 1.00 0.00 C ATOM 216 CD1 ILE A 15 4.580 1.800 6.825 1.00 0.00 C ATOM 0 H ILE A 15 8.767 1.638 5.745 1.00 0.00 H new ATOM 0 HA ILE A 15 7.331 3.862 4.437 1.00 0.00 H new ATOM 0 HB ILE A 15 7.102 2.788 7.279 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.174 2.591 4.936 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.181 1.280 5.518 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.175 4.320 7.446 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.689 5.203 7.136 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.528 4.937 5.814 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.900 1.077 6.373 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.045 1.359 7.706 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.022 2.690 7.116 1.00 0.00 H new ATOM 228 N GLU A 16 8.922 5.576 5.302 1.00 0.00 N ATOM 229 CA GLU A 16 9.880 6.561 5.765 1.00 0.00 C ATOM 230 C GLU A 16 9.216 7.865 6.160 1.00 0.00 C ATOM 231 O GLU A 16 8.509 8.485 5.364 1.00 0.00 O ATOM 232 CB GLU A 16 10.938 6.836 4.710 1.00 0.00 C ATOM 233 CG GLU A 16 12.032 5.780 4.657 1.00 0.00 C ATOM 234 CD GLU A 16 13.108 6.093 3.640 1.00 0.00 C ATOM 235 OE1 GLU A 16 13.847 7.082 3.835 1.00 0.00 O ATOM 236 OE2 GLU A 16 13.224 5.353 2.643 1.00 0.00 O ATOM 0 H GLU A 16 8.381 5.858 4.484 1.00 0.00 H new ATOM 0 HA GLU A 16 10.353 6.136 6.650 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.458 6.900 3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.391 7.808 4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.488 5.687 5.643 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.586 4.814 4.420 1.00 0.00 H new ATOM 243 N ASP A 17 9.462 8.251 7.404 1.00 0.00 N ATOM 244 CA ASP A 17 9.036 9.536 7.953 1.00 0.00 C ATOM 245 C ASP A 17 7.585 9.867 7.593 1.00 0.00 C ATOM 246 O ASP A 17 7.294 10.958 7.092 1.00 0.00 O ATOM 247 CB ASP A 17 9.978 10.648 7.485 1.00 0.00 C ATOM 248 CG ASP A 17 9.888 11.889 8.355 1.00 0.00 C ATOM 249 OD1 ASP A 17 10.179 11.790 9.568 1.00 0.00 O ATOM 250 OD2 ASP A 17 9.557 12.973 7.829 1.00 0.00 O ATOM 0 H ASP A 17 9.971 7.673 8.073 1.00 0.00 H new ATOM 0 HA ASP A 17 9.084 9.461 9.039 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.003 10.278 7.490 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.740 10.912 6.455 1.00 0.00 H new ATOM 255 N ASP A 18 6.696 8.890 7.810 1.00 0.00 N ATOM 256 CA ASP A 18 5.242 9.070 7.659 1.00 0.00 C ATOM 257 C ASP A 18 4.794 9.116 6.200 1.00 0.00 C ATOM 258 O ASP A 18 3.913 8.364 5.790 1.00 0.00 O ATOM 259 CB ASP A 18 4.771 10.340 8.391 1.00 0.00 C ATOM 260 CG ASP A 18 3.393 10.810 7.953 1.00 0.00 C ATOM 261 OD1 ASP A 18 2.386 10.354 8.542 1.00 0.00 O ATOM 262 OD2 ASP A 18 3.315 11.653 7.028 1.00 0.00 O ATOM 0 H ASP A 18 6.963 7.948 8.096 1.00 0.00 H new ATOM 0 HA ASP A 18 4.778 8.193 8.111 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.758 10.149 9.464 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.492 11.139 8.218 1.00 0.00 H new ATOM 267 N THR A 19 5.409 9.987 5.423 1.00 0.00 N ATOM 268 CA THR A 19 4.902 10.325 4.103 1.00 0.00 C ATOM 269 C THR A 19 5.469 9.425 3.004 1.00 0.00 C ATOM 270 O THR A 19 4.790 9.147 2.015 1.00 0.00 O ATOM 271 CB THR A 19 5.202 11.798 3.793 1.00 0.00 C ATOM 272 OG1 THR A 19 4.826 12.605 4.922 1.00 0.00 O ATOM 273 CG2 THR A 19 4.449 12.271 2.559 1.00 0.00 C ATOM 0 H THR A 19 6.265 10.477 5.683 1.00 0.00 H new ATOM 0 HA THR A 19 3.824 10.162 4.118 1.00 0.00 H new ATOM 0 HB THR A 19 6.270 11.896 3.596 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.202 12.105 5.489 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.684 13.318 2.368 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.745 11.670 1.699 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.377 12.164 2.724 1.00 0.00 H new ATOM 281 N SER A 20 6.699 8.955 3.174 1.00 0.00 N ATOM 282 CA SER A 20 7.330 8.121 2.160 1.00 0.00 C ATOM 283 C SER A 20 6.817 6.689 2.267 1.00 0.00 C ATOM 284 O SER A 20 7.190 5.955 3.185 1.00 0.00 O ATOM 285 CB SER A 20 8.855 8.135 2.315 1.00 0.00 C ATOM 286 OG SER A 20 9.500 7.753 1.109 1.00 0.00 O ATOM 0 H SER A 20 7.274 9.135 3.997 1.00 0.00 H new ATOM 0 HA SER A 20 7.076 8.525 1.180 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.184 9.133 2.605 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.147 7.457 3.117 1.00 0.00 H new ATOM 0 HG SER A 20 10.471 7.773 1.237 1.00 0.00 H new ATOM 292 N LEU A 21 5.939 6.304 1.349 1.00 0.00 N ATOM 293 CA LEU A 21 5.414 4.947 1.332 1.00 0.00 C ATOM 294 C LEU A 21 5.964 4.204 0.120 1.00 0.00 C ATOM 295 O LEU A 21 5.673 4.558 -1.026 1.00 0.00 O ATOM 296 CB LEU A 21 3.877 4.957 1.287 1.00 0.00 C ATOM 297 CG LEU A 21 3.176 3.779 1.986 1.00 0.00 C ATOM 298 CD1 LEU A 21 3.638 2.440 1.432 1.00 0.00 C ATOM 299 CD2 LEU A 21 3.408 3.843 3.486 1.00 0.00 C ATOM 0 H LEU A 21 5.578 6.909 0.611 1.00 0.00 H new ATOM 0 HA LEU A 21 5.726 4.440 2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.526 5.884 1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.564 4.973 0.243 1.00 0.00 H new ATOM 0 HG LEU A 21 2.107 3.864 1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.120 1.633 1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.413 2.390 0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.713 2.336 1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.906 3.004 3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.477 3.793 3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.007 4.778 3.877 1.00 0.00 H new ATOM 311 N THR A 22 6.747 3.173 0.383 1.00 0.00 N ATOM 312 CA THR A 22 7.339 2.369 -0.669 1.00 0.00 C ATOM 313 C THR A 22 7.195 0.886 -0.355 1.00 0.00 C ATOM 314 O THR A 22 7.284 0.482 0.797 1.00 0.00 O ATOM 315 CB THR A 22 8.831 2.718 -0.870 1.00 0.00 C ATOM 316 OG1 THR A 22 9.425 3.133 0.370 1.00 0.00 O ATOM 317 CG2 THR A 22 8.991 3.817 -1.908 1.00 0.00 C ATOM 0 H THR A 22 6.989 2.871 1.327 1.00 0.00 H new ATOM 0 HA THR A 22 6.806 2.592 -1.593 1.00 0.00 H new ATOM 0 HB THR A 22 9.340 1.822 -1.224 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.862 2.839 1.117 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.049 4.047 -2.034 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.577 3.482 -2.859 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.462 4.711 -1.576 1.00 0.00 H new ATOM 325 N ILE A 23 6.933 0.087 -1.372 1.00 0.00 N ATOM 326 CA ILE A 23 6.880 -1.358 -1.212 1.00 0.00 C ATOM 327 C ILE A 23 7.756 -2.011 -2.270 1.00 0.00 C ATOM 328 O ILE A 23 7.509 -1.852 -3.465 1.00 0.00 O ATOM 329 CB ILE A 23 5.433 -1.901 -1.307 1.00 0.00 C ATOM 330 CG1 ILE A 23 4.578 -1.332 -0.168 1.00 0.00 C ATOM 331 CG2 ILE A 23 5.423 -3.426 -1.277 1.00 0.00 C ATOM 332 CD1 ILE A 23 3.122 -1.748 -0.221 1.00 0.00 C ATOM 0 H ILE A 23 6.753 0.413 -2.321 1.00 0.00 H new ATOM 0 HA ILE A 23 7.250 -1.603 -0.216 1.00 0.00 H new ATOM 0 HB ILE A 23 5.006 -1.580 -2.257 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.002 -1.651 0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.635 -0.244 -0.194 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.396 -3.785 -1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.998 -3.810 -2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.868 -3.775 -0.345 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.586 -1.304 0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.679 -1.405 -1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.052 -2.834 -0.163 1.00 0.00 H new ATOM 344 N ASN A 24 8.806 -2.699 -1.819 1.00 0.00 N ATOM 345 CA ASN A 24 9.770 -3.356 -2.714 1.00 0.00 C ATOM 346 C ASN A 24 10.553 -2.341 -3.549 1.00 0.00 C ATOM 347 O ASN A 24 11.304 -2.716 -4.452 1.00 0.00 O ATOM 348 CB ASN A 24 9.067 -4.345 -3.653 1.00 0.00 C ATOM 349 CG ASN A 24 8.599 -5.608 -2.958 1.00 0.00 C ATOM 350 OD1 ASN A 24 8.321 -5.613 -1.761 1.00 0.00 O ATOM 351 ND2 ASN A 24 8.506 -6.688 -3.711 1.00 0.00 N ATOM 0 H ASN A 24 9.015 -2.818 -0.828 1.00 0.00 H new ATOM 0 HA ASN A 24 10.469 -3.897 -2.076 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.209 -3.852 -4.111 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.748 -4.615 -4.460 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.194 -7.569 -3.303 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.746 -6.642 -4.701 1.00 0.00 H new ATOM 358 N GLY A 25 10.393 -1.063 -3.236 1.00 0.00 N ATOM 359 CA GLY A 25 11.020 -0.017 -4.024 1.00 0.00 C ATOM 360 C GLY A 25 10.018 0.697 -4.912 1.00 0.00 C ATOM 361 O GLY A 25 10.322 1.735 -5.503 1.00 0.00 O ATOM 0 H GLY A 25 9.838 -0.729 -2.448 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.495 0.704 -3.359 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.808 -0.449 -4.640 1.00 0.00 H new ATOM 365 N LYS A 26 8.825 0.133 -5.005 1.00 0.00 N ATOM 366 CA LYS A 26 7.746 0.718 -5.786 1.00 0.00 C ATOM 367 C LYS A 26 7.000 1.733 -4.927 1.00 0.00 C ATOM 368 O LYS A 26 6.753 1.478 -3.744 1.00 0.00 O ATOM 369 CB LYS A 26 6.790 -0.386 -6.249 1.00 0.00 C ATOM 370 CG LYS A 26 5.713 0.079 -7.218 1.00 0.00 C ATOM 371 CD LYS A 26 6.297 0.434 -8.575 1.00 0.00 C ATOM 372 CE LYS A 26 5.214 0.842 -9.557 1.00 0.00 C ATOM 373 NZ LYS A 26 5.775 1.256 -10.871 1.00 0.00 N ATOM 0 H LYS A 26 8.577 -0.742 -4.542 1.00 0.00 H new ATOM 0 HA LYS A 26 8.154 1.220 -6.663 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.371 -1.177 -6.723 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.310 -0.824 -5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.966 -0.706 -7.337 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.200 0.947 -6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.013 1.248 -8.462 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.846 -0.421 -8.971 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.526 0.009 -9.704 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.635 1.664 -9.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.000 1.526 -11.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.412 2.067 -10.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.306 0.464 -11.287 1.00 0.00 H new ATOM 387 N GLU A 27 6.654 2.880 -5.497 1.00 0.00 N ATOM 388 CA GLU A 27 5.969 3.907 -4.729 1.00 0.00 C ATOM 389 C GLU A 27 4.485 3.585 -4.629 1.00 0.00 C ATOM 390 O GLU A 27 3.869 3.103 -5.587 1.00 0.00 O ATOM 391 CB GLU A 27 6.164 5.308 -5.327 1.00 0.00 C ATOM 392 CG GLU A 27 5.407 5.565 -6.624 1.00 0.00 C ATOM 393 CD GLU A 27 6.090 4.983 -7.841 1.00 0.00 C ATOM 394 OE1 GLU A 27 7.001 5.643 -8.381 1.00 0.00 O ATOM 395 OE2 GLU A 27 5.716 3.873 -8.271 1.00 0.00 O ATOM 0 H GLU A 27 6.833 3.119 -6.472 1.00 0.00 H new ATOM 0 HA GLU A 27 6.410 3.914 -3.732 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.853 6.048 -4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.227 5.465 -5.507 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.405 5.143 -6.542 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.290 6.640 -6.761 1.00 0.00 H new ATOM 402 N ILE A 28 3.917 3.826 -3.465 1.00 0.00 N ATOM 403 CA ILE A 28 2.504 3.598 -3.261 1.00 0.00 C ATOM 404 C ILE A 28 1.786 4.932 -3.128 1.00 0.00 C ATOM 405 O ILE A 28 1.773 5.544 -2.057 1.00 0.00 O ATOM 406 CB ILE A 28 2.231 2.731 -2.018 1.00 0.00 C ATOM 407 CG1 ILE A 28 3.056 1.440 -2.072 1.00 0.00 C ATOM 408 CG2 ILE A 28 0.750 2.404 -1.922 1.00 0.00 C ATOM 409 CD1 ILE A 28 2.732 0.557 -3.259 1.00 0.00 C ATOM 0 H ILE A 28 4.413 4.180 -2.647 1.00 0.00 H new ATOM 0 HA ILE A 28 2.127 3.055 -4.128 1.00 0.00 H new ATOM 0 HB ILE A 28 2.526 3.293 -1.132 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.115 1.697 -2.101 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.890 0.875 -1.155 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.569 1.791 -1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.178 3.328 -1.845 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.439 1.858 -2.813 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.355 -0.337 -3.229 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.682 0.268 -3.222 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.925 1.103 -4.182 1.00 0.00 H new ATOM 421 N SER A 29 1.223 5.392 -4.229 1.00 0.00 N ATOM 422 CA SER A 29 0.541 6.668 -4.256 1.00 0.00 C ATOM 423 C SER A 29 -0.938 6.497 -3.938 1.00 0.00 C ATOM 424 O SER A 29 -1.725 6.100 -4.799 1.00 0.00 O ATOM 425 CB SER A 29 0.717 7.328 -5.626 1.00 0.00 C ATOM 426 OG SER A 29 0.054 8.582 -5.697 1.00 0.00 O ATOM 0 H SER A 29 1.226 4.896 -5.120 1.00 0.00 H new ATOM 0 HA SER A 29 0.981 7.311 -3.494 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.779 7.466 -5.829 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.328 6.667 -6.400 1.00 0.00 H new ATOM 0 HG SER A 29 0.190 8.974 -6.585 1.00 0.00 H new ATOM 432 N TYR A 30 -1.309 6.764 -2.695 1.00 0.00 N ATOM 433 CA TYR A 30 -2.714 6.781 -2.326 1.00 0.00 C ATOM 434 C TYR A 30 -3.294 8.123 -2.717 1.00 0.00 C ATOM 435 O TYR A 30 -2.597 9.139 -2.675 1.00 0.00 O ATOM 436 CB TYR A 30 -2.929 6.586 -0.822 1.00 0.00 C ATOM 437 CG TYR A 30 -2.084 5.507 -0.186 1.00 0.00 C ATOM 438 CD1 TYR A 30 -2.477 4.178 -0.233 1.00 0.00 C ATOM 439 CD2 TYR A 30 -0.906 5.822 0.480 1.00 0.00 C ATOM 440 CE1 TYR A 30 -1.718 3.189 0.365 1.00 0.00 C ATOM 441 CE2 TYR A 30 -0.145 4.840 1.082 1.00 0.00 C ATOM 442 CZ TYR A 30 -0.554 3.525 1.023 1.00 0.00 C ATOM 443 OH TYR A 30 0.201 2.544 1.623 1.00 0.00 O ATOM 0 H TYR A 30 -0.663 6.970 -1.933 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.203 5.956 -2.844 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.725 7.530 -0.317 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -3.979 6.352 -0.649 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.390 3.911 -0.745 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.581 6.851 0.527 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.036 2.158 0.317 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.767 5.101 1.597 1.00 0.00 H new ATOM 0 HH TYR A 30 0.091 1.702 1.134 1.00 0.00 H new ATOM 618 N SER A 41 -6.937 3.984 -3.509 1.00 0.00 N ATOM 619 CA SER A 41 -5.546 3.617 -3.630 1.00 0.00 C ATOM 620 C SER A 41 -5.235 3.159 -5.055 1.00 0.00 C ATOM 621 O SER A 41 -4.071 3.016 -5.429 1.00 0.00 O ATOM 622 CB SER A 41 -5.241 2.504 -2.637 1.00 0.00 C ATOM 623 OG SER A 41 -6.295 1.555 -2.609 1.00 0.00 O ATOM 0 HA SER A 41 -4.922 4.483 -3.411 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.308 2.011 -2.911 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.098 2.926 -1.642 1.00 0.00 H new ATOM 0 HG SER A 41 -7.103 1.974 -2.245 1.00 0.00 H new ATOM 629 N ARG A 42 -6.300 2.907 -5.824 1.00 0.00 N ATOM 630 CA ARG A 42 -6.211 2.492 -7.231 1.00 0.00 C ATOM 631 C ARG A 42 -5.772 1.032 -7.361 1.00 0.00 C ATOM 632 O ARG A 42 -6.374 0.268 -8.114 1.00 0.00 O ATOM 633 CB ARG A 42 -5.270 3.403 -8.032 1.00 0.00 C ATOM 634 CG ARG A 42 -5.259 3.095 -9.519 1.00 0.00 C ATOM 635 CD ARG A 42 -4.283 3.981 -10.273 1.00 0.00 C ATOM 636 NE ARG A 42 -4.323 3.729 -11.711 1.00 0.00 N ATOM 637 CZ ARG A 42 -3.365 4.093 -12.557 1.00 0.00 C ATOM 638 NH1 ARG A 42 -2.272 4.701 -12.112 1.00 0.00 N ATOM 639 NH2 ARG A 42 -3.506 3.857 -13.857 1.00 0.00 N ATOM 0 H ARG A 42 -7.259 2.986 -5.485 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.213 2.586 -7.650 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -5.568 4.441 -7.885 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.258 3.303 -7.640 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.992 2.049 -9.671 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.261 3.231 -9.925 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.519 5.028 -10.081 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.273 3.808 -9.901 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.136 3.244 -12.089 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -2.164 4.891 -11.116 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.540 4.978 -12.766 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.348 3.397 -14.204 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.772 4.135 -14.508 1.00 0.00 H new ATOM 653 N TYR A 43 -4.738 0.649 -6.616 1.00 0.00 N ATOM 654 CA TYR A 43 -4.204 -0.712 -6.667 1.00 0.00 C ATOM 655 C TYR A 43 -5.258 -1.741 -6.255 1.00 0.00 C ATOM 656 O TYR A 43 -5.290 -2.856 -6.779 1.00 0.00 O ATOM 657 CB TYR A 43 -2.974 -0.848 -5.763 1.00 0.00 C ATOM 658 CG TYR A 43 -1.801 0.029 -6.159 1.00 0.00 C ATOM 659 CD1 TYR A 43 -1.098 -0.200 -7.337 1.00 0.00 C ATOM 660 CD2 TYR A 43 -1.381 1.074 -5.340 1.00 0.00 C ATOM 661 CE1 TYR A 43 -0.012 0.586 -7.687 1.00 0.00 C ATOM 662 CE2 TYR A 43 -0.300 1.865 -5.686 1.00 0.00 C ATOM 663 CZ TYR A 43 0.382 1.618 -6.858 1.00 0.00 C ATOM 664 OH TYR A 43 1.468 2.399 -7.200 1.00 0.00 O ATOM 0 H TYR A 43 -4.250 1.265 -5.966 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.914 -0.907 -7.699 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.262 -0.607 -4.740 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.650 -1.889 -5.766 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.404 -1.004 -7.990 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.909 1.270 -4.418 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.524 0.392 -8.604 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.009 2.673 -5.040 1.00 0.00 H new ATOM 0 HH TYR A 43 2.085 2.452 -6.441 1.00 0.00 H new ATOM 674 N LEU A 44 -6.116 -1.366 -5.315 1.00 0.00 N ATOM 675 CA LEU A 44 -7.139 -2.275 -4.812 1.00 0.00 C ATOM 676 C LEU A 44 -8.476 -2.018 -5.491 1.00 0.00 C ATOM 677 O LEU A 44 -8.819 -0.869 -5.791 1.00 0.00 O ATOM 678 CB LEU A 44 -7.303 -2.134 -3.292 1.00 0.00 C ATOM 679 CG LEU A 44 -6.121 -2.614 -2.441 1.00 0.00 C ATOM 680 CD1 LEU A 44 -4.959 -1.638 -2.517 1.00 0.00 C ATOM 681 CD2 LEU A 44 -6.553 -2.820 -0.997 1.00 0.00 C ATOM 0 H LEU A 44 -6.124 -0.441 -4.886 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.813 -3.290 -5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.488 -1.085 -3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.192 -2.688 -2.989 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.783 -3.569 -2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.135 -2.004 -1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.628 -1.546 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.279 -0.663 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.702 -3.161 -0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.923 -1.879 -0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.344 -3.568 -0.957 1.00 0.00 H new ATOM 693 N PRO A 45 -9.248 -3.085 -5.742 1.00 0.00 N ATOM 694 CA PRO A 45 -10.585 -2.982 -6.314 1.00 0.00 C ATOM 695 C PRO A 45 -11.646 -2.680 -5.256 1.00 0.00 C ATOM 696 O PRO A 45 -12.303 -3.586 -4.736 1.00 0.00 O ATOM 697 CB PRO A 45 -10.801 -4.359 -6.934 1.00 0.00 C ATOM 698 CG PRO A 45 -9.999 -5.291 -6.087 1.00 0.00 C ATOM 699 CD PRO A 45 -8.862 -4.489 -5.501 1.00 0.00 C ATOM 0 HA PRO A 45 -10.671 -2.164 -7.029 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -11.856 -4.632 -6.932 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -10.468 -4.382 -7.972 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -10.615 -5.721 -5.297 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.619 -6.122 -6.682 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.739 -4.691 -4.437 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.915 -4.730 -5.983 1.00 0.00 H new ATOM 707 N TYR A 46 -11.768 -1.389 -4.932 1.00 0.00 N ATOM 708 CA TYR A 46 -12.717 -0.865 -3.943 1.00 0.00 C ATOM 709 C TYR A 46 -12.774 -1.700 -2.654 1.00 0.00 C ATOM 710 O TYR A 46 -13.799 -1.744 -1.977 1.00 0.00 O ATOM 711 CB TYR A 46 -14.120 -0.668 -4.559 1.00 0.00 C ATOM 712 CG TYR A 46 -14.860 -1.930 -4.975 1.00 0.00 C ATOM 713 CD1 TYR A 46 -15.660 -2.622 -4.073 1.00 0.00 C ATOM 714 CD2 TYR A 46 -14.778 -2.410 -6.276 1.00 0.00 C ATOM 715 CE1 TYR A 46 -16.351 -3.756 -4.454 1.00 0.00 C ATOM 716 CE2 TYR A 46 -15.463 -3.545 -6.664 1.00 0.00 C ATOM 717 CZ TYR A 46 -16.249 -4.213 -5.751 1.00 0.00 C ATOM 718 OH TYR A 46 -16.943 -5.342 -6.134 1.00 0.00 O ATOM 0 H TYR A 46 -11.196 -0.661 -5.360 1.00 0.00 H new ATOM 0 HA TYR A 46 -12.339 0.114 -3.647 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -14.737 -0.132 -3.838 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -14.022 -0.026 -5.434 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -15.743 -2.267 -3.056 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -14.168 -1.886 -6.997 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -16.968 -4.282 -3.740 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -15.383 -3.907 -7.678 1.00 0.00 H new ATOM 0 HH TYR A 46 -16.765 -5.531 -7.079 1.00 0.00 H new ATOM 728 N THR A 47 -11.655 -2.328 -2.299 1.00 0.00 N ATOM 729 CA THR A 47 -11.572 -3.114 -1.073 1.00 0.00 C ATOM 730 C THR A 47 -11.652 -2.205 0.152 1.00 0.00 C ATOM 731 O THR A 47 -11.477 -0.989 0.050 1.00 0.00 O ATOM 732 CB THR A 47 -10.261 -3.911 -1.020 1.00 0.00 C ATOM 733 OG1 THR A 47 -9.824 -4.215 -2.352 1.00 0.00 O ATOM 734 CG2 THR A 47 -10.433 -5.209 -0.242 1.00 0.00 C ATOM 0 H THR A 47 -10.793 -2.307 -2.844 1.00 0.00 H new ATOM 0 HA THR A 47 -12.413 -3.808 -1.068 1.00 0.00 H new ATOM 0 HB THR A 47 -9.517 -3.298 -0.512 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.195 -4.966 -2.326 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.487 -5.750 -0.223 1.00 0.00 H new ATOM 0 HG22 THR A 47 -10.743 -4.983 0.778 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.193 -5.824 -0.724 1.00 0.00 H new ATOM 742 N GLN A 48 -11.893 -2.799 1.310 1.00 0.00 N ATOM 743 CA GLN A 48 -12.067 -2.037 2.537 1.00 0.00 C ATOM 744 C GLN A 48 -10.739 -1.800 3.242 1.00 0.00 C ATOM 745 O GLN A 48 -9.960 -2.729 3.464 1.00 0.00 O ATOM 746 CB GLN A 48 -13.033 -2.745 3.488 1.00 0.00 C ATOM 747 CG GLN A 48 -14.464 -2.800 2.985 1.00 0.00 C ATOM 748 CD GLN A 48 -15.406 -3.370 4.023 1.00 0.00 C ATOM 749 OE1 GLN A 48 -15.655 -4.575 4.067 1.00 0.00 O ATOM 750 NE2 GLN A 48 -15.922 -2.505 4.880 1.00 0.00 N ATOM 0 H GLN A 48 -11.973 -3.809 1.426 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.486 -1.071 2.256 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -12.679 -3.762 3.658 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -13.017 -2.236 4.452 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -14.791 -1.797 2.710 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -14.508 -3.409 2.082 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -15.689 -1.515 4.808 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -16.553 -2.828 5.613 1.00 0.00 H new ATOM 759 N TYR A 49 -10.494 -0.546 3.583 1.00 0.00 N ATOM 760 CA TYR A 49 -9.320 -0.161 4.350 1.00 0.00 C ATOM 761 C TYR A 49 -9.553 1.183 5.018 1.00 0.00 C ATOM 762 O TYR A 49 -10.411 1.955 4.591 1.00 0.00 O ATOM 763 CB TYR A 49 -8.068 -0.104 3.466 1.00 0.00 C ATOM 764 CG TYR A 49 -8.273 0.582 2.128 1.00 0.00 C ATOM 765 CD1 TYR A 49 -8.383 1.966 2.031 1.00 0.00 C ATOM 766 CD2 TYR A 49 -8.346 -0.161 0.957 1.00 0.00 C ATOM 767 CE1 TYR A 49 -8.561 2.584 0.807 1.00 0.00 C ATOM 768 CE2 TYR A 49 -8.519 0.449 -0.269 1.00 0.00 C ATOM 769 CZ TYR A 49 -8.627 1.820 -0.340 1.00 0.00 C ATOM 770 OH TYR A 49 -8.792 2.432 -1.564 1.00 0.00 O ATOM 0 H TYR A 49 -11.103 0.234 3.336 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.154 -0.919 5.116 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.279 0.415 4.009 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.717 -1.121 3.289 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.328 2.567 2.927 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.266 -1.237 1.007 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.648 3.659 0.749 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.569 -0.146 -1.169 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.290 3.274 -1.579 1.00 0.00 H new ATOM 780 N ASP A 50 -8.798 1.455 6.065 1.00 0.00 N ATOM 781 CA ASP A 50 -8.954 2.699 6.808 1.00 0.00 C ATOM 782 C ASP A 50 -7.609 3.321 7.145 1.00 0.00 C ATOM 783 O ASP A 50 -7.417 4.530 6.999 1.00 0.00 O ATOM 784 CB ASP A 50 -9.740 2.447 8.099 1.00 0.00 C ATOM 785 CG ASP A 50 -9.766 3.656 9.015 1.00 0.00 C ATOM 786 OD1 ASP A 50 -8.840 3.801 9.844 1.00 0.00 O ATOM 787 OD2 ASP A 50 -10.714 4.463 8.921 1.00 0.00 O ATOM 0 H ASP A 50 -8.071 0.835 6.423 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.502 3.396 6.174 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.762 2.165 7.848 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.298 1.604 8.630 1.00 0.00 H new ATOM 792 N SER A 51 -6.671 2.492 7.569 1.00 0.00 N ATOM 793 CA SER A 51 -5.417 2.991 8.116 1.00 0.00 C ATOM 794 C SER A 51 -4.259 2.746 7.151 1.00 0.00 C ATOM 795 O SER A 51 -4.415 2.032 6.167 1.00 0.00 O ATOM 796 CB SER A 51 -5.152 2.323 9.461 1.00 0.00 C ATOM 797 OG SER A 51 -6.279 2.453 10.318 1.00 0.00 O ATOM 0 H SER A 51 -6.751 1.475 7.546 1.00 0.00 H new ATOM 0 HA SER A 51 -5.498 4.068 8.260 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.924 1.268 9.310 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.278 2.774 9.931 1.00 0.00 H new ATOM 0 HG SER A 51 -6.919 3.082 9.924 1.00 0.00 H new ATOM 803 N LEU A 52 -3.096 3.323 7.447 1.00 0.00 N ATOM 804 CA LEU A 52 -1.962 3.284 6.526 1.00 0.00 C ATOM 805 C LEU A 52 -1.380 1.876 6.407 1.00 0.00 C ATOM 806 O LEU A 52 -1.221 1.357 5.302 1.00 0.00 O ATOM 807 CB LEU A 52 -0.878 4.260 6.983 1.00 0.00 C ATOM 808 CG LEU A 52 0.276 4.448 5.999 1.00 0.00 C ATOM 809 CD1 LEU A 52 -0.220 5.087 4.710 1.00 0.00 C ATOM 810 CD2 LEU A 52 1.376 5.291 6.623 1.00 0.00 C ATOM 0 H LEU A 52 -2.914 3.823 8.317 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.325 3.580 5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.339 5.230 7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.473 3.911 7.933 1.00 0.00 H new ATOM 0 HG LEU A 52 0.688 3.467 5.760 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.616 5.213 4.021 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.974 4.446 4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.658 6.060 4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.190 5.415 5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.977 6.269 6.891 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.752 4.795 7.518 1.00 0.00 H new ATOM 822 N LEU A 53 -1.073 1.259 7.542 1.00 0.00 N ATOM 823 CA LEU A 53 -0.525 -0.084 7.563 1.00 0.00 C ATOM 824 C LEU A 53 -1.588 -1.079 7.134 1.00 0.00 C ATOM 825 O LEU A 53 -1.306 -2.042 6.425 1.00 0.00 O ATOM 826 CB LEU A 53 -0.013 -0.424 8.965 1.00 0.00 C ATOM 827 CG LEU A 53 1.441 -0.049 9.258 1.00 0.00 C ATOM 828 CD1 LEU A 53 2.380 -0.749 8.292 1.00 0.00 C ATOM 829 CD2 LEU A 53 1.637 1.456 9.204 1.00 0.00 C ATOM 0 H LEU A 53 -1.197 1.675 8.465 1.00 0.00 H new ATOM 0 HA LEU A 53 0.312 -0.138 6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.650 0.076 9.694 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.130 -1.496 9.123 1.00 0.00 H new ATOM 0 HG LEU A 53 1.678 -0.382 10.268 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.409 -0.469 8.517 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.267 -1.828 8.393 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.139 -0.453 7.271 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.679 1.695 9.416 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.376 1.822 8.211 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.997 1.933 9.946 1.00 0.00 H new ATOM 841 N ASP A 54 -2.809 -0.818 7.572 1.00 0.00 N ATOM 842 CA ASP A 54 -3.968 -1.624 7.201 1.00 0.00 C ATOM 843 C ASP A 54 -4.155 -1.631 5.685 1.00 0.00 C ATOM 844 O ASP A 54 -4.425 -2.672 5.087 1.00 0.00 O ATOM 845 CB ASP A 54 -5.214 -1.061 7.905 1.00 0.00 C ATOM 846 CG ASP A 54 -6.523 -1.606 7.363 1.00 0.00 C ATOM 847 OD1 ASP A 54 -6.767 -2.825 7.493 1.00 0.00 O ATOM 848 OD2 ASP A 54 -7.326 -0.807 6.834 1.00 0.00 O ATOM 0 H ASP A 54 -3.028 -0.041 8.196 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.812 -2.655 7.518 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.151 -1.286 8.970 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.215 0.025 7.808 1.00 0.00 H new ATOM 853 N LEU A 55 -3.977 -0.469 5.072 1.00 0.00 N ATOM 854 CA LEU A 55 -4.092 -0.332 3.628 1.00 0.00 C ATOM 855 C LEU A 55 -2.933 -1.052 2.944 1.00 0.00 C ATOM 856 O LEU A 55 -3.143 -1.876 2.057 1.00 0.00 O ATOM 857 CB LEU A 55 -4.095 1.152 3.244 1.00 0.00 C ATOM 858 CG LEU A 55 -4.974 1.538 2.048 1.00 0.00 C ATOM 859 CD1 LEU A 55 -5.018 3.049 1.895 1.00 0.00 C ATOM 860 CD2 LEU A 55 -4.475 0.893 0.764 1.00 0.00 C ATOM 0 H LEU A 55 -3.751 0.399 5.558 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.029 -0.782 3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.420 1.730 4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.070 1.452 3.027 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.982 1.170 2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.645 3.310 1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.432 3.494 2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.009 3.428 1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.119 1.186 -0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.455 1.221 0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.493 -0.192 0.871 1.00 0.00 H new ATOM 872 N ALA A 56 -1.712 -0.754 3.385 1.00 0.00 N ATOM 873 CA ALA A 56 -0.503 -1.321 2.787 1.00 0.00 C ATOM 874 C ALA A 56 -0.513 -2.851 2.819 1.00 0.00 C ATOM 875 O ALA A 56 -0.153 -3.504 1.838 1.00 0.00 O ATOM 876 CB ALA A 56 0.731 -0.789 3.502 1.00 0.00 C ATOM 0 H ALA A 56 -1.533 -0.117 4.161 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.477 -1.015 1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.626 -1.217 3.050 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.763 0.297 3.413 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.689 -1.066 4.555 1.00 0.00 H new ATOM 882 N ARG A 57 -0.927 -3.419 3.945 1.00 0.00 N ATOM 883 CA ARG A 57 -0.983 -4.872 4.094 1.00 0.00 C ATOM 884 C ARG A 57 -2.082 -5.465 3.216 1.00 0.00 C ATOM 885 O ARG A 57 -1.964 -6.589 2.725 1.00 0.00 O ATOM 886 CB ARG A 57 -1.198 -5.247 5.568 1.00 0.00 C ATOM 887 CG ARG A 57 -0.020 -4.869 6.460 1.00 0.00 C ATOM 888 CD ARG A 57 -0.317 -5.108 7.933 1.00 0.00 C ATOM 889 NE ARG A 57 0.836 -4.788 8.780 1.00 0.00 N ATOM 890 CZ ARG A 57 1.019 -5.271 10.012 1.00 0.00 C ATOM 891 NH1 ARG A 57 0.152 -6.133 10.530 1.00 0.00 N ATOM 892 NH2 ARG A 57 2.083 -4.898 10.719 1.00 0.00 N ATOM 0 H ARG A 57 -1.229 -2.898 4.769 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.031 -5.291 3.767 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.097 -4.752 5.935 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.372 -6.320 5.642 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.856 -5.449 6.169 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.228 -3.819 6.306 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.170 -4.500 8.235 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.600 -6.150 8.082 1.00 0.00 H new ATOM 0 HE ARG A 57 1.544 -4.156 8.405 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.659 -6.430 9.987 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.297 -6.499 11.471 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.757 -4.244 10.320 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.225 -5.266 11.660 1.00 0.00 H new ATOM 906 N ALA A 58 -3.142 -4.696 3.008 1.00 0.00 N ATOM 907 CA ALA A 58 -4.226 -5.112 2.130 1.00 0.00 C ATOM 908 C ALA A 58 -3.769 -5.104 0.678 1.00 0.00 C ATOM 909 O ALA A 58 -4.190 -5.944 -0.116 1.00 0.00 O ATOM 910 CB ALA A 58 -5.441 -4.218 2.318 1.00 0.00 C ATOM 0 H ALA A 58 -3.274 -3.780 3.436 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.511 -6.131 2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.240 -4.545 1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.781 -4.279 3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.174 -3.187 2.084 1.00 0.00 H new ATOM 916 N ILE A 59 -2.888 -4.161 0.341 1.00 0.00 N ATOM 917 CA ILE A 59 -2.359 -4.055 -1.012 1.00 0.00 C ATOM 918 C ILE A 59 -1.598 -5.320 -1.383 1.00 0.00 C ATOM 919 O ILE A 59 -1.873 -5.943 -2.407 1.00 0.00 O ATOM 920 CB ILE A 59 -1.402 -2.850 -1.157 1.00 0.00 C ATOM 921 CG1 ILE A 59 -2.090 -1.550 -0.739 1.00 0.00 C ATOM 922 CG2 ILE A 59 -0.895 -2.745 -2.590 1.00 0.00 C ATOM 923 CD1 ILE A 59 -1.181 -0.343 -0.776 1.00 0.00 C ATOM 0 H ILE A 59 -2.528 -3.461 0.990 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.210 -3.915 -1.678 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.551 -3.011 -0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.942 -1.373 -1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.484 -1.666 0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.222 -1.892 -2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.360 -3.657 -2.854 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.740 -2.611 -3.266 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.738 0.542 -0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.342 -0.499 -0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.807 -0.200 -1.790 1.00 0.00 H new ATOM 935 N ILE A 60 -0.681 -5.726 -0.517 1.00 0.00 N ATOM 936 CA ILE A 60 0.151 -6.890 -0.785 1.00 0.00 C ATOM 937 C ILE A 60 -0.691 -8.163 -0.829 1.00 0.00 C ATOM 938 O ILE A 60 -0.482 -9.031 -1.676 1.00 0.00 O ATOM 939 CB ILE A 60 1.267 -7.040 0.272 1.00 0.00 C ATOM 940 CG1 ILE A 60 2.168 -5.804 0.258 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.080 -8.301 0.009 1.00 0.00 C ATOM 942 CD1 ILE A 60 3.267 -5.841 1.296 1.00 0.00 C ATOM 0 H ILE A 60 -0.494 -5.268 0.375 1.00 0.00 H new ATOM 0 HA ILE A 60 0.616 -6.738 -1.759 1.00 0.00 H new ATOM 0 HB ILE A 60 0.811 -7.128 1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.617 -5.704 -0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.556 -4.917 0.421 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.863 -8.393 0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.426 -9.172 0.057 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.534 -8.242 -0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.865 -4.932 1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.826 -5.909 2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.904 -6.708 1.121 1.00 0.00 H new ATOM 954 N ARG A 61 -1.658 -8.256 0.072 1.00 0.00 N ATOM 955 CA ARG A 61 -2.476 -9.454 0.193 1.00 0.00 C ATOM 956 C ARG A 61 -3.496 -9.553 -0.945 1.00 0.00 C ATOM 957 O ARG A 61 -4.066 -10.618 -1.186 1.00 0.00 O ATOM 958 CB ARG A 61 -3.182 -9.463 1.553 1.00 0.00 C ATOM 959 CG ARG A 61 -3.766 -10.810 1.946 1.00 0.00 C ATOM 960 CD ARG A 61 -4.155 -10.830 3.415 1.00 0.00 C ATOM 961 NE ARG A 61 -4.701 -12.124 3.828 1.00 0.00 N ATOM 962 CZ ARG A 61 -4.048 -12.999 4.592 1.00 0.00 C ATOM 963 NH1 ARG A 61 -2.790 -12.764 4.956 1.00 0.00 N ATOM 964 NH2 ARG A 61 -4.643 -14.120 4.976 1.00 0.00 N ATOM 0 H ARG A 61 -1.896 -7.515 0.731 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.823 -10.324 0.122 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.473 -9.150 2.319 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.983 -8.723 1.538 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.641 -11.024 1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.038 -11.597 1.749 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.281 -10.596 4.023 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.893 -10.050 3.604 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.639 -12.371 3.512 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.321 -11.911 4.650 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.294 -13.437 5.541 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.602 -14.313 4.687 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.142 -14.789 5.561 1.00 0.00 H new ATOM 978 N ASP A 62 -3.734 -8.446 -1.643 1.00 0.00 N ATOM 979 CA ASP A 62 -4.707 -8.449 -2.732 1.00 0.00 C ATOM 980 C ASP A 62 -4.029 -8.417 -4.101 1.00 0.00 C ATOM 981 O ASP A 62 -4.595 -8.865 -5.101 1.00 0.00 O ATOM 982 CB ASP A 62 -5.681 -7.277 -2.590 1.00 0.00 C ATOM 983 CG ASP A 62 -6.983 -7.528 -3.322 1.00 0.00 C ATOM 984 OD1 ASP A 62 -7.840 -8.264 -2.786 1.00 0.00 O ATOM 985 OD2 ASP A 62 -7.162 -6.996 -4.435 1.00 0.00 O ATOM 0 H ASP A 62 -3.276 -7.550 -1.479 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.267 -9.382 -2.664 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.887 -7.103 -1.534 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.216 -6.371 -2.978 1.00 0.00 H new ATOM 990 N THR A 63 -2.815 -7.894 -4.143 1.00 0.00 N ATOM 991 CA THR A 63 -2.033 -7.864 -5.377 1.00 0.00 C ATOM 992 C THR A 63 -0.674 -8.534 -5.173 1.00 0.00 C ATOM 993 O THR A 63 0.198 -8.010 -4.483 1.00 0.00 O ATOM 994 CB THR A 63 -1.840 -6.424 -5.927 1.00 0.00 C ATOM 995 OG1 THR A 63 -1.327 -5.551 -4.917 1.00 0.00 O ATOM 996 CG2 THR A 63 -3.152 -5.865 -6.456 1.00 0.00 C ATOM 0 H THR A 63 -2.345 -7.482 -3.337 1.00 0.00 H new ATOM 0 HA THR A 63 -2.603 -8.422 -6.120 1.00 0.00 H new ATOM 0 HB THR A 63 -1.120 -6.482 -6.743 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.857 -5.651 -4.099 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.991 -4.856 -6.835 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.520 -6.501 -7.261 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.886 -5.837 -5.651 1.00 0.00 H new ATOM 1004 N VAL A 64 -0.503 -9.696 -5.796 1.00 0.00 N ATOM 1005 CA VAL A 64 0.668 -10.542 -5.572 1.00 0.00 C ATOM 1006 C VAL A 64 1.939 -9.943 -6.185 1.00 0.00 C ATOM 1007 O VAL A 64 3.051 -10.295 -5.798 1.00 0.00 O ATOM 1008 CB VAL A 64 0.439 -11.956 -6.150 1.00 0.00 C ATOM 1009 CG1 VAL A 64 1.545 -12.912 -5.722 1.00 0.00 C ATOM 1010 CG2 VAL A 64 -0.923 -12.492 -5.734 1.00 0.00 C ATOM 0 H VAL A 64 -1.168 -10.078 -6.468 1.00 0.00 H new ATOM 0 HA VAL A 64 0.808 -10.605 -4.493 1.00 0.00 H new ATOM 0 HB VAL A 64 0.463 -11.881 -7.237 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.356 -13.899 -6.144 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.505 -12.541 -6.081 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.566 -12.981 -4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.065 -13.489 -6.151 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.977 -12.543 -4.647 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.704 -11.829 -6.106 1.00 0.00 H new ATOM 1020 N GLU A 65 1.769 -9.013 -7.118 1.00 0.00 N ATOM 1021 CA GLU A 65 2.908 -8.413 -7.817 1.00 0.00 C ATOM 1022 C GLU A 65 3.768 -7.554 -6.892 1.00 0.00 C ATOM 1023 O GLU A 65 4.810 -7.043 -7.304 1.00 0.00 O ATOM 1024 CB GLU A 65 2.428 -7.578 -9.002 1.00 0.00 C ATOM 1025 CG GLU A 65 1.869 -8.410 -10.140 1.00 0.00 C ATOM 1026 CD GLU A 65 1.348 -7.559 -11.278 1.00 0.00 C ATOM 1027 OE1 GLU A 65 2.164 -7.078 -12.095 1.00 0.00 O ATOM 1028 OE2 GLU A 65 0.121 -7.365 -11.363 1.00 0.00 O ATOM 0 H GLU A 65 0.859 -8.657 -7.410 1.00 0.00 H new ATOM 0 HA GLU A 65 3.528 -9.234 -8.177 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.661 -6.883 -8.660 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.259 -6.979 -9.374 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.646 -9.076 -10.515 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.063 -9.040 -9.763 1.00 0.00 H new ATOM 1035 N PHE A 66 3.334 -7.394 -5.647 1.00 0.00 N ATOM 1036 CA PHE A 66 4.100 -6.635 -4.668 1.00 0.00 C ATOM 1037 C PHE A 66 4.875 -7.557 -3.728 1.00 0.00 C ATOM 1038 O PHE A 66 5.479 -7.102 -2.756 1.00 0.00 O ATOM 1039 CB PHE A 66 3.190 -5.694 -3.878 1.00 0.00 C ATOM 1040 CG PHE A 66 2.786 -4.479 -4.659 1.00 0.00 C ATOM 1041 CD1 PHE A 66 3.597 -3.358 -4.671 1.00 0.00 C ATOM 1042 CD2 PHE A 66 1.611 -4.461 -5.390 1.00 0.00 C ATOM 1043 CE1 PHE A 66 3.245 -2.240 -5.399 1.00 0.00 C ATOM 1044 CE2 PHE A 66 1.249 -3.342 -6.118 1.00 0.00 C ATOM 1045 CZ PHE A 66 2.069 -2.229 -6.123 1.00 0.00 C ATOM 0 H PHE A 66 2.458 -7.779 -5.293 1.00 0.00 H new ATOM 0 HA PHE A 66 4.827 -6.032 -5.212 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.296 -6.236 -3.570 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.702 -5.381 -2.968 1.00 0.00 H new ATOM 0 HD1 PHE A 66 4.516 -3.358 -4.104 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.970 -5.330 -5.392 1.00 0.00 H new ATOM 0 HE1 PHE A 66 3.889 -1.373 -5.403 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.328 -3.338 -6.681 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.791 -1.354 -6.691 1.00 0.00 H new ATOM 1055 N SER A 67 4.863 -8.853 -4.022 1.00 0.00 N ATOM 1056 CA SER A 67 5.697 -9.796 -3.296 1.00 0.00 C ATOM 1057 C SER A 67 7.081 -9.812 -3.938 1.00 0.00 C ATOM 1058 O SER A 67 7.205 -9.769 -5.163 1.00 0.00 O ATOM 1059 CB SER A 67 5.072 -11.196 -3.302 1.00 0.00 C ATOM 1060 OG SER A 67 5.741 -12.063 -2.399 1.00 0.00 O ATOM 0 H SER A 67 4.288 -9.270 -4.754 1.00 0.00 H new ATOM 0 HA SER A 67 5.781 -9.486 -2.254 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.019 -11.127 -3.031 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.116 -11.612 -4.309 1.00 0.00 H new ATOM 0 HG SER A 67 5.183 -12.203 -1.605 1.00 0.00 H new