USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 990 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 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 140:sc= 0.437 USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 24 LYS NZ :NH3+ 152:sc= 1.74 (180deg=-0.896) USER MOD Single : A 27 LYS NZ :NH3+ -140:sc= -0.704 (180deg=-2.76!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 167:sc= -1.46 (180deg=-1.53) USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= 1.34 (180deg=1.1) USER MOD Single : A 36 MET CE :methyl -162:sc= -0.0821 (180deg=-0.528) USER MOD Single : A 38 ASN : amide:sc= -0.0135 X(o=-0.013,f=-0.013) USER MOD Single : A 40 THR OG1 : rot 180:sc=0.000973 USER MOD Single : A 42 ASN : amide:sc= -0.527 X(o=-0.53,f=-0.091) USER MOD Single : A 46 LYS NZ :NH3+ -166:sc= -0.0373 (180deg=-0.247) USER MOD Single : A 51 TYR OH : rot 112:sc= -0.0379 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -1.29 K(o=-1.3,f=-3.4!) USER MOD Single : A 60 ASN : amide:sc= -1.66! C(o=-1.7!,f=-11!) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0265 USER MOD Single : A 69 ASN : amide:sc= -2.15! C(o=-2.2!,f=-9.6!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 145:sc= -0.82! (180deg=-4!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 ASN : amide:sc=-0.00559 K(o=-0.0056,f=-0.82) USER MOD Single : A 84 LYS NZ :NH3+ 140:sc= -0.414 (180deg=-2.13!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 150:sc= -1.7! USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -1.5! X(o=-1.5!,f=-1.2) USER MOD Single : A 107 GLN : amide:sc=-0.00331 X(o=-0.0033,f=-0.0033) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= -0.0235 (180deg=-0.0235) USER MOD Single : A 112 GLN :FLIP amide:sc= -0.156 F(o=-3!,f=-0.16) USER MOD Single : A 114 LYS NZ :NH3+ -179:sc= -2.49! (180deg=-2.63!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 120 ASN : amide:sc= -0.129 K(o=-0.13,f=-6.2!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 MET CE :methyl 159:sc= 0 (180deg=-0.38) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 128 THR OG1 : rot -40:sc= 1.29 USER MOD Single : A 131 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 133 GLN : amide:sc= 1.18 K(o=1.2,f=-0.18) USER MOD Single : A 140 SER OG : rot 5:sc= 0.795 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 -16.603 0.060 -4.441 1.00 0.00 N ATOM 2 CA GLY A 15 -17.959 -0.397 -4.059 1.00 0.00 C ATOM 3 C GLY A 15 -18.205 -0.254 -2.572 1.00 0.00 C ATOM 4 O GLY A 15 -17.434 0.405 -1.874 1.00 0.00 O ATOM 0 HA2 GLY A 15 -18.704 0.179 -4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -18.086 -1.440 -4.349 1.00 0.00 H new ATOM 10 N SER A 16 -19.276 -0.870 -2.090 1.00 0.00 N ATOM 11 CA SER A 16 -19.643 -0.796 -0.684 1.00 0.00 C ATOM 12 C SER A 16 -18.747 -1.702 0.155 1.00 0.00 C ATOM 13 O SER A 16 -19.112 -2.830 0.490 1.00 0.00 O ATOM 14 CB SER A 16 -21.110 -1.187 -0.512 1.00 0.00 C ATOM 15 OG SER A 16 -21.934 -0.453 -1.403 1.00 0.00 O ATOM 0 H SER A 16 -19.910 -1.431 -2.659 1.00 0.00 H new ATOM 0 HA SER A 16 -19.506 0.229 -0.338 1.00 0.00 H new ATOM 0 HB2 SER A 16 -21.230 -2.255 -0.694 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.422 -1.002 0.516 1.00 0.00 H new ATOM 0 HG SER A 16 -22.869 -0.719 -1.278 1.00 0.00 H new ATOM 21 N SER A 17 -17.567 -1.203 0.473 1.00 0.00 N ATOM 22 CA SER A 17 -16.597 -1.953 1.244 1.00 0.00 C ATOM 23 C SER A 17 -16.665 -1.571 2.717 1.00 0.00 C ATOM 24 O SER A 17 -16.822 -0.399 3.059 1.00 0.00 O ATOM 25 CB SER A 17 -15.199 -1.683 0.693 1.00 0.00 C ATOM 26 OG SER A 17 -15.099 -2.100 -0.658 1.00 0.00 O ATOM 0 H SER A 17 -17.256 -0.269 0.205 1.00 0.00 H new ATOM 0 HA SER A 17 -16.823 -3.016 1.161 1.00 0.00 H new ATOM 0 HB2 SER A 17 -14.974 -0.619 0.767 1.00 0.00 H new ATOM 0 HB3 SER A 17 -14.458 -2.208 1.296 1.00 0.00 H new ATOM 0 HG SER A 17 -14.577 -1.443 -1.165 1.00 0.00 H new ATOM 32 N GLY A 18 -16.563 -2.576 3.581 1.00 0.00 N ATOM 33 CA GLY A 18 -16.540 -2.338 5.009 1.00 0.00 C ATOM 34 C GLY A 18 -15.339 -1.523 5.444 1.00 0.00 C ATOM 35 O GLY A 18 -14.340 -1.443 4.723 1.00 0.00 O ATOM 0 H GLY A 18 -16.495 -3.558 3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -17.452 -1.819 5.302 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -16.535 -3.294 5.533 1.00 0.00 H new ATOM 39 N ASN A 19 -15.444 -0.932 6.628 1.00 0.00 N ATOM 40 CA ASN A 19 -14.414 -0.046 7.164 1.00 0.00 C ATOM 41 C ASN A 19 -13.048 -0.712 7.193 1.00 0.00 C ATOM 42 O ASN A 19 -12.891 -1.864 7.602 1.00 0.00 O ATOM 43 CB ASN A 19 -14.789 0.426 8.570 1.00 0.00 C ATOM 44 CG ASN A 19 -16.042 1.281 8.585 1.00 0.00 C ATOM 45 OD1 ASN A 19 -16.352 1.969 7.613 1.00 0.00 O ATOM 46 ND2 ASN A 19 -16.768 1.246 9.689 1.00 0.00 N ATOM 0 H ASN A 19 -16.247 -1.053 7.246 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.354 0.814 6.497 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.938 -0.442 9.212 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.960 0.995 8.991 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -17.620 1.803 9.757 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -16.476 0.662 10.473 1.00 0.00 H new ATOM 53 N PRO A 20 -12.046 0.055 6.759 1.00 0.00 N ATOM 54 CA PRO A 20 -10.654 -0.390 6.643 1.00 0.00 C ATOM 55 C PRO A 20 -10.034 -0.753 7.988 1.00 0.00 C ATOM 56 O PRO A 20 -8.988 -1.397 8.051 1.00 0.00 O ATOM 57 CB PRO A 20 -9.939 0.824 6.038 1.00 0.00 C ATOM 58 CG PRO A 20 -10.835 1.987 6.299 1.00 0.00 C ATOM 59 CD PRO A 20 -12.222 1.449 6.339 1.00 0.00 C ATOM 0 HA PRO A 20 -10.573 -1.297 6.044 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.961 0.972 6.496 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.773 0.689 4.969 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.579 2.471 7.242 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.733 2.739 5.517 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -12.845 2.002 7.041 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.705 1.515 5.364 1.00 0.00 H new ATOM 67 N GLU A 21 -10.702 -0.349 9.057 1.00 0.00 N ATOM 68 CA GLU A 21 -10.219 -0.585 10.410 1.00 0.00 C ATOM 69 C GLU A 21 -10.433 -2.040 10.802 1.00 0.00 C ATOM 70 O GLU A 21 -9.798 -2.558 11.724 1.00 0.00 O ATOM 71 CB GLU A 21 -10.963 0.314 11.387 1.00 0.00 C ATOM 72 CG GLU A 21 -11.245 1.691 10.825 1.00 0.00 C ATOM 73 CD GLU A 21 -10.003 2.542 10.673 1.00 0.00 C ATOM 74 OE1 GLU A 21 -9.582 3.162 11.672 1.00 0.00 O ATOM 75 OE2 GLU A 21 -9.458 2.617 9.551 1.00 0.00 O ATOM 0 H GLU A 21 -11.591 0.150 9.013 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.153 -0.360 10.443 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.905 -0.160 11.663 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.376 0.413 12.300 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.727 1.587 9.853 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.951 2.204 11.478 1.00 0.00 H new ATOM 82 N ASP A 22 -11.347 -2.691 10.094 1.00 0.00 N ATOM 83 CA ASP A 22 -11.722 -4.070 10.396 1.00 0.00 C ATOM 84 C ASP A 22 -10.820 -5.061 9.661 1.00 0.00 C ATOM 85 O ASP A 22 -10.832 -6.261 9.944 1.00 0.00 O ATOM 86 CB ASP A 22 -13.189 -4.306 10.023 1.00 0.00 C ATOM 87 CG ASP A 22 -13.755 -5.575 10.631 1.00 0.00 C ATOM 88 OD1 ASP A 22 -13.892 -5.630 11.875 1.00 0.00 O ATOM 89 OD2 ASP A 22 -14.098 -6.507 9.878 1.00 0.00 O ATOM 0 H ASP A 22 -11.846 -2.285 9.302 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.595 -4.233 11.466 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.784 -3.454 10.353 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.279 -4.357 8.938 1.00 0.00 H new ATOM 94 N PHE A 23 -10.027 -4.548 8.726 1.00 0.00 N ATOM 95 CA PHE A 23 -9.090 -5.366 7.966 1.00 0.00 C ATOM 96 C PHE A 23 -7.959 -5.858 8.859 1.00 0.00 C ATOM 97 O PHE A 23 -7.675 -5.270 9.903 1.00 0.00 O ATOM 98 CB PHE A 23 -8.492 -4.559 6.807 1.00 0.00 C ATOM 99 CG PHE A 23 -9.414 -4.354 5.635 1.00 0.00 C ATOM 100 CD1 PHE A 23 -10.562 -3.590 5.755 1.00 0.00 C ATOM 101 CD2 PHE A 23 -9.116 -4.922 4.406 1.00 0.00 C ATOM 102 CE1 PHE A 23 -11.398 -3.396 4.672 1.00 0.00 C ATOM 103 CE2 PHE A 23 -9.947 -4.729 3.319 1.00 0.00 C ATOM 104 CZ PHE A 23 -11.089 -3.966 3.453 1.00 0.00 C ATOM 0 H PHE A 23 -10.016 -3.559 8.475 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.638 -6.222 7.572 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.184 -3.583 7.184 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.592 -5.064 6.458 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.807 -3.140 6.706 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -8.225 -5.522 4.297 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -12.292 -2.799 4.779 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -9.703 -5.175 2.366 1.00 0.00 H new ATOM 0 HZ PHE A 23 -11.741 -3.815 2.605 1.00 0.00 H new ATOM 114 N LYS A 24 -7.308 -6.928 8.434 1.00 0.00 N ATOM 115 CA LYS A 24 -6.131 -7.439 9.125 1.00 0.00 C ATOM 116 C LYS A 24 -4.943 -6.568 8.786 1.00 0.00 C ATOM 117 O LYS A 24 -3.992 -6.450 9.558 1.00 0.00 O ATOM 118 CB LYS A 24 -5.820 -8.873 8.706 1.00 0.00 C ATOM 119 CG LYS A 24 -6.894 -9.870 9.073 1.00 0.00 C ATOM 120 CD LYS A 24 -6.627 -11.224 8.446 1.00 0.00 C ATOM 121 CE LYS A 24 -7.842 -12.122 8.548 1.00 0.00 C ATOM 122 NZ LYS A 24 -9.056 -11.458 8.006 1.00 0.00 N ATOM 0 H LYS A 24 -7.575 -7.464 7.608 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.332 -7.425 10.196 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.668 -8.900 7.627 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.882 -9.180 9.168 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.943 -9.972 10.157 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.865 -9.500 8.744 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.353 -11.095 7.399 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.779 -11.697 8.942 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.658 -13.048 8.003 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.009 -12.393 9.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.716 -12.178 7.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.517 -10.909 8.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.786 -10.821 7.229 1.00 0.00 H new ATOM 136 N VAL A 25 -5.012 -5.955 7.616 1.00 0.00 N ATOM 137 CA VAL A 25 -3.944 -5.104 7.143 1.00 0.00 C ATOM 138 C VAL A 25 -3.914 -3.801 7.934 1.00 0.00 C ATOM 139 O VAL A 25 -2.943 -3.064 7.885 1.00 0.00 O ATOM 140 CB VAL A 25 -4.083 -4.807 5.628 1.00 0.00 C ATOM 141 CG1 VAL A 25 -4.826 -5.923 4.917 1.00 0.00 C ATOM 142 CG2 VAL A 25 -4.756 -3.470 5.369 1.00 0.00 C ATOM 0 H VAL A 25 -5.803 -6.034 6.977 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.004 -5.635 7.295 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.073 -4.751 5.223 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.908 -5.687 3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.281 -6.859 5.039 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.824 -6.026 5.344 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.832 -3.303 4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.754 -3.474 5.807 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.165 -2.672 5.819 1.00 0.00 H new ATOM 152 N PHE A 26 -4.978 -3.538 8.679 1.00 0.00 N ATOM 153 CA PHE A 26 -5.069 -2.325 9.477 1.00 0.00 C ATOM 154 C PHE A 26 -3.894 -2.226 10.447 1.00 0.00 C ATOM 155 O PHE A 26 -3.128 -1.270 10.405 1.00 0.00 O ATOM 156 CB PHE A 26 -6.399 -2.292 10.235 1.00 0.00 C ATOM 157 CG PHE A 26 -6.549 -1.105 11.144 1.00 0.00 C ATOM 158 CD1 PHE A 26 -6.553 0.179 10.630 1.00 0.00 C ATOM 159 CD2 PHE A 26 -6.690 -1.278 12.512 1.00 0.00 C ATOM 160 CE1 PHE A 26 -6.694 1.271 11.463 1.00 0.00 C ATOM 161 CE2 PHE A 26 -6.830 -0.189 13.348 1.00 0.00 C ATOM 162 CZ PHE A 26 -6.833 1.087 12.823 1.00 0.00 C ATOM 0 H PHE A 26 -5.791 -4.150 8.747 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.027 -1.466 8.808 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.217 -2.292 9.515 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.493 -3.204 10.825 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.445 0.329 9.566 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.690 -2.275 12.928 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.695 2.269 11.050 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.937 -0.335 14.413 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.944 1.940 13.476 1.00 0.00 H new ATOM 172 N LYS A 27 -3.739 -3.233 11.293 1.00 0.00 N ATOM 173 CA LYS A 27 -2.674 -3.240 12.291 1.00 0.00 C ATOM 174 C LYS A 27 -1.316 -3.466 11.630 1.00 0.00 C ATOM 175 O LYS A 27 -0.300 -2.962 12.101 1.00 0.00 O ATOM 176 CB LYS A 27 -2.962 -4.315 13.334 1.00 0.00 C ATOM 177 CG LYS A 27 -2.737 -3.863 14.772 1.00 0.00 C ATOM 178 CD LYS A 27 -1.265 -3.787 15.134 1.00 0.00 C ATOM 179 CE LYS A 27 -0.553 -5.081 14.798 1.00 0.00 C ATOM 180 NZ LYS A 27 0.756 -5.201 15.492 1.00 0.00 N ATOM 0 H LYS A 27 -4.337 -4.059 11.310 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.641 -2.270 12.786 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.996 -4.644 13.225 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.330 -5.180 13.133 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.195 -2.884 14.918 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.239 -4.554 15.449 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.798 -2.961 14.597 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.159 -3.576 16.198 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.187 -5.924 15.074 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.397 -5.138 13.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.456 -5.615 14.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.077 -4.259 15.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.652 -5.814 16.326 1.00 0.00 H new ATOM 194 N TYR A 28 -1.304 -4.201 10.525 1.00 0.00 N ATOM 195 CA TYR A 28 -0.063 -4.467 9.808 1.00 0.00 C ATOM 196 C TYR A 28 0.460 -3.217 9.109 1.00 0.00 C ATOM 197 O TYR A 28 1.615 -2.850 9.281 1.00 0.00 O ATOM 198 CB TYR A 28 -0.250 -5.594 8.798 1.00 0.00 C ATOM 199 CG TYR A 28 -0.066 -6.971 9.386 1.00 0.00 C ATOM 200 CD1 TYR A 28 1.200 -7.532 9.491 1.00 0.00 C ATOM 201 CD2 TYR A 28 -1.149 -7.713 9.831 1.00 0.00 C ATOM 202 CE1 TYR A 28 1.383 -8.790 10.023 1.00 0.00 C ATOM 203 CE2 TYR A 28 -0.977 -8.974 10.367 1.00 0.00 C ATOM 204 CZ TYR A 28 0.293 -9.510 10.460 1.00 0.00 C ATOM 205 OH TYR A 28 0.471 -10.768 10.992 1.00 0.00 O ATOM 0 H TYR A 28 -2.134 -4.621 10.108 1.00 0.00 H new ATOM 0 HA TYR A 28 0.677 -4.776 10.546 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.249 -5.523 8.368 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.459 -5.459 7.981 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.058 -6.972 9.149 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.143 -7.298 9.757 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.376 -9.209 10.097 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.831 -9.538 10.712 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.398 -11.139 11.252 1.00 0.00 H new ATOM 215 N MET A 29 -0.385 -2.567 8.323 1.00 0.00 N ATOM 216 CA MET A 29 -0.010 -1.328 7.654 1.00 0.00 C ATOM 217 C MET A 29 0.328 -0.240 8.669 1.00 0.00 C ATOM 218 O MET A 29 1.176 0.614 8.416 1.00 0.00 O ATOM 219 CB MET A 29 -1.134 -0.860 6.723 1.00 0.00 C ATOM 220 CG MET A 29 -1.142 -1.547 5.362 1.00 0.00 C ATOM 221 SD MET A 29 -1.091 -3.345 5.456 1.00 0.00 S ATOM 222 CE MET A 29 -1.136 -3.762 3.716 1.00 0.00 C ATOM 0 H MET A 29 -1.338 -2.877 8.132 1.00 0.00 H new ATOM 0 HA MET A 29 0.880 -1.523 7.056 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.092 -1.035 7.212 1.00 0.00 H new ATOM 0 HB3 MET A 29 -1.044 0.216 6.574 1.00 0.00 H new ATOM 0 HG2 MET A 29 -2.038 -1.246 4.819 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.286 -1.198 4.784 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.881 -4.814 3.587 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.137 -3.581 3.324 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.418 -3.146 3.175 1.00 0.00 H new ATOM 232 N LYS A 30 -0.323 -0.286 9.827 1.00 0.00 N ATOM 233 CA LYS A 30 -0.055 0.678 10.886 1.00 0.00 C ATOM 234 C LYS A 30 1.326 0.469 11.497 1.00 0.00 C ATOM 235 O LYS A 30 1.980 1.428 11.908 1.00 0.00 O ATOM 236 CB LYS A 30 -1.132 0.614 11.976 1.00 0.00 C ATOM 237 CG LYS A 30 -2.405 1.383 11.635 1.00 0.00 C ATOM 238 CD LYS A 30 -2.124 2.830 11.260 1.00 0.00 C ATOM 239 CE LYS A 30 -1.490 3.587 12.407 1.00 0.00 C ATOM 240 NZ LYS A 30 -1.193 4.999 12.046 1.00 0.00 N ATOM 0 H LYS A 30 -1.037 -0.978 10.055 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.078 1.669 10.433 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.388 -0.430 12.159 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.719 1.008 12.904 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.915 0.888 10.808 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.082 1.356 12.489 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.464 2.861 10.393 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.054 3.319 10.970 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.158 3.566 13.268 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.568 3.088 12.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.203 5.586 12.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.255 5.053 11.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.913 5.346 11.381 1.00 0.00 H new ATOM 254 N ILE A 31 1.780 -0.775 11.565 1.00 0.00 N ATOM 255 CA ILE A 31 3.117 -1.042 12.074 1.00 0.00 C ATOM 256 C ILE A 31 4.132 -0.972 10.945 1.00 0.00 C ATOM 257 O ILE A 31 5.303 -0.722 11.181 1.00 0.00 O ATOM 258 CB ILE A 31 3.226 -2.401 12.791 1.00 0.00 C ATOM 259 CG1 ILE A 31 3.069 -3.556 11.801 1.00 0.00 C ATOM 260 CG2 ILE A 31 2.189 -2.485 13.898 1.00 0.00 C ATOM 261 CD1 ILE A 31 3.025 -4.920 12.453 1.00 0.00 C ATOM 0 H ILE A 31 1.253 -1.601 11.280 1.00 0.00 H new ATOM 0 HA ILE A 31 3.330 -0.271 12.815 1.00 0.00 H new ATOM 0 HB ILE A 31 4.218 -2.484 13.236 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.154 -3.408 11.228 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.897 -3.529 11.092 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.271 -3.448 14.401 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.359 -1.684 14.617 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.191 -2.383 13.471 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.912 -5.686 11.686 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.951 -5.090 13.003 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.180 -4.968 13.140 1.00 0.00 H new ATOM 273 N LEU A 32 3.668 -1.194 9.719 1.00 0.00 N ATOM 274 CA LEU A 32 4.482 -0.982 8.528 1.00 0.00 C ATOM 275 C LEU A 32 4.939 0.468 8.521 1.00 0.00 C ATOM 276 O LEU A 32 6.119 0.764 8.321 1.00 0.00 O ATOM 277 CB LEU A 32 3.648 -1.307 7.275 1.00 0.00 C ATOM 278 CG LEU A 32 4.410 -1.435 5.946 1.00 0.00 C ATOM 279 CD1 LEU A 32 3.523 -2.091 4.903 1.00 0.00 C ATOM 280 CD2 LEU A 32 4.878 -0.078 5.440 1.00 0.00 C ATOM 0 H LEU A 32 2.723 -1.524 9.524 1.00 0.00 H new ATOM 0 HA LEU A 32 5.355 -1.634 8.530 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.118 -2.243 7.454 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.893 -0.530 7.159 1.00 0.00 H new ATOM 0 HG LEU A 32 5.290 -2.053 6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.069 -2.179 3.964 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.230 -3.083 5.246 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.632 -1.483 4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.413 -0.205 4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.015 0.569 5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.542 0.376 6.176 1.00 0.00 H new ATOM 292 N GLU A 33 3.974 1.348 8.767 1.00 0.00 N ATOM 293 CA GLU A 33 4.201 2.776 8.894 1.00 0.00 C ATOM 294 C GLU A 33 5.397 3.073 9.786 1.00 0.00 C ATOM 295 O GLU A 33 6.297 3.828 9.419 1.00 0.00 O ATOM 296 CB GLU A 33 2.952 3.412 9.491 1.00 0.00 C ATOM 297 CG GLU A 33 2.695 4.804 8.979 1.00 0.00 C ATOM 298 CD GLU A 33 1.375 5.382 9.436 1.00 0.00 C ATOM 299 OE1 GLU A 33 1.053 5.286 10.640 1.00 0.00 O ATOM 300 OE2 GLU A 33 0.649 5.935 8.583 1.00 0.00 O ATOM 0 H GLU A 33 2.997 1.080 8.885 1.00 0.00 H new ATOM 0 HA GLU A 33 4.412 3.187 7.907 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.090 2.784 9.267 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.051 3.443 10.576 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.502 5.458 9.308 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.719 4.792 7.889 1.00 0.00 H new ATOM 307 N GLU A 34 5.397 2.471 10.962 1.00 0.00 N ATOM 308 CA GLU A 34 6.473 2.660 11.913 1.00 0.00 C ATOM 309 C GLU A 34 7.726 1.893 11.498 1.00 0.00 C ATOM 310 O GLU A 34 8.769 2.490 11.265 1.00 0.00 O ATOM 311 CB GLU A 34 6.027 2.218 13.310 1.00 0.00 C ATOM 312 CG GLU A 34 7.172 2.088 14.297 1.00 0.00 C ATOM 313 CD GLU A 34 6.704 1.760 15.695 1.00 0.00 C ATOM 314 OE1 GLU A 34 6.444 2.700 16.477 1.00 0.00 O ATOM 315 OE2 GLU A 34 6.592 0.563 16.023 1.00 0.00 O ATOM 0 H GLU A 34 4.658 1.844 11.281 1.00 0.00 H new ATOM 0 HA GLU A 34 6.719 3.722 11.932 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.304 2.937 13.696 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.514 1.260 13.233 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.854 1.310 13.955 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.736 3.020 14.317 1.00 0.00 H new ATOM 322 N ALA A 35 7.588 0.582 11.366 1.00 0.00 N ATOM 323 CA ALA A 35 8.719 -0.338 11.238 1.00 0.00 C ATOM 324 C ALA A 35 9.677 0.033 10.108 1.00 0.00 C ATOM 325 O ALA A 35 10.893 -0.065 10.272 1.00 0.00 O ATOM 326 CB ALA A 35 8.206 -1.759 11.064 1.00 0.00 C ATOM 0 H ALA A 35 6.680 0.118 11.344 1.00 0.00 H new ATOM 0 HA ALA A 35 9.298 -0.263 12.158 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.050 -2.442 10.969 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.609 -2.039 11.932 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.590 -1.816 10.166 1.00 0.00 H new ATOM 332 N MET A 36 9.139 0.465 8.971 1.00 0.00 N ATOM 333 CA MET A 36 9.969 0.818 7.825 1.00 0.00 C ATOM 334 C MET A 36 10.928 1.955 8.159 1.00 0.00 C ATOM 335 O MET A 36 12.094 1.930 7.765 1.00 0.00 O ATOM 336 CB MET A 36 9.091 1.205 6.639 1.00 0.00 C ATOM 337 CG MET A 36 8.248 0.057 6.119 1.00 0.00 C ATOM 338 SD MET A 36 9.232 -1.281 5.413 1.00 0.00 S ATOM 339 CE MET A 36 9.971 -0.461 4.000 1.00 0.00 C ATOM 0 H MET A 36 8.137 0.578 8.819 1.00 0.00 H new ATOM 0 HA MET A 36 10.564 -0.057 7.562 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.435 2.024 6.933 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.724 1.577 5.833 1.00 0.00 H new ATOM 0 HG2 MET A 36 7.640 -0.338 6.933 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.560 0.433 5.361 1.00 0.00 H new ATOM 0 HE1 MET A 36 10.337 -1.208 3.296 1.00 0.00 H new ATOM 0 HE2 MET A 36 9.224 0.163 3.510 1.00 0.00 H new ATOM 0 HE3 MET A 36 10.802 0.161 4.334 1.00 0.00 H new ATOM 349 N GLU A 37 10.437 2.946 8.889 1.00 0.00 N ATOM 350 CA GLU A 37 11.262 4.088 9.263 1.00 0.00 C ATOM 351 C GLU A 37 11.944 3.825 10.601 1.00 0.00 C ATOM 352 O GLU A 37 13.018 4.348 10.875 1.00 0.00 O ATOM 353 CB GLU A 37 10.404 5.360 9.313 1.00 0.00 C ATOM 354 CG GLU A 37 11.199 6.661 9.390 1.00 0.00 C ATOM 355 CD GLU A 37 11.565 7.063 10.807 1.00 0.00 C ATOM 356 OE1 GLU A 37 10.642 7.304 11.616 1.00 0.00 O ATOM 357 OE2 GLU A 37 12.771 7.174 11.109 1.00 0.00 O ATOM 0 H GLU A 37 9.477 2.984 9.233 1.00 0.00 H new ATOM 0 HA GLU A 37 12.039 4.234 8.513 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.769 5.389 8.427 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.742 5.302 10.177 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.112 6.555 8.803 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.617 7.461 8.933 1.00 0.00 H new ATOM 364 N ASN A 38 11.324 2.975 11.411 1.00 0.00 N ATOM 365 CA ASN A 38 11.838 2.629 12.736 1.00 0.00 C ATOM 366 C ASN A 38 13.166 1.889 12.619 1.00 0.00 C ATOM 367 O ASN A 38 13.918 1.771 13.590 1.00 0.00 O ATOM 368 CB ASN A 38 10.816 1.769 13.485 1.00 0.00 C ATOM 369 CG ASN A 38 11.187 1.526 14.935 1.00 0.00 C ATOM 370 OD1 ASN A 38 11.837 0.534 15.267 1.00 0.00 O ATOM 371 ND2 ASN A 38 10.769 2.425 15.808 1.00 0.00 N ATOM 0 H ASN A 38 10.451 2.505 11.170 1.00 0.00 H new ATOM 0 HA ASN A 38 12.006 3.549 13.296 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.841 2.255 13.443 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.716 0.810 12.977 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.982 2.311 16.799 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.233 3.233 15.491 1.00 0.00 H new ATOM 378 N ASP A 39 13.440 1.384 11.424 1.00 0.00 N ATOM 379 CA ASP A 39 14.729 0.792 11.122 1.00 0.00 C ATOM 380 C ASP A 39 15.825 1.816 11.370 1.00 0.00 C ATOM 381 O ASP A 39 15.744 2.953 10.906 1.00 0.00 O ATOM 382 CB ASP A 39 14.775 0.310 9.671 1.00 0.00 C ATOM 383 CG ASP A 39 16.089 -0.363 9.333 1.00 0.00 C ATOM 384 OD1 ASP A 39 16.242 -1.564 9.643 1.00 0.00 O ATOM 385 OD2 ASP A 39 16.976 0.299 8.764 1.00 0.00 O ATOM 0 H ASP A 39 12.780 1.374 10.646 1.00 0.00 H new ATOM 0 HA ASP A 39 14.884 -0.070 11.771 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.956 -0.387 9.495 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.621 1.158 9.003 1.00 0.00 H new ATOM 390 N THR A 40 16.841 1.403 12.110 1.00 0.00 N ATOM 391 CA THR A 40 17.896 2.304 12.549 1.00 0.00 C ATOM 392 C THR A 40 18.713 2.842 11.375 1.00 0.00 C ATOM 393 O THR A 40 19.360 3.884 11.481 1.00 0.00 O ATOM 394 CB THR A 40 18.828 1.601 13.555 1.00 0.00 C ATOM 395 OG1 THR A 40 19.235 0.326 13.040 1.00 0.00 O ATOM 396 CG2 THR A 40 18.136 1.413 14.895 1.00 0.00 C ATOM 0 H THR A 40 16.958 0.439 12.422 1.00 0.00 H new ATOM 0 HA THR A 40 17.411 3.150 13.037 1.00 0.00 H new ATOM 0 HB THR A 40 19.706 2.230 13.702 1.00 0.00 H new ATOM 0 HG1 THR A 40 19.828 -0.113 13.685 1.00 0.00 H new ATOM 0 HG21 THR A 40 18.814 0.915 15.588 1.00 0.00 H new ATOM 0 HG22 THR A 40 17.855 2.386 15.299 1.00 0.00 H new ATOM 0 HG23 THR A 40 17.242 0.804 14.761 1.00 0.00 H new ATOM 404 N GLU A 41 18.683 2.128 10.259 1.00 0.00 N ATOM 405 CA GLU A 41 19.381 2.562 9.059 1.00 0.00 C ATOM 406 C GLU A 41 18.413 3.193 8.068 1.00 0.00 C ATOM 407 O GLU A 41 18.832 3.630 6.995 1.00 0.00 O ATOM 408 CB GLU A 41 20.096 1.386 8.400 1.00 0.00 C ATOM 409 CG GLU A 41 21.226 0.812 9.233 1.00 0.00 C ATOM 410 CD GLU A 41 21.978 -0.277 8.504 1.00 0.00 C ATOM 411 OE1 GLU A 41 22.716 0.044 7.549 1.00 0.00 O ATOM 412 OE2 GLU A 41 21.832 -1.461 8.873 1.00 0.00 O ATOM 0 H GLU A 41 18.182 1.245 10.160 1.00 0.00 H new ATOM 0 HA GLU A 41 20.119 3.308 9.353 1.00 0.00 H new ATOM 0 HB2 GLU A 41 19.370 0.599 8.198 1.00 0.00 H new ATOM 0 HB3 GLU A 41 20.494 1.708 7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 41 21.917 1.610 9.503 1.00 0.00 H new ATOM 0 HG3 GLU A 41 20.822 0.412 10.163 1.00 0.00 H new ATOM 419 N ASN A 42 17.128 3.240 8.459 1.00 0.00 N ATOM 420 CA ASN A 42 16.027 3.767 7.637 1.00 0.00 C ATOM 421 C ASN A 42 16.310 3.668 6.142 1.00 0.00 C ATOM 422 O ASN A 42 16.485 4.675 5.449 1.00 0.00 O ATOM 423 CB ASN A 42 15.616 5.200 8.054 1.00 0.00 C ATOM 424 CG ASN A 42 16.759 6.201 8.213 1.00 0.00 C ATOM 425 OD1 ASN A 42 16.711 7.063 9.091 1.00 0.00 O ATOM 426 ND2 ASN A 42 17.762 6.136 7.355 1.00 0.00 N ATOM 0 H ASN A 42 16.821 2.906 9.373 1.00 0.00 H new ATOM 0 HA ASN A 42 15.170 3.122 7.833 1.00 0.00 H new ATOM 0 HB2 ASN A 42 14.919 5.588 7.311 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.075 5.142 8.999 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.524 6.812 7.409 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.774 5.410 6.638 1.00 0.00 H new ATOM 433 N LEU A 43 16.336 2.429 5.652 1.00 0.00 N ATOM 434 CA LEU A 43 16.629 2.146 4.249 1.00 0.00 C ATOM 435 C LEU A 43 15.545 2.710 3.334 1.00 0.00 C ATOM 436 O LEU A 43 15.657 2.655 2.109 1.00 0.00 O ATOM 437 CB LEU A 43 16.756 0.633 4.033 1.00 0.00 C ATOM 438 CG LEU A 43 17.819 -0.064 4.889 1.00 0.00 C ATOM 439 CD1 LEU A 43 17.801 -1.563 4.643 1.00 0.00 C ATOM 440 CD2 LEU A 43 19.202 0.502 4.602 1.00 0.00 C ATOM 0 H LEU A 43 16.155 1.597 6.214 1.00 0.00 H new ATOM 0 HA LEU A 43 17.573 2.629 3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 43 15.790 0.171 4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 43 16.982 0.450 2.982 1.00 0.00 H new ATOM 0 HG LEU A 43 17.584 0.120 5.937 1.00 0.00 H new ATOM 0 HD11 LEU A 43 18.562 -2.042 5.259 1.00 0.00 H new ATOM 0 HD12 LEU A 43 16.820 -1.962 4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 43 18.008 -1.762 3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 43 19.940 -0.008 5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 43 19.445 0.352 3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 43 19.213 1.568 4.829 1.00 0.00 H new ATOM 452 N ILE A 44 14.505 3.269 3.944 1.00 0.00 N ATOM 453 CA ILE A 44 13.407 3.874 3.207 1.00 0.00 C ATOM 454 C ILE A 44 13.909 5.028 2.337 1.00 0.00 C ATOM 455 O ILE A 44 13.312 5.349 1.314 1.00 0.00 O ATOM 456 CB ILE A 44 12.310 4.399 4.160 1.00 0.00 C ATOM 457 CG1 ILE A 44 11.002 4.598 3.401 1.00 0.00 C ATOM 458 CG2 ILE A 44 12.734 5.706 4.820 1.00 0.00 C ATOM 459 CD1 ILE A 44 10.092 3.390 3.422 1.00 0.00 C ATOM 0 H ILE A 44 14.402 3.314 4.958 1.00 0.00 H new ATOM 0 HA ILE A 44 12.980 3.098 2.572 1.00 0.00 H new ATOM 0 HB ILE A 44 12.160 3.655 4.942 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.471 5.448 3.829 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.229 4.852 2.366 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.942 6.051 5.485 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.646 5.544 5.395 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.917 6.458 4.053 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.183 3.609 2.862 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.603 2.542 2.967 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.833 3.147 4.453 1.00 0.00 H new ATOM 471 N GLU A 45 15.020 5.643 2.750 1.00 0.00 N ATOM 472 CA GLU A 45 15.580 6.778 2.028 1.00 0.00 C ATOM 473 C GLU A 45 16.227 6.334 0.718 1.00 0.00 C ATOM 474 O GLU A 45 16.364 7.125 -0.216 1.00 0.00 O ATOM 475 CB GLU A 45 16.595 7.525 2.893 1.00 0.00 C ATOM 476 CG GLU A 45 15.978 8.229 4.091 1.00 0.00 C ATOM 477 CD GLU A 45 16.961 9.137 4.801 1.00 0.00 C ATOM 478 OE1 GLU A 45 17.218 10.252 4.299 1.00 0.00 O ATOM 479 OE2 GLU A 45 17.481 8.748 5.866 1.00 0.00 O ATOM 0 H GLU A 45 15.546 5.371 3.580 1.00 0.00 H new ATOM 0 HA GLU A 45 14.760 7.456 1.791 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.347 6.819 3.245 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.112 8.261 2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.120 8.815 3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.604 7.484 4.793 1.00 0.00 H new ATOM 486 N LYS A 46 16.614 5.067 0.650 1.00 0.00 N ATOM 487 CA LYS A 46 17.207 4.519 -0.560 1.00 0.00 C ATOM 488 C LYS A 46 16.129 4.191 -1.581 1.00 0.00 C ATOM 489 O LYS A 46 16.262 4.483 -2.769 1.00 0.00 O ATOM 490 CB LYS A 46 18.008 3.258 -0.247 1.00 0.00 C ATOM 491 CG LYS A 46 19.331 3.533 0.436 1.00 0.00 C ATOM 492 CD LYS A 46 20.005 2.239 0.862 1.00 0.00 C ATOM 493 CE LYS A 46 21.377 2.484 1.468 1.00 0.00 C ATOM 494 NZ LYS A 46 22.320 3.100 0.498 1.00 0.00 N ATOM 0 H LYS A 46 16.528 4.401 1.418 1.00 0.00 H new ATOM 0 HA LYS A 46 17.877 5.272 -0.974 1.00 0.00 H new ATOM 0 HB2 LYS A 46 17.409 2.606 0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 46 18.193 2.716 -1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 46 19.986 4.082 -0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 46 19.169 4.167 1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 46 19.375 1.724 1.587 1.00 0.00 H new ATOM 0 HD3 LYS A 46 20.102 1.580 -0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 46 21.277 3.134 2.337 1.00 0.00 H new ATOM 0 HE3 LYS A 46 21.789 1.539 1.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 23.290 3.032 0.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 22.259 2.599 -0.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 22.071 4.100 0.360 1.00 0.00 H new ATOM 508 N VAL A 47 15.056 3.587 -1.102 1.00 0.00 N ATOM 509 CA VAL A 47 13.976 3.134 -1.961 1.00 0.00 C ATOM 510 C VAL A 47 12.784 4.096 -1.887 1.00 0.00 C ATOM 511 O VAL A 47 11.626 3.692 -1.978 1.00 0.00 O ATOM 512 CB VAL A 47 13.562 1.683 -1.599 1.00 0.00 C ATOM 513 CG1 VAL A 47 13.005 1.602 -0.184 1.00 0.00 C ATOM 514 CG2 VAL A 47 12.578 1.113 -2.618 1.00 0.00 C ATOM 0 H VAL A 47 14.909 3.397 -0.111 1.00 0.00 H new ATOM 0 HA VAL A 47 14.331 3.129 -2.992 1.00 0.00 H new ATOM 0 HB VAL A 47 14.461 1.068 -1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.724 0.572 0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 47 13.764 1.932 0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.127 2.243 -0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 47 12.309 0.096 -2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 47 11.681 1.732 -2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 47 13.041 1.104 -3.605 1.00 0.00 H new ATOM 524 N ARG A 48 13.074 5.380 -1.690 1.00 0.00 N ATOM 525 CA ARG A 48 12.025 6.390 -1.644 1.00 0.00 C ATOM 526 C ARG A 48 11.108 6.293 -2.851 1.00 0.00 C ATOM 527 O ARG A 48 11.525 6.477 -3.996 1.00 0.00 O ATOM 528 CB ARG A 48 12.603 7.793 -1.540 1.00 0.00 C ATOM 529 CG ARG A 48 13.131 8.103 -0.160 1.00 0.00 C ATOM 530 CD ARG A 48 13.400 9.588 0.011 1.00 0.00 C ATOM 531 NE ARG A 48 14.385 10.085 -0.949 1.00 0.00 N ATOM 532 CZ ARG A 48 14.155 11.061 -1.830 1.00 0.00 C ATOM 533 NH1 ARG A 48 12.946 11.606 -1.937 1.00 0.00 N ATOM 534 NH2 ARG A 48 15.134 11.474 -2.624 1.00 0.00 N ATOM 0 H ARG A 48 14.019 5.742 -1.561 1.00 0.00 H new ATOM 0 HA ARG A 48 11.438 6.194 -0.747 1.00 0.00 H new ATOM 0 HB2 ARG A 48 13.408 7.905 -2.266 1.00 0.00 H new ATOM 0 HB3 ARG A 48 11.834 8.519 -1.802 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.411 7.774 0.589 1.00 0.00 H new ATOM 0 HG3 ARG A 48 14.050 7.543 0.014 1.00 0.00 H new ATOM 0 HD2 ARG A 48 12.468 10.140 -0.108 1.00 0.00 H new ATOM 0 HD3 ARG A 48 13.755 9.777 1.024 1.00 0.00 H new ATOM 0 HE ARG A 48 15.311 9.657 -0.945 1.00 0.00 H new ATOM 0 HH11 ARG A 48 12.185 11.279 -1.343 1.00 0.00 H new ATOM 0 HH12 ARG A 48 12.781 12.351 -2.613 1.00 0.00 H new ATOM 0 HH21 ARG A 48 16.058 11.046 -2.560 1.00 0.00 H new ATOM 0 HH22 ARG A 48 14.963 12.220 -3.299 1.00 0.00 H new ATOM 548 N GLY A 49 9.859 6.002 -2.561 1.00 0.00 N ATOM 549 CA GLY A 49 8.864 5.807 -3.589 1.00 0.00 C ATOM 550 C GLY A 49 7.492 5.658 -2.979 1.00 0.00 C ATOM 551 O GLY A 49 7.358 5.652 -1.761 1.00 0.00 O ATOM 0 H GLY A 49 9.507 5.895 -1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.872 6.653 -4.276 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.106 4.919 -4.174 1.00 0.00 H new ATOM 555 N ILE A 50 6.469 5.548 -3.797 1.00 0.00 N ATOM 556 CA ILE A 50 5.122 5.436 -3.273 1.00 0.00 C ATOM 557 C ILE A 50 4.508 4.086 -3.608 1.00 0.00 C ATOM 558 O ILE A 50 4.442 3.686 -4.771 1.00 0.00 O ATOM 559 CB ILE A 50 4.237 6.585 -3.788 1.00 0.00 C ATOM 560 CG1 ILE A 50 4.867 7.913 -3.364 1.00 0.00 C ATOM 561 CG2 ILE A 50 2.816 6.455 -3.257 1.00 0.00 C ATOM 562 CD1 ILE A 50 4.081 9.135 -3.761 1.00 0.00 C ATOM 0 H ILE A 50 6.539 5.534 -4.814 1.00 0.00 H new ATOM 0 HA ILE A 50 5.181 5.512 -2.187 1.00 0.00 H new ATOM 0 HB ILE A 50 4.176 6.544 -4.876 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.990 7.912 -2.281 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.864 7.982 -3.798 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.210 7.278 -3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.389 5.508 -3.588 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.831 6.485 -2.168 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.602 10.029 -3.420 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.980 9.166 -4.846 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.092 9.095 -3.305 1.00 0.00 H new ATOM 574 N TYR A 51 4.069 3.389 -2.572 1.00 0.00 N ATOM 575 CA TYR A 51 3.509 2.055 -2.722 1.00 0.00 C ATOM 576 C TYR A 51 1.999 2.101 -2.549 1.00 0.00 C ATOM 577 O TYR A 51 1.501 2.488 -1.493 1.00 0.00 O ATOM 578 CB TYR A 51 4.108 1.101 -1.683 1.00 0.00 C ATOM 579 CG TYR A 51 5.615 1.178 -1.564 1.00 0.00 C ATOM 580 CD1 TYR A 51 6.440 0.509 -2.456 1.00 0.00 C ATOM 581 CD2 TYR A 51 6.210 1.922 -0.554 1.00 0.00 C ATOM 582 CE1 TYR A 51 7.814 0.579 -2.347 1.00 0.00 C ATOM 583 CE2 TYR A 51 7.584 1.995 -0.438 1.00 0.00 C ATOM 584 CZ TYR A 51 8.379 1.323 -1.337 1.00 0.00 C ATOM 585 OH TYR A 51 9.744 1.391 -1.224 1.00 0.00 O ATOM 0 H TYR A 51 4.090 3.729 -1.610 1.00 0.00 H new ATOM 0 HA TYR A 51 3.751 1.692 -3.721 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.667 1.318 -0.710 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.827 0.080 -1.940 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.000 -0.077 -3.249 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.588 2.452 0.152 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.442 0.053 -3.051 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.032 2.577 0.354 1.00 0.00 H new ATOM 0 HH TYR A 51 10.044 2.301 -1.429 1.00 0.00 H new ATOM 595 N GLY A 52 1.276 1.725 -3.586 1.00 0.00 N ATOM 596 CA GLY A 52 -0.167 1.688 -3.501 1.00 0.00 C ATOM 597 C GLY A 52 -0.668 0.281 -3.277 1.00 0.00 C ATOM 598 O GLY A 52 -0.547 -0.576 -4.151 1.00 0.00 O ATOM 0 H GLY A 52 1.661 1.444 -4.488 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.502 2.330 -2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.598 2.088 -4.419 1.00 0.00 H new ATOM 602 N PHE A 53 -1.210 0.034 -2.100 1.00 0.00 N ATOM 603 CA PHE A 53 -1.699 -1.291 -1.754 1.00 0.00 C ATOM 604 C PHE A 53 -3.196 -1.418 -1.994 1.00 0.00 C ATOM 605 O PHE A 53 -4.004 -0.801 -1.298 1.00 0.00 O ATOM 606 CB PHE A 53 -1.378 -1.621 -0.295 1.00 0.00 C ATOM 607 CG PHE A 53 -0.120 -2.421 -0.116 1.00 0.00 C ATOM 608 CD1 PHE A 53 1.123 -1.864 -0.369 1.00 0.00 C ATOM 609 CD2 PHE A 53 -0.184 -3.736 0.317 1.00 0.00 C ATOM 610 CE1 PHE A 53 2.278 -2.604 -0.194 1.00 0.00 C ATOM 611 CE2 PHE A 53 0.964 -4.482 0.493 1.00 0.00 C ATOM 612 CZ PHE A 53 2.198 -3.915 0.237 1.00 0.00 C ATOM 0 H PHE A 53 -1.324 0.732 -1.365 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.190 -2.003 -2.403 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.289 -0.691 0.267 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.213 -2.174 0.135 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.191 -0.840 -0.707 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.146 -4.183 0.520 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.241 -2.158 -0.394 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.898 -5.506 0.830 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.099 -4.495 0.373 1.00 0.00 H new ATOM 622 N LYS A 54 -3.551 -2.218 -2.988 1.00 0.00 N ATOM 623 CA LYS A 54 -4.940 -2.554 -3.255 1.00 0.00 C ATOM 624 C LYS A 54 -5.277 -3.878 -2.582 1.00 0.00 C ATOM 625 O LYS A 54 -4.867 -4.944 -3.046 1.00 0.00 O ATOM 626 CB LYS A 54 -5.193 -2.671 -4.758 1.00 0.00 C ATOM 627 CG LYS A 54 -5.165 -1.359 -5.520 1.00 0.00 C ATOM 628 CD LYS A 54 -5.515 -1.592 -6.982 1.00 0.00 C ATOM 629 CE LYS A 54 -5.433 -0.315 -7.805 1.00 0.00 C ATOM 630 NZ LYS A 54 -5.757 -0.552 -9.240 1.00 0.00 N ATOM 0 H LYS A 54 -2.887 -2.651 -3.630 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.572 -1.760 -2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.444 -3.338 -5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.164 -3.142 -4.912 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.872 -0.658 -5.077 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.176 -0.907 -5.443 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.838 -2.336 -7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.522 -2.002 -7.051 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.121 0.425 -7.396 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.430 0.104 -7.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.689 0.344 -9.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.085 -1.238 -9.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.724 -0.927 -9.320 1.00 0.00 H new ATOM 644 N VAL A 55 -6.017 -3.812 -1.491 1.00 0.00 N ATOM 645 CA VAL A 55 -6.310 -4.994 -0.698 1.00 0.00 C ATOM 646 C VAL A 55 -7.753 -5.448 -0.901 1.00 0.00 C ATOM 647 O VAL A 55 -8.690 -4.800 -0.442 1.00 0.00 O ATOM 648 CB VAL A 55 -6.062 -4.727 0.803 1.00 0.00 C ATOM 649 CG1 VAL A 55 -6.192 -6.006 1.613 1.00 0.00 C ATOM 650 CG2 VAL A 55 -4.692 -4.099 1.017 1.00 0.00 C ATOM 0 H VAL A 55 -6.428 -2.950 -1.132 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.640 -5.785 -1.035 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.822 -4.027 1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.013 -5.790 2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.196 -6.413 1.492 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.461 -6.734 1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.537 -3.919 2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.920 -4.774 0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.637 -3.154 0.477 1.00 0.00 H new ATOM 660 N ARG A 56 -7.925 -6.551 -1.615 1.00 0.00 N ATOM 661 CA ARG A 56 -9.240 -7.142 -1.818 1.00 0.00 C ATOM 662 C ARG A 56 -9.528 -8.196 -0.748 1.00 0.00 C ATOM 663 O ARG A 56 -8.696 -8.443 0.126 1.00 0.00 O ATOM 664 CB ARG A 56 -9.324 -7.790 -3.201 1.00 0.00 C ATOM 665 CG ARG A 56 -9.709 -6.839 -4.319 1.00 0.00 C ATOM 666 CD ARG A 56 -8.674 -5.766 -4.549 1.00 0.00 C ATOM 667 NE ARG A 56 -9.249 -4.594 -5.209 1.00 0.00 N ATOM 668 CZ ARG A 56 -8.677 -3.941 -6.215 1.00 0.00 C ATOM 669 NH1 ARG A 56 -7.528 -4.365 -6.726 1.00 0.00 N ATOM 670 NH2 ARG A 56 -9.272 -2.877 -6.730 1.00 0.00 N ATOM 0 H ARG A 56 -7.164 -7.058 -2.067 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.982 -6.347 -1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.359 -8.237 -3.438 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.051 -8.601 -3.165 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.851 -7.405 -5.240 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.665 -6.372 -4.081 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.239 -5.470 -3.595 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.864 -6.166 -5.158 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.151 -4.255 -4.874 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.078 -5.198 -6.347 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.095 -3.858 -7.498 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.166 -2.561 -6.355 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.836 -2.373 -7.502 1.00 0.00 H new ATOM 684 N ASN A 57 -10.706 -8.814 -0.836 1.00 0.00 N ATOM 685 CA ASN A 57 -11.102 -9.909 0.060 1.00 0.00 C ATOM 686 C ASN A 57 -11.091 -9.477 1.520 1.00 0.00 C ATOM 687 O ASN A 57 -10.588 -10.195 2.384 1.00 0.00 O ATOM 688 CB ASN A 57 -10.189 -11.127 -0.115 1.00 0.00 C ATOM 689 CG ASN A 57 -10.317 -11.790 -1.475 1.00 0.00 C ATOM 690 OD1 ASN A 57 -9.354 -12.354 -1.992 1.00 0.00 O ATOM 691 ND2 ASN A 57 -11.503 -11.740 -2.060 1.00 0.00 N ATOM 0 H ASN A 57 -11.415 -8.572 -1.529 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.121 -10.182 -0.214 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.154 -10.820 0.034 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.419 -11.858 0.660 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.641 -12.179 -2.970 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.279 -11.263 -1.600 1.00 0.00 H new ATOM 698 N GLY A 58 -11.636 -8.306 1.789 1.00 0.00 N ATOM 699 CA GLY A 58 -11.748 -7.836 3.153 1.00 0.00 C ATOM 700 C GLY A 58 -12.944 -8.434 3.873 1.00 0.00 C ATOM 701 O GLY A 58 -13.533 -9.401 3.387 1.00 0.00 O ATOM 0 H GLY A 58 -12.006 -7.667 1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.837 -8.086 3.697 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.832 -6.749 3.155 1.00 0.00 H new ATOM 705 N PRO A 59 -13.331 -7.849 5.025 1.00 0.00 N ATOM 706 CA PRO A 59 -14.417 -8.338 5.886 1.00 0.00 C ATOM 707 C PRO A 59 -15.602 -8.951 5.135 1.00 0.00 C ATOM 708 O PRO A 59 -15.911 -10.131 5.305 1.00 0.00 O ATOM 709 CB PRO A 59 -14.860 -7.067 6.597 1.00 0.00 C ATOM 710 CG PRO A 59 -13.628 -6.236 6.718 1.00 0.00 C ATOM 711 CD PRO A 59 -12.704 -6.645 5.599 1.00 0.00 C ATOM 0 HA PRO A 59 -14.073 -9.148 6.529 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.631 -6.547 6.029 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.282 -7.291 7.577 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -13.871 -5.176 6.649 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.152 -6.392 7.686 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.608 -5.854 4.855 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.701 -6.858 5.970 1.00 0.00 H new ATOM 719 N ASN A 60 -16.248 -8.151 4.301 1.00 0.00 N ATOM 720 CA ASN A 60 -17.409 -8.604 3.541 1.00 0.00 C ATOM 721 C ASN A 60 -17.094 -8.617 2.052 1.00 0.00 C ATOM 722 O ASN A 60 -17.907 -8.208 1.221 1.00 0.00 O ATOM 723 CB ASN A 60 -18.618 -7.696 3.823 1.00 0.00 C ATOM 724 CG ASN A 60 -18.390 -6.237 3.443 1.00 0.00 C ATOM 725 OD1 ASN A 60 -17.265 -5.732 3.474 1.00 0.00 O ATOM 726 ND2 ASN A 60 -19.464 -5.547 3.091 1.00 0.00 N ATOM 0 H ASN A 60 -15.988 -7.179 4.131 1.00 0.00 H new ATOM 0 HA ASN A 60 -17.655 -9.619 3.853 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -19.481 -8.074 3.275 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -18.864 -7.752 4.883 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -19.377 -4.564 2.834 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -20.378 -5.999 3.077 1.00 0.00 H new ATOM 733 N GLY A 61 -15.912 -9.114 1.712 1.00 0.00 N ATOM 734 CA GLY A 61 -15.427 -8.989 0.355 1.00 0.00 C ATOM 735 C GLY A 61 -15.018 -7.563 0.086 1.00 0.00 C ATOM 736 O GLY A 61 -15.001 -7.104 -1.051 1.00 0.00 O ATOM 0 H GLY A 61 -15.283 -9.600 2.351 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.578 -9.655 0.200 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.203 -9.293 -0.347 1.00 0.00 H new ATOM 740 N ALA A 62 -14.696 -6.871 1.167 1.00 0.00 N ATOM 741 CA ALA A 62 -14.371 -5.461 1.124 1.00 0.00 C ATOM 742 C ALA A 62 -13.042 -5.215 0.463 1.00 0.00 C ATOM 743 O ALA A 62 -12.173 -6.084 0.409 1.00 0.00 O ATOM 744 CB ALA A 62 -14.372 -4.888 2.530 1.00 0.00 C ATOM 0 H ALA A 62 -14.654 -7.277 2.102 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.133 -4.960 0.526 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.127 -3.827 2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.359 -5.016 2.974 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.631 -5.409 3.136 1.00 0.00 H new ATOM 750 N GLU A 63 -12.913 -4.025 -0.054 1.00 0.00 N ATOM 751 CA GLU A 63 -11.702 -3.588 -0.678 1.00 0.00 C ATOM 752 C GLU A 63 -11.106 -2.438 0.113 1.00 0.00 C ATOM 753 O GLU A 63 -11.826 -1.570 0.607 1.00 0.00 O ATOM 754 CB GLU A 63 -12.013 -3.140 -2.090 1.00 0.00 C ATOM 755 CG GLU A 63 -12.401 -4.263 -3.030 1.00 0.00 C ATOM 756 CD GLU A 63 -12.675 -3.750 -4.424 1.00 0.00 C ATOM 757 OE1 GLU A 63 -11.711 -3.362 -5.117 1.00 0.00 O ATOM 758 OE2 GLU A 63 -13.854 -3.694 -4.826 1.00 0.00 O ATOM 0 H GLU A 63 -13.656 -3.326 -0.052 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.982 -4.406 -0.705 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.824 -2.413 -2.057 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.141 -2.627 -2.496 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.601 -5.003 -3.064 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.287 -4.769 -2.647 1.00 0.00 H new ATOM 765 N GLY A 64 -9.802 -2.457 0.257 1.00 0.00 N ATOM 766 CA GLY A 64 -9.116 -1.378 0.913 1.00 0.00 C ATOM 767 C GLY A 64 -7.967 -0.883 0.074 1.00 0.00 C ATOM 768 O GLY A 64 -7.411 -1.636 -0.722 1.00 0.00 O ATOM 0 H GLY A 64 -9.198 -3.210 -0.073 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.812 -0.561 1.102 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.746 -1.713 1.882 1.00 0.00 H new ATOM 772 N TYR A 65 -7.611 0.374 0.236 1.00 0.00 N ATOM 773 CA TYR A 65 -6.529 0.947 -0.533 1.00 0.00 C ATOM 774 C TYR A 65 -5.680 1.866 0.336 1.00 0.00 C ATOM 775 O TYR A 65 -6.159 2.886 0.833 1.00 0.00 O ATOM 776 CB TYR A 65 -7.084 1.701 -1.741 1.00 0.00 C ATOM 777 CG TYR A 65 -6.015 2.322 -2.600 1.00 0.00 C ATOM 778 CD1 TYR A 65 -5.025 1.540 -3.180 1.00 0.00 C ATOM 779 CD2 TYR A 65 -5.988 3.691 -2.821 1.00 0.00 C ATOM 780 CE1 TYR A 65 -4.039 2.108 -3.958 1.00 0.00 C ATOM 781 CE2 TYR A 65 -5.006 4.266 -3.599 1.00 0.00 C ATOM 782 CZ TYR A 65 -4.034 3.471 -4.166 1.00 0.00 C ATOM 783 OH TYR A 65 -3.055 4.043 -4.944 1.00 0.00 O ATOM 0 H TYR A 65 -8.055 1.017 0.892 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.890 0.140 -0.892 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.675 1.015 -2.348 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.760 2.482 -1.393 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.028 0.472 -3.019 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.748 4.316 -2.377 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.274 1.488 -4.402 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.999 5.333 -3.763 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.198 5.011 -4.990 1.00 0.00 H new ATOM 793 N TRP A 66 -4.419 1.503 0.507 1.00 0.00 N ATOM 794 CA TRP A 66 -3.513 2.274 1.346 1.00 0.00 C ATOM 795 C TRP A 66 -2.303 2.713 0.547 1.00 0.00 C ATOM 796 O TRP A 66 -1.700 1.923 -0.177 1.00 0.00 O ATOM 797 CB TRP A 66 -3.054 1.485 2.582 1.00 0.00 C ATOM 798 CG TRP A 66 -4.130 1.257 3.601 1.00 0.00 C ATOM 799 CD1 TRP A 66 -4.355 1.995 4.726 1.00 0.00 C ATOM 800 CD2 TRP A 66 -5.120 0.222 3.597 1.00 0.00 C ATOM 801 NE1 TRP A 66 -5.420 1.483 5.422 1.00 0.00 N ATOM 802 CE2 TRP A 66 -5.908 0.395 4.751 1.00 0.00 C ATOM 803 CE3 TRP A 66 -5.418 -0.832 2.733 1.00 0.00 C ATOM 804 CZ2 TRP A 66 -6.972 -0.446 5.058 1.00 0.00 C ATOM 805 CZ3 TRP A 66 -6.475 -1.666 3.040 1.00 0.00 C ATOM 806 CH2 TRP A 66 -7.241 -1.470 4.194 1.00 0.00 C ATOM 0 H TRP A 66 -3.999 0.679 0.076 1.00 0.00 H new ATOM 0 HA TRP A 66 -4.064 3.148 1.693 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.665 0.519 2.259 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -2.229 2.019 3.054 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.778 2.858 5.025 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -5.789 1.853 6.298 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.832 -0.993 1.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -7.565 -0.295 5.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -6.715 -2.484 2.377 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -8.061 -2.141 4.406 1.00 0.00 H new ATOM 817 N VAL A 67 -1.973 3.978 0.669 1.00 0.00 N ATOM 818 CA VAL A 67 -0.824 4.539 -0.003 1.00 0.00 C ATOM 819 C VAL A 67 0.325 4.711 0.977 1.00 0.00 C ATOM 820 O VAL A 67 0.247 5.520 1.902 1.00 0.00 O ATOM 821 CB VAL A 67 -1.172 5.899 -0.641 1.00 0.00 C ATOM 822 CG1 VAL A 67 0.079 6.610 -1.119 1.00 0.00 C ATOM 823 CG2 VAL A 67 -2.148 5.715 -1.790 1.00 0.00 C ATOM 0 H VAL A 67 -2.493 4.647 1.237 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.523 3.851 -0.793 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.645 6.518 0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.194 7.566 -1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.746 6.781 -0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.586 5.995 -1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.382 6.685 -2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.700 5.073 -2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.064 5.254 -1.419 1.00 0.00 H new ATOM 833 N ILE A 68 1.376 3.933 0.787 1.00 0.00 N ATOM 834 CA ILE A 68 2.566 4.056 1.606 1.00 0.00 C ATOM 835 C ILE A 68 3.515 5.056 0.961 1.00 0.00 C ATOM 836 O ILE A 68 4.184 4.755 -0.032 1.00 0.00 O ATOM 837 CB ILE A 68 3.298 2.705 1.822 1.00 0.00 C ATOM 838 CG1 ILE A 68 2.392 1.687 2.527 1.00 0.00 C ATOM 839 CG2 ILE A 68 4.572 2.912 2.633 1.00 0.00 C ATOM 840 CD1 ILE A 68 1.403 0.995 1.614 1.00 0.00 C ATOM 0 H ILE A 68 1.428 3.208 0.071 1.00 0.00 H new ATOM 0 HA ILE A 68 2.248 4.402 2.590 1.00 0.00 H new ATOM 0 HB ILE A 68 3.559 2.310 0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.017 0.932 3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.843 2.195 3.320 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.073 1.954 2.775 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.236 3.593 2.100 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.320 3.337 3.604 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.803 0.293 2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.750 1.738 1.155 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.942 0.455 0.836 1.00 0.00 H new ATOM 852 N ASN A 69 3.544 6.255 1.516 1.00 0.00 N ATOM 853 CA ASN A 69 4.378 7.318 0.992 1.00 0.00 C ATOM 854 C ASN A 69 5.779 7.211 1.575 1.00 0.00 C ATOM 855 O ASN A 69 6.049 7.679 2.683 1.00 0.00 O ATOM 856 CB ASN A 69 3.759 8.687 1.322 1.00 0.00 C ATOM 857 CG ASN A 69 4.509 9.858 0.699 1.00 0.00 C ATOM 858 OD1 ASN A 69 5.732 9.836 0.552 1.00 0.00 O ATOM 859 ND2 ASN A 69 3.774 10.893 0.325 1.00 0.00 N ATOM 0 H ASN A 69 2.995 6.516 2.335 1.00 0.00 H new ATOM 0 HA ASN A 69 4.442 7.221 -0.092 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.725 8.702 0.977 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.735 8.815 2.404 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.218 11.707 -0.100 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.763 10.877 0.462 1.00 0.00 H new ATOM 866 N ALA A 70 6.662 6.591 0.816 1.00 0.00 N ATOM 867 CA ALA A 70 8.069 6.533 1.160 1.00 0.00 C ATOM 868 C ALA A 70 8.815 7.583 0.353 1.00 0.00 C ATOM 869 O ALA A 70 10.019 7.766 0.504 1.00 0.00 O ATOM 870 CB ALA A 70 8.622 5.146 0.889 1.00 0.00 C ATOM 0 H ALA A 70 6.425 6.115 -0.054 1.00 0.00 H new ATOM 0 HA ALA A 70 8.199 6.739 2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.679 5.118 1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.080 4.415 1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.505 4.908 -0.168 1.00 0.00 H new ATOM 876 N LYS A 71 8.056 8.272 -0.498 1.00 0.00 N ATOM 877 CA LYS A 71 8.565 9.326 -1.371 1.00 0.00 C ATOM 878 C LYS A 71 9.368 10.352 -0.583 1.00 0.00 C ATOM 879 O LYS A 71 10.504 10.677 -0.930 1.00 0.00 O ATOM 880 CB LYS A 71 7.374 10.016 -2.038 1.00 0.00 C ATOM 881 CG LYS A 71 7.738 11.143 -2.978 1.00 0.00 C ATOM 882 CD LYS A 71 6.595 12.135 -3.088 1.00 0.00 C ATOM 883 CE LYS A 71 6.949 13.293 -3.995 1.00 0.00 C ATOM 884 NZ LYS A 71 5.839 14.272 -4.095 1.00 0.00 N ATOM 0 H LYS A 71 7.054 8.110 -0.601 1.00 0.00 H new ATOM 0 HA LYS A 71 9.224 8.883 -2.118 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.803 9.270 -2.591 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.717 10.408 -1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.633 11.650 -2.618 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.974 10.741 -3.963 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.709 11.629 -3.472 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.343 12.512 -2.097 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.841 13.792 -3.616 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.192 12.916 -4.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.119 15.051 -4.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.995 13.802 -4.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.624 14.651 -3.151 1.00 0.00 H new ATOM 898 N GLU A 72 8.774 10.843 0.493 1.00 0.00 N ATOM 899 CA GLU A 72 9.391 11.880 1.304 1.00 0.00 C ATOM 900 C GLU A 72 10.363 11.282 2.315 1.00 0.00 C ATOM 901 O GLU A 72 11.042 12.001 3.046 1.00 0.00 O ATOM 902 CB GLU A 72 8.309 12.685 2.018 1.00 0.00 C ATOM 903 CG GLU A 72 7.299 13.317 1.068 1.00 0.00 C ATOM 904 CD GLU A 72 7.922 14.335 0.130 1.00 0.00 C ATOM 905 OE1 GLU A 72 8.711 13.941 -0.758 1.00 0.00 O ATOM 906 OE2 GLU A 72 7.615 15.536 0.267 1.00 0.00 O ATOM 0 H GLU A 72 7.860 10.538 0.826 1.00 0.00 H new ATOM 0 HA GLU A 72 9.958 12.541 0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.782 12.033 2.715 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.781 13.470 2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.822 12.533 0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.514 13.800 1.650 1.00 0.00 H new ATOM 913 N GLY A 73 10.428 9.960 2.340 1.00 0.00 N ATOM 914 CA GLY A 73 11.314 9.273 3.259 1.00 0.00 C ATOM 915 C GLY A 73 10.667 9.030 4.605 1.00 0.00 C ATOM 916 O GLY A 73 11.319 8.580 5.546 1.00 0.00 O ATOM 0 H GLY A 73 9.880 9.346 1.737 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.615 8.319 2.826 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.221 9.862 3.395 1.00 0.00 H new ATOM 920 N LYS A 74 9.380 9.327 4.691 1.00 0.00 N ATOM 921 CA LYS A 74 8.629 9.155 5.905 1.00 0.00 C ATOM 922 C LYS A 74 8.152 7.708 6.044 1.00 0.00 C ATOM 923 O LYS A 74 8.249 7.111 7.116 1.00 0.00 O ATOM 924 CB LYS A 74 7.469 10.144 5.865 1.00 0.00 C ATOM 925 CG LYS A 74 6.228 9.690 6.585 1.00 0.00 C ATOM 926 CD LYS A 74 6.401 9.661 8.099 1.00 0.00 C ATOM 927 CE LYS A 74 6.697 11.039 8.673 1.00 0.00 C ATOM 928 NZ LYS A 74 6.837 11.001 10.153 1.00 0.00 N ATOM 0 H LYS A 74 8.833 9.695 3.913 1.00 0.00 H new ATOM 0 HA LYS A 74 9.247 9.354 6.781 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.799 11.088 6.299 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.216 10.343 4.824 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.402 10.355 6.331 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.955 8.694 6.236 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.495 9.265 8.558 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.213 8.980 8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.614 11.428 8.231 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.896 11.726 8.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.038 11.958 10.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.953 10.654 10.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.618 10.365 10.412 1.00 0.00 H new ATOM 942 N GLY A 75 7.635 7.153 4.951 1.00 0.00 N ATOM 943 CA GLY A 75 7.241 5.759 4.943 1.00 0.00 C ATOM 944 C GLY A 75 5.912 5.522 5.629 1.00 0.00 C ATOM 945 O GLY A 75 5.717 4.487 6.261 1.00 0.00 O ATOM 0 H GLY A 75 7.483 7.646 4.071 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.181 5.409 3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.011 5.166 5.437 1.00 0.00 H new ATOM 949 N LYS A 76 4.987 6.469 5.502 1.00 0.00 N ATOM 950 CA LYS A 76 3.703 6.348 6.181 1.00 0.00 C ATOM 951 C LYS A 76 2.660 5.785 5.229 1.00 0.00 C ATOM 952 O LYS A 76 2.869 5.775 4.022 1.00 0.00 O ATOM 953 CB LYS A 76 3.210 7.703 6.698 1.00 0.00 C ATOM 954 CG LYS A 76 2.612 8.584 5.610 1.00 0.00 C ATOM 955 CD LYS A 76 1.784 9.733 6.175 1.00 0.00 C ATOM 956 CE LYS A 76 0.447 9.271 6.762 1.00 0.00 C ATOM 957 NZ LYS A 76 0.586 8.593 8.081 1.00 0.00 N ATOM 0 H LYS A 76 5.100 7.316 4.944 1.00 0.00 H new ATOM 0 HA LYS A 76 3.846 5.677 7.028 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.462 7.537 7.473 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.042 8.230 7.165 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.415 8.988 4.993 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.985 7.975 4.958 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.358 10.242 6.949 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.597 10.461 5.386 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.211 10.133 6.872 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.034 8.590 6.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.234 8.824 8.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.632 7.564 7.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.457 8.918 8.548 1.00 0.00 H new ATOM 971 N VAL A 77 1.531 5.337 5.761 1.00 0.00 N ATOM 972 CA VAL A 77 0.474 4.811 4.920 1.00 0.00 C ATOM 973 C VAL A 77 -0.814 5.588 5.170 1.00 0.00 C ATOM 974 O VAL A 77 -1.144 5.926 6.307 1.00 0.00 O ATOM 975 CB VAL A 77 0.250 3.278 5.113 1.00 0.00 C ATOM 976 CG1 VAL A 77 1.469 2.622 5.746 1.00 0.00 C ATOM 977 CG2 VAL A 77 -0.998 2.964 5.925 1.00 0.00 C ATOM 0 H VAL A 77 1.328 5.328 6.761 1.00 0.00 H new ATOM 0 HA VAL A 77 0.783 4.942 3.883 1.00 0.00 H new ATOM 0 HB VAL A 77 0.100 2.862 4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.285 1.555 5.869 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.337 2.769 5.103 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.659 3.072 6.720 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.103 1.884 6.027 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.912 3.415 6.913 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.874 3.367 5.417 1.00 0.00 H new ATOM 987 N THR A 78 -1.505 5.914 4.097 1.00 0.00 N ATOM 988 CA THR A 78 -2.746 6.657 4.186 1.00 0.00 C ATOM 989 C THR A 78 -3.794 6.034 3.273 1.00 0.00 C ATOM 990 O THR A 78 -3.493 5.655 2.139 1.00 0.00 O ATOM 991 CB THR A 78 -2.526 8.147 3.824 1.00 0.00 C ATOM 992 OG1 THR A 78 -3.781 8.837 3.743 1.00 0.00 O ATOM 993 CG2 THR A 78 -1.765 8.296 2.512 1.00 0.00 C ATOM 0 H THR A 78 -1.226 5.674 3.146 1.00 0.00 H new ATOM 0 HA THR A 78 -3.103 6.611 5.215 1.00 0.00 H new ATOM 0 HB THR A 78 -1.925 8.592 4.617 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.623 9.777 3.515 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.628 9.354 2.289 1.00 0.00 H new ATOM 0 HG22 THR A 78 -0.791 7.815 2.600 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.331 7.826 1.708 1.00 0.00 H new ATOM 1001 N TYR A 79 -5.015 5.897 3.777 1.00 0.00 N ATOM 1002 CA TYR A 79 -6.084 5.285 3.004 1.00 0.00 C ATOM 1003 C TYR A 79 -6.485 6.209 1.868 1.00 0.00 C ATOM 1004 O TYR A 79 -6.969 7.316 2.105 1.00 0.00 O ATOM 1005 CB TYR A 79 -7.296 4.973 3.887 1.00 0.00 C ATOM 1006 CG TYR A 79 -8.324 4.096 3.204 1.00 0.00 C ATOM 1007 CD1 TYR A 79 -9.304 4.640 2.381 1.00 0.00 C ATOM 1008 CD2 TYR A 79 -8.305 2.720 3.374 1.00 0.00 C ATOM 1009 CE1 TYR A 79 -10.235 3.836 1.752 1.00 0.00 C ATOM 1010 CE2 TYR A 79 -9.231 1.910 2.747 1.00 0.00 C ATOM 1011 CZ TYR A 79 -10.194 2.473 1.938 1.00 0.00 C ATOM 1012 OH TYR A 79 -11.111 1.668 1.306 1.00 0.00 O ATOM 0 H TYR A 79 -5.286 6.200 4.712 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.719 4.344 2.594 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.956 4.480 4.798 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.768 5.908 4.187 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.338 5.709 2.231 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.553 2.274 4.008 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.991 4.275 1.118 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.201 0.840 2.890 1.00 0.00 H new ATOM 0 HH TYR A 79 -11.380 2.081 0.459 1.00 0.00 H new ATOM 1022 N ASN A 80 -6.282 5.737 0.642 1.00 0.00 N ATOM 1023 CA ASN A 80 -6.488 6.546 -0.556 1.00 0.00 C ATOM 1024 C ASN A 80 -5.712 7.853 -0.445 1.00 0.00 C ATOM 1025 O ASN A 80 -6.278 8.919 -0.201 1.00 0.00 O ATOM 1026 CB ASN A 80 -7.977 6.818 -0.794 1.00 0.00 C ATOM 1027 CG ASN A 80 -8.225 7.519 -2.117 1.00 0.00 C ATOM 1028 OD1 ASN A 80 -7.470 7.346 -3.077 1.00 0.00 O ATOM 1029 ND2 ASN A 80 -9.277 8.316 -2.179 1.00 0.00 N ATOM 0 H ASN A 80 -5.971 4.785 0.450 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.114 5.987 -1.414 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.525 5.876 -0.775 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.368 7.430 0.019 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.489 8.815 -3.043 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.877 8.433 -1.363 1.00 0.00 H new ATOM 1036 N GLY A 81 -4.401 7.750 -0.602 1.00 0.00 N ATOM 1037 CA GLY A 81 -3.533 8.906 -0.473 1.00 0.00 C ATOM 1038 C GLY A 81 -3.797 9.969 -1.520 1.00 0.00 C ATOM 1039 O GLY A 81 -3.567 11.155 -1.284 1.00 0.00 O ATOM 0 H GLY A 81 -3.917 6.878 -0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.662 9.341 0.518 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.495 8.583 -0.546 1.00 0.00 H new ATOM 1043 N GLY A 82 -4.278 9.544 -2.678 1.00 0.00 N ATOM 1044 CA GLY A 82 -4.515 10.469 -3.769 1.00 0.00 C ATOM 1045 C GLY A 82 -3.310 10.582 -4.677 1.00 0.00 C ATOM 1046 O GLY A 82 -3.421 10.995 -5.829 1.00 0.00 O ATOM 0 H GLY A 82 -4.510 8.572 -2.883 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.377 10.137 -4.347 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.761 11.452 -3.366 1.00 0.00 H new ATOM 1050 N GLU A 83 -2.156 10.199 -4.149 1.00 0.00 N ATOM 1051 CA GLU A 83 -0.921 10.203 -4.916 1.00 0.00 C ATOM 1052 C GLU A 83 -0.929 9.065 -5.921 1.00 0.00 C ATOM 1053 O GLU A 83 -1.632 8.069 -5.732 1.00 0.00 O ATOM 1054 CB GLU A 83 0.285 10.042 -3.989 1.00 0.00 C ATOM 1055 CG GLU A 83 0.374 11.101 -2.908 1.00 0.00 C ATOM 1056 CD GLU A 83 0.458 12.505 -3.467 1.00 0.00 C ATOM 1057 OE1 GLU A 83 1.294 12.747 -4.364 1.00 0.00 O ATOM 1058 OE2 GLU A 83 -0.319 13.372 -3.017 1.00 0.00 O ATOM 0 H GLU A 83 -2.051 9.880 -3.186 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.847 11.156 -5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.241 9.060 -3.519 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.196 10.069 -4.586 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.498 11.025 -2.259 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.250 10.909 -2.289 1.00 0.00 H new ATOM 1065 N LYS A 84 -0.156 9.212 -6.982 1.00 0.00 N ATOM 1066 CA LYS A 84 0.016 8.138 -7.940 1.00 0.00 C ATOM 1067 C LYS A 84 1.226 7.307 -7.543 1.00 0.00 C ATOM 1068 O LYS A 84 2.365 7.761 -7.653 1.00 0.00 O ATOM 1069 CB LYS A 84 0.178 8.690 -9.354 1.00 0.00 C ATOM 1070 CG LYS A 84 -1.023 9.489 -9.830 1.00 0.00 C ATOM 1071 CD LYS A 84 -2.295 8.650 -9.912 1.00 0.00 C ATOM 1072 CE LYS A 84 -2.361 7.813 -11.179 1.00 0.00 C ATOM 1073 NZ LYS A 84 -1.524 6.585 -11.113 1.00 0.00 N ATOM 0 H LYS A 84 0.361 10.064 -7.201 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.873 7.507 -7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.064 9.324 -9.390 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.350 7.862 -10.042 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.188 10.327 -9.152 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.807 9.911 -10.812 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.350 7.993 -9.044 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.163 9.308 -9.869 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.397 7.530 -11.366 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.039 8.420 -12.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.033 5.794 -11.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.629 6.747 -11.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.323 6.355 -10.119 1.00 0.00 H new ATOM 1087 N PRO A 85 0.987 6.087 -7.050 1.00 0.00 N ATOM 1088 CA PRO A 85 2.046 5.206 -6.559 1.00 0.00 C ATOM 1089 C PRO A 85 2.991 4.769 -7.662 1.00 0.00 C ATOM 1090 O PRO A 85 2.565 4.399 -8.755 1.00 0.00 O ATOM 1091 CB PRO A 85 1.291 3.992 -6.004 1.00 0.00 C ATOM 1092 CG PRO A 85 -0.122 4.438 -5.860 1.00 0.00 C ATOM 1093 CD PRO A 85 -0.337 5.472 -6.921 1.00 0.00 C ATOM 0 HA PRO A 85 2.671 5.709 -5.821 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.367 3.140 -6.679 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.703 3.677 -5.045 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.810 3.602 -5.985 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.301 4.853 -4.868 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.669 5.026 -7.859 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.094 6.200 -6.629 1.00 0.00 H new ATOM 1101 N ASP A 86 4.282 4.819 -7.358 1.00 0.00 N ATOM 1102 CA ASP A 86 5.309 4.361 -8.280 1.00 0.00 C ATOM 1103 C ASP A 86 5.137 2.876 -8.544 1.00 0.00 C ATOM 1104 O ASP A 86 5.471 2.383 -9.620 1.00 0.00 O ATOM 1105 CB ASP A 86 6.706 4.628 -7.712 1.00 0.00 C ATOM 1106 CG ASP A 86 6.994 6.105 -7.535 1.00 0.00 C ATOM 1107 OD1 ASP A 86 6.644 6.659 -6.469 1.00 0.00 O ATOM 1108 OD2 ASP A 86 7.574 6.718 -8.457 1.00 0.00 O ATOM 0 H ASP A 86 4.643 5.175 -6.473 1.00 0.00 H new ATOM 0 HA ASP A 86 5.205 4.911 -9.215 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.805 4.125 -6.750 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.453 4.194 -8.377 1.00 0.00 H new ATOM 1113 N VAL A 87 4.618 2.173 -7.542 1.00 0.00 N ATOM 1114 CA VAL A 87 4.325 0.752 -7.655 1.00 0.00 C ATOM 1115 C VAL A 87 3.037 0.403 -6.909 1.00 0.00 C ATOM 1116 O VAL A 87 2.815 0.857 -5.784 1.00 0.00 O ATOM 1117 CB VAL A 87 5.481 -0.124 -7.113 1.00 0.00 C ATOM 1118 CG1 VAL A 87 6.630 -0.199 -8.098 1.00 0.00 C ATOM 1119 CG2 VAL A 87 5.985 0.390 -5.777 1.00 0.00 C ATOM 0 H VAL A 87 4.390 2.573 -6.632 1.00 0.00 H new ATOM 0 HA VAL A 87 4.203 0.540 -8.717 1.00 0.00 H new ATOM 0 HB VAL A 87 5.078 -1.127 -6.973 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.423 -0.822 -7.685 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.279 -0.633 -9.034 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.015 0.803 -8.284 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.796 -0.247 -5.424 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.350 1.410 -5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.172 0.376 -5.052 1.00 0.00 H new ATOM 1129 N THR A 88 2.184 -0.384 -7.548 1.00 0.00 N ATOM 1130 CA THR A 88 0.943 -0.838 -6.933 1.00 0.00 C ATOM 1131 C THR A 88 0.993 -2.347 -6.713 1.00 0.00 C ATOM 1132 O THR A 88 1.524 -3.076 -7.551 1.00 0.00 O ATOM 1133 CB THR A 88 -0.272 -0.499 -7.823 1.00 0.00 C ATOM 1134 OG1 THR A 88 -0.208 0.876 -8.235 1.00 0.00 O ATOM 1135 CG2 THR A 88 -1.584 -0.749 -7.088 1.00 0.00 C ATOM 0 H THR A 88 2.329 -0.724 -8.499 1.00 0.00 H new ATOM 0 HA THR A 88 0.834 -0.326 -5.977 1.00 0.00 H new ATOM 0 HB THR A 88 -0.239 -1.149 -8.698 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.981 1.084 -8.801 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.420 -0.501 -7.742 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.646 -1.799 -6.802 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.625 -0.126 -6.194 1.00 0.00 H new ATOM 1143 N PHE A 89 0.462 -2.806 -5.586 1.00 0.00 N ATOM 1144 CA PHE A 89 0.392 -4.233 -5.293 1.00 0.00 C ATOM 1145 C PHE A 89 -1.044 -4.616 -4.960 1.00 0.00 C ATOM 1146 O PHE A 89 -1.718 -3.911 -4.210 1.00 0.00 O ATOM 1147 CB PHE A 89 1.298 -4.610 -4.110 1.00 0.00 C ATOM 1148 CG PHE A 89 2.704 -4.087 -4.210 1.00 0.00 C ATOM 1149 CD1 PHE A 89 3.019 -2.819 -3.749 1.00 0.00 C ATOM 1150 CD2 PHE A 89 3.711 -4.865 -4.757 1.00 0.00 C ATOM 1151 CE1 PHE A 89 4.309 -2.335 -3.835 1.00 0.00 C ATOM 1152 CE2 PHE A 89 5.003 -4.386 -4.847 1.00 0.00 C ATOM 1153 CZ PHE A 89 5.303 -3.119 -4.386 1.00 0.00 C ATOM 0 H PHE A 89 0.072 -2.208 -4.857 1.00 0.00 H new ATOM 0 HA PHE A 89 0.734 -4.773 -6.176 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.849 -4.235 -3.191 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.333 -5.696 -4.027 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.246 -2.201 -3.317 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.483 -5.857 -5.117 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.540 -1.345 -3.472 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.779 -5.002 -5.278 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.313 -2.742 -4.456 1.00 0.00 H new ATOM 1163 N THR A 90 -1.516 -5.714 -5.531 1.00 0.00 N ATOM 1164 CA THR A 90 -2.851 -6.210 -5.226 1.00 0.00 C ATOM 1165 C THR A 90 -2.770 -7.521 -4.442 1.00 0.00 C ATOM 1166 O THR A 90 -2.221 -8.514 -4.924 1.00 0.00 O ATOM 1167 CB THR A 90 -3.674 -6.415 -6.508 1.00 0.00 C ATOM 1168 OG1 THR A 90 -3.547 -5.261 -7.350 1.00 0.00 O ATOM 1169 CG2 THR A 90 -5.143 -6.642 -6.176 1.00 0.00 C ATOM 0 H THR A 90 -0.998 -6.277 -6.205 1.00 0.00 H new ATOM 0 HA THR A 90 -3.352 -5.460 -4.614 1.00 0.00 H new ATOM 0 HB THR A 90 -3.294 -7.295 -7.027 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.071 -5.393 -8.168 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.707 -6.785 -7.098 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.242 -7.529 -5.550 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.534 -5.775 -5.642 1.00 0.00 H new ATOM 1177 N ILE A 91 -3.308 -7.495 -3.228 1.00 0.00 N ATOM 1178 CA ILE A 91 -3.243 -8.613 -2.295 1.00 0.00 C ATOM 1179 C ILE A 91 -4.574 -8.716 -1.551 1.00 0.00 C ATOM 1180 O ILE A 91 -5.320 -7.741 -1.481 1.00 0.00 O ATOM 1181 CB ILE A 91 -2.100 -8.372 -1.275 1.00 0.00 C ATOM 1182 CG1 ILE A 91 -0.740 -8.344 -1.980 1.00 0.00 C ATOM 1183 CG2 ILE A 91 -2.106 -9.427 -0.189 1.00 0.00 C ATOM 1184 CD1 ILE A 91 0.371 -7.750 -1.139 1.00 0.00 C ATOM 0 H ILE A 91 -3.808 -6.686 -2.860 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.050 -9.537 -2.840 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.271 -7.402 -0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.466 -9.361 -2.262 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.831 -7.771 -2.903 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.294 -9.233 0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.058 -9.398 0.341 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.971 -10.411 -0.637 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.303 -7.764 -1.705 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.120 -6.722 -0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.491 -8.336 -0.228 1.00 0.00 H new ATOM 1196 N SER A 92 -4.881 -9.891 -1.029 1.00 0.00 N ATOM 1197 CA SER A 92 -6.082 -10.082 -0.240 1.00 0.00 C ATOM 1198 C SER A 92 -5.808 -9.893 1.252 1.00 0.00 C ATOM 1199 O SER A 92 -4.721 -10.234 1.729 1.00 0.00 O ATOM 1200 CB SER A 92 -6.652 -11.473 -0.500 1.00 0.00 C ATOM 1201 OG SER A 92 -5.626 -12.452 -0.503 1.00 0.00 O ATOM 0 H SER A 92 -4.311 -10.730 -1.139 1.00 0.00 H new ATOM 0 HA SER A 92 -6.810 -9.328 -0.540 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.389 -11.716 0.265 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.172 -11.483 -1.458 1.00 0.00 H new ATOM 0 HG SER A 92 -5.990 -13.308 -0.193 1.00 0.00 H new ATOM 1207 N ASP A 93 -6.787 -9.335 1.964 1.00 0.00 N ATOM 1208 CA ASP A 93 -6.699 -9.092 3.414 1.00 0.00 C ATOM 1209 C ASP A 93 -6.050 -10.256 4.140 1.00 0.00 C ATOM 1210 O ASP A 93 -5.031 -10.119 4.822 1.00 0.00 O ATOM 1211 CB ASP A 93 -8.110 -8.917 3.980 1.00 0.00 C ATOM 1212 CG ASP A 93 -8.116 -8.704 5.483 1.00 0.00 C ATOM 1213 OD1 ASP A 93 -7.712 -7.615 5.937 1.00 0.00 O ATOM 1214 OD2 ASP A 93 -8.534 -9.628 6.215 1.00 0.00 O ATOM 0 H ASP A 93 -7.671 -9.035 1.553 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.093 -8.198 3.563 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.589 -8.066 3.495 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.705 -9.798 3.740 1.00 0.00 H new ATOM 1219 N GLU A 94 -6.657 -11.401 3.931 1.00 0.00 N ATOM 1220 CA GLU A 94 -6.344 -12.621 4.639 1.00 0.00 C ATOM 1221 C GLU A 94 -4.898 -13.062 4.437 1.00 0.00 C ATOM 1222 O GLU A 94 -4.285 -13.623 5.344 1.00 0.00 O ATOM 1223 CB GLU A 94 -7.312 -13.685 4.143 1.00 0.00 C ATOM 1224 CG GLU A 94 -8.762 -13.248 4.292 1.00 0.00 C ATOM 1225 CD GLU A 94 -9.331 -13.603 5.647 1.00 0.00 C ATOM 1226 OE1 GLU A 94 -8.826 -14.557 6.275 1.00 0.00 O ATOM 1227 OE2 GLU A 94 -10.273 -12.923 6.105 1.00 0.00 O ATOM 0 H GLU A 94 -7.403 -11.513 3.245 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.452 -12.458 5.711 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.105 -13.904 3.096 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.152 -14.609 4.699 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.832 -12.171 4.142 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.363 -13.718 3.513 1.00 0.00 H new ATOM 1234 N ASP A 95 -4.358 -12.809 3.253 1.00 0.00 N ATOM 1235 CA ASP A 95 -3.000 -13.237 2.926 1.00 0.00 C ATOM 1236 C ASP A 95 -1.967 -12.170 3.249 1.00 0.00 C ATOM 1237 O ASP A 95 -0.778 -12.472 3.364 1.00 0.00 O ATOM 1238 CB ASP A 95 -2.887 -13.618 1.455 1.00 0.00 C ATOM 1239 CG ASP A 95 -3.466 -14.983 1.153 1.00 0.00 C ATOM 1240 OD1 ASP A 95 -4.641 -15.228 1.480 1.00 0.00 O ATOM 1241 OD2 ASP A 95 -2.750 -15.808 0.546 1.00 0.00 O ATOM 0 H ASP A 95 -4.836 -12.311 2.502 1.00 0.00 H new ATOM 0 HA ASP A 95 -2.794 -14.110 3.546 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.400 -12.870 0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.838 -13.601 1.160 1.00 0.00 H new ATOM 1246 N VAL A 96 -2.410 -10.921 3.382 1.00 0.00 N ATOM 1247 CA VAL A 96 -1.496 -9.817 3.670 1.00 0.00 C ATOM 1248 C VAL A 96 -0.714 -10.106 4.947 1.00 0.00 C ATOM 1249 O VAL A 96 0.462 -9.768 5.064 1.00 0.00 O ATOM 1250 CB VAL A 96 -2.245 -8.460 3.810 1.00 0.00 C ATOM 1251 CG1 VAL A 96 -2.210 -7.943 5.243 1.00 0.00 C ATOM 1252 CG2 VAL A 96 -1.671 -7.413 2.864 1.00 0.00 C ATOM 0 H VAL A 96 -3.389 -10.649 3.296 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.810 -9.733 2.827 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.285 -8.643 3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.743 -6.994 5.301 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.687 -8.668 5.903 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.175 -7.797 5.552 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.215 -6.476 2.985 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.618 -7.253 3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.769 -7.759 1.835 1.00 0.00 H new ATOM 1262 N VAL A 97 -1.374 -10.777 5.881 1.00 0.00 N ATOM 1263 CA VAL A 97 -0.812 -11.011 7.197 1.00 0.00 C ATOM 1264 C VAL A 97 0.401 -11.928 7.118 1.00 0.00 C ATOM 1265 O VAL A 97 1.326 -11.824 7.923 1.00 0.00 O ATOM 1266 CB VAL A 97 -1.876 -11.599 8.156 1.00 0.00 C ATOM 1267 CG1 VAL A 97 -3.157 -10.787 8.067 1.00 0.00 C ATOM 1268 CG2 VAL A 97 -2.158 -13.065 7.853 1.00 0.00 C ATOM 0 H VAL A 97 -2.306 -11.170 5.747 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.486 -10.050 7.595 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.481 -11.543 9.171 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.901 -11.206 8.744 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.953 -9.754 8.347 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.537 -10.818 7.046 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.910 -13.442 8.547 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.526 -13.161 6.832 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.240 -13.642 7.964 1.00 0.00 H new ATOM 1278 N ASP A 98 0.413 -12.801 6.120 1.00 0.00 N ATOM 1279 CA ASP A 98 1.528 -13.700 5.923 1.00 0.00 C ATOM 1280 C ASP A 98 2.604 -12.996 5.125 1.00 0.00 C ATOM 1281 O ASP A 98 3.791 -13.188 5.361 1.00 0.00 O ATOM 1282 CB ASP A 98 1.102 -14.969 5.185 1.00 0.00 C ATOM 1283 CG ASP A 98 -0.068 -15.670 5.834 1.00 0.00 C ATOM 1284 OD1 ASP A 98 0.102 -16.232 6.934 1.00 0.00 O ATOM 1285 OD2 ASP A 98 -1.165 -15.669 5.241 1.00 0.00 O ATOM 0 H ASP A 98 -0.339 -12.901 5.438 1.00 0.00 H new ATOM 0 HA ASP A 98 1.908 -13.988 6.903 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.840 -14.714 4.158 1.00 0.00 H new ATOM 0 HB3 ASP A 98 1.948 -15.655 5.137 1.00 0.00 H new ATOM 1290 N LEU A 99 2.178 -12.157 4.194 1.00 0.00 N ATOM 1291 CA LEU A 99 3.105 -11.456 3.312 1.00 0.00 C ATOM 1292 C LEU A 99 3.917 -10.428 4.083 1.00 0.00 C ATOM 1293 O LEU A 99 5.125 -10.305 3.893 1.00 0.00 O ATOM 1294 CB LEU A 99 2.349 -10.780 2.166 1.00 0.00 C ATOM 1295 CG LEU A 99 1.805 -11.737 1.106 1.00 0.00 C ATOM 1296 CD1 LEU A 99 0.852 -11.018 0.171 1.00 0.00 C ATOM 1297 CD2 LEU A 99 2.944 -12.354 0.310 1.00 0.00 C ATOM 0 H LEU A 99 1.195 -11.943 4.027 1.00 0.00 H new ATOM 0 HA LEU A 99 3.792 -12.192 2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.518 -10.211 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.014 -10.064 1.683 1.00 0.00 H new ATOM 0 HG LEU A 99 1.260 -12.531 1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.477 -11.718 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.016 -10.615 0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.377 -10.203 -0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.538 -13.033 -0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.512 -11.565 -0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.600 -12.907 0.982 1.00 0.00 H new ATOM 1309 N ILE A 100 3.250 -9.708 4.970 1.00 0.00 N ATOM 1310 CA ILE A 100 3.900 -8.667 5.749 1.00 0.00 C ATOM 1311 C ILE A 100 4.745 -9.275 6.871 1.00 0.00 C ATOM 1312 O ILE A 100 5.692 -8.656 7.360 1.00 0.00 O ATOM 1313 CB ILE A 100 2.859 -7.683 6.328 1.00 0.00 C ATOM 1314 CG1 ILE A 100 1.954 -7.175 5.198 1.00 0.00 C ATOM 1315 CG2 ILE A 100 3.543 -6.524 7.044 1.00 0.00 C ATOM 1316 CD1 ILE A 100 1.015 -6.067 5.605 1.00 0.00 C ATOM 0 H ILE A 100 2.257 -9.826 5.169 1.00 0.00 H new ATOM 0 HA ILE A 100 4.562 -8.113 5.084 1.00 0.00 H new ATOM 0 HB ILE A 100 2.248 -8.205 7.064 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.580 -6.822 4.378 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.367 -8.010 4.815 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.788 -5.846 7.442 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.152 -6.910 7.862 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.179 -5.986 6.341 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.412 -5.767 4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.361 -6.419 6.403 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.592 -5.213 5.959 1.00 0.00 H new ATOM 1328 N SER A 101 4.416 -10.499 7.258 1.00 0.00 N ATOM 1329 CA SER A 101 5.164 -11.194 8.295 1.00 0.00 C ATOM 1330 C SER A 101 6.335 -11.974 7.690 1.00 0.00 C ATOM 1331 O SER A 101 7.293 -12.319 8.384 1.00 0.00 O ATOM 1332 CB SER A 101 4.236 -12.138 9.070 1.00 0.00 C ATOM 1333 OG SER A 101 4.917 -12.776 10.135 1.00 0.00 O ATOM 0 H SER A 101 3.637 -11.031 6.870 1.00 0.00 H new ATOM 0 HA SER A 101 5.570 -10.453 8.984 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.389 -11.576 9.463 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.832 -12.890 8.392 1.00 0.00 H new ATOM 0 HG SER A 101 4.298 -13.369 10.610 1.00 0.00 H new ATOM 1339 N GLY A 102 6.260 -12.240 6.391 1.00 0.00 N ATOM 1340 CA GLY A 102 7.290 -13.019 5.729 1.00 0.00 C ATOM 1341 C GLY A 102 6.929 -14.489 5.662 1.00 0.00 C ATOM 1342 O GLY A 102 7.688 -15.305 5.138 1.00 0.00 O ATOM 0 H GLY A 102 5.502 -11.929 5.783 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.443 -12.636 4.720 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.234 -12.901 6.261 1.00 0.00 H new ATOM 1346 N LYS A 103 5.763 -14.818 6.201 1.00 0.00 N ATOM 1347 CA LYS A 103 5.258 -16.184 6.209 1.00 0.00 C ATOM 1348 C LYS A 103 4.918 -16.641 4.802 1.00 0.00 C ATOM 1349 O LYS A 103 5.219 -17.769 4.411 1.00 0.00 O ATOM 1350 CB LYS A 103 4.005 -16.253 7.079 1.00 0.00 C ATOM 1351 CG LYS A 103 4.288 -16.145 8.569 1.00 0.00 C ATOM 1352 CD LYS A 103 3.026 -15.848 9.366 1.00 0.00 C ATOM 1353 CE LYS A 103 1.983 -16.943 9.216 1.00 0.00 C ATOM 1354 NZ LYS A 103 0.738 -16.628 9.967 1.00 0.00 N ATOM 0 H LYS A 103 5.140 -14.144 6.646 1.00 0.00 H new ATOM 0 HA LYS A 103 6.031 -16.839 6.611 1.00 0.00 H new ATOM 0 HB2 LYS A 103 3.327 -15.451 6.788 1.00 0.00 H new ATOM 0 HB3 LYS A 103 3.489 -17.193 6.883 1.00 0.00 H new ATOM 0 HG2 LYS A 103 4.730 -17.076 8.923 1.00 0.00 H new ATOM 0 HG3 LYS A 103 5.021 -15.357 8.743 1.00 0.00 H new ATOM 0 HD2 LYS A 103 3.282 -15.734 10.419 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.604 -14.899 9.036 1.00 0.00 H new ATOM 0 HE2 LYS A 103 1.746 -17.077 8.160 1.00 0.00 H new ATOM 0 HE3 LYS A 103 2.394 -17.887 9.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 0.051 -17.399 9.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 0.959 -16.525 10.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 0.332 -15.740 9.609 1.00 0.00 H new ATOM 1368 N LEU A 104 4.299 -15.755 4.045 1.00 0.00 N ATOM 1369 CA LEU A 104 3.947 -16.040 2.670 1.00 0.00 C ATOM 1370 C LEU A 104 4.901 -15.320 1.733 1.00 0.00 C ATOM 1371 O LEU A 104 5.106 -14.111 1.846 1.00 0.00 O ATOM 1372 CB LEU A 104 2.496 -15.630 2.407 1.00 0.00 C ATOM 1373 CG LEU A 104 2.027 -15.683 0.949 1.00 0.00 C ATOM 1374 CD1 LEU A 104 2.215 -17.071 0.360 1.00 0.00 C ATOM 1375 CD2 LEU A 104 0.567 -15.262 0.844 1.00 0.00 C ATOM 0 H LEU A 104 4.028 -14.825 4.364 1.00 0.00 H new ATOM 0 HA LEU A 104 4.034 -17.111 2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.846 -16.275 2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.356 -14.613 2.774 1.00 0.00 H new ATOM 0 HG LEU A 104 2.639 -14.986 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.873 -17.076 -0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.270 -17.341 0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.636 -17.792 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.250 -15.305 -0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.050 -15.936 1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.454 -14.243 1.216 1.00 0.00 H new ATOM 1387 N ASN A 105 5.501 -16.078 0.832 1.00 0.00 N ATOM 1388 CA ASN A 105 6.454 -15.531 -0.119 1.00 0.00 C ATOM 1389 C ASN A 105 5.721 -14.714 -1.172 1.00 0.00 C ATOM 1390 O ASN A 105 4.858 -15.241 -1.872 1.00 0.00 O ATOM 1391 CB ASN A 105 7.220 -16.661 -0.813 1.00 0.00 C ATOM 1392 CG ASN A 105 8.581 -16.228 -1.324 1.00 0.00 C ATOM 1393 OD1 ASN A 105 9.025 -16.676 -2.378 1.00 0.00 O ATOM 1394 ND2 ASN A 105 9.269 -15.390 -0.566 1.00 0.00 N ATOM 0 H ASN A 105 5.344 -17.081 0.739 1.00 0.00 H new ATOM 0 HA ASN A 105 7.156 -14.896 0.421 1.00 0.00 H new ATOM 0 HB2 ASN A 105 7.347 -17.489 -0.115 1.00 0.00 H new ATOM 0 HB3 ASN A 105 6.627 -17.035 -1.647 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.203 -15.094 -0.851 1.00 0.00 H new ATOM 0 HD22 ASN A 105 8.866 -15.040 0.303 1.00 0.00 H new ATOM 1401 N PRO A 106 6.051 -13.421 -1.312 1.00 0.00 N ATOM 1402 CA PRO A 106 5.446 -12.577 -2.336 1.00 0.00 C ATOM 1403 C PRO A 106 5.841 -13.047 -3.723 1.00 0.00 C ATOM 1404 O PRO A 106 5.174 -12.743 -4.705 1.00 0.00 O ATOM 1405 CB PRO A 106 5.981 -11.169 -2.067 1.00 0.00 C ATOM 1406 CG PRO A 106 6.789 -11.247 -0.813 1.00 0.00 C ATOM 1407 CD PRO A 106 7.035 -12.699 -0.496 1.00 0.00 C ATOM 0 HA PRO A 106 4.357 -12.611 -2.297 1.00 0.00 H new ATOM 0 HB2 PRO A 106 6.592 -10.822 -2.900 1.00 0.00 H new ATOM 0 HB3 PRO A 106 5.162 -10.459 -1.956 1.00 0.00 H new ATOM 0 HG2 PRO A 106 7.735 -10.720 -0.938 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.261 -10.763 0.009 1.00 0.00 H new ATOM 0 HD2 PRO A 106 8.054 -12.994 -0.748 1.00 0.00 H new ATOM 0 HD3 PRO A 106 6.897 -12.903 0.566 1.00 0.00 H new ATOM 1415 N GLN A 107 6.934 -13.794 -3.786 1.00 0.00 N ATOM 1416 CA GLN A 107 7.371 -14.419 -5.024 1.00 0.00 C ATOM 1417 C GLN A 107 6.427 -15.546 -5.422 1.00 0.00 C ATOM 1418 O GLN A 107 5.888 -15.556 -6.528 1.00 0.00 O ATOM 1419 CB GLN A 107 8.772 -14.969 -4.861 1.00 0.00 C ATOM 1420 CG GLN A 107 9.669 -14.657 -6.037 1.00 0.00 C ATOM 1421 CD GLN A 107 9.204 -15.306 -7.325 1.00 0.00 C ATOM 1422 OE1 GLN A 107 8.432 -14.723 -8.088 1.00 0.00 O ATOM 1423 NE2 GLN A 107 9.667 -16.516 -7.580 1.00 0.00 N ATOM 0 H GLN A 107 7.538 -13.982 -2.986 1.00 0.00 H new ATOM 0 HA GLN A 107 7.365 -13.662 -5.808 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.215 -14.557 -3.954 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.719 -16.050 -4.728 1.00 0.00 H new ATOM 0 HG2 GLN A 107 9.714 -13.577 -6.176 1.00 0.00 H new ATOM 0 HG3 GLN A 107 10.682 -14.992 -5.813 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.305 -16.967 -6.924 1.00 0.00 H new ATOM 0 HE22 GLN A 107 9.387 -17.000 -8.433 1.00 0.00 H new ATOM 1432 N LYS A 108 6.234 -16.503 -4.517 1.00 0.00 N ATOM 1433 CA LYS A 108 5.323 -17.611 -4.784 1.00 0.00 C ATOM 1434 C LYS A 108 3.913 -17.079 -4.983 1.00 0.00 C ATOM 1435 O LYS A 108 3.158 -17.593 -5.804 1.00 0.00 O ATOM 1436 CB LYS A 108 5.344 -18.671 -3.665 1.00 0.00 C ATOM 1437 CG LYS A 108 4.520 -18.323 -2.429 1.00 0.00 C ATOM 1438 CD LYS A 108 3.481 -19.395 -2.118 1.00 0.00 C ATOM 1439 CE LYS A 108 2.181 -19.179 -2.884 1.00 0.00 C ATOM 1440 NZ LYS A 108 1.194 -20.257 -2.611 1.00 0.00 N ATOM 0 H LYS A 108 6.690 -16.534 -3.605 1.00 0.00 H new ATOM 0 HA LYS A 108 5.662 -18.105 -5.695 1.00 0.00 H new ATOM 0 HB2 LYS A 108 4.979 -19.614 -4.072 1.00 0.00 H new ATOM 0 HB3 LYS A 108 6.378 -18.834 -3.360 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.183 -18.201 -1.573 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.020 -17.367 -2.583 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.888 -20.375 -2.366 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.274 -19.398 -1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 108 1.752 -18.215 -2.608 1.00 0.00 H new ATOM 0 HE3 LYS A 108 2.391 -19.140 -3.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.323 -20.075 -3.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 1.593 -21.174 -2.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.974 -20.277 -1.595 1.00 0.00 H new ATOM 1454 N ALA A 109 3.563 -16.036 -4.237 1.00 0.00 N ATOM 1455 CA ALA A 109 2.254 -15.418 -4.383 1.00 0.00 C ATOM 1456 C ALA A 109 2.148 -14.715 -5.730 1.00 0.00 C ATOM 1457 O ALA A 109 1.088 -14.709 -6.352 1.00 0.00 O ATOM 1458 CB ALA A 109 1.983 -14.448 -3.248 1.00 0.00 C ATOM 0 H ALA A 109 4.162 -15.606 -3.532 1.00 0.00 H new ATOM 0 HA ALA A 109 1.498 -16.202 -4.341 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.998 -13.999 -3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.014 -14.982 -2.298 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.742 -13.665 -3.249 1.00 0.00 H new ATOM 1464 N PHE A 110 3.258 -14.136 -6.173 1.00 0.00 N ATOM 1465 CA PHE A 110 3.338 -13.509 -7.488 1.00 0.00 C ATOM 1466 C PHE A 110 3.044 -14.548 -8.565 1.00 0.00 C ATOM 1467 O PHE A 110 2.217 -14.331 -9.451 1.00 0.00 O ATOM 1468 CB PHE A 110 4.742 -12.913 -7.695 1.00 0.00 C ATOM 1469 CG PHE A 110 4.936 -12.137 -8.972 1.00 0.00 C ATOM 1470 CD1 PHE A 110 5.126 -12.788 -10.182 1.00 0.00 C ATOM 1471 CD2 PHE A 110 4.949 -10.751 -8.958 1.00 0.00 C ATOM 1472 CE1 PHE A 110 5.319 -12.074 -11.349 1.00 0.00 C ATOM 1473 CE2 PHE A 110 5.146 -10.032 -10.122 1.00 0.00 C ATOM 1474 CZ PHE A 110 5.330 -10.694 -11.319 1.00 0.00 C ATOM 0 H PHE A 110 4.123 -14.088 -5.635 1.00 0.00 H new ATOM 0 HA PHE A 110 2.602 -12.708 -7.555 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.967 -12.257 -6.854 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.469 -13.724 -7.669 1.00 0.00 H new ATOM 0 HD1 PHE A 110 5.123 -13.868 -10.212 1.00 0.00 H new ATOM 0 HD2 PHE A 110 4.803 -10.226 -8.025 1.00 0.00 H new ATOM 0 HE1 PHE A 110 5.461 -12.595 -12.284 1.00 0.00 H new ATOM 0 HE2 PHE A 110 5.156 -8.952 -10.095 1.00 0.00 H new ATOM 0 HZ PHE A 110 5.482 -10.134 -12.230 1.00 0.00 H new ATOM 1484 N PHE A 111 3.717 -15.688 -8.455 1.00 0.00 N ATOM 1485 CA PHE A 111 3.561 -16.785 -9.403 1.00 0.00 C ATOM 1486 C PHE A 111 2.148 -17.360 -9.344 1.00 0.00 C ATOM 1487 O PHE A 111 1.599 -17.794 -10.356 1.00 0.00 O ATOM 1488 CB PHE A 111 4.584 -17.882 -9.097 1.00 0.00 C ATOM 1489 CG PHE A 111 4.615 -18.993 -10.110 1.00 0.00 C ATOM 1490 CD1 PHE A 111 5.201 -18.799 -11.349 1.00 0.00 C ATOM 1491 CD2 PHE A 111 4.060 -20.229 -9.820 1.00 0.00 C ATOM 1492 CE1 PHE A 111 5.234 -19.817 -12.283 1.00 0.00 C ATOM 1493 CE2 PHE A 111 4.090 -21.251 -10.749 1.00 0.00 C ATOM 1494 CZ PHE A 111 4.678 -21.045 -11.982 1.00 0.00 C ATOM 0 H PHE A 111 4.385 -15.878 -7.708 1.00 0.00 H new ATOM 0 HA PHE A 111 3.731 -16.399 -10.408 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.575 -17.433 -9.036 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.365 -18.305 -8.117 1.00 0.00 H new ATOM 0 HD1 PHE A 111 5.638 -17.841 -11.589 1.00 0.00 H new ATOM 0 HD2 PHE A 111 3.599 -20.395 -8.858 1.00 0.00 H new ATOM 0 HE1 PHE A 111 5.694 -19.653 -13.246 1.00 0.00 H new ATOM 0 HE2 PHE A 111 3.654 -22.210 -10.512 1.00 0.00 H new ATOM 0 HZ PHE A 111 4.703 -21.843 -12.709 1.00 0.00 H new ATOM 1504 N GLN A 112 1.564 -17.350 -8.156 1.00 0.00 N ATOM 1505 CA GLN A 112 0.237 -17.901 -7.948 1.00 0.00 C ATOM 1506 C GLN A 112 -0.857 -16.864 -8.219 1.00 0.00 C ATOM 1507 O GLN A 112 -2.025 -17.087 -7.904 1.00 0.00 O ATOM 1508 CB GLN A 112 0.133 -18.453 -6.523 1.00 0.00 C ATOM 1509 CG GLN A 112 0.879 -19.766 -6.318 1.00 0.00 C ATOM 1510 CD GLN A 112 0.102 -20.992 -6.784 1.00 0.00 C ATOM 1511 OE1 GLN A 112 -0.752 -20.833 -7.785 1.00 0.00 O flip ATOM 1512 NE2 GLN A 112 0.271 -22.085 -6.241 1.00 0.00 N flip ATOM 0 H GLN A 112 1.994 -16.963 -7.316 1.00 0.00 H new ATOM 0 HA GLN A 112 0.083 -18.713 -8.659 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.523 -17.711 -5.826 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.918 -18.600 -6.276 1.00 0.00 H new ATOM 0 HG2 GLN A 112 1.827 -19.722 -6.854 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.116 -19.878 -5.260 1.00 0.00 H new ATOM 0 HE21 GLN A 112 0.936 -22.175 -5.473 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -0.254 -22.899 -6.560 1.00 0.00 H new ATOM 1521 N GLY A 113 -0.468 -15.728 -8.794 1.00 0.00 N ATOM 1522 CA GLY A 113 -1.436 -14.739 -9.245 1.00 0.00 C ATOM 1523 C GLY A 113 -2.004 -13.887 -8.124 1.00 0.00 C ATOM 1524 O GLY A 113 -2.853 -13.028 -8.362 1.00 0.00 O ATOM 0 H GLY A 113 0.506 -15.473 -8.957 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -0.962 -14.088 -9.980 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.255 -15.250 -9.752 1.00 0.00 H new ATOM 1528 N LYS A 114 -1.536 -14.115 -6.909 1.00 0.00 N ATOM 1529 CA LYS A 114 -2.042 -13.412 -5.746 1.00 0.00 C ATOM 1530 C LYS A 114 -1.225 -12.180 -5.398 1.00 0.00 C ATOM 1531 O LYS A 114 -1.383 -11.609 -4.318 1.00 0.00 O ATOM 1532 CB LYS A 114 -2.080 -14.347 -4.558 1.00 0.00 C ATOM 1533 CG LYS A 114 -3.382 -15.109 -4.472 1.00 0.00 C ATOM 1534 CD LYS A 114 -3.842 -15.264 -3.035 1.00 0.00 C ATOM 1535 CE LYS A 114 -3.605 -13.990 -2.240 1.00 0.00 C ATOM 1536 NZ LYS A 114 -2.288 -14.025 -1.543 1.00 0.00 N ATOM 0 H LYS A 114 -0.799 -14.789 -6.703 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.047 -13.072 -5.994 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -1.252 -15.053 -4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.935 -13.774 -3.642 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.148 -14.588 -5.046 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -3.259 -16.093 -4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.902 -15.516 -3.015 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -3.309 -16.092 -2.567 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -3.643 -13.129 -2.908 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -4.403 -13.861 -1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -2.162 -13.150 -0.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -2.256 -14.843 -0.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -1.525 -14.107 -2.246 1.00 0.00 H new ATOM 1550 N ILE A 115 -0.347 -11.790 -6.294 1.00 0.00 N ATOM 1551 CA ILE A 115 0.375 -10.546 -6.150 1.00 0.00 C ATOM 1552 C ILE A 115 0.504 -9.883 -7.511 1.00 0.00 C ATOM 1553 O ILE A 115 1.172 -10.382 -8.420 1.00 0.00 O ATOM 1554 CB ILE A 115 1.745 -10.752 -5.439 1.00 0.00 C ATOM 1555 CG1 ILE A 115 1.680 -10.189 -4.028 1.00 0.00 C ATOM 1556 CG2 ILE A 115 2.885 -10.069 -6.164 1.00 0.00 C ATOM 1557 CD1 ILE A 115 2.689 -10.794 -3.091 1.00 0.00 C ATOM 0 H ILE A 115 -0.115 -12.319 -7.134 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.186 -9.875 -5.500 1.00 0.00 H new ATOM 0 HB ILE A 115 1.936 -11.825 -5.430 1.00 0.00 H new ATOM 0 HG12 ILE A 115 1.835 -9.111 -4.069 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.680 -10.352 -3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.816 -10.245 -5.625 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.968 -10.472 -7.173 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.693 -8.997 -6.216 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.584 -10.345 -2.104 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.521 -11.869 -3.020 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.694 -10.608 -3.469 1.00 0.00 H new ATOM 1569 N LYS A 116 -0.222 -8.793 -7.665 1.00 0.00 N ATOM 1570 CA LYS A 116 -0.194 -8.025 -8.892 1.00 0.00 C ATOM 1571 C LYS A 116 0.525 -6.713 -8.645 1.00 0.00 C ATOM 1572 O LYS A 116 -0.054 -5.770 -8.109 1.00 0.00 O ATOM 1573 CB LYS A 116 -1.618 -7.754 -9.390 1.00 0.00 C ATOM 1574 CG LYS A 116 -2.464 -9.008 -9.561 1.00 0.00 C ATOM 1575 CD LYS A 116 -1.957 -9.883 -10.696 1.00 0.00 C ATOM 1576 CE LYS A 116 -2.171 -9.227 -12.053 1.00 0.00 C ATOM 1577 NZ LYS A 116 -1.798 -10.128 -13.175 1.00 0.00 N ATOM 0 H LYS A 116 -0.843 -8.418 -6.948 1.00 0.00 H new ATOM 0 HA LYS A 116 0.335 -8.595 -9.656 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -2.116 -7.085 -8.688 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -1.564 -7.231 -10.345 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.459 -9.579 -8.632 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -3.498 -8.724 -9.755 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.895 -10.085 -10.553 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -2.471 -10.844 -10.672 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -3.217 -8.937 -12.154 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -1.580 -8.313 -12.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -1.960 -9.641 -14.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -0.793 -10.385 -13.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -2.380 -10.989 -13.137 1.00 0.00 H new ATOM 1591 N ILE A 117 1.792 -6.671 -9.009 1.00 0.00 N ATOM 1592 CA ILE A 117 2.588 -5.472 -8.858 1.00 0.00 C ATOM 1593 C ILE A 117 2.981 -4.936 -10.229 1.00 0.00 C ATOM 1594 O ILE A 117 3.541 -5.654 -11.057 1.00 0.00 O ATOM 1595 CB ILE A 117 3.824 -5.725 -7.947 1.00 0.00 C ATOM 1596 CG1 ILE A 117 5.084 -5.007 -8.440 1.00 0.00 C ATOM 1597 CG2 ILE A 117 4.089 -7.212 -7.777 1.00 0.00 C ATOM 1598 CD1 ILE A 117 5.076 -3.512 -8.207 1.00 0.00 C ATOM 0 H ILE A 117 2.294 -7.461 -9.414 1.00 0.00 H new ATOM 0 HA ILE A 117 1.989 -4.710 -8.359 1.00 0.00 H new ATOM 0 HB ILE A 117 3.576 -5.301 -6.974 1.00 0.00 H new ATOM 0 HG12 ILE A 117 5.953 -5.437 -7.941 1.00 0.00 H new ATOM 0 HG13 ILE A 117 5.203 -5.197 -9.507 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.958 -7.356 -7.136 1.00 0.00 H new ATOM 0 HG22 ILE A 117 3.220 -7.687 -7.322 1.00 0.00 H new ATOM 0 HG23 ILE A 117 4.279 -7.661 -8.752 1.00 0.00 H new ATOM 0 HD11 ILE A 117 6.003 -3.080 -8.584 1.00 0.00 H new ATOM 0 HD12 ILE A 117 4.229 -3.067 -8.729 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.990 -3.311 -7.139 1.00 0.00 H new ATOM 1610 N GLN A 118 2.651 -3.677 -10.462 1.00 0.00 N ATOM 1611 CA GLN A 118 2.840 -3.047 -11.757 1.00 0.00 C ATOM 1612 C GLN A 118 3.368 -1.644 -11.534 1.00 0.00 C ATOM 1613 O GLN A 118 2.599 -0.700 -11.347 1.00 0.00 O ATOM 1614 CB GLN A 118 1.517 -3.001 -12.529 1.00 0.00 C ATOM 1615 CG GLN A 118 0.822 -4.352 -12.639 1.00 0.00 C ATOM 1616 CD GLN A 118 -0.504 -4.283 -13.372 1.00 0.00 C ATOM 1617 OE1 GLN A 118 -1.189 -3.260 -13.355 1.00 0.00 O ATOM 1618 NE2 GLN A 118 -0.883 -5.378 -14.007 1.00 0.00 N ATOM 0 H GLN A 118 2.244 -3.062 -9.757 1.00 0.00 H new ATOM 0 HA GLN A 118 3.552 -3.623 -12.348 1.00 0.00 H new ATOM 0 HB2 GLN A 118 0.845 -2.296 -12.039 1.00 0.00 H new ATOM 0 HB3 GLN A 118 1.705 -2.617 -13.532 1.00 0.00 H new ATOM 0 HG2 GLN A 118 1.480 -5.051 -13.156 1.00 0.00 H new ATOM 0 HG3 GLN A 118 0.656 -4.751 -11.638 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -0.287 -6.205 -13.997 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -1.772 -5.396 -14.507 1.00 0.00 H new ATOM 1627 N GLY A 119 4.676 -1.516 -11.512 1.00 0.00 N ATOM 1628 CA GLY A 119 5.279 -0.274 -11.110 1.00 0.00 C ATOM 1629 C GLY A 119 6.709 -0.136 -11.562 1.00 0.00 C ATOM 1630 O GLY A 119 7.291 -1.079 -12.102 1.00 0.00 O ATOM 0 H GLY A 119 5.334 -2.252 -11.766 1.00 0.00 H new ATOM 0 HA2 GLY A 119 4.695 0.553 -11.514 1.00 0.00 H new ATOM 0 HA3 GLY A 119 5.238 -0.192 -10.024 1.00 0.00 H new ATOM 1634 N ASN A 120 7.257 1.054 -11.343 1.00 0.00 N ATOM 1635 CA ASN A 120 8.624 1.389 -11.733 1.00 0.00 C ATOM 1636 C ASN A 120 9.594 0.306 -11.266 1.00 0.00 C ATOM 1637 O ASN A 120 9.837 0.139 -10.067 1.00 0.00 O ATOM 1638 CB ASN A 120 9.011 2.745 -11.124 1.00 0.00 C ATOM 1639 CG ASN A 120 10.331 3.292 -11.648 1.00 0.00 C ATOM 1640 OD1 ASN A 120 11.246 2.546 -11.994 1.00 0.00 O ATOM 1641 ND2 ASN A 120 10.435 4.610 -11.706 1.00 0.00 N ATOM 0 H ASN A 120 6.762 1.820 -10.886 1.00 0.00 H new ATOM 0 HA ASN A 120 8.679 1.452 -12.820 1.00 0.00 H new ATOM 0 HB2 ASN A 120 8.220 3.466 -11.331 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.074 2.643 -10.041 1.00 0.00 H new ATOM 0 HD21 ASN A 120 11.295 5.039 -12.046 1.00 0.00 H new ATOM 0 HD22 ASN A 120 9.655 5.197 -11.410 1.00 0.00 H new ATOM 1648 N MET A 121 10.137 -0.427 -12.231 1.00 0.00 N ATOM 1649 CA MET A 121 11.006 -1.560 -11.957 1.00 0.00 C ATOM 1650 C MET A 121 12.278 -1.112 -11.246 1.00 0.00 C ATOM 1651 O MET A 121 12.794 -1.819 -10.385 1.00 0.00 O ATOM 1652 CB MET A 121 11.331 -2.280 -13.274 1.00 0.00 C ATOM 1653 CG MET A 121 12.122 -3.572 -13.117 1.00 0.00 C ATOM 1654 SD MET A 121 13.898 -3.306 -12.941 1.00 0.00 S ATOM 1655 CE MET A 121 14.483 -4.994 -12.822 1.00 0.00 C ATOM 0 H MET A 121 9.986 -0.251 -13.224 1.00 0.00 H new ATOM 0 HA MET A 121 10.492 -2.253 -11.292 1.00 0.00 H new ATOM 0 HB2 MET A 121 10.397 -2.503 -13.790 1.00 0.00 H new ATOM 0 HB3 MET A 121 11.895 -1.601 -13.914 1.00 0.00 H new ATOM 0 HG2 MET A 121 11.754 -4.111 -12.244 1.00 0.00 H new ATOM 0 HG3 MET A 121 11.941 -4.208 -13.984 1.00 0.00 H new ATOM 0 HE1 MET A 121 15.567 -4.996 -12.709 1.00 0.00 H new ATOM 0 HE2 MET A 121 14.027 -5.477 -11.958 1.00 0.00 H new ATOM 0 HE3 MET A 121 14.212 -5.538 -13.727 1.00 0.00 H new ATOM 1665 N GLY A 122 12.747 0.088 -11.566 1.00 0.00 N ATOM 1666 CA GLY A 122 13.979 0.580 -10.983 1.00 0.00 C ATOM 1667 C GLY A 122 13.798 0.937 -9.527 1.00 0.00 C ATOM 1668 O GLY A 122 14.759 0.999 -8.760 1.00 0.00 O ATOM 0 H GLY A 122 12.296 0.729 -12.219 1.00 0.00 H new ATOM 0 HA2 GLY A 122 14.756 -0.178 -11.079 1.00 0.00 H new ATOM 0 HA3 GLY A 122 14.319 1.457 -11.534 1.00 0.00 H new ATOM 1672 N LEU A 123 12.555 1.159 -9.146 1.00 0.00 N ATOM 1673 CA LEU A 123 12.221 1.501 -7.780 1.00 0.00 C ATOM 1674 C LEU A 123 11.936 0.232 -6.983 1.00 0.00 C ATOM 1675 O LEU A 123 12.465 0.039 -5.890 1.00 0.00 O ATOM 1676 CB LEU A 123 11.010 2.434 -7.782 1.00 0.00 C ATOM 1677 CG LEU A 123 10.739 3.171 -6.468 1.00 0.00 C ATOM 1678 CD1 LEU A 123 10.205 4.564 -6.749 1.00 0.00 C ATOM 1679 CD2 LEU A 123 9.747 2.392 -5.615 1.00 0.00 C ATOM 0 H LEU A 123 11.752 1.107 -9.773 1.00 0.00 H new ATOM 0 HA LEU A 123 13.059 2.014 -7.307 1.00 0.00 H new ATOM 0 HB2 LEU A 123 11.145 3.174 -8.571 1.00 0.00 H new ATOM 0 HB3 LEU A 123 10.126 1.851 -8.040 1.00 0.00 H new ATOM 0 HG LEU A 123 11.677 3.257 -5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 123 10.016 5.078 -5.807 1.00 0.00 H new ATOM 0 HD12 LEU A 123 10.939 5.125 -7.328 1.00 0.00 H new ATOM 0 HD13 LEU A 123 9.276 4.490 -7.315 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.566 2.930 -4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.809 2.281 -6.158 1.00 0.00 H new ATOM 0 HD23 LEU A 123 10.155 1.407 -5.390 1.00 0.00 H new ATOM 1691 N ALA A 124 11.132 -0.651 -7.563 1.00 0.00 N ATOM 1692 CA ALA A 124 10.733 -1.880 -6.889 1.00 0.00 C ATOM 1693 C ALA A 124 11.880 -2.880 -6.822 1.00 0.00 C ATOM 1694 O ALA A 124 11.839 -3.826 -6.037 1.00 0.00 O ATOM 1695 CB ALA A 124 9.535 -2.509 -7.578 1.00 0.00 C ATOM 0 H ALA A 124 10.743 -0.538 -8.499 1.00 0.00 H new ATOM 0 HA ALA A 124 10.455 -1.614 -5.869 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.255 -3.425 -7.057 1.00 0.00 H new ATOM 0 HB2 ALA A 124 8.698 -1.811 -7.561 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.791 -2.743 -8.611 1.00 0.00 H new ATOM 1701 N MET A 125 12.906 -2.685 -7.647 1.00 0.00 N ATOM 1702 CA MET A 125 14.051 -3.585 -7.630 1.00 0.00 C ATOM 1703 C MET A 125 14.833 -3.434 -6.331 1.00 0.00 C ATOM 1704 O MET A 125 15.556 -4.340 -5.926 1.00 0.00 O ATOM 1705 CB MET A 125 14.961 -3.376 -8.835 1.00 0.00 C ATOM 1706 CG MET A 125 15.746 -2.101 -8.768 1.00 0.00 C ATOM 1707 SD MET A 125 16.773 -1.841 -10.229 1.00 0.00 S ATOM 1708 CE MET A 125 17.624 -0.329 -9.790 1.00 0.00 C ATOM 0 H MET A 125 12.967 -1.925 -8.324 1.00 0.00 H new ATOM 0 HA MET A 125 13.665 -4.603 -7.690 1.00 0.00 H new ATOM 0 HB2 MET A 125 15.651 -4.216 -8.911 1.00 0.00 H new ATOM 0 HB3 MET A 125 14.357 -3.376 -9.742 1.00 0.00 H new ATOM 0 HG2 MET A 125 15.060 -1.262 -8.657 1.00 0.00 H new ATOM 0 HG3 MET A 125 16.379 -2.115 -7.881 1.00 0.00 H new ATOM 0 HE1 MET A 125 18.533 -0.238 -10.384 1.00 0.00 H new ATOM 0 HE2 MET A 125 16.975 0.524 -9.987 1.00 0.00 H new ATOM 0 HE3 MET A 125 17.883 -0.351 -8.731 1.00 0.00 H new ATOM 1718 N LYS A 126 14.663 -2.296 -5.660 1.00 0.00 N ATOM 1719 CA LYS A 126 15.285 -2.092 -4.357 1.00 0.00 C ATOM 1720 C LYS A 126 14.645 -2.989 -3.308 1.00 0.00 C ATOM 1721 O LYS A 126 15.272 -3.341 -2.312 1.00 0.00 O ATOM 1722 CB LYS A 126 15.174 -0.636 -3.925 1.00 0.00 C ATOM 1723 CG LYS A 126 16.073 0.296 -4.705 1.00 0.00 C ATOM 1724 CD LYS A 126 16.915 1.126 -3.759 1.00 0.00 C ATOM 1725 CE LYS A 126 17.798 2.118 -4.497 1.00 0.00 C ATOM 1726 NZ LYS A 126 17.013 3.240 -5.074 1.00 0.00 N ATOM 0 H LYS A 126 14.106 -1.510 -5.994 1.00 0.00 H new ATOM 0 HA LYS A 126 16.340 -2.352 -4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 126 14.140 -0.310 -4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 126 15.418 -0.560 -2.865 1.00 0.00 H new ATOM 0 HG2 LYS A 126 16.719 -0.280 -5.368 1.00 0.00 H new ATOM 0 HG3 LYS A 126 15.471 0.950 -5.336 1.00 0.00 H new ATOM 0 HD2 LYS A 126 16.262 1.664 -3.072 1.00 0.00 H new ATOM 0 HD3 LYS A 126 17.538 0.466 -3.156 1.00 0.00 H new ATOM 0 HE2 LYS A 126 18.548 2.515 -3.813 1.00 0.00 H new ATOM 0 HE3 LYS A 126 18.334 1.603 -5.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 17.653 3.893 -5.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 16.314 2.865 -5.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 16.521 3.748 -4.311 1.00 0.00 H new ATOM 1740 N LEU A 127 13.400 -3.375 -3.551 1.00 0.00 N ATOM 1741 CA LEU A 127 12.671 -4.233 -2.629 1.00 0.00 C ATOM 1742 C LEU A 127 13.272 -5.635 -2.616 1.00 0.00 C ATOM 1743 O LEU A 127 13.139 -6.371 -1.639 1.00 0.00 O ATOM 1744 CB LEU A 127 11.190 -4.297 -3.018 1.00 0.00 C ATOM 1745 CG LEU A 127 10.466 -2.949 -3.061 1.00 0.00 C ATOM 1746 CD1 LEU A 127 9.021 -3.136 -3.493 1.00 0.00 C ATOM 1747 CD2 LEU A 127 10.528 -2.258 -1.707 1.00 0.00 C ATOM 0 H LEU A 127 12.873 -3.106 -4.382 1.00 0.00 H new ATOM 0 HA LEU A 127 12.752 -3.810 -1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 127 11.109 -4.766 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 127 10.673 -4.946 -2.311 1.00 0.00 H new ATOM 0 HG LEU A 127 10.970 -2.316 -3.791 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.521 -2.168 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 127 8.993 -3.585 -4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 127 8.511 -3.789 -2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 127 10.007 -1.302 -1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 127 10.052 -2.888 -0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 127 11.569 -2.088 -1.432 1.00 0.00 H new ATOM 1759 N THR A 128 13.952 -5.992 -3.700 1.00 0.00 N ATOM 1760 CA THR A 128 14.547 -7.314 -3.823 1.00 0.00 C ATOM 1761 C THR A 128 15.889 -7.369 -3.107 1.00 0.00 C ATOM 1762 O THR A 128 16.362 -8.439 -2.719 1.00 0.00 O ATOM 1763 CB THR A 128 14.763 -7.708 -5.297 1.00 0.00 C ATOM 1764 OG1 THR A 128 15.827 -6.935 -5.874 1.00 0.00 O ATOM 1765 CG2 THR A 128 13.493 -7.499 -6.104 1.00 0.00 C ATOM 0 H THR A 128 14.104 -5.384 -4.505 1.00 0.00 H new ATOM 0 HA THR A 128 13.849 -8.016 -3.366 1.00 0.00 H new ATOM 0 HB THR A 128 15.030 -8.764 -5.324 1.00 0.00 H new ATOM 0 HG1 THR A 128 15.767 -6.009 -5.559 1.00 0.00 H new ATOM 0 HG21 THR A 128 13.670 -7.784 -7.141 1.00 0.00 H new ATOM 0 HG22 THR A 128 12.694 -8.114 -5.690 1.00 0.00 H new ATOM 0 HG23 THR A 128 13.203 -6.449 -6.061 1.00 0.00 H new ATOM 1773 N ASP A 129 16.492 -6.203 -2.935 1.00 0.00 N ATOM 1774 CA ASP A 129 17.813 -6.098 -2.324 1.00 0.00 C ATOM 1775 C ASP A 129 17.846 -6.763 -0.958 1.00 0.00 C ATOM 1776 O ASP A 129 18.786 -7.485 -0.628 1.00 0.00 O ATOM 1777 CB ASP A 129 18.236 -4.642 -2.182 1.00 0.00 C ATOM 1778 CG ASP A 129 19.625 -4.522 -1.591 1.00 0.00 C ATOM 1779 OD1 ASP A 129 20.611 -4.727 -2.329 1.00 0.00 O ATOM 1780 OD2 ASP A 129 19.739 -4.244 -0.385 1.00 0.00 O ATOM 0 H ASP A 129 16.086 -5.309 -3.211 1.00 0.00 H new ATOM 0 HA ASP A 129 18.511 -6.612 -2.985 1.00 0.00 H new ATOM 0 HB2 ASP A 129 18.212 -4.158 -3.159 1.00 0.00 H new ATOM 0 HB3 ASP A 129 17.523 -4.115 -1.548 1.00 0.00 H new ATOM 1785 N LEU A 130 16.796 -6.534 -0.187 1.00 0.00 N ATOM 1786 CA LEU A 130 16.702 -7.041 1.179 1.00 0.00 C ATOM 1787 C LEU A 130 16.900 -8.558 1.250 1.00 0.00 C ATOM 1788 O LEU A 130 17.488 -9.065 2.206 1.00 0.00 O ATOM 1789 CB LEU A 130 15.352 -6.670 1.807 1.00 0.00 C ATOM 1790 CG LEU A 130 15.142 -5.183 2.137 1.00 0.00 C ATOM 1791 CD1 LEU A 130 16.322 -4.630 2.921 1.00 0.00 C ATOM 1792 CD2 LEU A 130 14.897 -4.363 0.879 1.00 0.00 C ATOM 0 H LEU A 130 15.985 -5.993 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 130 17.507 -6.570 1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 130 14.560 -6.985 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 130 15.232 -7.245 2.725 1.00 0.00 H new ATOM 0 HG LEU A 130 14.251 -5.106 2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 130 16.150 -3.577 3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 130 16.431 -5.184 3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 130 17.232 -4.733 2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 130 14.753 -3.317 1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 130 15.756 -4.451 0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 130 14.006 -4.733 0.371 1.00 0.00 H new ATOM 1804 N GLN A 131 16.417 -9.281 0.246 1.00 0.00 N ATOM 1805 CA GLN A 131 16.510 -10.737 0.258 1.00 0.00 C ATOM 1806 C GLN A 131 17.789 -11.233 -0.419 1.00 0.00 C ATOM 1807 O GLN A 131 18.335 -12.267 -0.033 1.00 0.00 O ATOM 1808 CB GLN A 131 15.275 -11.367 -0.387 1.00 0.00 C ATOM 1809 CG GLN A 131 15.055 -10.965 -1.835 1.00 0.00 C ATOM 1810 CD GLN A 131 13.751 -11.486 -2.395 1.00 0.00 C ATOM 1811 OE1 GLN A 131 12.727 -10.812 -2.334 1.00 0.00 O ATOM 1812 NE2 GLN A 131 13.774 -12.693 -2.938 1.00 0.00 N ATOM 0 H GLN A 131 15.962 -8.889 -0.578 1.00 0.00 H new ATOM 0 HA GLN A 131 16.552 -11.050 1.301 1.00 0.00 H new ATOM 0 HB2 GLN A 131 15.364 -12.452 -0.332 1.00 0.00 H new ATOM 0 HB3 GLN A 131 14.395 -11.090 0.193 1.00 0.00 H new ATOM 0 HG2 GLN A 131 15.070 -9.878 -1.912 1.00 0.00 H new ATOM 0 HG3 GLN A 131 15.881 -11.339 -2.441 1.00 0.00 H new ATOM 0 HE21 GLN A 131 14.646 -13.222 -2.969 1.00 0.00 H new ATOM 0 HE22 GLN A 131 12.920 -13.094 -3.325 1.00 0.00 H new ATOM 1821 N ARG A 132 18.279 -10.500 -1.412 1.00 0.00 N ATOM 1822 CA ARG A 132 19.500 -10.902 -2.110 1.00 0.00 C ATOM 1823 C ARG A 132 20.718 -10.705 -1.219 1.00 0.00 C ATOM 1824 O ARG A 132 21.647 -11.513 -1.232 1.00 0.00 O ATOM 1825 CB ARG A 132 19.639 -10.158 -3.447 1.00 0.00 C ATOM 1826 CG ARG A 132 19.584 -8.651 -3.353 1.00 0.00 C ATOM 1827 CD ARG A 132 20.934 -8.015 -3.057 1.00 0.00 C ATOM 1828 NE ARG A 132 21.816 -8.038 -4.220 1.00 0.00 N ATOM 1829 CZ ARG A 132 22.442 -6.963 -4.701 1.00 0.00 C ATOM 1830 NH1 ARG A 132 22.278 -5.775 -4.133 1.00 0.00 N ATOM 1831 NH2 ARG A 132 23.225 -7.076 -5.762 1.00 0.00 N ATOM 0 H ARG A 132 17.858 -9.635 -1.751 1.00 0.00 H new ATOM 0 HA ARG A 132 19.433 -11.965 -2.340 1.00 0.00 H new ATOM 0 HB2 ARG A 132 20.585 -10.443 -3.907 1.00 0.00 H new ATOM 0 HB3 ARG A 132 18.846 -10.494 -4.115 1.00 0.00 H new ATOM 0 HG2 ARG A 132 19.199 -8.250 -4.290 1.00 0.00 H new ATOM 0 HG3 ARG A 132 18.878 -8.368 -2.572 1.00 0.00 H new ATOM 0 HD2 ARG A 132 20.786 -6.984 -2.734 1.00 0.00 H new ATOM 0 HD3 ARG A 132 21.410 -8.543 -2.230 1.00 0.00 H new ATOM 0 HE ARG A 132 21.962 -8.930 -4.693 1.00 0.00 H new ATOM 0 HH11 ARG A 132 21.669 -5.678 -3.321 1.00 0.00 H new ATOM 0 HH12 ARG A 132 22.761 -4.959 -4.509 1.00 0.00 H new ATOM 0 HH21 ARG A 132 23.349 -7.984 -6.210 1.00 0.00 H new ATOM 0 HH22 ARG A 132 23.705 -6.255 -6.132 1.00 0.00 H new ATOM 1845 N GLN A 133 20.696 -9.641 -0.424 1.00 0.00 N ATOM 1846 CA GLN A 133 21.760 -9.409 0.549 1.00 0.00 C ATOM 1847 C GLN A 133 21.623 -10.383 1.712 1.00 0.00 C ATOM 1848 O GLN A 133 22.605 -10.726 2.366 1.00 0.00 O ATOM 1849 CB GLN A 133 21.763 -7.967 1.069 1.00 0.00 C ATOM 1850 CG GLN A 133 20.516 -7.583 1.839 1.00 0.00 C ATOM 1851 CD GLN A 133 20.691 -6.303 2.636 1.00 0.00 C ATOM 1852 OE1 GLN A 133 21.077 -6.337 3.804 1.00 0.00 O ATOM 1853 NE2 GLN A 133 20.423 -5.166 2.020 1.00 0.00 N ATOM 0 H GLN A 133 19.963 -8.932 -0.432 1.00 0.00 H new ATOM 0 HA GLN A 133 22.710 -9.575 0.041 1.00 0.00 H new ATOM 0 HB2 GLN A 133 22.632 -7.826 1.712 1.00 0.00 H new ATOM 0 HB3 GLN A 133 21.879 -7.288 0.224 1.00 0.00 H new ATOM 0 HG2 GLN A 133 19.687 -7.462 1.142 1.00 0.00 H new ATOM 0 HG3 GLN A 133 20.248 -8.394 2.516 1.00 0.00 H new ATOM 0 HE21 GLN A 133 20.105 -5.174 1.051 1.00 0.00 H new ATOM 0 HE22 GLN A 133 20.534 -4.280 2.513 1.00 0.00 H new ATOM 1862 N ALA A 134 20.395 -10.831 1.958 1.00 0.00 N ATOM 1863 CA ALA A 134 20.139 -11.823 2.992 1.00 0.00 C ATOM 1864 C ALA A 134 20.771 -13.153 2.608 1.00 0.00 C ATOM 1865 O ALA A 134 21.336 -13.854 3.451 1.00 0.00 O ATOM 1866 CB ALA A 134 18.642 -11.984 3.214 1.00 0.00 C ATOM 0 H ALA A 134 19.564 -10.522 1.455 1.00 0.00 H new ATOM 0 HA ALA A 134 20.587 -11.482 3.925 1.00 0.00 H new ATOM 0 HB1 ALA A 134 18.467 -12.729 3.990 1.00 0.00 H new ATOM 0 HB2 ALA A 134 18.216 -11.030 3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 134 18.169 -12.308 2.287 1.00 0.00 H new ATOM 1872 N ALA A 135 20.676 -13.492 1.326 1.00 0.00 N ATOM 1873 CA ALA A 135 21.300 -14.698 0.805 1.00 0.00 C ATOM 1874 C ALA A 135 22.818 -14.557 0.821 1.00 0.00 C ATOM 1875 O ALA A 135 23.523 -15.381 1.406 1.00 0.00 O ATOM 1876 CB ALA A 135 20.802 -14.990 -0.604 1.00 0.00 C ATOM 0 H ALA A 135 20.171 -12.945 0.629 1.00 0.00 H new ATOM 0 HA ALA A 135 21.025 -15.537 1.445 1.00 0.00 H new ATOM 0 HB1 ALA A 135 21.279 -15.896 -0.978 1.00 0.00 H new ATOM 0 HB2 ALA A 135 19.721 -15.130 -0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 135 21.049 -14.153 -1.258 1.00 0.00 H new ATOM 1882 N GLY A 136 23.315 -13.500 0.186 1.00 0.00 N ATOM 1883 CA GLY A 136 24.738 -13.213 0.223 1.00 0.00 C ATOM 1884 C GLY A 136 25.433 -13.467 -1.100 1.00 0.00 C ATOM 1885 O GLY A 136 26.581 -13.058 -1.286 1.00 0.00 O ATOM 0 H GLY A 136 22.758 -12.837 -0.353 1.00 0.00 H new ATOM 0 HA2 GLY A 136 24.885 -12.171 0.509 1.00 0.00 H new ATOM 0 HA3 GLY A 136 25.205 -13.824 0.995 1.00 0.00 H new ATOM 1889 N ARG A 137 24.732 -14.134 -2.017 1.00 0.00 N ATOM 1890 CA ARG A 137 25.283 -14.504 -3.322 1.00 0.00 C ATOM 1891 C ARG A 137 26.491 -15.429 -3.163 1.00 0.00 C ATOM 1892 O ARG A 137 27.632 -14.974 -3.048 1.00 0.00 O ATOM 1893 CB ARG A 137 25.670 -13.263 -4.135 1.00 0.00 C ATOM 1894 CG ARG A 137 26.216 -13.592 -5.518 1.00 0.00 C ATOM 1895 CD ARG A 137 26.686 -12.346 -6.254 1.00 0.00 C ATOM 1896 NE ARG A 137 27.746 -11.646 -5.525 1.00 0.00 N ATOM 1897 CZ ARG A 137 28.504 -10.677 -6.042 1.00 0.00 C ATOM 1898 NH1 ARG A 137 28.360 -10.314 -7.311 1.00 0.00 N ATOM 1899 NH2 ARG A 137 29.418 -10.080 -5.286 1.00 0.00 N ATOM 0 H ARG A 137 23.767 -14.433 -1.877 1.00 0.00 H new ATOM 0 HA ARG A 137 24.504 -15.039 -3.866 1.00 0.00 H new ATOM 0 HB2 ARG A 137 24.796 -12.620 -4.241 1.00 0.00 H new ATOM 0 HB3 ARG A 137 26.419 -12.695 -3.583 1.00 0.00 H new ATOM 0 HG2 ARG A 137 27.046 -14.292 -5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 137 25.444 -14.090 -6.104 1.00 0.00 H new ATOM 0 HD2 ARG A 137 27.049 -12.624 -7.243 1.00 0.00 H new ATOM 0 HD3 ARG A 137 25.842 -11.672 -6.402 1.00 0.00 H new ATOM 0 HE ARG A 137 27.916 -11.917 -4.557 1.00 0.00 H new ATOM 0 HH11 ARG A 137 27.666 -10.777 -7.898 1.00 0.00 H new ATOM 0 HH12 ARG A 137 28.943 -9.572 -7.699 1.00 0.00 H new ATOM 0 HH21 ARG A 137 29.539 -10.362 -4.313 1.00 0.00 H new ATOM 0 HH22 ARG A 137 29.999 -9.339 -5.678 1.00 0.00 H new ATOM 1913 N ILE A 138 26.233 -16.727 -3.147 1.00 0.00 N ATOM 1914 CA ILE A 138 27.297 -17.713 -3.031 1.00 0.00 C ATOM 1915 C ILE A 138 27.818 -18.081 -4.417 1.00 0.00 C ATOM 1916 O ILE A 138 29.015 -18.284 -4.614 1.00 0.00 O ATOM 1917 CB ILE A 138 26.807 -18.978 -2.263 1.00 0.00 C ATOM 1918 CG1 ILE A 138 27.951 -19.971 -1.994 1.00 0.00 C ATOM 1919 CG2 ILE A 138 25.677 -19.668 -3.007 1.00 0.00 C ATOM 1920 CD1 ILE A 138 28.244 -20.940 -3.126 1.00 0.00 C ATOM 0 H ILE A 138 25.295 -17.123 -3.213 1.00 0.00 H new ATOM 0 HA ILE A 138 28.114 -17.278 -2.456 1.00 0.00 H new ATOM 0 HB ILE A 138 26.432 -18.634 -1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 138 28.858 -19.406 -1.776 1.00 0.00 H new ATOM 0 HG13 ILE A 138 27.710 -20.545 -1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 138 25.356 -20.547 -2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 138 24.838 -18.980 -3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 138 26.024 -19.973 -3.994 1.00 0.00 H new ATOM 0 HD11 ILE A 138 29.065 -21.597 -2.839 1.00 0.00 H new ATOM 0 HD12 ILE A 138 27.356 -21.538 -3.332 1.00 0.00 H new ATOM 0 HD13 ILE A 138 28.521 -20.382 -4.020 1.00 0.00 H new ATOM 1932 N GLU A 139 26.913 -18.123 -5.380 1.00 0.00 N ATOM 1933 CA GLU A 139 27.247 -18.576 -6.716 1.00 0.00 C ATOM 1934 C GLU A 139 27.458 -17.394 -7.658 1.00 0.00 C ATOM 1935 O GLU A 139 26.648 -16.465 -7.681 1.00 0.00 O ATOM 1936 CB GLU A 139 26.127 -19.476 -7.238 1.00 0.00 C ATOM 1937 CG GLU A 139 26.462 -20.182 -8.538 1.00 0.00 C ATOM 1938 CD GLU A 139 25.282 -20.936 -9.106 1.00 0.00 C ATOM 1939 OE1 GLU A 139 24.983 -22.044 -8.616 1.00 0.00 O ATOM 1940 OE2 GLU A 139 24.642 -20.423 -10.048 1.00 0.00 O ATOM 0 H GLU A 139 25.938 -17.847 -5.259 1.00 0.00 H new ATOM 0 HA GLU A 139 28.179 -19.139 -6.674 1.00 0.00 H new ATOM 0 HB2 GLU A 139 25.892 -20.223 -6.480 1.00 0.00 H new ATOM 0 HB3 GLU A 139 25.229 -18.875 -7.383 1.00 0.00 H new ATOM 0 HG2 GLU A 139 26.807 -19.449 -9.268 1.00 0.00 H new ATOM 0 HG3 GLU A 139 27.286 -20.876 -8.370 1.00 0.00 H new ATOM 1947 N SER A 140 28.556 -17.448 -8.420 1.00 0.00 N ATOM 1948 CA SER A 140 28.900 -16.454 -9.449 1.00 0.00 C ATOM 1949 C SER A 140 28.999 -15.032 -8.885 1.00 0.00 C ATOM 1950 O SER A 140 28.866 -14.810 -7.678 1.00 0.00 O ATOM 1951 CB SER A 140 27.898 -16.500 -10.619 1.00 0.00 C ATOM 1952 OG SER A 140 26.592 -16.120 -10.220 1.00 0.00 O ATOM 0 H SER A 140 29.244 -18.196 -8.339 1.00 0.00 H new ATOM 0 HA SER A 140 29.889 -16.722 -9.821 1.00 0.00 H new ATOM 0 HB2 SER A 140 28.240 -15.838 -11.415 1.00 0.00 H new ATOM 0 HB3 SER A 140 27.871 -17.508 -11.033 1.00 0.00 H new ATOM 0 HG SER A 140 26.607 -15.832 -9.283 1.00 0.00 H new ATOM 1958 N ILE A 141 29.276 -14.076 -9.761 1.00 0.00 N ATOM 1959 CA ILE A 141 29.291 -12.676 -9.378 1.00 0.00 C ATOM 1960 C ILE A 141 28.120 -11.942 -10.023 1.00 0.00 C ATOM 1961 O ILE A 141 27.135 -11.666 -9.310 1.00 0.00 O ATOM 1962 CB ILE A 141 30.629 -11.977 -9.726 1.00 0.00 C ATOM 1963 CG1 ILE A 141 31.037 -12.242 -11.182 1.00 0.00 C ATOM 1964 CG2 ILE A 141 31.724 -12.434 -8.772 1.00 0.00 C ATOM 1965 CD1 ILE A 141 32.279 -11.492 -11.615 1.00 0.00 C ATOM 1966 OXT ILE A 141 28.160 -11.687 -11.242 1.00 0.00 O ATOM 0 H ILE A 141 29.493 -14.248 -10.743 1.00 0.00 H new ATOM 0 HA ILE A 141 29.189 -12.638 -8.293 1.00 0.00 H new ATOM 0 HB ILE A 141 30.488 -10.902 -9.613 1.00 0.00 H new ATOM 0 HG12 ILE A 141 31.205 -13.311 -11.314 1.00 0.00 H new ATOM 0 HG13 ILE A 141 30.211 -11.966 -11.837 1.00 0.00 H new ATOM 0 HG21 ILE A 141 32.660 -11.936 -9.027 1.00 0.00 H new ATOM 0 HG22 ILE A 141 31.445 -12.181 -7.749 1.00 0.00 H new ATOM 0 HG23 ILE A 141 31.853 -13.513 -8.856 1.00 0.00 H new ATOM 0 HD11 ILE A 141 32.504 -11.730 -12.655 1.00 0.00 H new ATOM 0 HD12 ILE A 141 32.109 -10.420 -11.517 1.00 0.00 H new ATOM 0 HD13 ILE A 141 33.119 -11.785 -10.986 1.00 0.00 H new TER 1978 ILE A 141