USER MOD reduce.3.24.130724 H: found=0, std=0, add=1052, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1053 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 115 GLN : amide:sc= -0.894! C(o=-2.3!,f=-3.8!) USER MOD Set 1.2: A 117 TYR OH : rot -15:sc= -1.44 USER MOD Set 2.1: A 98 ASN : amide:sc= -4.58! C(o=-9.9!,f=-10!) USER MOD Set 2.2: A 100 ASN : amide:sc= -5.35! C(o=-9.9!,f=-13!) USER MOD Set 3.1: A 81 THR OG1 : rot -89:sc= -3.07! USER MOD Set 3.2: A 92 LYS NZ :NH3+ 165:sc= -4.61! (180deg=-3.16!) USER MOD Set 4.1: A 21 MET CE :methyl -162:sc= -0.147 (180deg=-0.758) USER MOD Set 4.2: A 76 THR OG1 : rot 180:sc= -0.861 USER MOD Set 5.1: A 50 LYS NZ :NH3+ -174:sc= 0 (180deg=0) USER MOD Set 5.2: A 52 SER OG : rot -35:sc= 0.137! USER MOD Set 5.3: A 57 ASN : amide:sc= -0.266 K(o=-0.13,f=-5.2!) USER MOD Set 6.1: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 6.2: A 18 MET CE :methyl 145:sc= -4.01 (180deg=-5.1!) USER MOD Single : A 1 ALA N :NH3+ -115:sc= 0.145 (180deg=0) USER MOD Single : A 4 SER OG : rot 82:sc= -0.992! USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -178:sc= -0.0585 (180deg=-0.0636) USER MOD Single : A 11 SER OG : rot 160:sc= 0.00774 USER MOD Single : A 13 ASN : amide:sc= -5.66! C(o=-5.7!,f=-19!) USER MOD Single : A 16 LYS NZ :NH3+ 144:sc= -1.83! (180deg=-2.83!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc=-0.00348 X(o=-0.0035,f=-0.0035) USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= -0.0482 (180deg=-0.561) USER MOD Single : A 29 LYS NZ :NH3+ -156:sc= -0.211 (180deg=-1.26) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 35 ASN : amide:sc= -3.87! C(o=-3.9!,f=-4.8!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.868 K(o=-0.87,f=-3.9!) USER MOD Single : A 45 ASN : amide:sc= -4.37! K(o=-4.4!,f=-3) USER MOD Single : A 46 LYS NZ :NH3+ 141:sc= -0.318 (180deg=-1.58!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 53 SER OG : rot 99:sc= 1.87 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0879 USER MOD Single : A 69 ASN : amide:sc= -2.65! C(o=-2.6!,f=-4.5!) USER MOD Single : A 71 ASN : amide:sc= -2.13 K(o=-2.1,f=-11!) USER MOD Single : A 83 SER OG : rot 180:sc= -0.0403 USER MOD Single : A 87 ASN : amide:sc= -0.0345 X(o=-0.035,f=-0.1) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -161:sc= -0.024 (180deg=-0.267) USER MOD Single : A 96 THR OG1 : rot -81:sc= -1.13 USER MOD Single : A 103 ASN : amide:sc= -0.207 X(o=-0.21,f=-0.018) USER MOD Single : A 104 THR OG1 : rot 60:sc= -0.103 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot -80:sc= -2.74 USER MOD Single : A 125 LYS NZ :NH3+ -132:sc= 0.223! (180deg=-3.04!) USER MOD Single : A 129 LYS NZ :NH3+ -155:sc= -0.104 (180deg=-0.703) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 119.005 6.509 -9.808 1.00 0.00 N ATOM 2 CA ALA A 1 118.071 6.223 -8.682 1.00 0.00 C ATOM 3 C ALA A 1 116.703 5.829 -9.244 1.00 0.00 C ATOM 4 O ALA A 1 116.475 5.874 -10.437 1.00 0.00 O ATOM 5 CB ALA A 1 117.923 7.472 -7.812 1.00 0.00 C ATOM 0 H1 ALA A 1 119.773 5.808 -9.808 1.00 0.00 H new ATOM 0 H2 ALA A 1 118.488 6.457 -10.709 1.00 0.00 H new ATOM 0 H3 ALA A 1 119.406 7.462 -9.693 1.00 0.00 H new ATOM 0 HA ALA A 1 118.467 5.406 -8.079 1.00 0.00 H new ATOM 0 HB1 ALA A 1 117.240 7.263 -6.989 1.00 0.00 H new ATOM 0 HB2 ALA A 1 118.897 7.755 -7.413 1.00 0.00 H new ATOM 0 HB3 ALA A 1 117.526 8.290 -8.414 1.00 0.00 H new ATOM 13 N PHE A 2 115.790 5.443 -8.395 1.00 0.00 N ATOM 14 CA PHE A 2 114.441 5.048 -8.880 1.00 0.00 C ATOM 15 C PHE A 2 113.658 6.303 -9.259 1.00 0.00 C ATOM 16 O PHE A 2 112.445 6.331 -9.223 1.00 0.00 O ATOM 17 CB PHE A 2 113.699 4.285 -7.776 1.00 0.00 C ATOM 18 CG PHE A 2 113.218 2.957 -8.311 1.00 0.00 C ATOM 19 CD1 PHE A 2 114.116 2.083 -8.937 1.00 0.00 C ATOM 20 CD2 PHE A 2 111.871 2.603 -8.185 1.00 0.00 C ATOM 21 CE1 PHE A 2 113.663 0.856 -9.438 1.00 0.00 C ATOM 22 CE2 PHE A 2 111.421 1.376 -8.683 1.00 0.00 C ATOM 23 CZ PHE A 2 112.318 0.503 -9.310 1.00 0.00 C ATOM 0 H PHE A 2 115.922 5.385 -7.385 1.00 0.00 H new ATOM 0 HA PHE A 2 114.539 4.403 -9.753 1.00 0.00 H new ATOM 0 HB2 PHE A 2 114.359 4.127 -6.923 1.00 0.00 H new ATOM 0 HB3 PHE A 2 112.853 4.873 -7.420 1.00 0.00 H new ATOM 0 HD1 PHE A 2 115.157 2.355 -9.033 1.00 0.00 H new ATOM 0 HD2 PHE A 2 111.178 3.277 -7.703 1.00 0.00 H new ATOM 0 HE1 PHE A 2 114.354 0.183 -9.923 1.00 0.00 H new ATOM 0 HE2 PHE A 2 110.381 1.102 -8.584 1.00 0.00 H new ATOM 0 HZ PHE A 2 111.970 -0.444 -9.695 1.00 0.00 H new ATOM 33 N ASP A 3 114.353 7.339 -9.622 1.00 0.00 N ATOM 34 CA ASP A 3 113.665 8.604 -10.007 1.00 0.00 C ATOM 35 C ASP A 3 112.952 8.414 -11.348 1.00 0.00 C ATOM 36 O ASP A 3 113.455 8.790 -12.388 1.00 0.00 O ATOM 37 CB ASP A 3 114.695 9.727 -10.135 1.00 0.00 C ATOM 38 CG ASP A 3 113.976 11.057 -10.372 1.00 0.00 C ATOM 39 OD1 ASP A 3 114.321 11.731 -11.328 1.00 0.00 O ATOM 40 OD2 ASP A 3 113.093 11.376 -9.593 1.00 0.00 O ATOM 0 H ASP A 3 115.371 7.368 -9.670 1.00 0.00 H new ATOM 0 HA ASP A 3 112.934 8.864 -9.241 1.00 0.00 H new ATOM 0 HB2 ASP A 3 115.300 9.785 -9.230 1.00 0.00 H new ATOM 0 HB3 ASP A 3 115.376 9.518 -10.960 1.00 0.00 H new ATOM 45 N SER A 4 111.781 7.834 -11.334 1.00 0.00 N ATOM 46 CA SER A 4 111.038 7.622 -12.611 1.00 0.00 C ATOM 47 C SER A 4 109.811 6.742 -12.350 1.00 0.00 C ATOM 48 O SER A 4 109.336 6.635 -11.235 1.00 0.00 O ATOM 49 CB SER A 4 111.959 6.945 -13.632 1.00 0.00 C ATOM 50 OG SER A 4 113.137 6.494 -12.977 1.00 0.00 O ATOM 0 H SER A 4 111.308 7.498 -10.495 1.00 0.00 H new ATOM 0 HA SER A 4 110.710 8.583 -13.007 1.00 0.00 H new ATOM 0 HB2 SER A 4 111.446 6.105 -14.101 1.00 0.00 H new ATOM 0 HB3 SER A 4 112.217 7.645 -14.427 1.00 0.00 H new ATOM 0 HG SER A 4 112.961 5.634 -12.542 1.00 0.00 H new ATOM 56 N THR A 5 109.293 6.108 -13.371 1.00 0.00 N ATOM 57 CA THR A 5 108.100 5.237 -13.180 1.00 0.00 C ATOM 58 C THR A 5 108.554 3.793 -12.973 1.00 0.00 C ATOM 59 O THR A 5 109.516 3.344 -13.563 1.00 0.00 O ATOM 60 CB THR A 5 107.204 5.319 -14.419 1.00 0.00 C ATOM 61 OG1 THR A 5 106.705 6.643 -14.554 1.00 0.00 O ATOM 62 CG2 THR A 5 106.035 4.344 -14.271 1.00 0.00 C ATOM 0 H THR A 5 109.646 6.157 -14.327 1.00 0.00 H new ATOM 0 HA THR A 5 107.541 5.571 -12.306 1.00 0.00 H new ATOM 0 HB THR A 5 107.783 5.056 -15.304 1.00 0.00 H new ATOM 0 HG1 THR A 5 106.133 6.698 -15.348 1.00 0.00 H new ATOM 0 HG21 THR A 5 105.398 4.403 -15.153 1.00 0.00 H new ATOM 0 HG22 THR A 5 106.419 3.329 -14.168 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.454 4.604 -13.386 1.00 0.00 H new ATOM 70 N TRP A 6 107.875 3.066 -12.131 1.00 0.00 N ATOM 71 CA TRP A 6 108.274 1.654 -11.874 1.00 0.00 C ATOM 72 C TRP A 6 107.035 0.843 -11.483 1.00 0.00 C ATOM 73 O TRP A 6 105.986 1.393 -11.216 1.00 0.00 O ATOM 74 CB TRP A 6 109.286 1.619 -10.736 1.00 0.00 C ATOM 75 CG TRP A 6 110.359 2.635 -10.981 1.00 0.00 C ATOM 76 CD1 TRP A 6 110.232 3.966 -10.778 1.00 0.00 C ATOM 77 CD2 TRP A 6 111.717 2.425 -11.464 1.00 0.00 C ATOM 78 NE1 TRP A 6 111.427 4.584 -11.101 1.00 0.00 N ATOM 79 CE2 TRP A 6 112.374 3.674 -11.531 1.00 0.00 C ATOM 80 CE3 TRP A 6 112.435 1.280 -11.845 1.00 0.00 C ATOM 81 CZ2 TRP A 6 113.697 3.782 -11.962 1.00 0.00 C ATOM 82 CZ3 TRP A 6 113.764 1.382 -12.277 1.00 0.00 C ATOM 83 CH2 TRP A 6 114.396 2.632 -12.336 1.00 0.00 C ATOM 0 H TRP A 6 107.060 3.389 -11.609 1.00 0.00 H new ATOM 0 HA TRP A 6 108.720 1.226 -12.772 1.00 0.00 H new ATOM 0 HB2 TRP A 6 108.788 1.823 -9.788 1.00 0.00 H new ATOM 0 HB3 TRP A 6 109.725 0.624 -10.658 1.00 0.00 H new ATOM 0 HD1 TRP A 6 109.343 4.465 -10.422 1.00 0.00 H new ATOM 0 HE1 TRP A 6 111.589 5.589 -11.030 1.00 0.00 H new ATOM 0 HE3 TRP A 6 111.958 0.312 -11.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 114.177 4.748 -12.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 114.304 0.493 -12.566 1.00 0.00 H new ATOM 0 HH2 TRP A 6 115.421 2.706 -12.670 1.00 0.00 H new ATOM 94 N LYS A 7 107.142 -0.460 -11.447 1.00 0.00 N ATOM 95 CA LYS A 7 105.962 -1.285 -11.073 1.00 0.00 C ATOM 96 C LYS A 7 106.429 -2.608 -10.470 1.00 0.00 C ATOM 97 O LYS A 7 107.269 -3.289 -11.023 1.00 0.00 O ATOM 98 CB LYS A 7 105.117 -1.558 -12.319 1.00 0.00 C ATOM 99 CG LYS A 7 105.813 -2.604 -13.193 1.00 0.00 C ATOM 100 CD LYS A 7 105.129 -2.662 -14.561 1.00 0.00 C ATOM 101 CE LYS A 7 105.742 -3.790 -15.395 1.00 0.00 C ATOM 102 NZ LYS A 7 106.869 -3.250 -16.208 1.00 0.00 N ATOM 0 H LYS A 7 107.991 -0.983 -11.660 1.00 0.00 H new ATOM 0 HA LYS A 7 105.363 -0.748 -10.338 1.00 0.00 H new ATOM 0 HB2 LYS A 7 104.128 -1.912 -12.029 1.00 0.00 H new ATOM 0 HB3 LYS A 7 104.973 -0.636 -12.882 1.00 0.00 H new ATOM 0 HG2 LYS A 7 106.867 -2.351 -13.312 1.00 0.00 H new ATOM 0 HG3 LYS A 7 105.772 -3.581 -12.712 1.00 0.00 H new ATOM 0 HD2 LYS A 7 104.059 -2.828 -14.437 1.00 0.00 H new ATOM 0 HD3 LYS A 7 105.246 -1.709 -15.078 1.00 0.00 H new ATOM 0 HE2 LYS A 7 106.099 -4.587 -14.742 1.00 0.00 H new ATOM 0 HE3 LYS A 7 104.986 -4.227 -16.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 107.264 -4.008 -16.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 106.521 -2.481 -16.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 107.609 -2.883 -15.576 1.00 0.00 H new ATOM 116 N VAL A 8 105.894 -2.979 -9.338 1.00 0.00 N ATOM 117 CA VAL A 8 106.314 -4.256 -8.708 1.00 0.00 C ATOM 118 C VAL A 8 106.484 -5.325 -9.782 1.00 0.00 C ATOM 119 O VAL A 8 105.528 -5.851 -10.316 1.00 0.00 O ATOM 120 CB VAL A 8 105.260 -4.699 -7.690 1.00 0.00 C ATOM 121 CG1 VAL A 8 103.866 -4.324 -8.195 1.00 0.00 C ATOM 122 CG2 VAL A 8 105.341 -6.214 -7.491 1.00 0.00 C ATOM 0 H VAL A 8 105.186 -2.452 -8.826 1.00 0.00 H new ATOM 0 HA VAL A 8 107.265 -4.112 -8.195 1.00 0.00 H new ATOM 0 HB VAL A 8 105.447 -4.199 -6.740 1.00 0.00 H new ATOM 0 HG11 VAL A 8 103.118 -4.641 -7.468 1.00 0.00 H new ATOM 0 HG12 VAL A 8 103.806 -3.244 -8.330 1.00 0.00 H new ATOM 0 HG13 VAL A 8 103.679 -4.820 -9.148 1.00 0.00 H new ATOM 0 HG21 VAL A 8 104.590 -6.526 -6.766 1.00 0.00 H new ATOM 0 HG22 VAL A 8 105.159 -6.716 -8.441 1.00 0.00 H new ATOM 0 HG23 VAL A 8 106.332 -6.480 -7.124 1.00 0.00 H new ATOM 132 N ASP A 9 107.706 -5.660 -10.085 1.00 0.00 N ATOM 133 CA ASP A 9 107.958 -6.709 -11.104 1.00 0.00 C ATOM 134 C ASP A 9 108.091 -8.042 -10.380 1.00 0.00 C ATOM 135 O ASP A 9 107.759 -9.086 -10.905 1.00 0.00 O ATOM 136 CB ASP A 9 109.251 -6.397 -11.859 1.00 0.00 C ATOM 137 CG ASP A 9 109.597 -7.564 -12.785 1.00 0.00 C ATOM 138 OD1 ASP A 9 108.801 -8.484 -12.870 1.00 0.00 O ATOM 139 OD2 ASP A 9 110.652 -7.516 -13.396 1.00 0.00 O ATOM 0 H ASP A 9 108.542 -5.250 -9.668 1.00 0.00 H new ATOM 0 HA ASP A 9 107.139 -6.747 -11.822 1.00 0.00 H new ATOM 0 HB2 ASP A 9 109.134 -5.482 -12.439 1.00 0.00 H new ATOM 0 HB3 ASP A 9 110.064 -6.226 -11.153 1.00 0.00 H new ATOM 144 N ARG A 10 108.565 -8.010 -9.162 1.00 0.00 N ATOM 145 CA ARG A 10 108.707 -9.280 -8.392 1.00 0.00 C ATOM 146 C ARG A 10 108.484 -9.012 -6.900 1.00 0.00 C ATOM 147 O ARG A 10 108.495 -7.883 -6.453 1.00 0.00 O ATOM 148 CB ARG A 10 110.104 -9.869 -8.608 1.00 0.00 C ATOM 149 CG ARG A 10 110.420 -9.905 -10.104 1.00 0.00 C ATOM 150 CD ARG A 10 111.697 -10.715 -10.338 1.00 0.00 C ATOM 151 NE ARG A 10 112.795 -10.169 -9.492 1.00 0.00 N ATOM 152 CZ ARG A 10 113.858 -10.888 -9.258 1.00 0.00 C ATOM 153 NH1 ARG A 10 114.820 -10.408 -8.520 1.00 0.00 N ATOM 154 NH2 ARG A 10 113.958 -12.088 -9.763 1.00 0.00 N ATOM 0 H ARG A 10 108.858 -7.166 -8.670 1.00 0.00 H new ATOM 0 HA ARG A 10 107.961 -9.993 -8.744 1.00 0.00 H new ATOM 0 HB2 ARG A 10 110.848 -9.269 -8.083 1.00 0.00 H new ATOM 0 HB3 ARG A 10 110.154 -10.875 -8.191 1.00 0.00 H new ATOM 0 HG2 ARG A 10 109.589 -10.350 -10.651 1.00 0.00 H new ATOM 0 HG3 ARG A 10 110.545 -8.891 -10.484 1.00 0.00 H new ATOM 0 HD2 ARG A 10 111.524 -11.764 -10.096 1.00 0.00 H new ATOM 0 HD3 ARG A 10 111.979 -10.673 -11.390 1.00 0.00 H new ATOM 0 HE ARG A 10 112.716 -9.233 -9.096 1.00 0.00 H new ATOM 0 HH11 ARG A 10 114.741 -9.471 -8.126 1.00 0.00 H new ATOM 0 HH12 ARG A 10 115.651 -10.970 -8.337 1.00 0.00 H new ATOM 0 HH21 ARG A 10 113.205 -12.463 -10.340 1.00 0.00 H new ATOM 0 HH22 ARG A 10 114.789 -12.651 -9.580 1.00 0.00 H new ATOM 168 N SER A 11 108.275 -10.047 -6.129 1.00 0.00 N ATOM 169 CA SER A 11 108.044 -9.864 -4.666 1.00 0.00 C ATOM 170 C SER A 11 108.136 -11.223 -3.966 1.00 0.00 C ATOM 171 O SER A 11 108.332 -12.241 -4.600 1.00 0.00 O ATOM 172 CB SER A 11 106.654 -9.269 -4.442 1.00 0.00 C ATOM 173 OG SER A 11 105.750 -10.308 -4.089 1.00 0.00 O ATOM 0 H SER A 11 108.254 -11.015 -6.451 1.00 0.00 H new ATOM 0 HA SER A 11 108.797 -9.191 -4.257 1.00 0.00 H new ATOM 0 HB2 SER A 11 106.690 -8.519 -3.652 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.312 -8.765 -5.346 1.00 0.00 H new ATOM 0 HG SER A 11 104.968 -9.923 -3.642 1.00 0.00 H new ATOM 179 N GLU A 12 107.996 -11.255 -2.667 1.00 0.00 N ATOM 180 CA GLU A 12 108.077 -12.557 -1.949 1.00 0.00 C ATOM 181 C GLU A 12 107.256 -12.495 -0.656 1.00 0.00 C ATOM 182 O GLU A 12 107.096 -11.447 -0.057 1.00 0.00 O ATOM 183 CB GLU A 12 109.543 -12.873 -1.625 1.00 0.00 C ATOM 184 CG GLU A 12 109.876 -12.425 -0.198 1.00 0.00 C ATOM 185 CD GLU A 12 111.392 -12.453 0.005 1.00 0.00 C ATOM 186 OE1 GLU A 12 112.068 -13.050 -0.816 1.00 0.00 O ATOM 187 OE2 GLU A 12 111.850 -11.876 0.978 1.00 0.00 O ATOM 0 H GLU A 12 107.830 -10.440 -2.077 1.00 0.00 H new ATOM 0 HA GLU A 12 107.671 -13.344 -2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 12 109.724 -13.943 -1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 12 110.197 -12.368 -2.335 1.00 0.00 H new ATOM 0 HG2 GLU A 12 109.493 -11.420 -0.023 1.00 0.00 H new ATOM 0 HG3 GLU A 12 109.390 -13.082 0.523 1.00 0.00 H new ATOM 194 N ASN A 13 106.743 -13.619 -0.225 1.00 0.00 N ATOM 195 CA ASN A 13 105.935 -13.658 1.028 1.00 0.00 C ATOM 196 C ASN A 13 104.735 -12.715 0.904 1.00 0.00 C ATOM 197 O ASN A 13 103.795 -12.982 0.184 1.00 0.00 O ATOM 198 CB ASN A 13 106.800 -13.232 2.216 1.00 0.00 C ATOM 199 CG ASN A 13 105.913 -13.048 3.448 1.00 0.00 C ATOM 200 OD1 ASN A 13 104.874 -13.669 3.561 1.00 0.00 O ATOM 201 ND2 ASN A 13 106.279 -12.215 4.384 1.00 0.00 N ATOM 0 H ASN A 13 106.851 -14.519 -0.693 1.00 0.00 H new ATOM 0 HA ASN A 13 105.578 -14.675 1.188 1.00 0.00 H new ATOM 0 HB2 ASN A 13 107.564 -13.985 2.413 1.00 0.00 H new ATOM 0 HB3 ASN A 13 107.321 -12.302 1.986 1.00 0.00 H new ATOM 0 HD21 ASN A 13 105.693 -12.086 5.209 1.00 0.00 H new ATOM 0 HD22 ASN A 13 107.151 -11.693 4.290 1.00 0.00 H new ATOM 208 N TYR A 14 104.761 -11.615 1.605 1.00 0.00 N ATOM 209 CA TYR A 14 103.627 -10.657 1.533 1.00 0.00 C ATOM 210 C TYR A 14 102.447 -11.189 2.343 1.00 0.00 C ATOM 211 O TYR A 14 101.924 -10.513 3.206 1.00 0.00 O ATOM 212 CB TYR A 14 103.212 -10.465 0.069 1.00 0.00 C ATOM 213 CG TYR A 14 102.843 -9.020 -0.178 1.00 0.00 C ATOM 214 CD1 TYR A 14 103.625 -7.992 0.362 1.00 0.00 C ATOM 215 CD2 TYR A 14 101.717 -8.712 -0.952 1.00 0.00 C ATOM 216 CE1 TYR A 14 103.282 -6.656 0.128 1.00 0.00 C ATOM 217 CE2 TYR A 14 101.373 -7.376 -1.185 1.00 0.00 C ATOM 218 CZ TYR A 14 102.155 -6.348 -0.645 1.00 0.00 C ATOM 219 OH TYR A 14 101.816 -5.030 -0.875 1.00 0.00 O ATOM 0 H TYR A 14 105.522 -11.339 2.226 1.00 0.00 H new ATOM 0 HA TYR A 14 103.937 -9.698 1.948 1.00 0.00 H new ATOM 0 HB2 TYR A 14 104.029 -10.758 -0.591 1.00 0.00 H new ATOM 0 HB3 TYR A 14 102.365 -11.110 -0.165 1.00 0.00 H new ATOM 0 HD1 TYR A 14 104.493 -8.230 0.959 1.00 0.00 H new ATOM 0 HD2 TYR A 14 101.115 -9.506 -1.369 1.00 0.00 H new ATOM 0 HE1 TYR A 14 103.886 -5.863 0.543 1.00 0.00 H new ATOM 0 HE2 TYR A 14 100.505 -7.138 -1.781 1.00 0.00 H new ATOM 0 HH TYR A 14 101.009 -4.992 -1.430 1.00 0.00 H new ATOM 229 N ASP A 15 102.019 -12.389 2.080 1.00 0.00 N ATOM 230 CA ASP A 15 100.874 -12.937 2.852 1.00 0.00 C ATOM 231 C ASP A 15 101.231 -12.937 4.333 1.00 0.00 C ATOM 232 O ASP A 15 100.508 -12.414 5.157 1.00 0.00 O ATOM 233 CB ASP A 15 100.573 -14.365 2.390 1.00 0.00 C ATOM 234 CG ASP A 15 99.872 -14.325 1.031 1.00 0.00 C ATOM 235 OD1 ASP A 15 99.679 -15.384 0.455 1.00 0.00 O ATOM 236 OD2 ASP A 15 99.543 -13.238 0.588 1.00 0.00 O ATOM 0 H ASP A 15 102.408 -13.010 1.370 1.00 0.00 H new ATOM 0 HA ASP A 15 99.990 -12.320 2.687 1.00 0.00 H new ATOM 0 HB2 ASP A 15 101.498 -14.937 2.317 1.00 0.00 H new ATOM 0 HB3 ASP A 15 99.942 -14.870 3.122 1.00 0.00 H new ATOM 241 N LYS A 16 102.349 -13.504 4.680 1.00 0.00 N ATOM 242 CA LYS A 16 102.752 -13.518 6.111 1.00 0.00 C ATOM 243 C LYS A 16 102.828 -12.077 6.609 1.00 0.00 C ATOM 244 O LYS A 16 102.537 -11.788 7.752 1.00 0.00 O ATOM 245 CB LYS A 16 104.120 -14.188 6.262 1.00 0.00 C ATOM 246 CG LYS A 16 104.114 -15.540 5.543 1.00 0.00 C ATOM 247 CD LYS A 16 105.552 -16.027 5.358 1.00 0.00 C ATOM 248 CE LYS A 16 106.317 -15.876 6.675 1.00 0.00 C ATOM 249 NZ LYS A 16 105.484 -16.393 7.796 1.00 0.00 N ATOM 0 H LYS A 16 102.999 -13.957 4.038 1.00 0.00 H new ATOM 0 HA LYS A 16 102.022 -14.078 6.695 1.00 0.00 H new ATOM 0 HB2 LYS A 16 104.897 -13.547 5.846 1.00 0.00 H new ATOM 0 HB3 LYS A 16 104.353 -14.328 7.318 1.00 0.00 H new ATOM 0 HG2 LYS A 16 103.544 -16.268 6.120 1.00 0.00 H new ATOM 0 HG3 LYS A 16 103.623 -15.446 4.574 1.00 0.00 H new ATOM 0 HD2 LYS A 16 105.556 -17.070 5.041 1.00 0.00 H new ATOM 0 HD3 LYS A 16 106.043 -15.453 4.572 1.00 0.00 H new ATOM 0 HE2 LYS A 16 107.259 -16.423 6.626 1.00 0.00 H new ATOM 0 HE3 LYS A 16 106.565 -14.828 6.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 106.096 -16.857 8.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 104.979 -15.603 8.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 104.795 -17.080 7.428 1.00 0.00 H new ATOM 263 N PHE A 17 103.208 -11.168 5.754 1.00 0.00 N ATOM 264 CA PHE A 17 103.290 -9.748 6.174 1.00 0.00 C ATOM 265 C PHE A 17 101.879 -9.205 6.351 1.00 0.00 C ATOM 266 O PHE A 17 101.482 -8.804 7.426 1.00 0.00 O ATOM 267 CB PHE A 17 104.013 -8.961 5.089 1.00 0.00 C ATOM 268 CG PHE A 17 103.919 -7.486 5.376 1.00 0.00 C ATOM 269 CD1 PHE A 17 104.874 -6.888 6.194 1.00 0.00 C ATOM 270 CD2 PHE A 17 102.889 -6.718 4.820 1.00 0.00 C ATOM 271 CE1 PHE A 17 104.809 -5.518 6.465 1.00 0.00 C ATOM 272 CE2 PHE A 17 102.819 -5.346 5.091 1.00 0.00 C ATOM 273 CZ PHE A 17 103.780 -4.746 5.913 1.00 0.00 C ATOM 0 H PHE A 17 103.464 -11.351 4.784 1.00 0.00 H new ATOM 0 HA PHE A 17 103.833 -9.658 7.115 1.00 0.00 H new ATOM 0 HB2 PHE A 17 105.059 -9.265 5.043 1.00 0.00 H new ATOM 0 HB3 PHE A 17 103.574 -9.180 4.116 1.00 0.00 H new ATOM 0 HD1 PHE A 17 105.667 -7.484 6.620 1.00 0.00 H new ATOM 0 HD2 PHE A 17 102.150 -7.183 4.184 1.00 0.00 H new ATOM 0 HE1 PHE A 17 105.551 -5.056 7.099 1.00 0.00 H new ATOM 0 HE2 PHE A 17 102.024 -4.751 4.666 1.00 0.00 H new ATOM 0 HZ PHE A 17 103.728 -3.688 6.121 1.00 0.00 H new ATOM 283 N MET A 18 101.121 -9.197 5.298 1.00 0.00 N ATOM 284 CA MET A 18 99.725 -8.688 5.388 1.00 0.00 C ATOM 285 C MET A 18 98.968 -9.466 6.469 1.00 0.00 C ATOM 286 O MET A 18 98.020 -8.975 7.048 1.00 0.00 O ATOM 287 CB MET A 18 99.024 -8.871 4.042 1.00 0.00 C ATOM 288 CG MET A 18 99.774 -8.091 2.959 1.00 0.00 C ATOM 289 SD MET A 18 99.798 -6.332 3.387 1.00 0.00 S ATOM 290 CE MET A 18 100.454 -5.725 1.813 1.00 0.00 C ATOM 0 H MET A 18 101.406 -9.521 4.374 1.00 0.00 H new ATOM 0 HA MET A 18 99.741 -7.629 5.645 1.00 0.00 H new ATOM 0 HB2 MET A 18 98.986 -9.929 3.782 1.00 0.00 H new ATOM 0 HB3 MET A 18 97.993 -8.522 4.107 1.00 0.00 H new ATOM 0 HG2 MET A 18 100.793 -8.467 2.865 1.00 0.00 H new ATOM 0 HG3 MET A 18 99.291 -8.234 1.992 1.00 0.00 H new ATOM 0 HE1 MET A 18 100.010 -4.757 1.583 1.00 0.00 H new ATOM 0 HE2 MET A 18 101.536 -5.619 1.886 1.00 0.00 H new ATOM 0 HE3 MET A 18 100.211 -6.433 1.020 1.00 0.00 H new ATOM 300 N GLU A 19 99.376 -10.675 6.749 1.00 0.00 N ATOM 301 CA GLU A 19 98.673 -11.467 7.795 1.00 0.00 C ATOM 302 C GLU A 19 99.165 -11.032 9.173 1.00 0.00 C ATOM 303 O GLU A 19 98.453 -11.117 10.154 1.00 0.00 O ATOM 304 CB GLU A 19 98.965 -12.955 7.594 1.00 0.00 C ATOM 305 CG GLU A 19 98.410 -13.411 6.242 1.00 0.00 C ATOM 306 CD GLU A 19 97.057 -14.098 6.445 1.00 0.00 C ATOM 307 OE1 GLU A 19 96.058 -13.398 6.473 1.00 0.00 O ATOM 308 OE2 GLU A 19 97.043 -15.312 6.569 1.00 0.00 O ATOM 0 H GLU A 19 100.162 -11.145 6.300 1.00 0.00 H new ATOM 0 HA GLU A 19 97.599 -11.297 7.720 1.00 0.00 H new ATOM 0 HB2 GLU A 19 100.039 -13.134 7.636 1.00 0.00 H new ATOM 0 HB3 GLU A 19 98.514 -13.536 8.398 1.00 0.00 H new ATOM 0 HG2 GLU A 19 98.298 -12.555 5.577 1.00 0.00 H new ATOM 0 HG3 GLU A 19 99.109 -14.097 5.764 1.00 0.00 H new ATOM 315 N LYS A 20 100.380 -10.568 9.256 1.00 0.00 N ATOM 316 CA LYS A 20 100.917 -10.131 10.573 1.00 0.00 C ATOM 317 C LYS A 20 100.262 -8.810 10.977 1.00 0.00 C ATOM 318 O LYS A 20 99.990 -8.573 12.138 1.00 0.00 O ATOM 319 CB LYS A 20 102.435 -9.948 10.477 1.00 0.00 C ATOM 320 CG LYS A 20 103.083 -10.340 11.807 1.00 0.00 C ATOM 321 CD LYS A 20 103.311 -11.853 11.839 1.00 0.00 C ATOM 322 CE LYS A 20 104.082 -12.228 13.106 1.00 0.00 C ATOM 323 NZ LYS A 20 104.514 -13.651 13.020 1.00 0.00 N ATOM 0 H LYS A 20 101.023 -10.473 8.470 1.00 0.00 H new ATOM 0 HA LYS A 20 100.696 -10.889 11.324 1.00 0.00 H new ATOM 0 HB2 LYS A 20 102.835 -10.562 9.670 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.672 -8.912 10.236 1.00 0.00 H new ATOM 0 HG2 LYS A 20 104.031 -9.816 11.930 1.00 0.00 H new ATOM 0 HG3 LYS A 20 102.443 -10.041 12.637 1.00 0.00 H new ATOM 0 HD2 LYS A 20 102.355 -12.376 11.815 1.00 0.00 H new ATOM 0 HD3 LYS A 20 103.868 -12.166 10.956 1.00 0.00 H new ATOM 0 HE2 LYS A 20 104.950 -11.579 13.222 1.00 0.00 H new ATOM 0 HE3 LYS A 20 103.454 -12.080 13.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 105.038 -13.907 13.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 103.678 -14.263 12.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 105.128 -13.778 12.190 1.00 0.00 H new ATOM 337 N MET A 21 99.995 -7.952 10.033 1.00 0.00 N ATOM 338 CA MET A 21 99.348 -6.657 10.376 1.00 0.00 C ATOM 339 C MET A 21 97.884 -6.916 10.735 1.00 0.00 C ATOM 340 O MET A 21 97.174 -6.032 11.169 1.00 0.00 O ATOM 341 CB MET A 21 99.426 -5.707 9.178 1.00 0.00 C ATOM 342 CG MET A 21 100.697 -5.994 8.377 1.00 0.00 C ATOM 343 SD MET A 21 101.244 -4.477 7.554 1.00 0.00 S ATOM 344 CE MET A 21 99.706 -4.132 6.666 1.00 0.00 C ATOM 0 H MET A 21 100.196 -8.091 9.043 1.00 0.00 H new ATOM 0 HA MET A 21 99.861 -6.201 11.223 1.00 0.00 H new ATOM 0 HB2 MET A 21 98.548 -5.833 8.544 1.00 0.00 H new ATOM 0 HB3 MET A 21 99.426 -4.672 9.521 1.00 0.00 H new ATOM 0 HG2 MET A 21 101.480 -6.365 9.038 1.00 0.00 H new ATOM 0 HG3 MET A 21 100.507 -6.773 7.639 1.00 0.00 H new ATOM 0 HE1 MET A 21 99.904 -3.432 5.854 1.00 0.00 H new ATOM 0 HE2 MET A 21 99.307 -5.060 6.256 1.00 0.00 H new ATOM 0 HE3 MET A 21 98.980 -3.696 7.352 1.00 0.00 H new ATOM 354 N GLY A 22 97.431 -8.129 10.559 1.00 0.00 N ATOM 355 CA GLY A 22 96.014 -8.451 10.893 1.00 0.00 C ATOM 356 C GLY A 22 95.089 -7.885 9.814 1.00 0.00 C ATOM 357 O GLY A 22 93.971 -7.494 10.085 1.00 0.00 O ATOM 0 H GLY A 22 97.981 -8.909 10.199 1.00 0.00 H new ATOM 0 HA2 GLY A 22 95.884 -9.531 10.967 1.00 0.00 H new ATOM 0 HA3 GLY A 22 95.755 -8.031 11.865 1.00 0.00 H new ATOM 361 N VAL A 23 95.544 -7.839 8.591 1.00 0.00 N ATOM 362 CA VAL A 23 94.686 -7.299 7.499 1.00 0.00 C ATOM 363 C VAL A 23 93.583 -8.309 7.173 1.00 0.00 C ATOM 364 O VAL A 23 93.828 -9.493 7.063 1.00 0.00 O ATOM 365 CB VAL A 23 95.538 -7.056 6.252 1.00 0.00 C ATOM 366 CG1 VAL A 23 94.687 -6.371 5.180 1.00 0.00 C ATOM 367 CG2 VAL A 23 96.731 -6.160 6.608 1.00 0.00 C ATOM 0 H VAL A 23 96.471 -8.151 8.302 1.00 0.00 H new ATOM 0 HA VAL A 23 94.237 -6.359 7.820 1.00 0.00 H new ATOM 0 HB VAL A 23 95.904 -8.010 5.873 1.00 0.00 H new ATOM 0 HG11 VAL A 23 95.293 -6.197 4.291 1.00 0.00 H new ATOM 0 HG12 VAL A 23 93.841 -7.009 4.924 1.00 0.00 H new ATOM 0 HG13 VAL A 23 94.320 -5.418 5.561 1.00 0.00 H new ATOM 0 HG21 VAL A 23 97.336 -5.989 5.718 1.00 0.00 H new ATOM 0 HG22 VAL A 23 96.368 -5.205 6.989 1.00 0.00 H new ATOM 0 HG23 VAL A 23 97.338 -6.648 7.371 1.00 0.00 H new ATOM 377 N ASN A 24 92.372 -7.850 7.014 1.00 0.00 N ATOM 378 CA ASN A 24 91.257 -8.786 6.692 1.00 0.00 C ATOM 379 C ASN A 24 91.733 -9.793 5.643 1.00 0.00 C ATOM 380 O ASN A 24 92.687 -9.554 4.930 1.00 0.00 O ATOM 381 CB ASN A 24 90.070 -7.994 6.140 1.00 0.00 C ATOM 382 CG ASN A 24 89.444 -7.165 7.263 1.00 0.00 C ATOM 383 OD1 ASN A 24 89.601 -5.961 7.305 1.00 0.00 O ATOM 384 ND2 ASN A 24 88.736 -7.763 8.181 1.00 0.00 N ATOM 0 H ASN A 24 92.106 -6.868 7.093 1.00 0.00 H new ATOM 0 HA ASN A 24 90.949 -9.315 7.594 1.00 0.00 H new ATOM 0 HB2 ASN A 24 90.399 -7.341 5.332 1.00 0.00 H new ATOM 0 HB3 ASN A 24 89.329 -8.674 5.719 1.00 0.00 H new ATOM 0 HD21 ASN A 24 88.314 -7.220 8.934 1.00 0.00 H new ATOM 0 HD22 ASN A 24 88.604 -8.774 8.146 1.00 0.00 H new ATOM 391 N ILE A 25 91.080 -10.919 5.542 1.00 0.00 N ATOM 392 CA ILE A 25 91.507 -11.933 4.539 1.00 0.00 C ATOM 393 C ILE A 25 90.978 -11.535 3.167 1.00 0.00 C ATOM 394 O ILE A 25 91.250 -12.164 2.163 1.00 0.00 O ATOM 395 CB ILE A 25 90.965 -13.309 4.940 1.00 0.00 C ATOM 396 CG1 ILE A 25 91.947 -13.983 5.905 1.00 0.00 C ATOM 397 CG2 ILE A 25 90.782 -14.182 3.696 1.00 0.00 C ATOM 398 CD1 ILE A 25 93.094 -14.628 5.120 1.00 0.00 C ATOM 0 H ILE A 25 90.273 -11.179 6.109 1.00 0.00 H new ATOM 0 HA ILE A 25 92.595 -11.982 4.501 1.00 0.00 H new ATOM 0 HB ILE A 25 90.000 -13.185 5.431 1.00 0.00 H new ATOM 0 HG12 ILE A 25 92.343 -13.248 6.606 1.00 0.00 H new ATOM 0 HG13 ILE A 25 91.429 -14.739 6.495 1.00 0.00 H new ATOM 0 HG21 ILE A 25 90.396 -15.158 3.990 1.00 0.00 H new ATOM 0 HG22 ILE A 25 90.077 -13.703 3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 25 91.742 -14.307 3.195 1.00 0.00 H new ATOM 0 HD11 ILE A 25 93.787 -15.104 5.814 1.00 0.00 H new ATOM 0 HD12 ILE A 25 92.692 -15.376 4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 25 93.620 -13.862 4.550 1.00 0.00 H new ATOM 410 N VAL A 26 90.240 -10.482 3.130 1.00 0.00 N ATOM 411 CA VAL A 26 89.682 -9.997 1.838 1.00 0.00 C ATOM 412 C VAL A 26 90.723 -9.126 1.144 1.00 0.00 C ATOM 413 O VAL A 26 91.174 -9.424 0.055 1.00 0.00 O ATOM 414 CB VAL A 26 88.417 -9.177 2.101 1.00 0.00 C ATOM 415 CG1 VAL A 26 87.835 -8.696 0.771 1.00 0.00 C ATOM 416 CG2 VAL A 26 87.386 -10.048 2.822 1.00 0.00 C ATOM 0 H VAL A 26 89.990 -9.922 3.945 1.00 0.00 H new ATOM 0 HA VAL A 26 89.431 -10.846 1.203 1.00 0.00 H new ATOM 0 HB VAL A 26 88.665 -8.316 2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 26 86.934 -8.112 0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 26 88.569 -8.076 0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 26 87.587 -9.557 0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 26 86.485 -9.465 3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 26 87.138 -10.909 2.201 1.00 0.00 H new ATOM 0 HG23 VAL A 26 87.800 -10.392 3.770 1.00 0.00 H new ATOM 426 N LYS A 27 91.124 -8.062 1.776 1.00 0.00 N ATOM 427 CA LYS A 27 92.153 -7.183 1.161 1.00 0.00 C ATOM 428 C LYS A 27 93.430 -8.000 0.977 1.00 0.00 C ATOM 429 O LYS A 27 94.210 -7.766 0.076 1.00 0.00 O ATOM 430 CB LYS A 27 92.432 -5.992 2.082 1.00 0.00 C ATOM 431 CG LYS A 27 91.124 -5.249 2.370 1.00 0.00 C ATOM 432 CD LYS A 27 90.867 -4.219 1.268 1.00 0.00 C ATOM 433 CE LYS A 27 89.605 -3.420 1.601 1.00 0.00 C ATOM 434 NZ LYS A 27 89.832 -2.628 2.842 1.00 0.00 N ATOM 0 H LYS A 27 90.785 -7.763 2.690 1.00 0.00 H new ATOM 0 HA LYS A 27 91.802 -6.808 0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 27 92.879 -6.337 3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 27 93.150 -5.318 1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 27 90.296 -5.956 2.422 1.00 0.00 H new ATOM 0 HG3 LYS A 27 91.181 -4.753 3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 27 91.721 -3.548 1.176 1.00 0.00 H new ATOM 0 HD3 LYS A 27 90.750 -4.720 0.307 1.00 0.00 H new ATOM 0 HE2 LYS A 27 89.353 -2.756 0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 27 88.760 -4.095 1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 89.165 -1.830 2.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 89.683 -3.235 3.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 90.807 -2.265 2.849 1.00 0.00 H new ATOM 448 N ARG A 28 93.639 -8.969 1.827 1.00 0.00 N ATOM 449 CA ARG A 28 94.853 -9.820 1.710 1.00 0.00 C ATOM 450 C ARG A 28 94.745 -10.674 0.447 1.00 0.00 C ATOM 451 O ARG A 28 95.648 -10.715 -0.365 1.00 0.00 O ATOM 452 CB ARG A 28 94.956 -10.732 2.935 1.00 0.00 C ATOM 453 CG ARG A 28 96.286 -11.494 2.901 1.00 0.00 C ATOM 454 CD ARG A 28 96.088 -12.897 3.479 1.00 0.00 C ATOM 455 NE ARG A 28 95.494 -13.782 2.439 1.00 0.00 N ATOM 456 CZ ARG A 28 95.679 -15.073 2.496 1.00 0.00 C ATOM 457 NH1 ARG A 28 95.159 -15.848 1.584 1.00 0.00 N ATOM 458 NH2 ARG A 28 96.386 -15.589 3.465 1.00 0.00 N ATOM 0 H ARG A 28 93.017 -9.207 2.600 1.00 0.00 H new ATOM 0 HA ARG A 28 95.740 -9.190 1.653 1.00 0.00 H new ATOM 0 HB2 ARG A 28 94.888 -10.140 3.848 1.00 0.00 H new ATOM 0 HB3 ARG A 28 94.123 -11.435 2.948 1.00 0.00 H new ATOM 0 HG2 ARG A 28 96.653 -11.560 1.877 1.00 0.00 H new ATOM 0 HG3 ARG A 28 97.040 -10.956 3.476 1.00 0.00 H new ATOM 0 HD2 ARG A 28 97.043 -13.302 3.815 1.00 0.00 H new ATOM 0 HD3 ARG A 28 95.436 -12.854 4.351 1.00 0.00 H new ATOM 0 HE ARG A 28 94.942 -13.379 1.682 1.00 0.00 H new ATOM 0 HH11 ARG A 28 94.608 -15.445 0.826 1.00 0.00 H new ATOM 0 HH12 ARG A 28 95.304 -16.857 1.629 1.00 0.00 H new ATOM 0 HH21 ARG A 28 96.794 -14.983 4.177 1.00 0.00 H new ATOM 0 HH22 ARG A 28 96.531 -16.598 3.510 1.00 0.00 H new ATOM 472 N LYS A 29 93.645 -11.357 0.272 1.00 0.00 N ATOM 473 CA LYS A 29 93.484 -12.204 -0.943 1.00 0.00 C ATOM 474 C LYS A 29 93.714 -11.346 -2.188 1.00 0.00 C ATOM 475 O LYS A 29 94.258 -11.800 -3.176 1.00 0.00 O ATOM 476 CB LYS A 29 92.066 -12.790 -0.971 1.00 0.00 C ATOM 477 CG LYS A 29 92.138 -14.320 -1.023 1.00 0.00 C ATOM 478 CD LYS A 29 92.706 -14.762 -2.374 1.00 0.00 C ATOM 479 CE LYS A 29 92.228 -16.180 -2.688 1.00 0.00 C ATOM 480 NZ LYS A 29 92.118 -16.960 -1.423 1.00 0.00 N ATOM 0 H LYS A 29 92.854 -11.364 0.916 1.00 0.00 H new ATOM 0 HA LYS A 29 94.209 -13.018 -0.925 1.00 0.00 H new ATOM 0 HB2 LYS A 29 91.514 -12.473 -0.086 1.00 0.00 H new ATOM 0 HB3 LYS A 29 91.524 -12.413 -1.838 1.00 0.00 H new ATOM 0 HG2 LYS A 29 92.766 -14.692 -0.214 1.00 0.00 H new ATOM 0 HG3 LYS A 29 91.145 -14.746 -0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 29 92.384 -14.076 -3.158 1.00 0.00 H new ATOM 0 HD3 LYS A 29 93.795 -14.731 -2.350 1.00 0.00 H new ATOM 0 HE2 LYS A 29 91.262 -16.146 -3.192 1.00 0.00 H new ATOM 0 HE3 LYS A 29 92.926 -16.668 -3.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 92.197 -17.975 -1.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 92.882 -16.680 -0.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 91.198 -16.770 -0.977 1.00 0.00 H new ATOM 494 N LEU A 30 93.301 -10.109 -2.149 1.00 0.00 N ATOM 495 CA LEU A 30 93.492 -9.221 -3.329 1.00 0.00 C ATOM 496 C LEU A 30 94.866 -8.573 -3.268 1.00 0.00 C ATOM 497 O LEU A 30 95.346 -7.992 -4.221 1.00 0.00 O ATOM 498 CB LEU A 30 92.405 -8.144 -3.352 1.00 0.00 C ATOM 499 CG LEU A 30 91.031 -8.801 -3.220 1.00 0.00 C ATOM 500 CD1 LEU A 30 89.940 -7.754 -3.447 1.00 0.00 C ATOM 501 CD2 LEU A 30 90.895 -9.912 -4.264 1.00 0.00 C ATOM 0 H LEU A 30 92.839 -9.675 -1.350 1.00 0.00 H new ATOM 0 HA LEU A 30 93.419 -9.815 -4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 30 92.561 -7.437 -2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 30 92.460 -7.576 -4.281 1.00 0.00 H new ATOM 0 HG LEU A 30 90.926 -9.224 -2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 30 88.961 -8.223 -3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 30 90.036 -6.962 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 30 90.045 -7.330 -4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 30 89.916 -10.381 -4.171 1.00 0.00 H new ATOM 0 HD22 LEU A 30 91.001 -9.488 -5.263 1.00 0.00 H new ATOM 0 HD23 LEU A 30 91.672 -10.659 -4.103 1.00 0.00 H new ATOM 513 N ALA A 31 95.489 -8.673 -2.147 1.00 0.00 N ATOM 514 CA ALA A 31 96.842 -8.072 -1.974 1.00 0.00 C ATOM 515 C ALA A 31 97.886 -8.940 -2.679 1.00 0.00 C ATOM 516 O ALA A 31 98.723 -8.450 -3.411 1.00 0.00 O ATOM 517 CB ALA A 31 97.181 -7.984 -0.485 1.00 0.00 C ATOM 0 H ALA A 31 95.123 -9.151 -1.323 1.00 0.00 H new ATOM 0 HA ALA A 31 96.846 -7.072 -2.408 1.00 0.00 H new ATOM 0 HB1 ALA A 31 98.171 -7.544 -0.363 1.00 0.00 H new ATOM 0 HB2 ALA A 31 96.442 -7.362 0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 31 97.172 -8.983 -0.050 1.00 0.00 H new ATOM 523 N ALA A 32 97.847 -10.226 -2.460 1.00 0.00 N ATOM 524 CA ALA A 32 98.840 -11.124 -3.114 1.00 0.00 C ATOM 525 C ALA A 32 99.048 -10.690 -4.567 1.00 0.00 C ATOM 526 O ALA A 32 100.046 -11.008 -5.182 1.00 0.00 O ATOM 527 CB ALA A 32 98.324 -12.565 -3.081 1.00 0.00 C ATOM 0 H ALA A 32 97.170 -10.693 -1.856 1.00 0.00 H new ATOM 0 HA ALA A 32 99.788 -11.064 -2.580 1.00 0.00 H new ATOM 0 HB1 ALA A 32 99.050 -13.222 -3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 32 98.179 -12.876 -2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 32 97.375 -12.624 -3.614 1.00 0.00 H new ATOM 533 N HIS A 33 98.117 -9.961 -5.117 1.00 0.00 N ATOM 534 CA HIS A 33 98.265 -9.503 -6.528 1.00 0.00 C ATOM 535 C HIS A 33 99.361 -8.437 -6.598 1.00 0.00 C ATOM 536 O HIS A 33 99.194 -7.400 -7.209 1.00 0.00 O ATOM 537 CB HIS A 33 96.940 -8.911 -7.014 1.00 0.00 C ATOM 538 CG HIS A 33 96.055 -10.014 -7.527 1.00 0.00 C ATOM 539 ND1 HIS A 33 94.932 -10.444 -6.836 1.00 0.00 N ATOM 540 CD2 HIS A 33 96.115 -10.785 -8.663 1.00 0.00 C ATOM 541 CE1 HIS A 33 94.366 -11.431 -7.555 1.00 0.00 C ATOM 542 NE2 HIS A 33 95.048 -11.675 -8.675 1.00 0.00 N ATOM 0 H HIS A 33 97.260 -9.662 -4.651 1.00 0.00 H new ATOM 0 HA HIS A 33 98.536 -10.347 -7.162 1.00 0.00 H new ATOM 0 HB2 HIS A 33 96.445 -8.383 -6.199 1.00 0.00 H new ATOM 0 HB3 HIS A 33 97.123 -8.181 -7.802 1.00 0.00 H new ATOM 0 HD2 HIS A 33 96.874 -10.711 -9.428 1.00 0.00 H new ATOM 0 HE1 HIS A 33 93.471 -11.960 -7.262 1.00 0.00 H new ATOM 0 HE2 HIS A 33 94.832 -12.369 -9.390 1.00 0.00 H new ATOM 550 N ASP A 34 100.477 -8.685 -5.969 1.00 0.00 N ATOM 551 CA ASP A 34 101.589 -7.692 -5.985 1.00 0.00 C ATOM 552 C ASP A 34 101.907 -7.289 -7.431 1.00 0.00 C ATOM 553 O ASP A 34 102.849 -7.769 -8.028 1.00 0.00 O ATOM 554 CB ASP A 34 102.832 -8.312 -5.329 1.00 0.00 C ATOM 555 CG ASP A 34 102.543 -9.766 -4.952 1.00 0.00 C ATOM 556 OD1 ASP A 34 102.238 -10.540 -5.845 1.00 0.00 O ATOM 557 OD2 ASP A 34 102.632 -10.081 -3.777 1.00 0.00 O ATOM 0 H ASP A 34 100.668 -9.537 -5.442 1.00 0.00 H new ATOM 0 HA ASP A 34 101.291 -6.803 -5.429 1.00 0.00 H new ATOM 0 HB2 ASP A 34 103.679 -8.265 -6.014 1.00 0.00 H new ATOM 0 HB3 ASP A 34 103.108 -7.744 -4.441 1.00 0.00 H new ATOM 562 N ASN A 35 101.127 -6.407 -7.994 1.00 0.00 N ATOM 563 CA ASN A 35 101.381 -5.966 -9.393 1.00 0.00 C ATOM 564 C ASN A 35 100.938 -4.508 -9.550 1.00 0.00 C ATOM 565 O ASN A 35 100.309 -4.144 -10.524 1.00 0.00 O ATOM 566 CB ASN A 35 100.590 -6.849 -10.361 1.00 0.00 C ATOM 567 CG ASN A 35 99.111 -6.463 -10.318 1.00 0.00 C ATOM 568 OD1 ASN A 35 98.660 -5.651 -11.102 1.00 0.00 O ATOM 569 ND2 ASN A 35 98.331 -7.014 -9.429 1.00 0.00 N ATOM 0 H ASN A 35 100.322 -5.972 -7.543 1.00 0.00 H new ATOM 0 HA ASN A 35 102.445 -6.052 -9.616 1.00 0.00 H new ATOM 0 HB2 ASN A 35 100.977 -6.733 -11.373 1.00 0.00 H new ATOM 0 HB3 ASN A 35 100.710 -7.898 -10.092 1.00 0.00 H new ATOM 0 HD21 ASN A 35 97.343 -6.763 -9.392 1.00 0.00 H new ATOM 0 HD22 ASN A 35 98.709 -7.695 -8.771 1.00 0.00 H new ATOM 576 N LEU A 36 101.243 -3.671 -8.592 1.00 0.00 N ATOM 577 CA LEU A 36 100.816 -2.247 -8.687 1.00 0.00 C ATOM 578 C LEU A 36 101.926 -1.389 -9.305 1.00 0.00 C ATOM 579 O LEU A 36 103.060 -1.814 -9.448 1.00 0.00 O ATOM 580 CB LEU A 36 100.472 -1.717 -7.288 1.00 0.00 C ATOM 581 CG LEU A 36 101.740 -1.618 -6.429 1.00 0.00 C ATOM 582 CD1 LEU A 36 101.628 -0.417 -5.488 1.00 0.00 C ATOM 583 CD2 LEU A 36 101.901 -2.897 -5.599 1.00 0.00 C ATOM 0 H LEU A 36 101.768 -3.913 -7.751 1.00 0.00 H new ATOM 0 HA LEU A 36 99.936 -2.190 -9.327 1.00 0.00 H new ATOM 0 HB2 LEU A 36 100.002 -0.737 -7.369 1.00 0.00 H new ATOM 0 HB3 LEU A 36 99.750 -2.378 -6.808 1.00 0.00 H new ATOM 0 HG LEU A 36 102.606 -1.494 -7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 36 102.529 -0.347 -4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 36 101.515 0.495 -6.074 1.00 0.00 H new ATOM 0 HD13 LEU A 36 100.760 -0.542 -4.840 1.00 0.00 H new ATOM 0 HD21 LEU A 36 102.802 -2.824 -4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 36 101.034 -3.022 -4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 36 101.982 -3.756 -6.266 1.00 0.00 H new ATOM 595 N LYS A 37 101.598 -0.175 -9.660 1.00 0.00 N ATOM 596 CA LYS A 37 102.609 0.738 -10.264 1.00 0.00 C ATOM 597 C LYS A 37 103.003 1.800 -9.238 1.00 0.00 C ATOM 598 O LYS A 37 102.194 2.244 -8.447 1.00 0.00 O ATOM 599 CB LYS A 37 102.008 1.421 -11.494 1.00 0.00 C ATOM 600 CG LYS A 37 101.784 0.387 -12.604 1.00 0.00 C ATOM 601 CD LYS A 37 102.071 1.021 -13.968 1.00 0.00 C ATOM 602 CE LYS A 37 101.024 2.095 -14.269 1.00 0.00 C ATOM 603 NZ LYS A 37 99.833 1.463 -14.904 1.00 0.00 N ATOM 0 H LYS A 37 100.666 0.225 -9.556 1.00 0.00 H new ATOM 0 HA LYS A 37 103.489 0.166 -10.559 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.063 1.897 -11.232 1.00 0.00 H new ATOM 0 HB3 LYS A 37 102.675 2.208 -11.847 1.00 0.00 H new ATOM 0 HG2 LYS A 37 102.434 -0.474 -12.449 1.00 0.00 H new ATOM 0 HG3 LYS A 37 100.758 0.021 -12.571 1.00 0.00 H new ATOM 0 HD2 LYS A 37 103.068 1.461 -13.973 1.00 0.00 H new ATOM 0 HD3 LYS A 37 102.056 0.257 -14.745 1.00 0.00 H new ATOM 0 HE2 LYS A 37 100.733 2.602 -13.349 1.00 0.00 H new ATOM 0 HE3 LYS A 37 101.444 2.852 -14.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 99.121 2.193 -15.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 100.117 0.998 -15.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 99.429 0.756 -14.257 1.00 0.00 H new ATOM 617 N LEU A 38 104.241 2.214 -9.239 1.00 0.00 N ATOM 618 CA LEU A 38 104.680 3.247 -8.261 1.00 0.00 C ATOM 619 C LEU A 38 105.609 4.250 -8.949 1.00 0.00 C ATOM 620 O LEU A 38 106.613 3.885 -9.531 1.00 0.00 O ATOM 621 CB LEU A 38 105.428 2.577 -7.104 1.00 0.00 C ATOM 622 CG LEU A 38 104.651 1.346 -6.621 1.00 0.00 C ATOM 623 CD1 LEU A 38 105.118 0.103 -7.384 1.00 0.00 C ATOM 624 CD2 LEU A 38 104.895 1.141 -5.122 1.00 0.00 C ATOM 0 H LEU A 38 104.966 1.881 -9.875 1.00 0.00 H new ATOM 0 HA LEU A 38 103.803 3.768 -7.876 1.00 0.00 H new ATOM 0 HB2 LEU A 38 106.427 2.283 -7.427 1.00 0.00 H new ATOM 0 HB3 LEU A 38 105.553 3.283 -6.283 1.00 0.00 H new ATOM 0 HG LEU A 38 103.588 1.502 -6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 38 104.562 -0.768 -7.036 1.00 0.00 H new ATOM 0 HD12 LEU A 38 104.942 0.243 -8.451 1.00 0.00 H new ATOM 0 HD13 LEU A 38 106.183 -0.053 -7.209 1.00 0.00 H new ATOM 0 HD21 LEU A 38 104.342 0.266 -4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 38 105.960 0.990 -4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 38 104.557 2.021 -4.575 1.00 0.00 H new ATOM 636 N THR A 39 105.290 5.513 -8.874 1.00 0.00 N ATOM 637 CA THR A 39 106.161 6.544 -9.507 1.00 0.00 C ATOM 638 C THR A 39 106.985 7.221 -8.412 1.00 0.00 C ATOM 639 O THR A 39 106.454 7.899 -7.555 1.00 0.00 O ATOM 640 CB THR A 39 105.295 7.588 -10.218 1.00 0.00 C ATOM 641 OG1 THR A 39 104.353 6.929 -11.052 1.00 0.00 O ATOM 642 CG2 THR A 39 106.185 8.497 -11.067 1.00 0.00 C ATOM 0 H THR A 39 104.463 5.876 -8.401 1.00 0.00 H new ATOM 0 HA THR A 39 106.821 6.076 -10.238 1.00 0.00 H new ATOM 0 HB THR A 39 104.767 8.190 -9.478 1.00 0.00 H new ATOM 0 HG1 THR A 39 103.796 7.595 -11.507 1.00 0.00 H new ATOM 0 HG21 THR A 39 105.569 9.240 -11.573 1.00 0.00 H new ATOM 0 HG22 THR A 39 106.908 9.001 -10.425 1.00 0.00 H new ATOM 0 HG23 THR A 39 106.714 7.899 -11.809 1.00 0.00 H new ATOM 650 N ILE A 40 108.275 7.027 -8.415 1.00 0.00 N ATOM 651 CA ILE A 40 109.118 7.643 -7.353 1.00 0.00 C ATOM 652 C ILE A 40 109.857 8.869 -7.892 1.00 0.00 C ATOM 653 O ILE A 40 110.596 8.793 -8.854 1.00 0.00 O ATOM 654 CB ILE A 40 110.138 6.616 -6.858 1.00 0.00 C ATOM 655 CG1 ILE A 40 109.397 5.424 -6.247 1.00 0.00 C ATOM 656 CG2 ILE A 40 111.033 7.257 -5.796 1.00 0.00 C ATOM 657 CD1 ILE A 40 108.823 4.540 -7.358 1.00 0.00 C ATOM 0 H ILE A 40 108.780 6.470 -9.105 1.00 0.00 H new ATOM 0 HA ILE A 40 108.472 7.956 -6.533 1.00 0.00 H new ATOM 0 HB ILE A 40 110.752 6.278 -7.693 1.00 0.00 H new ATOM 0 HG12 ILE A 40 110.077 4.843 -5.623 1.00 0.00 H new ATOM 0 HG13 ILE A 40 108.594 5.777 -5.600 1.00 0.00 H new ATOM 0 HG21 ILE A 40 111.760 6.525 -5.443 1.00 0.00 H new ATOM 0 HG22 ILE A 40 111.557 8.110 -6.228 1.00 0.00 H new ATOM 0 HG23 ILE A 40 110.421 7.593 -4.959 1.00 0.00 H new ATOM 0 HD11 ILE A 40 108.297 3.694 -6.915 1.00 0.00 H new ATOM 0 HD12 ILE A 40 108.128 5.122 -7.964 1.00 0.00 H new ATOM 0 HD13 ILE A 40 109.634 4.174 -7.987 1.00 0.00 H new ATOM 669 N THR A 41 109.672 9.996 -7.260 1.00 0.00 N ATOM 670 CA THR A 41 110.365 11.235 -7.698 1.00 0.00 C ATOM 671 C THR A 41 111.263 11.714 -6.556 1.00 0.00 C ATOM 672 O THR A 41 110.992 11.457 -5.400 1.00 0.00 O ATOM 673 CB THR A 41 109.332 12.313 -8.029 1.00 0.00 C ATOM 674 OG1 THR A 41 108.153 11.700 -8.531 1.00 0.00 O ATOM 675 CG2 THR A 41 109.902 13.265 -9.082 1.00 0.00 C ATOM 0 H THR A 41 109.063 10.109 -6.450 1.00 0.00 H new ATOM 0 HA THR A 41 110.963 11.037 -8.587 1.00 0.00 H new ATOM 0 HB THR A 41 109.093 12.875 -7.126 1.00 0.00 H new ATOM 0 HG1 THR A 41 107.490 12.390 -8.742 1.00 0.00 H new ATOM 0 HG21 THR A 41 109.164 14.032 -9.316 1.00 0.00 H new ATOM 0 HG22 THR A 41 110.805 13.736 -8.695 1.00 0.00 H new ATOM 0 HG23 THR A 41 110.143 12.706 -9.986 1.00 0.00 H new ATOM 683 N GLN A 42 112.332 12.396 -6.860 1.00 0.00 N ATOM 684 CA GLN A 42 113.239 12.869 -5.774 1.00 0.00 C ATOM 685 C GLN A 42 113.570 14.351 -5.971 1.00 0.00 C ATOM 686 O GLN A 42 113.804 14.802 -7.075 1.00 0.00 O ATOM 687 CB GLN A 42 114.533 12.055 -5.808 1.00 0.00 C ATOM 688 CG GLN A 42 115.300 12.365 -7.095 1.00 0.00 C ATOM 689 CD GLN A 42 116.322 11.258 -7.361 1.00 0.00 C ATOM 690 OE1 GLN A 42 116.331 10.248 -6.685 1.00 0.00 O ATOM 691 NE2 GLN A 42 117.189 11.407 -8.326 1.00 0.00 N ATOM 0 H GLN A 42 112.617 12.646 -7.807 1.00 0.00 H new ATOM 0 HA GLN A 42 112.742 12.739 -4.813 1.00 0.00 H new ATOM 0 HB2 GLN A 42 115.148 12.293 -4.940 1.00 0.00 H new ATOM 0 HB3 GLN A 42 114.306 10.990 -5.755 1.00 0.00 H new ATOM 0 HG2 GLN A 42 114.608 12.444 -7.933 1.00 0.00 H new ATOM 0 HG3 GLN A 42 115.805 13.327 -7.007 1.00 0.00 H new ATOM 0 HE21 GLN A 42 117.181 12.255 -8.893 1.00 0.00 H new ATOM 0 HE22 GLN A 42 117.875 10.675 -8.513 1.00 0.00 H new ATOM 700 N GLU A 43 113.602 15.111 -4.906 1.00 0.00 N ATOM 701 CA GLU A 43 113.932 16.559 -5.034 1.00 0.00 C ATOM 702 C GLU A 43 114.911 16.952 -3.926 1.00 0.00 C ATOM 703 O GLU A 43 114.537 17.538 -2.930 1.00 0.00 O ATOM 704 CB GLU A 43 112.656 17.397 -4.907 1.00 0.00 C ATOM 705 CG GLU A 43 111.590 16.863 -5.865 1.00 0.00 C ATOM 706 CD GLU A 43 111.977 17.211 -7.304 1.00 0.00 C ATOM 707 OE1 GLU A 43 112.339 16.304 -8.036 1.00 0.00 O ATOM 708 OE2 GLU A 43 111.907 18.379 -7.650 1.00 0.00 O ATOM 0 H GLU A 43 113.414 14.791 -3.956 1.00 0.00 H new ATOM 0 HA GLU A 43 114.384 16.742 -6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 43 112.287 17.362 -3.882 1.00 0.00 H new ATOM 0 HB3 GLU A 43 112.871 18.441 -5.133 1.00 0.00 H new ATOM 0 HG2 GLU A 43 111.494 15.783 -5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 43 110.619 17.296 -5.623 1.00 0.00 H new ATOM 715 N GLY A 44 116.166 16.637 -4.098 1.00 0.00 N ATOM 716 CA GLY A 44 117.177 16.995 -3.063 1.00 0.00 C ATOM 717 C GLY A 44 116.784 16.399 -1.707 1.00 0.00 C ATOM 718 O GLY A 44 117.180 15.304 -1.362 1.00 0.00 O ATOM 0 H GLY A 44 116.535 16.146 -4.912 1.00 0.00 H new ATOM 0 HA2 GLY A 44 118.158 16.625 -3.360 1.00 0.00 H new ATOM 0 HA3 GLY A 44 117.256 18.079 -2.982 1.00 0.00 H new ATOM 722 N ASN A 45 116.021 17.122 -0.932 1.00 0.00 N ATOM 723 CA ASN A 45 115.612 16.615 0.413 1.00 0.00 C ATOM 724 C ASN A 45 114.094 16.458 0.476 1.00 0.00 C ATOM 725 O ASN A 45 113.495 16.556 1.528 1.00 0.00 O ATOM 726 CB ASN A 45 116.068 17.601 1.491 1.00 0.00 C ATOM 727 CG ASN A 45 115.274 18.902 1.362 1.00 0.00 C ATOM 728 OD1 ASN A 45 114.516 19.255 2.243 1.00 0.00 O ATOM 729 ND2 ASN A 45 115.417 19.636 0.293 1.00 0.00 N ATOM 0 H ASN A 45 115.661 18.046 -1.172 1.00 0.00 H new ATOM 0 HA ASN A 45 116.077 15.644 0.583 1.00 0.00 H new ATOM 0 HB2 ASN A 45 115.919 17.169 2.480 1.00 0.00 H new ATOM 0 HB3 ASN A 45 117.134 17.802 1.388 1.00 0.00 H new ATOM 0 HD21 ASN A 45 114.892 20.506 0.198 1.00 0.00 H new ATOM 0 HD22 ASN A 45 116.053 19.340 -0.447 1.00 0.00 H new ATOM 736 N LYS A 46 113.466 16.201 -0.635 1.00 0.00 N ATOM 737 CA LYS A 46 112.000 16.024 -0.636 1.00 0.00 C ATOM 738 C LYS A 46 111.639 15.078 -1.770 1.00 0.00 C ATOM 739 O LYS A 46 111.742 15.400 -2.936 1.00 0.00 O ATOM 740 CB LYS A 46 111.309 17.375 -0.852 1.00 0.00 C ATOM 741 CG LYS A 46 111.175 18.118 0.488 1.00 0.00 C ATOM 742 CD LYS A 46 112.143 19.305 0.522 1.00 0.00 C ATOM 743 CE LYS A 46 111.541 20.478 -0.255 1.00 0.00 C ATOM 744 NZ LYS A 46 110.214 20.828 0.326 1.00 0.00 N ATOM 0 H LYS A 46 113.914 16.106 -1.547 1.00 0.00 H new ATOM 0 HA LYS A 46 111.672 15.615 0.320 1.00 0.00 H new ATOM 0 HB2 LYS A 46 111.883 17.978 -1.556 1.00 0.00 H new ATOM 0 HB3 LYS A 46 110.324 17.222 -1.293 1.00 0.00 H new ATOM 0 HG2 LYS A 46 110.151 18.468 0.619 1.00 0.00 H new ATOM 0 HG3 LYS A 46 111.388 17.439 1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 46 112.337 19.600 1.553 1.00 0.00 H new ATOM 0 HD3 LYS A 46 113.100 19.020 0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 46 112.208 21.339 -0.210 1.00 0.00 H new ATOM 0 HE3 LYS A 46 111.432 20.214 -1.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 110.100 21.862 0.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 109.460 20.400 -0.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 110.155 20.467 1.300 1.00 0.00 H new ATOM 758 N PHE A 47 111.224 13.909 -1.420 1.00 0.00 N ATOM 759 CA PHE A 47 110.851 12.896 -2.444 1.00 0.00 C ATOM 760 C PHE A 47 109.332 12.851 -2.593 1.00 0.00 C ATOM 761 O PHE A 47 108.604 13.485 -1.855 1.00 0.00 O ATOM 762 CB PHE A 47 111.361 11.522 -2.008 1.00 0.00 C ATOM 763 CG PHE A 47 112.847 11.426 -2.254 1.00 0.00 C ATOM 764 CD1 PHE A 47 113.723 12.302 -1.601 1.00 0.00 C ATOM 765 CD2 PHE A 47 113.351 10.459 -3.133 1.00 0.00 C ATOM 766 CE1 PHE A 47 115.102 12.211 -1.827 1.00 0.00 C ATOM 767 CE2 PHE A 47 114.729 10.368 -3.358 1.00 0.00 C ATOM 768 CZ PHE A 47 115.605 11.243 -2.706 1.00 0.00 C ATOM 0 H PHE A 47 111.123 13.599 -0.454 1.00 0.00 H new ATOM 0 HA PHE A 47 111.299 13.166 -3.400 1.00 0.00 H new ATOM 0 HB2 PHE A 47 111.147 11.363 -0.951 1.00 0.00 H new ATOM 0 HB3 PHE A 47 110.841 10.739 -2.560 1.00 0.00 H new ATOM 0 HD1 PHE A 47 113.335 13.048 -0.923 1.00 0.00 H new ATOM 0 HD2 PHE A 47 112.676 9.783 -3.637 1.00 0.00 H new ATOM 0 HE1 PHE A 47 115.778 12.887 -1.324 1.00 0.00 H new ATOM 0 HE2 PHE A 47 115.117 9.622 -4.036 1.00 0.00 H new ATOM 0 HZ PHE A 47 116.668 11.172 -2.880 1.00 0.00 H new ATOM 778 N THR A 48 108.846 12.098 -3.541 1.00 0.00 N ATOM 779 CA THR A 48 107.382 12.001 -3.738 1.00 0.00 C ATOM 780 C THR A 48 107.059 10.642 -4.353 1.00 0.00 C ATOM 781 O THR A 48 107.247 10.413 -5.532 1.00 0.00 O ATOM 782 CB THR A 48 106.921 13.112 -4.682 1.00 0.00 C ATOM 783 OG1 THR A 48 107.315 14.372 -4.156 1.00 0.00 O ATOM 784 CG2 THR A 48 105.398 13.070 -4.822 1.00 0.00 C ATOM 0 H THR A 48 109.407 11.545 -4.188 1.00 0.00 H new ATOM 0 HA THR A 48 106.869 12.107 -2.782 1.00 0.00 H new ATOM 0 HB THR A 48 107.377 12.967 -5.662 1.00 0.00 H new ATOM 0 HG1 THR A 48 107.022 15.085 -4.761 1.00 0.00 H new ATOM 0 HG21 THR A 48 105.073 13.863 -5.495 1.00 0.00 H new ATOM 0 HG22 THR A 48 105.096 12.104 -5.227 1.00 0.00 H new ATOM 0 HG23 THR A 48 104.939 13.213 -3.844 1.00 0.00 H new ATOM 792 N VAL A 49 106.572 9.744 -3.554 1.00 0.00 N ATOM 793 CA VAL A 49 106.223 8.389 -4.060 1.00 0.00 C ATOM 794 C VAL A 49 104.735 8.350 -4.408 1.00 0.00 C ATOM 795 O VAL A 49 103.885 8.412 -3.541 1.00 0.00 O ATOM 796 CB VAL A 49 106.521 7.350 -2.977 1.00 0.00 C ATOM 797 CG1 VAL A 49 106.291 5.939 -3.530 1.00 0.00 C ATOM 798 CG2 VAL A 49 107.978 7.491 -2.527 1.00 0.00 C ATOM 0 H VAL A 49 106.397 9.889 -2.560 1.00 0.00 H new ATOM 0 HA VAL A 49 106.813 8.166 -4.949 1.00 0.00 H new ATOM 0 HB VAL A 49 105.857 7.514 -2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 49 106.505 5.205 -2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 49 105.254 5.838 -3.849 1.00 0.00 H new ATOM 0 HG13 VAL A 49 106.951 5.770 -4.381 1.00 0.00 H new ATOM 0 HG21 VAL A 49 108.194 6.752 -1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 49 108.639 7.330 -3.379 1.00 0.00 H new ATOM 0 HG23 VAL A 49 108.140 8.492 -2.126 1.00 0.00 H new ATOM 808 N LYS A 50 104.410 8.252 -5.667 1.00 0.00 N ATOM 809 CA LYS A 50 102.973 8.215 -6.062 1.00 0.00 C ATOM 810 C LYS A 50 102.566 6.776 -6.386 1.00 0.00 C ATOM 811 O LYS A 50 102.833 6.274 -7.459 1.00 0.00 O ATOM 812 CB LYS A 50 102.760 9.095 -7.294 1.00 0.00 C ATOM 813 CG LYS A 50 101.311 9.585 -7.329 1.00 0.00 C ATOM 814 CD LYS A 50 100.920 9.922 -8.770 1.00 0.00 C ATOM 815 CE LYS A 50 99.428 10.255 -8.829 1.00 0.00 C ATOM 816 NZ LYS A 50 98.640 8.994 -8.927 1.00 0.00 N ATOM 0 H LYS A 50 105.075 8.196 -6.438 1.00 0.00 H new ATOM 0 HA LYS A 50 102.362 8.587 -5.239 1.00 0.00 H new ATOM 0 HB2 LYS A 50 103.442 9.945 -7.269 1.00 0.00 H new ATOM 0 HB3 LYS A 50 102.986 8.532 -8.199 1.00 0.00 H new ATOM 0 HG2 LYS A 50 100.647 8.818 -6.931 1.00 0.00 H new ATOM 0 HG3 LYS A 50 101.198 10.465 -6.695 1.00 0.00 H new ATOM 0 HD2 LYS A 50 101.507 10.768 -9.129 1.00 0.00 H new ATOM 0 HD3 LYS A 50 101.142 9.079 -9.425 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.134 10.812 -7.940 1.00 0.00 H new ATOM 0 HE3 LYS A 50 99.221 10.893 -9.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 97.635 9.223 -9.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 98.984 8.431 -9.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 98.750 8.447 -8.049 1.00 0.00 H new ATOM 830 N GLU A 51 101.912 6.110 -5.473 1.00 0.00 N ATOM 831 CA GLU A 51 101.483 4.710 -5.740 1.00 0.00 C ATOM 832 C GLU A 51 100.320 4.729 -6.731 1.00 0.00 C ATOM 833 O GLU A 51 99.635 5.722 -6.875 1.00 0.00 O ATOM 834 CB GLU A 51 101.031 4.053 -4.436 1.00 0.00 C ATOM 835 CG GLU A 51 102.187 4.057 -3.436 1.00 0.00 C ATOM 836 CD GLU A 51 101.715 3.469 -2.106 1.00 0.00 C ATOM 837 OE1 GLU A 51 102.530 2.867 -1.424 1.00 0.00 O ATOM 838 OE2 GLU A 51 100.548 3.629 -1.790 1.00 0.00 O ATOM 0 H GLU A 51 101.657 6.475 -4.555 1.00 0.00 H new ATOM 0 HA GLU A 51 102.316 4.143 -6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 51 100.177 4.590 -4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 51 100.704 3.031 -4.626 1.00 0.00 H new ATOM 0 HG2 GLU A 51 103.022 3.475 -3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 51 102.550 5.074 -3.288 1.00 0.00 H new ATOM 845 N SER A 52 100.078 3.640 -7.407 1.00 0.00 N ATOM 846 CA SER A 52 98.957 3.607 -8.372 1.00 0.00 C ATOM 847 C SER A 52 98.586 2.161 -8.660 1.00 0.00 C ATOM 848 O SER A 52 99.281 1.442 -9.351 1.00 0.00 O ATOM 849 CB SER A 52 99.375 4.297 -9.670 1.00 0.00 C ATOM 850 OG SER A 52 100.084 5.490 -9.359 1.00 0.00 O ATOM 0 H SER A 52 100.611 2.774 -7.329 1.00 0.00 H new ATOM 0 HA SER A 52 98.098 4.128 -7.950 1.00 0.00 H new ATOM 0 HB2 SER A 52 100.002 3.632 -10.264 1.00 0.00 H new ATOM 0 HB3 SER A 52 98.496 4.529 -10.272 1.00 0.00 H new ATOM 0 HG SER A 52 99.699 5.900 -8.556 1.00 0.00 H new ATOM 856 N SER A 53 97.478 1.748 -8.139 1.00 0.00 N ATOM 857 CA SER A 53 96.999 0.365 -8.363 1.00 0.00 C ATOM 858 C SER A 53 95.514 0.423 -8.717 1.00 0.00 C ATOM 859 O SER A 53 94.779 1.245 -8.207 1.00 0.00 O ATOM 860 CB SER A 53 97.196 -0.460 -7.088 1.00 0.00 C ATOM 861 OG SER A 53 95.930 -0.889 -6.602 1.00 0.00 O ATOM 0 H SER A 53 96.869 2.321 -7.554 1.00 0.00 H new ATOM 0 HA SER A 53 97.559 -0.102 -9.173 1.00 0.00 H new ATOM 0 HB2 SER A 53 97.830 -1.322 -7.294 1.00 0.00 H new ATOM 0 HB3 SER A 53 97.705 0.136 -6.331 1.00 0.00 H new ATOM 0 HG SER A 53 95.769 -1.815 -6.881 1.00 0.00 H new ATOM 867 N ALA A 54 95.062 -0.435 -9.584 1.00 0.00 N ATOM 868 CA ALA A 54 93.623 -0.415 -9.965 1.00 0.00 C ATOM 869 C ALA A 54 92.757 -0.587 -8.714 1.00 0.00 C ATOM 870 O ALA A 54 91.559 -0.763 -8.801 1.00 0.00 O ATOM 871 CB ALA A 54 93.339 -1.557 -10.942 1.00 0.00 C ATOM 0 H ALA A 54 95.625 -1.149 -10.046 1.00 0.00 H new ATOM 0 HA ALA A 54 93.388 0.538 -10.439 1.00 0.00 H new ATOM 0 HB1 ALA A 54 92.286 -1.543 -11.222 1.00 0.00 H new ATOM 0 HB2 ALA A 54 93.953 -1.434 -11.834 1.00 0.00 H new ATOM 0 HB3 ALA A 54 93.576 -2.509 -10.467 1.00 0.00 H new ATOM 877 N PHE A 55 93.355 -0.562 -7.550 1.00 0.00 N ATOM 878 CA PHE A 55 92.562 -0.749 -6.304 1.00 0.00 C ATOM 879 C PHE A 55 92.536 0.534 -5.462 1.00 0.00 C ATOM 880 O PHE A 55 91.636 0.726 -4.671 1.00 0.00 O ATOM 881 CB PHE A 55 93.181 -1.879 -5.480 1.00 0.00 C ATOM 882 CG PHE A 55 93.574 -3.013 -6.398 1.00 0.00 C ATOM 883 CD1 PHE A 55 94.879 -3.517 -6.367 1.00 0.00 C ATOM 884 CD2 PHE A 55 92.631 -3.560 -7.277 1.00 0.00 C ATOM 885 CE1 PHE A 55 95.243 -4.568 -7.218 1.00 0.00 C ATOM 886 CE2 PHE A 55 92.996 -4.611 -8.128 1.00 0.00 C ATOM 887 CZ PHE A 55 94.302 -5.115 -8.097 1.00 0.00 C ATOM 0 H PHE A 55 94.356 -0.420 -7.412 1.00 0.00 H new ATOM 0 HA PHE A 55 91.538 -0.997 -6.583 1.00 0.00 H new ATOM 0 HB2 PHE A 55 94.055 -1.514 -4.941 1.00 0.00 H new ATOM 0 HB3 PHE A 55 92.469 -2.231 -4.733 1.00 0.00 H new ATOM 0 HD1 PHE A 55 95.605 -3.096 -5.687 1.00 0.00 H new ATOM 0 HD2 PHE A 55 91.623 -3.172 -7.299 1.00 0.00 H new ATOM 0 HE1 PHE A 55 96.250 -4.956 -7.196 1.00 0.00 H new ATOM 0 HE2 PHE A 55 92.270 -5.032 -8.808 1.00 0.00 H new ATOM 0 HZ PHE A 55 94.583 -5.926 -8.752 1.00 0.00 H new ATOM 897 N ARG A 56 93.499 1.412 -5.610 1.00 0.00 N ATOM 898 CA ARG A 56 93.491 2.658 -4.793 1.00 0.00 C ATOM 899 C ARG A 56 94.850 3.342 -4.894 1.00 0.00 C ATOM 900 O ARG A 56 95.725 3.133 -4.078 1.00 0.00 O ATOM 901 CB ARG A 56 93.211 2.329 -3.320 1.00 0.00 C ATOM 902 CG ARG A 56 94.089 1.156 -2.868 1.00 0.00 C ATOM 903 CD ARG A 56 93.333 0.318 -1.835 1.00 0.00 C ATOM 904 NE ARG A 56 93.120 1.125 -0.602 1.00 0.00 N ATOM 905 CZ ARG A 56 92.122 0.852 0.194 1.00 0.00 C ATOM 906 NH1 ARG A 56 91.933 1.562 1.272 1.00 0.00 N ATOM 907 NH2 ARG A 56 91.313 -0.132 -0.090 1.00 0.00 N ATOM 0 H ARG A 56 94.282 1.318 -6.256 1.00 0.00 H new ATOM 0 HA ARG A 56 92.709 3.317 -5.171 1.00 0.00 H new ATOM 0 HB2 ARG A 56 93.410 3.203 -2.700 1.00 0.00 H new ATOM 0 HB3 ARG A 56 92.159 2.078 -3.189 1.00 0.00 H new ATOM 0 HG2 ARG A 56 94.359 0.539 -3.725 1.00 0.00 H new ATOM 0 HG3 ARG A 56 95.019 1.529 -2.439 1.00 0.00 H new ATOM 0 HD2 ARG A 56 92.374 -0.003 -2.243 1.00 0.00 H new ATOM 0 HD3 ARG A 56 93.897 -0.584 -1.599 1.00 0.00 H new ATOM 0 HE ARG A 56 93.754 1.892 -0.379 1.00 0.00 H new ATOM 0 HH11 ARG A 56 92.565 2.331 1.493 1.00 0.00 H new ATOM 0 HH12 ARG A 56 91.153 1.348 1.893 1.00 0.00 H new ATOM 0 HH21 ARG A 56 91.461 -0.687 -0.933 1.00 0.00 H new ATOM 0 HH22 ARG A 56 90.533 -0.346 0.531 1.00 0.00 H new ATOM 921 N ASN A 57 95.032 4.157 -5.888 1.00 0.00 N ATOM 922 CA ASN A 57 96.335 4.859 -6.044 1.00 0.00 C ATOM 923 C ASN A 57 96.571 5.761 -4.831 1.00 0.00 C ATOM 924 O ASN A 57 95.643 6.278 -4.241 1.00 0.00 O ATOM 925 CB ASN A 57 96.306 5.713 -7.314 1.00 0.00 C ATOM 926 CG ASN A 57 95.244 6.805 -7.170 1.00 0.00 C ATOM 927 OD1 ASN A 57 94.112 6.526 -6.827 1.00 0.00 O ATOM 928 ND2 ASN A 57 95.563 8.045 -7.420 1.00 0.00 N ATOM 0 H ASN A 57 94.335 4.370 -6.602 1.00 0.00 H new ATOM 0 HA ASN A 57 97.138 4.126 -6.118 1.00 0.00 H new ATOM 0 HB2 ASN A 57 97.284 6.162 -7.485 1.00 0.00 H new ATOM 0 HB3 ASN A 57 96.086 5.089 -8.180 1.00 0.00 H new ATOM 0 HD21 ASN A 57 94.862 8.780 -7.328 1.00 0.00 H new ATOM 0 HD22 ASN A 57 96.513 8.279 -7.708 1.00 0.00 H new ATOM 935 N ILE A 58 97.805 5.938 -4.441 1.00 0.00 N ATOM 936 CA ILE A 58 98.096 6.786 -3.255 1.00 0.00 C ATOM 937 C ILE A 58 99.324 7.652 -3.512 1.00 0.00 C ATOM 938 O ILE A 58 99.999 7.529 -4.514 1.00 0.00 O ATOM 939 CB ILE A 58 98.374 5.910 -2.045 1.00 0.00 C ATOM 940 CG1 ILE A 58 97.516 4.650 -2.109 1.00 0.00 C ATOM 941 CG2 ILE A 58 98.050 6.683 -0.760 1.00 0.00 C ATOM 942 CD1 ILE A 58 97.502 3.999 -0.730 1.00 0.00 C ATOM 0 H ILE A 58 98.623 5.531 -4.895 1.00 0.00 H new ATOM 0 HA ILE A 58 97.229 7.419 -3.069 1.00 0.00 H new ATOM 0 HB ILE A 58 99.427 5.630 -2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 58 96.501 4.899 -2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 58 97.916 3.958 -2.850 1.00 0.00 H new ATOM 0 HG21 ILE A 58 98.251 6.051 0.105 1.00 0.00 H new ATOM 0 HG22 ILE A 58 98.670 7.578 -0.708 1.00 0.00 H new ATOM 0 HG23 ILE A 58 96.998 6.970 -0.763 1.00 0.00 H new ATOM 0 HD11 ILE A 58 96.892 3.096 -0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 58 98.520 3.740 -0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 58 97.084 4.695 -0.003 1.00 0.00 H new ATOM 954 N GLU A 59 99.613 8.522 -2.591 1.00 0.00 N ATOM 955 CA GLU A 59 100.798 9.412 -2.735 1.00 0.00 C ATOM 956 C GLU A 59 101.341 9.751 -1.347 1.00 0.00 C ATOM 957 O GLU A 59 100.596 9.971 -0.413 1.00 0.00 O ATOM 958 CB GLU A 59 100.392 10.697 -3.463 1.00 0.00 C ATOM 959 CG GLU A 59 99.798 11.692 -2.463 1.00 0.00 C ATOM 960 CD GLU A 59 98.953 12.726 -3.209 1.00 0.00 C ATOM 961 OE1 GLU A 59 97.759 12.509 -3.332 1.00 0.00 O ATOM 962 OE2 GLU A 59 99.515 13.718 -3.644 1.00 0.00 O ATOM 0 H GLU A 59 99.075 8.658 -1.735 1.00 0.00 H new ATOM 0 HA GLU A 59 101.570 8.905 -3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 59 101.259 11.136 -3.956 1.00 0.00 H new ATOM 0 HB3 GLU A 59 99.663 10.470 -4.241 1.00 0.00 H new ATOM 0 HG2 GLU A 59 99.185 11.166 -1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 59 100.596 12.189 -1.911 1.00 0.00 H new ATOM 969 N CYS A 60 102.635 9.792 -1.203 1.00 0.00 N ATOM 970 CA CYS A 60 103.225 10.112 0.127 1.00 0.00 C ATOM 971 C CYS A 60 104.589 10.776 -0.062 1.00 0.00 C ATOM 972 O CYS A 60 105.455 10.256 -0.735 1.00 0.00 O ATOM 973 CB CYS A 60 103.403 8.824 0.934 1.00 0.00 C ATOM 974 SG CYS A 60 101.841 7.910 0.975 1.00 0.00 S ATOM 0 H CYS A 60 103.310 9.618 -1.948 1.00 0.00 H new ATOM 0 HA CYS A 60 102.558 10.790 0.660 1.00 0.00 H new ATOM 0 HB2 CYS A 60 104.184 8.209 0.488 1.00 0.00 H new ATOM 0 HB3 CYS A 60 103.724 9.060 1.948 1.00 0.00 H new ATOM 980 N VAL A 61 104.790 11.918 0.536 1.00 0.00 N ATOM 981 CA VAL A 61 106.101 12.607 0.396 1.00 0.00 C ATOM 982 C VAL A 61 107.132 11.894 1.272 1.00 0.00 C ATOM 983 O VAL A 61 106.801 11.316 2.289 1.00 0.00 O ATOM 984 CB VAL A 61 105.967 14.063 0.844 1.00 0.00 C ATOM 985 CG1 VAL A 61 106.950 14.935 0.059 1.00 0.00 C ATOM 986 CG2 VAL A 61 104.539 14.547 0.583 1.00 0.00 C ATOM 0 H VAL A 61 104.103 12.402 1.114 1.00 0.00 H new ATOM 0 HA VAL A 61 106.421 12.582 -0.646 1.00 0.00 H new ATOM 0 HB VAL A 61 106.189 14.135 1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 61 106.853 15.972 0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 61 107.968 14.592 0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 61 106.730 14.863 -1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 61 104.443 15.585 0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 61 104.319 14.473 -0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 61 103.837 13.929 1.143 1.00 0.00 H new ATOM 996 N PHE A 62 108.379 11.927 0.889 1.00 0.00 N ATOM 997 CA PHE A 62 109.426 11.251 1.703 1.00 0.00 C ATOM 998 C PHE A 62 110.607 12.204 1.897 1.00 0.00 C ATOM 999 O PHE A 62 111.263 12.603 0.955 1.00 0.00 O ATOM 1000 CB PHE A 62 109.874 9.965 0.988 1.00 0.00 C ATOM 1001 CG PHE A 62 111.356 9.727 1.190 1.00 0.00 C ATOM 1002 CD1 PHE A 62 111.932 9.899 2.454 1.00 0.00 C ATOM 1003 CD2 PHE A 62 112.152 9.328 0.108 1.00 0.00 C ATOM 1004 CE1 PHE A 62 113.302 9.675 2.637 1.00 0.00 C ATOM 1005 CE2 PHE A 62 113.522 9.104 0.291 1.00 0.00 C ATOM 1006 CZ PHE A 62 114.096 9.278 1.556 1.00 0.00 C ATOM 0 H PHE A 62 108.717 12.393 0.047 1.00 0.00 H new ATOM 0 HA PHE A 62 109.028 10.984 2.682 1.00 0.00 H new ATOM 0 HB2 PHE A 62 109.309 9.115 1.370 1.00 0.00 H new ATOM 0 HB3 PHE A 62 109.655 10.040 -0.077 1.00 0.00 H new ATOM 0 HD1 PHE A 62 111.319 10.205 3.289 1.00 0.00 H new ATOM 0 HD2 PHE A 62 111.709 9.193 -0.868 1.00 0.00 H new ATOM 0 HE1 PHE A 62 113.746 9.809 3.613 1.00 0.00 H new ATOM 0 HE2 PHE A 62 114.136 8.797 -0.543 1.00 0.00 H new ATOM 0 HZ PHE A 62 115.153 9.106 1.697 1.00 0.00 H new ATOM 1016 N GLU A 63 110.877 12.573 3.119 1.00 0.00 N ATOM 1017 CA GLU A 63 112.010 13.500 3.397 1.00 0.00 C ATOM 1018 C GLU A 63 112.931 12.864 4.441 1.00 0.00 C ATOM 1019 O GLU A 63 112.598 11.864 5.045 1.00 0.00 O ATOM 1020 CB GLU A 63 111.462 14.826 3.930 1.00 0.00 C ATOM 1021 CG GLU A 63 112.622 15.739 4.333 1.00 0.00 C ATOM 1022 CD GLU A 63 112.144 17.192 4.348 1.00 0.00 C ATOM 1023 OE1 GLU A 63 112.982 18.069 4.486 1.00 0.00 O ATOM 1024 OE2 GLU A 63 110.950 17.404 4.222 1.00 0.00 O ATOM 0 H GLU A 63 110.357 12.270 3.943 1.00 0.00 H new ATOM 0 HA GLU A 63 112.571 13.686 2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 63 110.853 15.311 3.168 1.00 0.00 H new ATOM 0 HB3 GLU A 63 110.815 14.644 4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 63 112.996 15.457 5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 63 113.450 15.624 3.633 1.00 0.00 H new ATOM 1031 N LEU A 64 114.089 13.427 4.653 1.00 0.00 N ATOM 1032 CA LEU A 64 115.028 12.841 5.649 1.00 0.00 C ATOM 1033 C LEU A 64 114.988 13.644 6.951 1.00 0.00 C ATOM 1034 O LEU A 64 115.132 14.850 6.955 1.00 0.00 O ATOM 1035 CB LEU A 64 116.447 12.869 5.083 1.00 0.00 C ATOM 1036 CG LEU A 64 116.478 12.134 3.744 1.00 0.00 C ATOM 1037 CD1 LEU A 64 117.650 12.648 2.908 1.00 0.00 C ATOM 1038 CD2 LEU A 64 116.647 10.633 3.992 1.00 0.00 C ATOM 0 H LEU A 64 114.424 14.266 4.180 1.00 0.00 H new ATOM 0 HA LEU A 64 114.730 11.813 5.856 1.00 0.00 H new ATOM 0 HB2 LEU A 64 116.777 13.900 4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 64 117.138 12.400 5.783 1.00 0.00 H new ATOM 0 HG LEU A 64 115.545 12.312 3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 64 117.673 12.124 1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 64 117.531 13.717 2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 64 118.583 12.470 3.442 1.00 0.00 H new ATOM 0 HD21 LEU A 64 116.669 10.107 3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 64 117.580 10.455 4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 64 115.812 10.267 4.589 1.00 0.00 H new ATOM 1050 N GLY A 65 114.811 12.976 8.059 1.00 0.00 N ATOM 1051 CA GLY A 65 114.782 13.690 9.369 1.00 0.00 C ATOM 1052 C GLY A 65 113.443 14.412 9.554 1.00 0.00 C ATOM 1053 O GLY A 65 113.355 15.395 10.263 1.00 0.00 O ATOM 0 H GLY A 65 114.685 11.965 8.114 1.00 0.00 H new ATOM 0 HA2 GLY A 65 114.935 12.979 10.181 1.00 0.00 H new ATOM 0 HA3 GLY A 65 115.600 14.409 9.417 1.00 0.00 H new ATOM 1057 N VAL A 66 112.402 13.933 8.934 1.00 0.00 N ATOM 1058 CA VAL A 66 111.077 14.594 9.090 1.00 0.00 C ATOM 1059 C VAL A 66 109.979 13.530 9.098 1.00 0.00 C ATOM 1060 O VAL A 66 109.611 13.001 8.070 1.00 0.00 O ATOM 1061 CB VAL A 66 110.846 15.561 7.928 1.00 0.00 C ATOM 1062 CG1 VAL A 66 109.403 16.064 7.961 1.00 0.00 C ATOM 1063 CG2 VAL A 66 111.803 16.749 8.056 1.00 0.00 C ATOM 0 H VAL A 66 112.411 13.114 8.327 1.00 0.00 H new ATOM 0 HA VAL A 66 111.054 15.148 10.028 1.00 0.00 H new ATOM 0 HB VAL A 66 111.029 15.046 6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 66 109.239 16.753 7.133 1.00 0.00 H new ATOM 0 HG12 VAL A 66 108.721 15.219 7.870 1.00 0.00 H new ATOM 0 HG13 VAL A 66 109.219 16.579 8.904 1.00 0.00 H new ATOM 0 HG21 VAL A 66 111.639 17.439 7.228 1.00 0.00 H new ATOM 0 HG22 VAL A 66 111.620 17.264 8.999 1.00 0.00 H new ATOM 0 HG23 VAL A 66 112.832 16.391 8.032 1.00 0.00 H new ATOM 1073 N THR A 67 109.458 13.206 10.250 1.00 0.00 N ATOM 1074 CA THR A 67 108.392 12.171 10.321 1.00 0.00 C ATOM 1075 C THR A 67 107.199 12.592 9.477 1.00 0.00 C ATOM 1076 O THR A 67 106.799 13.739 9.451 1.00 0.00 O ATOM 1077 CB THR A 67 107.937 11.998 11.767 1.00 0.00 C ATOM 1078 OG1 THR A 67 109.015 12.299 12.643 1.00 0.00 O ATOM 1079 CG2 THR A 67 107.473 10.557 11.996 1.00 0.00 C ATOM 0 H THR A 67 109.726 13.615 11.145 1.00 0.00 H new ATOM 0 HA THR A 67 108.793 11.230 9.943 1.00 0.00 H new ATOM 0 HB THR A 67 107.107 12.676 11.967 1.00 0.00 H new ATOM 0 HG1 THR A 67 108.722 12.190 13.572 1.00 0.00 H new ATOM 0 HG21 THR A 67 107.149 10.439 13.030 1.00 0.00 H new ATOM 0 HG22 THR A 67 106.642 10.332 11.328 1.00 0.00 H new ATOM 0 HG23 THR A 67 108.297 9.873 11.794 1.00 0.00 H new ATOM 1087 N PHE A 68 106.617 11.647 8.815 1.00 0.00 N ATOM 1088 CA PHE A 68 105.420 11.927 7.983 1.00 0.00 C ATOM 1089 C PHE A 68 104.547 10.681 8.009 1.00 0.00 C ATOM 1090 O PHE A 68 104.801 9.767 8.767 1.00 0.00 O ATOM 1091 CB PHE A 68 105.818 12.261 6.543 1.00 0.00 C ATOM 1092 CG PHE A 68 107.148 11.632 6.216 1.00 0.00 C ATOM 1093 CD1 PHE A 68 107.255 10.242 6.104 1.00 0.00 C ATOM 1094 CD2 PHE A 68 108.270 12.442 6.017 1.00 0.00 C ATOM 1095 CE1 PHE A 68 108.491 9.661 5.792 1.00 0.00 C ATOM 1096 CE2 PHE A 68 109.504 11.862 5.708 1.00 0.00 C ATOM 1097 CZ PHE A 68 109.612 10.472 5.596 1.00 0.00 C ATOM 0 H PHE A 68 106.922 10.674 8.812 1.00 0.00 H new ATOM 0 HA PHE A 68 104.882 12.788 8.379 1.00 0.00 H new ATOM 0 HB2 PHE A 68 105.056 11.899 5.853 1.00 0.00 H new ATOM 0 HB3 PHE A 68 105.876 13.342 6.415 1.00 0.00 H new ATOM 0 HD1 PHE A 68 106.387 9.618 6.258 1.00 0.00 H new ATOM 0 HD2 PHE A 68 108.184 13.515 6.102 1.00 0.00 H new ATOM 0 HE1 PHE A 68 108.577 8.588 5.703 1.00 0.00 H new ATOM 0 HE2 PHE A 68 110.372 12.486 5.556 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.565 10.024 5.357 1.00 0.00 H new ATOM 1107 N ASN A 69 103.522 10.625 7.211 1.00 0.00 N ATOM 1108 CA ASN A 69 102.655 9.421 7.239 1.00 0.00 C ATOM 1109 C ASN A 69 102.245 9.015 5.825 1.00 0.00 C ATOM 1110 O ASN A 69 102.087 9.836 4.944 1.00 0.00 O ATOM 1111 CB ASN A 69 101.405 9.714 8.069 1.00 0.00 C ATOM 1112 CG ASN A 69 100.624 10.863 7.427 1.00 0.00 C ATOM 1113 OD1 ASN A 69 100.378 10.856 6.237 1.00 0.00 O ATOM 1114 ND2 ASN A 69 100.220 11.857 8.170 1.00 0.00 N ATOM 0 H ASN A 69 103.250 11.351 6.548 1.00 0.00 H new ATOM 0 HA ASN A 69 103.214 8.600 7.687 1.00 0.00 H new ATOM 0 HB2 ASN A 69 100.779 8.824 8.130 1.00 0.00 H new ATOM 0 HB3 ASN A 69 101.686 9.976 9.089 1.00 0.00 H new ATOM 0 HD21 ASN A 69 99.698 12.627 7.752 1.00 0.00 H new ATOM 0 HD22 ASN A 69 100.426 11.864 9.169 1.00 0.00 H new ATOM 1121 N CYS A 70 102.051 7.742 5.620 1.00 0.00 N ATOM 1122 CA CYS A 70 101.627 7.239 4.292 1.00 0.00 C ATOM 1123 C CYS A 70 100.583 6.155 4.526 1.00 0.00 C ATOM 1124 O CYS A 70 100.364 5.739 5.646 1.00 0.00 O ATOM 1125 CB CYS A 70 102.828 6.653 3.546 1.00 0.00 C ATOM 1126 SG CYS A 70 102.319 6.166 1.878 1.00 0.00 S ATOM 0 H CYS A 70 102.171 7.021 6.331 1.00 0.00 H new ATOM 0 HA CYS A 70 101.214 8.048 3.690 1.00 0.00 H new ATOM 0 HB2 CYS A 70 103.631 7.388 3.493 1.00 0.00 H new ATOM 0 HB3 CYS A 70 103.220 5.791 4.085 1.00 0.00 H new ATOM 1132 N ASN A 71 99.927 5.692 3.502 1.00 0.00 N ATOM 1133 CA ASN A 71 98.896 4.640 3.722 1.00 0.00 C ATOM 1134 C ASN A 71 99.168 3.434 2.826 1.00 0.00 C ATOM 1135 O ASN A 71 99.561 3.566 1.684 1.00 0.00 O ATOM 1136 CB ASN A 71 97.511 5.208 3.409 1.00 0.00 C ATOM 1137 CG ASN A 71 97.146 6.268 4.450 1.00 0.00 C ATOM 1138 OD1 ASN A 71 98.004 6.981 4.933 1.00 0.00 O ATOM 1139 ND2 ASN A 71 95.902 6.402 4.819 1.00 0.00 N ATOM 0 H ASN A 71 100.056 5.990 2.535 1.00 0.00 H new ATOM 0 HA ASN A 71 98.935 4.321 4.763 1.00 0.00 H new ATOM 0 HB2 ASN A 71 97.503 5.646 2.411 1.00 0.00 H new ATOM 0 HB3 ASN A 71 96.769 4.409 3.413 1.00 0.00 H new ATOM 0 HD21 ASN A 71 95.649 7.105 5.513 1.00 0.00 H new ATOM 0 HD22 ASN A 71 95.182 5.804 4.413 1.00 0.00 H new ATOM 1146 N LEU A 72 98.953 2.254 3.342 1.00 0.00 N ATOM 1147 CA LEU A 72 99.189 1.030 2.529 1.00 0.00 C ATOM 1148 C LEU A 72 97.879 0.608 1.858 1.00 0.00 C ATOM 1149 O LEU A 72 96.806 0.787 2.402 1.00 0.00 O ATOM 1150 CB LEU A 72 99.683 -0.099 3.436 1.00 0.00 C ATOM 1151 CG LEU A 72 101.034 0.285 4.043 1.00 0.00 C ATOM 1152 CD1 LEU A 72 101.450 -0.770 5.069 1.00 0.00 C ATOM 1153 CD2 LEU A 72 102.089 0.360 2.935 1.00 0.00 C ATOM 0 H LEU A 72 98.624 2.086 4.293 1.00 0.00 H new ATOM 0 HA LEU A 72 99.940 1.238 1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 72 98.958 -0.287 4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 72 99.779 -1.023 2.865 1.00 0.00 H new ATOM 0 HG LEU A 72 100.949 1.256 4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 72 102.412 -0.497 5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 72 100.700 -0.826 5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 72 101.534 -1.740 4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 72 103.052 0.634 3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 72 102.173 -0.611 2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 72 101.794 1.111 2.202 1.00 0.00 H new ATOM 1165 N ALA A 73 97.962 0.050 0.680 1.00 0.00 N ATOM 1166 CA ALA A 73 96.727 -0.384 -0.035 1.00 0.00 C ATOM 1167 C ALA A 73 95.784 -1.085 0.944 1.00 0.00 C ATOM 1168 O ALA A 73 94.581 -1.073 0.776 1.00 0.00 O ATOM 1169 CB ALA A 73 97.102 -1.350 -1.160 1.00 0.00 C ATOM 0 H ALA A 73 98.834 -0.124 0.181 1.00 0.00 H new ATOM 0 HA ALA A 73 96.228 0.489 -0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 73 96.200 -1.667 -1.683 1.00 0.00 H new ATOM 0 HB2 ALA A 73 97.771 -0.850 -1.861 1.00 0.00 H new ATOM 0 HB3 ALA A 73 97.603 -2.222 -0.739 1.00 0.00 H new ATOM 1175 N ASP A 74 96.318 -1.697 1.964 1.00 0.00 N ATOM 1176 CA ASP A 74 95.446 -2.395 2.948 1.00 0.00 C ATOM 1177 C ASP A 74 94.667 -1.358 3.757 1.00 0.00 C ATOM 1178 O ASP A 74 94.171 -1.636 4.831 1.00 0.00 O ATOM 1179 CB ASP A 74 96.311 -3.235 3.891 1.00 0.00 C ATOM 1180 CG ASP A 74 97.051 -4.305 3.087 1.00 0.00 C ATOM 1181 OD1 ASP A 74 98.265 -4.222 3.004 1.00 0.00 O ATOM 1182 OD2 ASP A 74 96.390 -5.191 2.569 1.00 0.00 O ATOM 0 H ASP A 74 97.318 -1.744 2.158 1.00 0.00 H new ATOM 0 HA ASP A 74 94.748 -3.046 2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 74 97.025 -2.597 4.411 1.00 0.00 H new ATOM 0 HB3 ASP A 74 95.688 -3.703 4.653 1.00 0.00 H new ATOM 1187 N GLY A 75 94.556 -0.161 3.249 1.00 0.00 N ATOM 1188 CA GLY A 75 93.810 0.897 3.988 1.00 0.00 C ATOM 1189 C GLY A 75 94.498 1.157 5.328 1.00 0.00 C ATOM 1190 O GLY A 75 93.868 1.523 6.300 1.00 0.00 O ATOM 0 H GLY A 75 94.950 0.130 2.354 1.00 0.00 H new ATOM 0 HA2 GLY A 75 93.777 1.814 3.399 1.00 0.00 H new ATOM 0 HA3 GLY A 75 92.778 0.585 4.150 1.00 0.00 H new ATOM 1194 N THR A 76 95.789 0.969 5.386 1.00 0.00 N ATOM 1195 CA THR A 76 96.521 1.198 6.655 1.00 0.00 C ATOM 1196 C THR A 76 97.203 2.565 6.609 1.00 0.00 C ATOM 1197 O THR A 76 97.383 3.143 5.559 1.00 0.00 O ATOM 1198 CB THR A 76 97.579 0.115 6.838 1.00 0.00 C ATOM 1199 OG1 THR A 76 97.301 -0.970 5.965 1.00 0.00 O ATOM 1200 CG2 THR A 76 97.576 -0.376 8.287 1.00 0.00 C ATOM 0 H THR A 76 96.367 0.665 4.602 1.00 0.00 H new ATOM 0 HA THR A 76 95.818 1.166 7.488 1.00 0.00 H new ATOM 0 HB THR A 76 98.560 0.528 6.604 1.00 0.00 H new ATOM 0 HG1 THR A 76 97.981 -1.666 6.081 1.00 0.00 H new ATOM 0 HG21 THR A 76 98.334 -1.149 8.411 1.00 0.00 H new ATOM 0 HG22 THR A 76 97.796 0.458 8.954 1.00 0.00 H new ATOM 0 HG23 THR A 76 96.596 -0.786 8.530 1.00 0.00 H new ATOM 1208 N GLU A 77 97.585 3.077 7.744 1.00 0.00 N ATOM 1209 CA GLU A 77 98.264 4.402 7.784 1.00 0.00 C ATOM 1210 C GLU A 77 99.509 4.303 8.670 1.00 0.00 C ATOM 1211 O GLU A 77 99.414 4.074 9.859 1.00 0.00 O ATOM 1212 CB GLU A 77 97.309 5.450 8.356 1.00 0.00 C ATOM 1213 CG GLU A 77 97.938 6.838 8.222 1.00 0.00 C ATOM 1214 CD GLU A 77 96.868 7.908 8.443 1.00 0.00 C ATOM 1215 OE1 GLU A 77 97.079 9.027 8.008 1.00 0.00 O ATOM 1216 OE2 GLU A 77 95.856 7.589 9.046 1.00 0.00 O ATOM 0 H GLU A 77 97.455 2.632 8.653 1.00 0.00 H new ATOM 0 HA GLU A 77 98.555 4.695 6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 77 96.357 5.418 7.827 1.00 0.00 H new ATOM 0 HB3 GLU A 77 97.099 5.233 9.403 1.00 0.00 H new ATOM 0 HG2 GLU A 77 98.741 6.956 8.949 1.00 0.00 H new ATOM 0 HG3 GLU A 77 98.383 6.953 7.234 1.00 0.00 H new ATOM 1223 N LEU A 78 100.679 4.462 8.103 1.00 0.00 N ATOM 1224 CA LEU A 78 101.926 4.362 8.925 1.00 0.00 C ATOM 1225 C LEU A 78 102.689 5.692 8.899 1.00 0.00 C ATOM 1226 O LEU A 78 102.633 6.431 7.937 1.00 0.00 O ATOM 1227 CB LEU A 78 102.830 3.254 8.365 1.00 0.00 C ATOM 1228 CG LEU A 78 102.105 2.477 7.260 1.00 0.00 C ATOM 1229 CD1 LEU A 78 100.805 1.876 7.807 1.00 0.00 C ATOM 1230 CD2 LEU A 78 101.802 3.411 6.080 1.00 0.00 C ATOM 0 H LEU A 78 100.825 4.656 7.112 1.00 0.00 H new ATOM 0 HA LEU A 78 101.647 4.127 9.952 1.00 0.00 H new ATOM 0 HB2 LEU A 78 103.747 3.690 7.969 1.00 0.00 H new ATOM 0 HB3 LEU A 78 103.120 2.574 9.166 1.00 0.00 H new ATOM 0 HG LEU A 78 102.746 1.667 6.914 1.00 0.00 H new ATOM 0 HD11 LEU A 78 100.297 1.326 7.015 1.00 0.00 H new ATOM 0 HD12 LEU A 78 101.035 1.198 8.629 1.00 0.00 H new ATOM 0 HD13 LEU A 78 100.157 2.676 8.166 1.00 0.00 H new ATOM 0 HD21 LEU A 78 101.287 2.854 5.298 1.00 0.00 H new ATOM 0 HD22 LEU A 78 101.169 4.231 6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 78 102.735 3.813 5.685 1.00 0.00 H new ATOM 1242 N ARG A 79 103.409 5.996 9.951 1.00 0.00 N ATOM 1243 CA ARG A 79 104.184 7.273 9.986 1.00 0.00 C ATOM 1244 C ARG A 79 105.580 7.023 10.562 1.00 0.00 C ATOM 1245 O ARG A 79 105.754 6.235 11.471 1.00 0.00 O ATOM 1246 CB ARG A 79 103.448 8.293 10.858 1.00 0.00 C ATOM 1247 CG ARG A 79 103.451 7.822 12.313 1.00 0.00 C ATOM 1248 CD ARG A 79 102.603 8.770 13.162 1.00 0.00 C ATOM 1249 NE ARG A 79 103.442 9.914 13.619 1.00 0.00 N ATOM 1250 CZ ARG A 79 102.883 11.051 13.932 1.00 0.00 C ATOM 1251 NH1 ARG A 79 103.618 12.051 14.334 1.00 0.00 N ATOM 1252 NH2 ARG A 79 101.587 11.187 13.841 1.00 0.00 N ATOM 0 H ARG A 79 103.493 5.415 10.785 1.00 0.00 H new ATOM 0 HA ARG A 79 104.280 7.660 8.971 1.00 0.00 H new ATOM 0 HB2 ARG A 79 103.929 9.268 10.780 1.00 0.00 H new ATOM 0 HB3 ARG A 79 102.423 8.415 10.507 1.00 0.00 H new ATOM 0 HG2 ARG A 79 103.056 6.808 12.378 1.00 0.00 H new ATOM 0 HG3 ARG A 79 104.472 7.792 12.694 1.00 0.00 H new ATOM 0 HD2 ARG A 79 101.756 9.136 12.582 1.00 0.00 H new ATOM 0 HD3 ARG A 79 102.195 8.239 14.022 1.00 0.00 H new ATOM 0 HE ARG A 79 104.454 9.808 13.687 1.00 0.00 H new ATOM 0 HH11 ARG A 79 104.630 11.944 14.404 1.00 0.00 H new ATOM 0 HH12 ARG A 79 103.181 12.939 14.579 1.00 0.00 H new ATOM 0 HH21 ARG A 79 101.013 10.405 13.526 1.00 0.00 H new ATOM 0 HH22 ARG A 79 101.149 12.075 14.085 1.00 0.00 H new ATOM 1266 N GLY A 80 106.583 7.689 10.039 1.00 0.00 N ATOM 1267 CA GLY A 80 107.954 7.495 10.550 1.00 0.00 C ATOM 1268 C GLY A 80 108.910 8.246 9.632 1.00 0.00 C ATOM 1269 O GLY A 80 108.817 9.445 9.481 1.00 0.00 O ATOM 0 H GLY A 80 106.498 8.360 9.276 1.00 0.00 H new ATOM 0 HA2 GLY A 80 108.036 7.867 11.571 1.00 0.00 H new ATOM 0 HA3 GLY A 80 108.205 6.434 10.576 1.00 0.00 H new ATOM 1273 N THR A 81 109.811 7.552 8.998 1.00 0.00 N ATOM 1274 CA THR A 81 110.762 8.245 8.076 1.00 0.00 C ATOM 1275 C THR A 81 111.829 7.270 7.582 1.00 0.00 C ATOM 1276 O THR A 81 112.130 6.280 8.220 1.00 0.00 O ATOM 1277 CB THR A 81 111.455 9.400 8.815 1.00 0.00 C ATOM 1278 OG1 THR A 81 111.083 9.378 10.186 1.00 0.00 O ATOM 1279 CG2 THR A 81 111.046 10.737 8.196 1.00 0.00 C ATOM 0 H THR A 81 109.933 6.542 9.074 1.00 0.00 H new ATOM 0 HA THR A 81 110.198 8.629 7.226 1.00 0.00 H new ATOM 0 HB THR A 81 112.535 9.282 8.728 1.00 0.00 H new ATOM 0 HG1 THR A 81 110.271 9.911 10.313 1.00 0.00 H new ATOM 0 HG21 THR A 81 111.542 11.550 8.726 1.00 0.00 H new ATOM 0 HG22 THR A 81 111.338 10.757 7.146 1.00 0.00 H new ATOM 0 HG23 THR A 81 109.966 10.859 8.274 1.00 0.00 H new ATOM 1287 N TRP A 82 112.419 7.563 6.455 1.00 0.00 N ATOM 1288 CA TRP A 82 113.489 6.674 5.920 1.00 0.00 C ATOM 1289 C TRP A 82 114.850 7.308 6.193 1.00 0.00 C ATOM 1290 O TRP A 82 115.010 8.511 6.129 1.00 0.00 O ATOM 1291 CB TRP A 82 113.317 6.489 4.410 1.00 0.00 C ATOM 1292 CG TRP A 82 111.873 6.313 4.087 1.00 0.00 C ATOM 1293 CD1 TRP A 82 110.942 7.283 4.183 1.00 0.00 C ATOM 1294 CD2 TRP A 82 111.182 5.123 3.617 1.00 0.00 C ATOM 1295 NE1 TRP A 82 109.717 6.768 3.807 1.00 0.00 N ATOM 1296 CE2 TRP A 82 109.813 5.436 3.448 1.00 0.00 C ATOM 1297 CE3 TRP A 82 111.607 3.814 3.326 1.00 0.00 C ATOM 1298 CZ2 TRP A 82 108.896 4.482 3.002 1.00 0.00 C ATOM 1299 CZ3 TRP A 82 110.688 2.852 2.879 1.00 0.00 C ATOM 1300 CH2 TRP A 82 109.335 3.185 2.717 1.00 0.00 C ATOM 0 H TRP A 82 112.206 8.379 5.882 1.00 0.00 H new ATOM 0 HA TRP A 82 113.422 5.702 6.409 1.00 0.00 H new ATOM 0 HB2 TRP A 82 113.715 7.354 3.880 1.00 0.00 H new ATOM 0 HB3 TRP A 82 113.883 5.621 4.073 1.00 0.00 H new ATOM 0 HD1 TRP A 82 111.124 8.298 4.502 1.00 0.00 H new ATOM 0 HE1 TRP A 82 108.849 7.304 3.796 1.00 0.00 H new ATOM 0 HE3 TRP A 82 112.647 3.548 3.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 107.856 4.744 2.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 111.024 1.850 2.659 1.00 0.00 H new ATOM 0 HH2 TRP A 82 108.633 2.440 2.372 1.00 0.00 H new ATOM 1311 N SER A 83 115.835 6.510 6.495 1.00 0.00 N ATOM 1312 CA SER A 83 117.185 7.072 6.772 1.00 0.00 C ATOM 1313 C SER A 83 118.230 6.139 6.174 1.00 0.00 C ATOM 1314 O SER A 83 117.976 4.980 5.961 1.00 0.00 O ATOM 1315 CB SER A 83 117.398 7.179 8.283 1.00 0.00 C ATOM 1316 OG SER A 83 118.779 7.385 8.549 1.00 0.00 O ATOM 0 H SER A 83 115.764 5.495 6.562 1.00 0.00 H new ATOM 0 HA SER A 83 117.273 8.065 6.331 1.00 0.00 H new ATOM 0 HB2 SER A 83 116.811 8.004 8.687 1.00 0.00 H new ATOM 0 HB3 SER A 83 117.052 6.270 8.776 1.00 0.00 H new ATOM 0 HG SER A 83 118.919 7.456 9.516 1.00 0.00 H new ATOM 1322 N LEU A 84 119.401 6.616 5.887 1.00 0.00 N ATOM 1323 CA LEU A 84 120.413 5.704 5.313 1.00 0.00 C ATOM 1324 C LEU A 84 121.185 5.062 6.468 1.00 0.00 C ATOM 1325 O LEU A 84 121.630 5.731 7.380 1.00 0.00 O ATOM 1326 CB LEU A 84 121.352 6.498 4.392 1.00 0.00 C ATOM 1327 CG LEU A 84 122.807 6.132 4.680 1.00 0.00 C ATOM 1328 CD1 LEU A 84 123.069 4.677 4.273 1.00 0.00 C ATOM 1329 CD2 LEU A 84 123.730 7.064 3.889 1.00 0.00 C ATOM 0 H LEU A 84 119.698 7.582 6.022 1.00 0.00 H new ATOM 0 HA LEU A 84 119.941 4.922 4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 84 121.116 6.286 3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 84 121.202 7.567 4.542 1.00 0.00 H new ATOM 0 HG LEU A 84 123.004 6.243 5.746 1.00 0.00 H new ATOM 0 HD11 LEU A 84 124.108 4.423 4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 84 122.413 4.017 4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 84 122.872 4.556 3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 84 124.769 6.805 4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 84 123.531 6.955 2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 84 123.548 8.096 4.188 1.00 0.00 H new ATOM 1341 N GLU A 85 121.343 3.771 6.440 1.00 0.00 N ATOM 1342 CA GLU A 85 122.079 3.082 7.526 1.00 0.00 C ATOM 1343 C GLU A 85 123.014 2.057 6.890 1.00 0.00 C ATOM 1344 O GLU A 85 122.593 1.207 6.131 1.00 0.00 O ATOM 1345 CB GLU A 85 121.076 2.390 8.459 1.00 0.00 C ATOM 1346 CG GLU A 85 121.566 0.985 8.812 1.00 0.00 C ATOM 1347 CD GLU A 85 120.719 0.417 9.952 1.00 0.00 C ATOM 1348 OE1 GLU A 85 119.820 1.112 10.399 1.00 0.00 O ATOM 1349 OE2 GLU A 85 120.982 -0.702 10.359 1.00 0.00 O ATOM 0 H GLU A 85 120.990 3.160 5.704 1.00 0.00 H new ATOM 0 HA GLU A 85 122.661 3.793 8.112 1.00 0.00 H new ATOM 0 HB2 GLU A 85 120.949 2.978 9.368 1.00 0.00 H new ATOM 0 HB3 GLU A 85 120.100 2.332 7.977 1.00 0.00 H new ATOM 0 HG2 GLU A 85 121.500 0.336 7.939 1.00 0.00 H new ATOM 0 HG3 GLU A 85 122.615 1.018 9.107 1.00 0.00 H new ATOM 1356 N GLY A 86 124.281 2.133 7.176 1.00 0.00 N ATOM 1357 CA GLY A 86 125.228 1.168 6.562 1.00 0.00 C ATOM 1358 C GLY A 86 125.183 1.340 5.044 1.00 0.00 C ATOM 1359 O GLY A 86 125.630 2.337 4.512 1.00 0.00 O ATOM 0 H GLY A 86 124.700 2.818 7.805 1.00 0.00 H new ATOM 0 HA2 GLY A 86 126.238 1.341 6.933 1.00 0.00 H new ATOM 0 HA3 GLY A 86 124.959 0.148 6.835 1.00 0.00 H new ATOM 1363 N ASN A 87 124.648 0.380 4.340 1.00 0.00 N ATOM 1364 CA ASN A 87 124.576 0.497 2.855 1.00 0.00 C ATOM 1365 C ASN A 87 123.133 0.315 2.374 1.00 0.00 C ATOM 1366 O ASN A 87 122.896 -0.229 1.314 1.00 0.00 O ATOM 1367 CB ASN A 87 125.463 -0.575 2.217 1.00 0.00 C ATOM 1368 CG ASN A 87 126.731 -0.754 3.055 1.00 0.00 C ATOM 1369 OD1 ASN A 87 126.780 -1.594 3.931 1.00 0.00 O ATOM 1370 ND2 ASN A 87 127.765 0.005 2.820 1.00 0.00 N ATOM 0 H ASN A 87 124.258 -0.479 4.728 1.00 0.00 H new ATOM 0 HA ASN A 87 124.923 1.488 2.562 1.00 0.00 H new ATOM 0 HB2 ASN A 87 124.921 -1.519 2.152 1.00 0.00 H new ATOM 0 HB3 ASN A 87 125.725 -0.287 1.199 1.00 0.00 H new ATOM 0 HD21 ASN A 87 128.615 -0.107 3.372 1.00 0.00 H new ATOM 0 HD22 ASN A 87 127.723 0.710 2.084 1.00 0.00 H new ATOM 1377 N LYS A 88 122.161 0.754 3.130 1.00 0.00 N ATOM 1378 CA LYS A 88 120.755 0.579 2.678 1.00 0.00 C ATOM 1379 C LYS A 88 119.883 1.721 3.201 1.00 0.00 C ATOM 1380 O LYS A 88 120.242 2.420 4.126 1.00 0.00 O ATOM 1381 CB LYS A 88 120.219 -0.752 3.204 1.00 0.00 C ATOM 1382 CG LYS A 88 120.632 -0.937 4.669 1.00 0.00 C ATOM 1383 CD LYS A 88 121.905 -1.787 4.748 1.00 0.00 C ATOM 1384 CE LYS A 88 122.160 -2.205 6.200 1.00 0.00 C ATOM 1385 NZ LYS A 88 121.852 -3.654 6.362 1.00 0.00 N ATOM 0 H LYS A 88 122.280 1.220 4.029 1.00 0.00 H new ATOM 0 HA LYS A 88 120.728 0.586 1.588 1.00 0.00 H new ATOM 0 HB2 LYS A 88 119.133 -0.777 3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 88 120.606 -1.574 2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 88 120.803 0.034 5.133 1.00 0.00 H new ATOM 0 HG3 LYS A 88 119.827 -1.419 5.225 1.00 0.00 H new ATOM 0 HD2 LYS A 88 121.803 -2.671 4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 88 122.756 -1.221 4.368 1.00 0.00 H new ATOM 0 HE2 LYS A 88 123.198 -2.011 6.468 1.00 0.00 H new ATOM 0 HE3 LYS A 88 121.541 -1.613 6.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 122.025 -3.938 7.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 120.855 -3.826 6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 122.461 -4.211 5.729 1.00 0.00 H new ATOM 1399 N LEU A 89 118.729 1.906 2.615 1.00 0.00 N ATOM 1400 CA LEU A 89 117.820 2.991 3.077 1.00 0.00 C ATOM 1401 C LEU A 89 116.775 2.388 4.017 1.00 0.00 C ATOM 1402 O LEU A 89 115.948 1.597 3.614 1.00 0.00 O ATOM 1403 CB LEU A 89 117.123 3.625 1.870 1.00 0.00 C ATOM 1404 CG LEU A 89 117.945 4.812 1.366 1.00 0.00 C ATOM 1405 CD1 LEU A 89 117.641 5.055 -0.113 1.00 0.00 C ATOM 1406 CD2 LEU A 89 117.582 6.063 2.171 1.00 0.00 C ATOM 0 H LEU A 89 118.378 1.350 1.835 1.00 0.00 H new ATOM 0 HA LEU A 89 118.391 3.758 3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 89 117.007 2.887 1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 89 116.122 3.955 2.148 1.00 0.00 H new ATOM 0 HG LEU A 89 119.006 4.594 1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 89 118.228 5.901 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 89 117.899 4.166 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 89 116.580 5.271 -0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 89 118.168 6.909 1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 89 116.521 6.279 2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 89 117.799 5.893 3.226 1.00 0.00 H new ATOM 1418 N ILE A 90 116.814 2.746 5.269 1.00 0.00 N ATOM 1419 CA ILE A 90 115.830 2.177 6.229 1.00 0.00 C ATOM 1420 C ILE A 90 114.502 2.919 6.134 1.00 0.00 C ATOM 1421 O ILE A 90 114.407 3.993 5.577 1.00 0.00 O ATOM 1422 CB ILE A 90 116.352 2.262 7.656 1.00 0.00 C ATOM 1423 CG1 ILE A 90 117.285 3.449 7.799 1.00 0.00 C ATOM 1424 CG2 ILE A 90 117.110 0.981 8.005 1.00 0.00 C ATOM 1425 CD1 ILE A 90 117.638 3.606 9.266 1.00 0.00 C ATOM 0 H ILE A 90 117.482 3.406 5.668 1.00 0.00 H new ATOM 0 HA ILE A 90 115.679 1.129 5.968 1.00 0.00 H new ATOM 0 HB ILE A 90 115.507 2.384 8.333 1.00 0.00 H new ATOM 0 HG12 ILE A 90 118.187 3.296 7.206 1.00 0.00 H new ATOM 0 HG13 ILE A 90 116.807 4.354 7.425 1.00 0.00 H new ATOM 0 HG21 ILE A 90 117.482 1.046 9.027 1.00 0.00 H new ATOM 0 HG22 ILE A 90 116.440 0.126 7.916 1.00 0.00 H new ATOM 0 HG23 ILE A 90 117.949 0.857 7.321 1.00 0.00 H new ATOM 0 HD11 ILE A 90 118.309 4.456 9.390 1.00 0.00 H new ATOM 0 HD12 ILE A 90 116.729 3.775 9.843 1.00 0.00 H new ATOM 0 HD13 ILE A 90 118.130 2.700 9.621 1.00 0.00 H new ATOM 1437 N GLY A 91 113.482 2.334 6.686 1.00 0.00 N ATOM 1438 CA GLY A 91 112.130 2.953 6.666 1.00 0.00 C ATOM 1439 C GLY A 91 111.408 2.570 7.954 1.00 0.00 C ATOM 1440 O GLY A 91 110.837 1.504 8.067 1.00 0.00 O ATOM 0 H GLY A 91 113.528 1.433 7.161 1.00 0.00 H new ATOM 0 HA2 GLY A 91 112.210 4.037 6.584 1.00 0.00 H new ATOM 0 HA3 GLY A 91 111.567 2.608 5.798 1.00 0.00 H new ATOM 1444 N LYS A 92 111.436 3.425 8.928 1.00 0.00 N ATOM 1445 CA LYS A 92 110.757 3.107 10.212 1.00 0.00 C ATOM 1446 C LYS A 92 109.323 3.611 10.143 1.00 0.00 C ATOM 1447 O LYS A 92 109.075 4.793 10.187 1.00 0.00 O ATOM 1448 CB LYS A 92 111.495 3.786 11.370 1.00 0.00 C ATOM 1449 CG LYS A 92 111.302 5.301 11.287 1.00 0.00 C ATOM 1450 CD LYS A 92 112.506 6.005 11.919 1.00 0.00 C ATOM 1451 CE LYS A 92 112.308 7.522 11.860 1.00 0.00 C ATOM 1452 NZ LYS A 92 112.999 8.065 10.657 1.00 0.00 N ATOM 0 H LYS A 92 111.900 4.333 8.894 1.00 0.00 H new ATOM 0 HA LYS A 92 110.761 2.030 10.379 1.00 0.00 H new ATOM 0 HB2 LYS A 92 111.118 3.413 12.322 1.00 0.00 H new ATOM 0 HB3 LYS A 92 112.557 3.542 11.330 1.00 0.00 H new ATOM 0 HG2 LYS A 92 111.193 5.608 10.247 1.00 0.00 H new ATOM 0 HG3 LYS A 92 110.386 5.590 11.803 1.00 0.00 H new ATOM 0 HD2 LYS A 92 112.625 5.684 12.954 1.00 0.00 H new ATOM 0 HD3 LYS A 92 113.419 5.727 11.393 1.00 0.00 H new ATOM 0 HE2 LYS A 92 111.245 7.760 11.821 1.00 0.00 H new ATOM 0 HE3 LYS A 92 112.705 7.987 12.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 112.664 9.032 10.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 114.025 8.080 10.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 112.791 7.462 9.835 1.00 0.00 H new ATOM 1466 N PHE A 93 108.381 2.721 10.013 1.00 0.00 N ATOM 1467 CA PHE A 93 106.958 3.144 9.916 1.00 0.00 C ATOM 1468 C PHE A 93 106.168 2.621 11.106 1.00 0.00 C ATOM 1469 O PHE A 93 106.452 1.573 11.652 1.00 0.00 O ATOM 1470 CB PHE A 93 106.356 2.590 8.619 1.00 0.00 C ATOM 1471 CG PHE A 93 106.548 3.570 7.476 1.00 0.00 C ATOM 1472 CD1 PHE A 93 107.226 4.781 7.677 1.00 0.00 C ATOM 1473 CD2 PHE A 93 106.046 3.258 6.206 1.00 0.00 C ATOM 1474 CE1 PHE A 93 107.402 5.673 6.615 1.00 0.00 C ATOM 1475 CE2 PHE A 93 106.221 4.153 5.143 1.00 0.00 C ATOM 1476 CZ PHE A 93 106.899 5.360 5.347 1.00 0.00 C ATOM 0 H PHE A 93 108.536 1.714 9.970 1.00 0.00 H new ATOM 0 HA PHE A 93 106.909 4.233 9.914 1.00 0.00 H new ATOM 0 HB2 PHE A 93 106.826 1.638 8.371 1.00 0.00 H new ATOM 0 HB3 PHE A 93 105.293 2.393 8.761 1.00 0.00 H new ATOM 0 HD1 PHE A 93 107.613 5.025 8.655 1.00 0.00 H new ATOM 0 HD2 PHE A 93 105.523 2.326 6.046 1.00 0.00 H new ATOM 0 HE1 PHE A 93 107.926 6.604 6.773 1.00 0.00 H new ATOM 0 HE2 PHE A 93 105.832 3.911 4.165 1.00 0.00 H new ATOM 0 HZ PHE A 93 107.034 6.049 4.527 1.00 0.00 H new ATOM 1486 N LYS A 94 105.172 3.356 11.506 1.00 0.00 N ATOM 1487 CA LYS A 94 104.341 2.922 12.659 1.00 0.00 C ATOM 1488 C LYS A 94 102.863 3.090 12.327 1.00 0.00 C ATOM 1489 O LYS A 94 102.377 4.184 12.123 1.00 0.00 O ATOM 1490 CB LYS A 94 104.676 3.763 13.888 1.00 0.00 C ATOM 1491 CG LYS A 94 105.776 3.079 14.698 1.00 0.00 C ATOM 1492 CD LYS A 94 106.519 4.128 15.519 1.00 0.00 C ATOM 1493 CE LYS A 94 107.398 3.438 16.564 1.00 0.00 C ATOM 1494 NZ LYS A 94 106.541 2.907 17.662 1.00 0.00 N ATOM 0 H LYS A 94 104.897 4.242 11.082 1.00 0.00 H new ATOM 0 HA LYS A 94 104.551 1.873 12.867 1.00 0.00 H new ATOM 0 HB2 LYS A 94 105.002 4.757 13.582 1.00 0.00 H new ATOM 0 HB3 LYS A 94 103.786 3.894 14.504 1.00 0.00 H new ATOM 0 HG2 LYS A 94 105.344 2.324 15.355 1.00 0.00 H new ATOM 0 HG3 LYS A 94 106.468 2.564 14.032 1.00 0.00 H new ATOM 0 HD2 LYS A 94 107.133 4.747 14.865 1.00 0.00 H new ATOM 0 HD3 LYS A 94 105.807 4.791 16.010 1.00 0.00 H new ATOM 0 HE2 LYS A 94 107.961 2.626 16.103 1.00 0.00 H new ATOM 0 HE3 LYS A 94 108.126 4.143 16.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 107.125 2.733 18.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 105.801 3.601 17.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 106.099 2.016 17.357 1.00 0.00 H new ATOM 1508 N ARG A 95 102.141 2.009 12.293 1.00 0.00 N ATOM 1509 CA ARG A 95 100.687 2.094 11.997 1.00 0.00 C ATOM 1510 C ARG A 95 100.060 3.117 12.938 1.00 0.00 C ATOM 1511 O ARG A 95 100.039 2.940 14.137 1.00 0.00 O ATOM 1512 CB ARG A 95 100.034 0.727 12.217 1.00 0.00 C ATOM 1513 CG ARG A 95 100.465 -0.236 11.108 1.00 0.00 C ATOM 1514 CD ARG A 95 99.450 -1.375 10.995 1.00 0.00 C ATOM 1515 NE ARG A 95 98.085 -0.808 10.806 1.00 0.00 N ATOM 1516 CZ ARG A 95 97.036 -1.577 10.921 1.00 0.00 C ATOM 1517 NH1 ARG A 95 95.842 -1.081 10.750 1.00 0.00 N ATOM 1518 NH2 ARG A 95 97.183 -2.841 11.208 1.00 0.00 N ATOM 0 H ARG A 95 102.496 1.067 12.458 1.00 0.00 H new ATOM 0 HA ARG A 95 100.535 2.396 10.961 1.00 0.00 H new ATOM 0 HB2 ARG A 95 100.322 0.328 13.190 1.00 0.00 H new ATOM 0 HB3 ARG A 95 98.949 0.828 12.222 1.00 0.00 H new ATOM 0 HG2 ARG A 95 100.538 0.295 10.159 1.00 0.00 H new ATOM 0 HG3 ARG A 95 101.455 -0.637 11.325 1.00 0.00 H new ATOM 0 HD2 ARG A 95 99.706 -2.022 10.156 1.00 0.00 H new ATOM 0 HD3 ARG A 95 99.478 -1.992 11.893 1.00 0.00 H new ATOM 0 HE ARG A 95 97.970 0.181 10.587 1.00 0.00 H new ATOM 0 HH11 ARG A 95 95.728 -0.092 10.526 1.00 0.00 H new ATOM 0 HH12 ARG A 95 95.023 -1.682 10.840 1.00 0.00 H new ATOM 0 HH21 ARG A 95 98.117 -3.228 11.342 1.00 0.00 H new ATOM 0 HH22 ARG A 95 96.364 -3.442 11.298 1.00 0.00 H new ATOM 1532 N THR A 96 99.558 4.193 12.410 1.00 0.00 N ATOM 1533 CA THR A 96 98.948 5.226 13.286 1.00 0.00 C ATOM 1534 C THR A 96 97.632 4.715 13.835 1.00 0.00 C ATOM 1535 O THR A 96 97.045 5.268 14.744 1.00 0.00 O ATOM 1536 CB THR A 96 98.706 6.490 12.469 1.00 0.00 C ATOM 1537 OG1 THR A 96 98.574 6.141 11.098 1.00 0.00 O ATOM 1538 CG2 THR A 96 99.882 7.449 12.641 1.00 0.00 C ATOM 0 H THR A 96 99.543 4.402 11.412 1.00 0.00 H new ATOM 0 HA THR A 96 99.619 5.447 14.116 1.00 0.00 H new ATOM 0 HB THR A 96 97.794 6.977 12.814 1.00 0.00 H new ATOM 0 HG1 THR A 96 99.463 6.023 10.704 1.00 0.00 H new ATOM 0 HG21 THR A 96 99.705 8.351 12.055 1.00 0.00 H new ATOM 0 HG22 THR A 96 99.984 7.714 13.693 1.00 0.00 H new ATOM 0 HG23 THR A 96 100.797 6.967 12.297 1.00 0.00 H new ATOM 1546 N ASP A 97 97.182 3.661 13.271 1.00 0.00 N ATOM 1547 CA ASP A 97 95.897 3.050 13.705 1.00 0.00 C ATOM 1548 C ASP A 97 96.150 2.046 14.833 1.00 0.00 C ATOM 1549 O ASP A 97 95.370 1.932 15.758 1.00 0.00 O ATOM 1550 CB ASP A 97 95.248 2.332 12.520 1.00 0.00 C ATOM 1551 CG ASP A 97 93.751 2.158 12.785 1.00 0.00 C ATOM 1552 OD1 ASP A 97 93.282 1.035 12.704 1.00 0.00 O ATOM 1553 OD2 ASP A 97 93.100 3.151 13.065 1.00 0.00 O ATOM 0 H ASP A 97 97.650 3.173 12.507 1.00 0.00 H new ATOM 0 HA ASP A 97 95.233 3.835 14.067 1.00 0.00 H new ATOM 0 HB2 ASP A 97 95.402 2.905 11.606 1.00 0.00 H new ATOM 0 HB3 ASP A 97 95.717 1.360 12.370 1.00 0.00 H new ATOM 1558 N ASN A 98 97.227 1.311 14.762 1.00 0.00 N ATOM 1559 CA ASN A 98 97.519 0.312 15.829 1.00 0.00 C ATOM 1560 C ASN A 98 98.975 0.436 16.289 1.00 0.00 C ATOM 1561 O ASN A 98 99.449 -0.355 17.081 1.00 0.00 O ATOM 1562 CB ASN A 98 97.277 -1.097 15.284 1.00 0.00 C ATOM 1563 CG ASN A 98 97.144 -2.078 16.449 1.00 0.00 C ATOM 1564 OD1 ASN A 98 97.367 -1.721 17.589 1.00 0.00 O ATOM 1565 ND2 ASN A 98 96.788 -3.312 16.210 1.00 0.00 N ATOM 0 H ASN A 98 97.916 1.359 14.012 1.00 0.00 H new ATOM 0 HA ASN A 98 96.862 0.499 16.679 1.00 0.00 H new ATOM 0 HB2 ASN A 98 96.372 -1.113 14.676 1.00 0.00 H new ATOM 0 HB3 ASN A 98 98.102 -1.395 14.636 1.00 0.00 H new ATOM 0 HD21 ASN A 98 96.697 -3.975 16.980 1.00 0.00 H new ATOM 0 HD22 ASN A 98 96.601 -3.613 15.253 1.00 0.00 H new ATOM 1572 N GLY A 99 99.690 1.416 15.806 1.00 0.00 N ATOM 1573 CA GLY A 99 101.112 1.573 16.228 1.00 0.00 C ATOM 1574 C GLY A 99 101.792 0.202 16.263 1.00 0.00 C ATOM 1575 O GLY A 99 102.642 -0.058 17.091 1.00 0.00 O ATOM 0 H GLY A 99 99.353 2.112 15.141 1.00 0.00 H new ATOM 0 HA2 GLY A 99 101.636 2.233 15.537 1.00 0.00 H new ATOM 0 HA3 GLY A 99 101.160 2.039 17.212 1.00 0.00 H new ATOM 1579 N ASN A 100 101.422 -0.679 15.373 1.00 0.00 N ATOM 1580 CA ASN A 100 102.049 -2.033 15.360 1.00 0.00 C ATOM 1581 C ASN A 100 103.453 -1.942 14.771 1.00 0.00 C ATOM 1582 O ASN A 100 104.020 -2.915 14.320 1.00 0.00 O ATOM 1583 CB ASN A 100 101.201 -2.978 14.512 1.00 0.00 C ATOM 1584 CG ASN A 100 100.144 -3.651 15.390 1.00 0.00 C ATOM 1585 OD1 ASN A 100 98.961 -3.469 15.183 1.00 0.00 O ATOM 1586 ND2 ASN A 100 100.523 -4.425 16.370 1.00 0.00 N ATOM 0 H ASN A 100 100.714 -0.521 14.656 1.00 0.00 H new ATOM 0 HA ASN A 100 102.109 -2.414 16.380 1.00 0.00 H new ATOM 0 HB2 ASN A 100 100.719 -2.425 13.706 1.00 0.00 H new ATOM 0 HB3 ASN A 100 101.835 -3.733 14.047 1.00 0.00 H new ATOM 0 HD21 ASN A 100 99.826 -4.877 16.962 1.00 0.00 H new ATOM 0 HD22 ASN A 100 101.516 -4.578 16.544 1.00 0.00 H new ATOM 1593 N GLU A 101 104.009 -0.769 14.788 1.00 0.00 N ATOM 1594 CA GLU A 101 105.385 -0.552 14.250 1.00 0.00 C ATOM 1595 C GLU A 101 105.562 -1.247 12.893 1.00 0.00 C ATOM 1596 O GLU A 101 104.774 -2.076 12.487 1.00 0.00 O ATOM 1597 CB GLU A 101 106.423 -1.084 15.246 1.00 0.00 C ATOM 1598 CG GLU A 101 106.383 -2.614 15.297 1.00 0.00 C ATOM 1599 CD GLU A 101 107.667 -3.134 15.946 1.00 0.00 C ATOM 1600 OE1 GLU A 101 108.248 -4.061 15.406 1.00 0.00 O ATOM 1601 OE2 GLU A 101 108.047 -2.596 16.973 1.00 0.00 O ATOM 0 H GLU A 101 103.562 0.070 15.159 1.00 0.00 H new ATOM 0 HA GLU A 101 105.532 0.519 14.108 1.00 0.00 H new ATOM 0 HB2 GLU A 101 107.419 -0.750 14.955 1.00 0.00 H new ATOM 0 HB3 GLU A 101 106.227 -0.676 16.238 1.00 0.00 H new ATOM 0 HG2 GLU A 101 105.514 -2.947 15.865 1.00 0.00 H new ATOM 0 HG3 GLU A 101 106.281 -3.020 14.291 1.00 0.00 H new ATOM 1608 N LEU A 102 106.610 -0.902 12.196 1.00 0.00 N ATOM 1609 CA LEU A 102 106.891 -1.513 10.872 1.00 0.00 C ATOM 1610 C LEU A 102 108.363 -1.254 10.549 1.00 0.00 C ATOM 1611 O LEU A 102 108.796 -0.120 10.491 1.00 0.00 O ATOM 1612 CB LEU A 102 105.996 -0.865 9.808 1.00 0.00 C ATOM 1613 CG LEU A 102 106.534 -1.172 8.407 1.00 0.00 C ATOM 1614 CD1 LEU A 102 106.503 -2.684 8.161 1.00 0.00 C ATOM 1615 CD2 LEU A 102 105.667 -0.462 7.360 1.00 0.00 C ATOM 0 H LEU A 102 107.295 -0.209 12.497 1.00 0.00 H new ATOM 0 HA LEU A 102 106.688 -2.584 10.886 1.00 0.00 H new ATOM 0 HB2 LEU A 102 104.976 -1.238 9.904 1.00 0.00 H new ATOM 0 HB3 LEU A 102 105.957 0.213 9.962 1.00 0.00 H new ATOM 0 HG LEU A 102 107.562 -0.817 8.329 1.00 0.00 H new ATOM 0 HD11 LEU A 102 106.886 -2.898 7.163 1.00 0.00 H new ATOM 0 HD12 LEU A 102 107.123 -3.186 8.904 1.00 0.00 H new ATOM 0 HD13 LEU A 102 105.477 -3.045 8.241 1.00 0.00 H new ATOM 0 HD21 LEU A 102 106.049 -0.680 6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 102 104.639 -0.815 7.440 1.00 0.00 H new ATOM 0 HD23 LEU A 102 105.696 0.614 7.533 1.00 0.00 H new ATOM 1627 N ASN A 103 109.143 -2.283 10.353 1.00 0.00 N ATOM 1628 CA ASN A 103 110.588 -2.061 10.052 1.00 0.00 C ATOM 1629 C ASN A 103 110.871 -2.486 8.616 1.00 0.00 C ATOM 1630 O ASN A 103 110.760 -3.643 8.275 1.00 0.00 O ATOM 1631 CB ASN A 103 111.448 -2.884 11.019 1.00 0.00 C ATOM 1632 CG ASN A 103 112.589 -2.018 11.560 1.00 0.00 C ATOM 1633 OD1 ASN A 103 112.903 -2.070 12.733 1.00 0.00 O ATOM 1634 ND2 ASN A 103 113.224 -1.217 10.750 1.00 0.00 N ATOM 0 H ASN A 103 108.847 -3.258 10.388 1.00 0.00 H new ATOM 0 HA ASN A 103 110.831 -1.005 10.172 1.00 0.00 H new ATOM 0 HB2 ASN A 103 110.836 -3.252 11.842 1.00 0.00 H new ATOM 0 HB3 ASN A 103 111.853 -3.758 10.508 1.00 0.00 H new ATOM 0 HD21 ASN A 103 113.984 -0.634 11.101 1.00 0.00 H new ATOM 0 HD22 ASN A 103 112.961 -1.173 9.766 1.00 0.00 H new ATOM 1641 N THR A 104 111.216 -1.563 7.763 1.00 0.00 N ATOM 1642 CA THR A 104 111.472 -1.935 6.347 1.00 0.00 C ATOM 1643 C THR A 104 112.812 -1.379 5.864 1.00 0.00 C ATOM 1644 O THR A 104 113.497 -0.659 6.563 1.00 0.00 O ATOM 1645 CB THR A 104 110.356 -1.357 5.480 1.00 0.00 C ATOM 1646 OG1 THR A 104 110.700 -1.497 4.108 1.00 0.00 O ATOM 1647 CG2 THR A 104 110.181 0.125 5.818 1.00 0.00 C ATOM 0 H THR A 104 111.331 -0.574 7.984 1.00 0.00 H new ATOM 0 HA THR A 104 111.501 -3.022 6.271 1.00 0.00 H new ATOM 0 HB THR A 104 109.425 -1.890 5.671 1.00 0.00 H new ATOM 0 HG1 THR A 104 110.817 -2.446 3.895 1.00 0.00 H new ATOM 0 HG21 THR A 104 109.386 0.547 5.204 1.00 0.00 H new ATOM 0 HG22 THR A 104 109.920 0.230 6.871 1.00 0.00 H new ATOM 0 HG23 THR A 104 111.112 0.656 5.620 1.00 0.00 H new ATOM 1655 N VAL A 105 113.173 -1.709 4.652 1.00 0.00 N ATOM 1656 CA VAL A 105 114.451 -1.214 4.073 1.00 0.00 C ATOM 1657 C VAL A 105 114.259 -1.007 2.568 1.00 0.00 C ATOM 1658 O VAL A 105 113.365 -1.573 1.970 1.00 0.00 O ATOM 1659 CB VAL A 105 115.558 -2.242 4.314 1.00 0.00 C ATOM 1660 CG1 VAL A 105 116.880 -1.708 3.765 1.00 0.00 C ATOM 1661 CG2 VAL A 105 115.696 -2.496 5.817 1.00 0.00 C ATOM 0 H VAL A 105 112.628 -2.308 4.033 1.00 0.00 H new ATOM 0 HA VAL A 105 114.733 -0.273 4.545 1.00 0.00 H new ATOM 0 HB VAL A 105 115.306 -3.174 3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 105 117.668 -2.441 3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 105 116.782 -1.525 2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 105 117.134 -0.776 4.271 1.00 0.00 H new ATOM 0 HG21 VAL A 105 116.484 -3.228 5.991 1.00 0.00 H new ATOM 0 HG22 VAL A 105 115.949 -1.564 6.322 1.00 0.00 H new ATOM 0 HG23 VAL A 105 114.753 -2.877 6.210 1.00 0.00 H new ATOM 1671 N ARG A 106 115.077 -0.198 1.947 1.00 0.00 N ATOM 1672 CA ARG A 106 114.914 0.038 0.483 1.00 0.00 C ATOM 1673 C ARG A 106 116.265 -0.094 -0.226 1.00 0.00 C ATOM 1674 O ARG A 106 117.277 0.392 0.241 1.00 0.00 O ATOM 1675 CB ARG A 106 114.354 1.444 0.256 1.00 0.00 C ATOM 1676 CG ARG A 106 114.504 1.825 -1.219 1.00 0.00 C ATOM 1677 CD ARG A 106 113.676 3.078 -1.509 1.00 0.00 C ATOM 1678 NE ARG A 106 113.861 4.062 -0.405 1.00 0.00 N ATOM 1679 CZ ARG A 106 112.944 4.960 -0.170 1.00 0.00 C ATOM 1680 NH1 ARG A 106 113.107 5.821 0.797 1.00 0.00 N ATOM 1681 NH2 ARG A 106 111.865 4.997 -0.902 1.00 0.00 N ATOM 0 H ARG A 106 115.846 0.307 2.387 1.00 0.00 H new ATOM 0 HA ARG A 106 114.226 -0.703 0.076 1.00 0.00 H new ATOM 0 HB2 ARG A 106 113.304 1.479 0.546 1.00 0.00 H new ATOM 0 HB3 ARG A 106 114.882 2.162 0.883 1.00 0.00 H new ATOM 0 HG2 ARG A 106 115.553 2.007 -1.454 1.00 0.00 H new ATOM 0 HG3 ARG A 106 114.173 1.003 -1.853 1.00 0.00 H new ATOM 0 HD2 ARG A 106 113.983 3.518 -2.458 1.00 0.00 H new ATOM 0 HD3 ARG A 106 112.622 2.816 -1.605 1.00 0.00 H new ATOM 0 HE ARG A 106 114.705 4.033 0.167 1.00 0.00 H new ATOM 0 HH11 ARG A 106 113.951 5.792 1.369 1.00 0.00 H new ATOM 0 HH12 ARG A 106 112.390 6.523 0.981 1.00 0.00 H new ATOM 0 HH21 ARG A 106 111.738 4.324 -1.658 1.00 0.00 H new ATOM 0 HH22 ARG A 106 111.148 5.699 -0.718 1.00 0.00 H new ATOM 1695 N GLU A 107 116.281 -0.745 -1.359 1.00 0.00 N ATOM 1696 CA GLU A 107 117.553 -0.913 -2.118 1.00 0.00 C ATOM 1697 C GLU A 107 117.263 -0.755 -3.613 1.00 0.00 C ATOM 1698 O GLU A 107 116.140 -0.912 -4.049 1.00 0.00 O ATOM 1699 CB GLU A 107 118.135 -2.301 -1.848 1.00 0.00 C ATOM 1700 CG GLU A 107 118.885 -2.288 -0.516 1.00 0.00 C ATOM 1701 CD GLU A 107 119.370 -3.701 -0.188 1.00 0.00 C ATOM 1702 OE1 GLU A 107 120.525 -3.987 -0.455 1.00 0.00 O ATOM 1703 OE2 GLU A 107 118.577 -4.474 0.325 1.00 0.00 O ATOM 0 H GLU A 107 115.462 -1.170 -1.793 1.00 0.00 H new ATOM 0 HA GLU A 107 118.274 -0.159 -1.801 1.00 0.00 H new ATOM 0 HB2 GLU A 107 117.337 -3.043 -1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 107 118.810 -2.588 -2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 107 119.733 -1.605 -0.571 1.00 0.00 H new ATOM 0 HG3 GLU A 107 118.232 -1.923 0.277 1.00 0.00 H new ATOM 1710 N ILE A 108 118.256 -0.442 -4.402 1.00 0.00 N ATOM 1711 CA ILE A 108 118.028 -0.273 -5.851 1.00 0.00 C ATOM 1712 C ILE A 108 118.966 -1.202 -6.605 1.00 0.00 C ATOM 1713 O ILE A 108 120.025 -0.808 -7.055 1.00 0.00 O ATOM 1714 CB ILE A 108 118.323 1.166 -6.241 1.00 0.00 C ATOM 1715 CG1 ILE A 108 117.587 2.115 -5.284 1.00 0.00 C ATOM 1716 CG2 ILE A 108 117.851 1.387 -7.671 1.00 0.00 C ATOM 1717 CD1 ILE A 108 117.091 3.346 -6.042 1.00 0.00 C ATOM 0 H ILE A 108 119.218 -0.297 -4.095 1.00 0.00 H new ATOM 0 HA ILE A 108 116.993 -0.510 -6.096 1.00 0.00 H new ATOM 0 HB ILE A 108 119.393 1.366 -6.176 1.00 0.00 H new ATOM 0 HG12 ILE A 108 116.745 1.598 -4.824 1.00 0.00 H new ATOM 0 HG13 ILE A 108 118.254 2.419 -4.477 1.00 0.00 H new ATOM 0 HG21 ILE A 108 118.056 2.416 -7.967 1.00 0.00 H new ATOM 0 HG22 ILE A 108 118.379 0.706 -8.338 1.00 0.00 H new ATOM 0 HG23 ILE A 108 116.779 1.198 -7.734 1.00 0.00 H new ATOM 0 HD11 ILE A 108 116.571 4.012 -5.354 1.00 0.00 H new ATOM 0 HD12 ILE A 108 117.940 3.870 -6.481 1.00 0.00 H new ATOM 0 HD13 ILE A 108 116.408 3.036 -6.833 1.00 0.00 H new ATOM 1729 N ILE A 109 118.589 -2.435 -6.742 1.00 0.00 N ATOM 1730 CA ILE A 109 119.465 -3.393 -7.462 1.00 0.00 C ATOM 1731 C ILE A 109 119.640 -2.923 -8.904 1.00 0.00 C ATOM 1732 O ILE A 109 118.864 -3.251 -9.778 1.00 0.00 O ATOM 1733 CB ILE A 109 118.830 -4.784 -7.446 1.00 0.00 C ATOM 1734 CG1 ILE A 109 118.988 -5.397 -6.052 1.00 0.00 C ATOM 1735 CG2 ILE A 109 119.527 -5.675 -8.478 1.00 0.00 C ATOM 1736 CD1 ILE A 109 118.224 -6.721 -5.984 1.00 0.00 C ATOM 0 H ILE A 109 117.714 -2.823 -6.388 1.00 0.00 H new ATOM 0 HA ILE A 109 120.437 -3.441 -6.972 1.00 0.00 H new ATOM 0 HB ILE A 109 117.771 -4.705 -7.692 1.00 0.00 H new ATOM 0 HG12 ILE A 109 120.043 -5.563 -5.834 1.00 0.00 H new ATOM 0 HG13 ILE A 109 118.611 -4.708 -5.296 1.00 0.00 H new ATOM 0 HG21 ILE A 109 119.075 -6.667 -8.467 1.00 0.00 H new ATOM 0 HG22 ILE A 109 119.417 -5.237 -9.470 1.00 0.00 H new ATOM 0 HG23 ILE A 109 120.586 -5.756 -8.232 1.00 0.00 H new ATOM 0 HD11 ILE A 109 118.338 -7.156 -4.991 1.00 0.00 H new ATOM 0 HD12 ILE A 109 117.167 -6.542 -6.183 1.00 0.00 H new ATOM 0 HD13 ILE A 109 118.622 -7.409 -6.729 1.00 0.00 H new ATOM 1748 N GLY A 110 120.665 -2.162 -9.154 1.00 0.00 N ATOM 1749 CA GLY A 110 120.912 -1.670 -10.540 1.00 0.00 C ATOM 1750 C GLY A 110 119.684 -0.921 -11.065 1.00 0.00 C ATOM 1751 O GLY A 110 119.646 0.294 -11.073 1.00 0.00 O ATOM 0 H GLY A 110 121.346 -1.857 -8.458 1.00 0.00 H new ATOM 0 HA2 GLY A 110 121.780 -1.011 -10.550 1.00 0.00 H new ATOM 0 HA3 GLY A 110 121.142 -2.510 -11.196 1.00 0.00 H new ATOM 1755 N ASP A 111 118.684 -1.632 -11.521 1.00 0.00 N ATOM 1756 CA ASP A 111 117.470 -0.954 -12.060 1.00 0.00 C ATOM 1757 C ASP A 111 116.206 -1.543 -11.430 1.00 0.00 C ATOM 1758 O ASP A 111 115.150 -1.556 -12.031 1.00 0.00 O ATOM 1759 CB ASP A 111 117.417 -1.137 -13.578 1.00 0.00 C ATOM 1760 CG ASP A 111 118.374 -0.148 -14.246 1.00 0.00 C ATOM 1761 OD1 ASP A 111 118.255 1.036 -13.976 1.00 0.00 O ATOM 1762 OD2 ASP A 111 119.211 -0.591 -15.016 1.00 0.00 O ATOM 0 H ASP A 111 118.657 -2.651 -11.543 1.00 0.00 H new ATOM 0 HA ASP A 111 117.522 0.107 -11.818 1.00 0.00 H new ATOM 0 HB2 ASP A 111 117.691 -2.159 -13.841 1.00 0.00 H new ATOM 0 HB3 ASP A 111 116.401 -0.976 -13.939 1.00 0.00 H new ATOM 1767 N GLU A 112 116.303 -2.023 -10.224 1.00 0.00 N ATOM 1768 CA GLU A 112 115.108 -2.601 -9.550 1.00 0.00 C ATOM 1769 C GLU A 112 115.043 -2.066 -8.120 1.00 0.00 C ATOM 1770 O GLU A 112 116.048 -1.976 -7.445 1.00 0.00 O ATOM 1771 CB GLU A 112 115.221 -4.128 -9.527 1.00 0.00 C ATOM 1772 CG GLU A 112 116.006 -4.601 -10.753 1.00 0.00 C ATOM 1773 CD GLU A 112 116.019 -6.130 -10.794 1.00 0.00 C ATOM 1774 OE1 GLU A 112 116.886 -6.712 -10.165 1.00 0.00 O ATOM 1775 OE2 GLU A 112 115.159 -6.692 -11.453 1.00 0.00 O ATOM 0 H GLU A 112 117.161 -2.040 -9.673 1.00 0.00 H new ATOM 0 HA GLU A 112 114.204 -2.320 -10.090 1.00 0.00 H new ATOM 0 HB2 GLU A 112 115.721 -4.452 -8.614 1.00 0.00 H new ATOM 0 HB3 GLU A 112 114.228 -4.577 -9.523 1.00 0.00 H new ATOM 0 HG2 GLU A 112 115.553 -4.206 -11.662 1.00 0.00 H new ATOM 0 HG3 GLU A 112 117.026 -4.219 -10.714 1.00 0.00 H new ATOM 1782 N LEU A 113 113.878 -1.708 -7.642 1.00 0.00 N ATOM 1783 CA LEU A 113 113.799 -1.179 -6.245 1.00 0.00 C ATOM 1784 C LEU A 113 113.335 -2.289 -5.310 1.00 0.00 C ATOM 1785 O LEU A 113 112.214 -2.750 -5.386 1.00 0.00 O ATOM 1786 CB LEU A 113 112.815 -0.009 -6.177 1.00 0.00 C ATOM 1787 CG LEU A 113 113.004 0.750 -4.861 1.00 0.00 C ATOM 1788 CD1 LEU A 113 114.050 1.854 -5.050 1.00 0.00 C ATOM 1789 CD2 LEU A 113 111.672 1.379 -4.442 1.00 0.00 C ATOM 0 H LEU A 113 112.993 -1.757 -8.147 1.00 0.00 H new ATOM 0 HA LEU A 113 114.785 -0.829 -5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 113 112.975 0.662 -7.021 1.00 0.00 H new ATOM 0 HB3 LEU A 113 111.792 -0.377 -6.252 1.00 0.00 H new ATOM 0 HG LEU A 113 113.342 0.059 -4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 113 114.183 2.393 -4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 113 114.998 1.409 -5.351 1.00 0.00 H new ATOM 0 HD13 LEU A 113 113.713 2.546 -5.822 1.00 0.00 H new ATOM 0 HD21 LEU A 113 111.804 1.920 -3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.336 2.070 -5.216 1.00 0.00 H new ATOM 0 HD23 LEU A 113 110.926 0.596 -4.307 1.00 0.00 H new ATOM 1801 N VAL A 114 114.187 -2.722 -4.426 1.00 0.00 N ATOM 1802 CA VAL A 114 113.791 -3.804 -3.488 1.00 0.00 C ATOM 1803 C VAL A 114 113.385 -3.184 -2.153 1.00 0.00 C ATOM 1804 O VAL A 114 114.207 -2.664 -1.425 1.00 0.00 O ATOM 1805 CB VAL A 114 114.967 -4.759 -3.271 1.00 0.00 C ATOM 1806 CG1 VAL A 114 114.506 -5.954 -2.434 1.00 0.00 C ATOM 1807 CG2 VAL A 114 115.483 -5.255 -4.626 1.00 0.00 C ATOM 0 H VAL A 114 115.139 -2.374 -4.313 1.00 0.00 H new ATOM 0 HA VAL A 114 112.953 -4.360 -3.907 1.00 0.00 H new ATOM 0 HB VAL A 114 115.767 -4.234 -2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.343 -6.634 -2.279 1.00 0.00 H new ATOM 0 HG12 VAL A 114 114.141 -5.603 -1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 114 113.705 -6.477 -2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 114 116.320 -5.935 -4.470 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.684 -5.778 -5.150 1.00 0.00 H new ATOM 0 HG23 VAL A 114 115.813 -4.405 -5.223 1.00 0.00 H new ATOM 1817 N GLN A 115 112.125 -3.240 -1.826 1.00 0.00 N ATOM 1818 CA GLN A 115 111.665 -2.659 -0.537 1.00 0.00 C ATOM 1819 C GLN A 115 111.189 -3.795 0.361 1.00 0.00 C ATOM 1820 O GLN A 115 110.145 -4.375 0.139 1.00 0.00 O ATOM 1821 CB GLN A 115 110.510 -1.687 -0.794 1.00 0.00 C ATOM 1822 CG GLN A 115 111.065 -0.279 -1.018 1.00 0.00 C ATOM 1823 CD GLN A 115 109.909 0.689 -1.280 1.00 0.00 C ATOM 1824 OE1 GLN A 115 110.125 1.851 -1.558 1.00 0.00 O ATOM 1825 NE2 GLN A 115 108.682 0.254 -1.203 1.00 0.00 N ATOM 0 H GLN A 115 111.394 -3.664 -2.397 1.00 0.00 H new ATOM 0 HA GLN A 115 112.481 -2.119 -0.057 1.00 0.00 H new ATOM 0 HB2 GLN A 115 109.939 -2.007 -1.666 1.00 0.00 H new ATOM 0 HB3 GLN A 115 109.825 -1.688 0.054 1.00 0.00 H new ATOM 0 HG2 GLN A 115 111.632 0.043 -0.145 1.00 0.00 H new ATOM 0 HG3 GLN A 115 111.753 -0.278 -1.863 1.00 0.00 H new ATOM 0 HE21 GLN A 115 108.501 -0.722 -0.969 1.00 0.00 H new ATOM 0 HE22 GLN A 115 107.904 0.890 -1.376 1.00 0.00 H new ATOM 1834 N THR A 116 111.946 -4.129 1.366 1.00 0.00 N ATOM 1835 CA THR A 116 111.529 -5.239 2.263 1.00 0.00 C ATOM 1836 C THR A 116 110.989 -4.669 3.564 1.00 0.00 C ATOM 1837 O THR A 116 111.459 -3.665 4.061 1.00 0.00 O ATOM 1838 CB THR A 116 112.728 -6.137 2.572 1.00 0.00 C ATOM 1839 OG1 THR A 116 113.620 -6.135 1.467 1.00 0.00 O ATOM 1840 CG2 THR A 116 112.245 -7.562 2.843 1.00 0.00 C ATOM 0 H THR A 116 112.832 -3.683 1.605 1.00 0.00 H new ATOM 0 HA THR A 116 110.754 -5.823 1.766 1.00 0.00 H new ATOM 0 HB THR A 116 113.246 -5.760 3.454 1.00 0.00 H new ATOM 0 HG1 THR A 116 114.389 -6.709 1.666 1.00 0.00 H new ATOM 0 HG21 THR A 116 113.101 -8.201 3.063 1.00 0.00 H new ATOM 0 HG22 THR A 116 111.565 -7.560 3.695 1.00 0.00 H new ATOM 0 HG23 THR A 116 111.724 -7.943 1.964 1.00 0.00 H new ATOM 1848 N TYR A 117 110.014 -5.315 4.128 1.00 0.00 N ATOM 1849 CA TYR A 117 109.450 -4.828 5.415 1.00 0.00 C ATOM 1850 C TYR A 117 109.472 -5.947 6.435 1.00 0.00 C ATOM 1851 O TYR A 117 109.465 -7.113 6.107 1.00 0.00 O ATOM 1852 CB TYR A 117 108.003 -4.355 5.252 1.00 0.00 C ATOM 1853 CG TYR A 117 107.824 -3.699 3.918 1.00 0.00 C ATOM 1854 CD1 TYR A 117 107.976 -4.456 2.765 1.00 0.00 C ATOM 1855 CD2 TYR A 117 107.497 -2.341 3.835 1.00 0.00 C ATOM 1856 CE1 TYR A 117 107.804 -3.863 1.511 1.00 0.00 C ATOM 1857 CE2 TYR A 117 107.324 -1.742 2.584 1.00 0.00 C ATOM 1858 CZ TYR A 117 107.478 -2.504 1.419 1.00 0.00 C ATOM 1859 OH TYR A 117 107.308 -1.916 0.181 1.00 0.00 O ATOM 0 H TYR A 117 109.581 -6.160 3.755 1.00 0.00 H new ATOM 0 HA TYR A 117 110.061 -3.988 5.746 1.00 0.00 H new ATOM 0 HB2 TYR A 117 107.323 -5.202 5.344 1.00 0.00 H new ATOM 0 HB3 TYR A 117 107.749 -3.654 6.048 1.00 0.00 H new ATOM 0 HD1 TYR A 117 108.227 -5.504 2.837 1.00 0.00 H new ATOM 0 HD2 TYR A 117 107.379 -1.757 4.736 1.00 0.00 H new ATOM 0 HE1 TYR A 117 107.922 -4.452 0.614 1.00 0.00 H new ATOM 0 HE2 TYR A 117 107.072 -0.694 2.516 1.00 0.00 H new ATOM 0 HH TYR A 117 107.677 -2.501 -0.513 1.00 0.00 H new ATOM 1869 N VAL A 118 109.466 -5.579 7.671 1.00 0.00 N ATOM 1870 CA VAL A 118 109.451 -6.583 8.766 1.00 0.00 C ATOM 1871 C VAL A 118 108.259 -6.299 9.649 1.00 0.00 C ATOM 1872 O VAL A 118 107.842 -5.167 9.813 1.00 0.00 O ATOM 1873 CB VAL A 118 110.710 -6.486 9.622 1.00 0.00 C ATOM 1874 CG1 VAL A 118 110.809 -7.721 10.525 1.00 0.00 C ATOM 1875 CG2 VAL A 118 111.944 -6.399 8.725 1.00 0.00 C ATOM 0 H VAL A 118 109.471 -4.608 7.982 1.00 0.00 H new ATOM 0 HA VAL A 118 109.401 -7.579 8.327 1.00 0.00 H new ATOM 0 HB VAL A 118 110.658 -5.589 10.239 1.00 0.00 H new ATOM 0 HG11 VAL A 118 111.708 -7.653 11.137 1.00 0.00 H new ATOM 0 HG12 VAL A 118 109.933 -7.770 11.171 1.00 0.00 H new ATOM 0 HG13 VAL A 118 110.856 -8.619 9.909 1.00 0.00 H new ATOM 0 HG21 VAL A 118 112.839 -6.330 9.343 1.00 0.00 H new ATOM 0 HG22 VAL A 118 112.003 -7.290 8.100 1.00 0.00 H new ATOM 0 HG23 VAL A 118 111.872 -5.515 8.091 1.00 0.00 H new ATOM 1885 N TYR A 119 107.707 -7.315 10.217 1.00 0.00 N ATOM 1886 CA TYR A 119 106.529 -7.102 11.092 1.00 0.00 C ATOM 1887 C TYR A 119 106.561 -8.055 12.288 1.00 0.00 C ATOM 1888 O TYR A 119 106.369 -9.248 12.163 1.00 0.00 O ATOM 1889 CB TYR A 119 105.254 -7.331 10.281 1.00 0.00 C ATOM 1890 CG TYR A 119 104.202 -6.338 10.705 1.00 0.00 C ATOM 1891 CD1 TYR A 119 103.483 -6.556 11.880 1.00 0.00 C ATOM 1892 CD2 TYR A 119 103.937 -5.211 9.918 1.00 0.00 C ATOM 1893 CE1 TYR A 119 102.494 -5.649 12.276 1.00 0.00 C ATOM 1894 CE2 TYR A 119 102.952 -4.299 10.313 1.00 0.00 C ATOM 1895 CZ TYR A 119 102.228 -4.519 11.492 1.00 0.00 C ATOM 1896 OH TYR A 119 101.252 -3.623 11.878 1.00 0.00 O ATOM 0 H TYR A 119 108.014 -8.283 10.118 1.00 0.00 H new ATOM 0 HA TYR A 119 106.550 -6.080 11.470 1.00 0.00 H new ATOM 0 HB2 TYR A 119 105.463 -7.223 9.217 1.00 0.00 H new ATOM 0 HB3 TYR A 119 104.892 -8.348 10.433 1.00 0.00 H new ATOM 0 HD1 TYR A 119 103.690 -7.426 12.485 1.00 0.00 H new ATOM 0 HD2 TYR A 119 104.492 -5.046 9.007 1.00 0.00 H new ATOM 0 HE1 TYR A 119 101.936 -5.820 13.185 1.00 0.00 H new ATOM 0 HE2 TYR A 119 102.750 -3.426 9.710 1.00 0.00 H new ATOM 0 HH TYR A 119 100.371 -3.971 11.628 1.00 0.00 H new ATOM 1906 N GLU A 120 106.788 -7.512 13.448 1.00 0.00 N ATOM 1907 CA GLU A 120 106.816 -8.331 14.695 1.00 0.00 C ATOM 1908 C GLU A 120 107.674 -9.576 14.515 1.00 0.00 C ATOM 1909 O GLU A 120 107.567 -10.527 15.263 1.00 0.00 O ATOM 1910 CB GLU A 120 105.391 -8.741 15.069 1.00 0.00 C ATOM 1911 CG GLU A 120 104.590 -7.501 15.472 1.00 0.00 C ATOM 1912 CD GLU A 120 104.864 -7.171 16.940 1.00 0.00 C ATOM 1913 OE1 GLU A 120 104.906 -8.094 17.737 1.00 0.00 O ATOM 1914 OE2 GLU A 120 105.030 -6.000 17.243 1.00 0.00 O ATOM 0 H GLU A 120 106.959 -6.517 13.590 1.00 0.00 H new ATOM 0 HA GLU A 120 107.251 -7.728 15.492 1.00 0.00 H new ATOM 0 HB2 GLU A 120 104.911 -9.238 14.226 1.00 0.00 H new ATOM 0 HB3 GLU A 120 105.411 -9.456 15.891 1.00 0.00 H new ATOM 0 HG2 GLU A 120 104.866 -6.656 14.841 1.00 0.00 H new ATOM 0 HG3 GLU A 120 103.525 -7.678 15.321 1.00 0.00 H new ATOM 1921 N GLY A 121 108.529 -9.577 13.543 1.00 0.00 N ATOM 1922 CA GLY A 121 109.403 -10.763 13.328 1.00 0.00 C ATOM 1923 C GLY A 121 109.020 -11.438 12.021 1.00 0.00 C ATOM 1924 O GLY A 121 109.210 -12.625 11.844 1.00 0.00 O ATOM 0 H GLY A 121 108.665 -8.810 12.884 1.00 0.00 H new ATOM 0 HA2 GLY A 121 110.449 -10.458 13.300 1.00 0.00 H new ATOM 0 HA3 GLY A 121 109.297 -11.463 14.157 1.00 0.00 H new ATOM 1928 N VAL A 122 108.507 -10.684 11.094 1.00 0.00 N ATOM 1929 CA VAL A 122 108.137 -11.262 9.789 1.00 0.00 C ATOM 1930 C VAL A 122 108.885 -10.489 8.736 1.00 0.00 C ATOM 1931 O VAL A 122 109.582 -9.543 9.035 1.00 0.00 O ATOM 1932 CB VAL A 122 106.635 -11.150 9.547 1.00 0.00 C ATOM 1933 CG1 VAL A 122 106.313 -9.866 8.783 1.00 0.00 C ATOM 1934 CG2 VAL A 122 106.163 -12.356 8.741 1.00 0.00 C ATOM 0 H VAL A 122 108.329 -9.684 11.191 1.00 0.00 H new ATOM 0 HA VAL A 122 108.393 -12.321 9.760 1.00 0.00 H new ATOM 0 HB VAL A 122 106.122 -11.124 10.508 1.00 0.00 H new ATOM 0 HG11 VAL A 122 105.238 -9.801 8.618 1.00 0.00 H new ATOM 0 HG12 VAL A 122 106.644 -9.005 9.363 1.00 0.00 H new ATOM 0 HG13 VAL A 122 106.827 -9.876 7.822 1.00 0.00 H new ATOM 0 HG21 VAL A 122 105.090 -12.279 8.566 1.00 0.00 H new ATOM 0 HG22 VAL A 122 106.686 -12.382 7.785 1.00 0.00 H new ATOM 0 HG23 VAL A 122 106.376 -13.270 9.295 1.00 0.00 H new ATOM 1944 N GLU A 123 108.763 -10.870 7.516 1.00 0.00 N ATOM 1945 CA GLU A 123 109.500 -10.119 6.475 1.00 0.00 C ATOM 1946 C GLU A 123 108.838 -10.272 5.103 1.00 0.00 C ATOM 1947 O GLU A 123 108.665 -11.363 4.599 1.00 0.00 O ATOM 1948 CB GLU A 123 110.944 -10.635 6.407 1.00 0.00 C ATOM 1949 CG GLU A 123 111.918 -9.478 6.652 1.00 0.00 C ATOM 1950 CD GLU A 123 113.336 -9.919 6.284 1.00 0.00 C ATOM 1951 OE1 GLU A 123 114.026 -10.417 7.159 1.00 0.00 O ATOM 1952 OE2 GLU A 123 113.709 -9.750 5.136 1.00 0.00 O ATOM 0 H GLU A 123 108.198 -11.654 7.189 1.00 0.00 H new ATOM 0 HA GLU A 123 109.488 -9.062 6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 123 111.097 -11.416 7.152 1.00 0.00 H new ATOM 0 HB3 GLU A 123 111.135 -11.083 5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 123 111.629 -8.612 6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 123 111.881 -9.172 7.698 1.00 0.00 H new ATOM 1959 N ALA A 124 108.500 -9.172 4.484 1.00 0.00 N ATOM 1960 CA ALA A 124 107.885 -9.224 3.128 1.00 0.00 C ATOM 1961 C ALA A 124 108.820 -8.507 2.153 1.00 0.00 C ATOM 1962 O ALA A 124 109.562 -7.628 2.541 1.00 0.00 O ATOM 1963 CB ALA A 124 106.520 -8.531 3.144 1.00 0.00 C ATOM 0 H ALA A 124 108.625 -8.234 4.864 1.00 0.00 H new ATOM 0 HA ALA A 124 107.741 -10.260 2.821 1.00 0.00 H new ATOM 0 HB1 ALA A 124 106.078 -8.574 2.148 1.00 0.00 H new ATOM 0 HB2 ALA A 124 105.864 -9.035 3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 124 106.644 -7.490 3.441 1.00 0.00 H new ATOM 1969 N LYS A 125 108.813 -8.874 0.898 1.00 0.00 N ATOM 1970 CA LYS A 125 109.731 -8.197 -0.063 1.00 0.00 C ATOM 1971 C LYS A 125 108.969 -7.701 -1.291 1.00 0.00 C ATOM 1972 O LYS A 125 108.098 -8.367 -1.814 1.00 0.00 O ATOM 1973 CB LYS A 125 110.818 -9.176 -0.508 1.00 0.00 C ATOM 1974 CG LYS A 125 112.055 -8.395 -0.969 1.00 0.00 C ATOM 1975 CD LYS A 125 112.757 -9.155 -2.099 1.00 0.00 C ATOM 1976 CE LYS A 125 113.390 -10.437 -1.549 1.00 0.00 C ATOM 1977 NZ LYS A 125 113.005 -11.589 -2.412 1.00 0.00 N ATOM 0 H LYS A 125 108.220 -9.603 0.502 1.00 0.00 H new ATOM 0 HA LYS A 125 110.180 -7.340 0.439 1.00 0.00 H new ATOM 0 HB2 LYS A 125 111.081 -9.842 0.314 1.00 0.00 H new ATOM 0 HB3 LYS A 125 110.448 -9.803 -1.319 1.00 0.00 H new ATOM 0 HG2 LYS A 125 111.763 -7.403 -1.312 1.00 0.00 H new ATOM 0 HG3 LYS A 125 112.740 -8.254 -0.133 1.00 0.00 H new ATOM 0 HD2 LYS A 125 112.041 -9.400 -2.884 1.00 0.00 H new ATOM 0 HD3 LYS A 125 113.523 -8.526 -2.551 1.00 0.00 H new ATOM 0 HE2 LYS A 125 114.475 -10.337 -1.520 1.00 0.00 H new ATOM 0 HE3 LYS A 125 113.059 -10.609 -0.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 112.673 -12.374 -1.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 112.243 -11.299 -3.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 113.829 -11.899 -2.965 1.00 0.00 H new ATOM 1991 N ARG A 126 109.316 -6.533 -1.764 1.00 0.00 N ATOM 1992 CA ARG A 126 108.646 -5.975 -2.972 1.00 0.00 C ATOM 1993 C ARG A 126 109.729 -5.448 -3.917 1.00 0.00 C ATOM 1994 O ARG A 126 110.435 -4.513 -3.599 1.00 0.00 O ATOM 1995 CB ARG A 126 107.715 -4.831 -2.561 1.00 0.00 C ATOM 1996 CG ARG A 126 106.290 -5.365 -2.392 1.00 0.00 C ATOM 1997 CD ARG A 126 105.483 -4.404 -1.517 1.00 0.00 C ATOM 1998 NE ARG A 126 105.415 -3.070 -2.177 1.00 0.00 N ATOM 1999 CZ ARG A 126 105.047 -2.022 -1.491 1.00 0.00 C ATOM 2000 NH1 ARG A 126 104.988 -0.852 -2.068 1.00 0.00 N ATOM 2001 NH2 ARG A 126 104.738 -2.143 -0.229 1.00 0.00 N ATOM 0 H ARG A 126 110.040 -5.939 -1.361 1.00 0.00 H new ATOM 0 HA ARG A 126 108.056 -6.745 -3.468 1.00 0.00 H new ATOM 0 HB2 ARG A 126 108.060 -4.385 -1.628 1.00 0.00 H new ATOM 0 HB3 ARG A 126 107.733 -4.045 -3.316 1.00 0.00 H new ATOM 0 HG2 ARG A 126 105.813 -5.473 -3.366 1.00 0.00 H new ATOM 0 HG3 ARG A 126 106.313 -6.355 -1.937 1.00 0.00 H new ATOM 0 HD2 ARG A 126 104.478 -4.795 -1.360 1.00 0.00 H new ATOM 0 HD3 ARG A 126 105.947 -4.313 -0.535 1.00 0.00 H new ATOM 0 HE ARG A 126 105.656 -2.976 -3.164 1.00 0.00 H new ATOM 0 HH11 ARG A 126 105.229 -0.757 -3.054 1.00 0.00 H new ATOM 0 HH12 ARG A 126 104.700 -0.033 -1.532 1.00 0.00 H new ATOM 0 HH21 ARG A 126 104.784 -3.057 0.222 1.00 0.00 H new ATOM 0 HH22 ARG A 126 104.451 -1.324 0.306 1.00 0.00 H new ATOM 2015 N ILE A 127 109.885 -6.050 -5.066 1.00 0.00 N ATOM 2016 CA ILE A 127 110.946 -5.587 -6.007 1.00 0.00 C ATOM 2017 C ILE A 127 110.324 -4.895 -7.218 1.00 0.00 C ATOM 2018 O ILE A 127 109.518 -5.463 -7.929 1.00 0.00 O ATOM 2019 CB ILE A 127 111.760 -6.790 -6.489 1.00 0.00 C ATOM 2020 CG1 ILE A 127 112.111 -7.696 -5.302 1.00 0.00 C ATOM 2021 CG2 ILE A 127 113.048 -6.299 -7.154 1.00 0.00 C ATOM 2022 CD1 ILE A 127 112.188 -9.148 -5.777 1.00 0.00 C ATOM 0 H ILE A 127 109.327 -6.839 -5.393 1.00 0.00 H new ATOM 0 HA ILE A 127 111.590 -4.881 -5.483 1.00 0.00 H new ATOM 0 HB ILE A 127 111.168 -7.357 -7.208 1.00 0.00 H new ATOM 0 HG12 ILE A 127 113.064 -7.393 -4.868 1.00 0.00 H new ATOM 0 HG13 ILE A 127 111.358 -7.597 -4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 127 113.629 -7.155 -7.498 1.00 0.00 H new ATOM 0 HG22 ILE A 127 112.799 -5.664 -8.004 1.00 0.00 H new ATOM 0 HG23 ILE A 127 113.634 -5.728 -6.434 1.00 0.00 H new ATOM 0 HD11 ILE A 127 112.437 -9.794 -4.935 1.00 0.00 H new ATOM 0 HD12 ILE A 127 111.225 -9.447 -6.191 1.00 0.00 H new ATOM 0 HD13 ILE A 127 112.957 -9.240 -6.544 1.00 0.00 H new ATOM 2034 N PHE A 128 110.706 -3.672 -7.465 1.00 0.00 N ATOM 2035 CA PHE A 128 110.159 -2.935 -8.639 1.00 0.00 C ATOM 2036 C PHE A 128 111.183 -2.956 -9.776 1.00 0.00 C ATOM 2037 O PHE A 128 112.297 -3.411 -9.615 1.00 0.00 O ATOM 2038 CB PHE A 128 109.887 -1.470 -8.255 1.00 0.00 C ATOM 2039 CG PHE A 128 108.994 -1.382 -7.039 1.00 0.00 C ATOM 2040 CD1 PHE A 128 108.258 -2.488 -6.642 1.00 0.00 C ATOM 2041 CD2 PHE A 128 108.901 -0.184 -6.317 1.00 0.00 C ATOM 2042 CE1 PHE A 128 107.420 -2.417 -5.525 1.00 0.00 C ATOM 2043 CE2 PHE A 128 108.066 -0.106 -5.196 1.00 0.00 C ATOM 2044 CZ PHE A 128 107.323 -1.224 -4.800 1.00 0.00 C ATOM 0 H PHE A 128 111.377 -3.149 -6.901 1.00 0.00 H new ATOM 0 HA PHE A 128 109.232 -3.413 -8.956 1.00 0.00 H new ATOM 0 HB2 PHE A 128 110.831 -0.962 -8.054 1.00 0.00 H new ATOM 0 HB3 PHE A 128 109.418 -0.953 -9.092 1.00 0.00 H new ATOM 0 HD1 PHE A 128 108.332 -3.410 -7.199 1.00 0.00 H new ATOM 0 HD2 PHE A 128 109.473 0.678 -6.625 1.00 0.00 H new ATOM 0 HE1 PHE A 128 106.848 -3.282 -5.222 1.00 0.00 H new ATOM 0 HE2 PHE A 128 107.995 0.816 -4.638 1.00 0.00 H new ATOM 0 HZ PHE A 128 106.676 -1.166 -3.937 1.00 0.00 H new ATOM 2054 N LYS A 129 110.809 -2.447 -10.920 1.00 0.00 N ATOM 2055 CA LYS A 129 111.742 -2.418 -12.082 1.00 0.00 C ATOM 2056 C LYS A 129 111.216 -1.420 -13.119 1.00 0.00 C ATOM 2057 O LYS A 129 110.037 -1.134 -13.177 1.00 0.00 O ATOM 2058 CB LYS A 129 111.828 -3.810 -12.712 1.00 0.00 C ATOM 2059 CG LYS A 129 112.729 -3.754 -13.948 1.00 0.00 C ATOM 2060 CD LYS A 129 113.358 -5.128 -14.185 1.00 0.00 C ATOM 2061 CE LYS A 129 114.091 -5.129 -15.527 1.00 0.00 C ATOM 2062 NZ LYS A 129 113.105 -4.978 -16.633 1.00 0.00 N ATOM 0 H LYS A 129 109.888 -2.047 -11.100 1.00 0.00 H new ATOM 0 HA LYS A 129 112.734 -2.116 -11.746 1.00 0.00 H new ATOM 0 HB2 LYS A 129 112.226 -4.524 -11.991 1.00 0.00 H new ATOM 0 HB3 LYS A 129 110.833 -4.158 -12.989 1.00 0.00 H new ATOM 0 HG2 LYS A 129 112.149 -3.453 -14.820 1.00 0.00 H new ATOM 0 HG3 LYS A 129 113.508 -3.005 -13.809 1.00 0.00 H new ATOM 0 HD2 LYS A 129 114.052 -5.366 -13.379 1.00 0.00 H new ATOM 0 HD3 LYS A 129 112.587 -5.899 -14.179 1.00 0.00 H new ATOM 0 HE2 LYS A 129 114.815 -4.315 -15.558 1.00 0.00 H new ATOM 0 HE3 LYS A 129 114.649 -6.057 -15.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 113.496 -5.387 -17.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 112.225 -5.472 -16.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 112.904 -3.969 -16.784 1.00 0.00 H new ATOM 2076 N LYS A 130 112.086 -0.878 -13.927 1.00 0.00 N ATOM 2077 CA LYS A 130 111.641 0.114 -14.947 1.00 0.00 C ATOM 2078 C LYS A 130 110.409 -0.416 -15.684 1.00 0.00 C ATOM 2079 O LYS A 130 110.350 -1.566 -16.068 1.00 0.00 O ATOM 2080 CB LYS A 130 112.770 0.354 -15.951 1.00 0.00 C ATOM 2081 CG LYS A 130 113.478 -0.969 -16.251 1.00 0.00 C ATOM 2082 CD LYS A 130 114.476 -0.766 -17.394 1.00 0.00 C ATOM 2083 CE LYS A 130 115.437 -1.955 -17.450 1.00 0.00 C ATOM 2084 NZ LYS A 130 116.475 -1.705 -18.490 1.00 0.00 N ATOM 0 H LYS A 130 113.086 -1.079 -13.925 1.00 0.00 H new ATOM 0 HA LYS A 130 111.387 1.050 -14.450 1.00 0.00 H new ATOM 0 HB2 LYS A 130 112.369 0.780 -16.870 1.00 0.00 H new ATOM 0 HB3 LYS A 130 113.481 1.076 -15.549 1.00 0.00 H new ATOM 0 HG2 LYS A 130 113.996 -1.327 -15.361 1.00 0.00 H new ATOM 0 HG3 LYS A 130 112.748 -1.731 -16.523 1.00 0.00 H new ATOM 0 HD2 LYS A 130 113.945 -0.669 -18.341 1.00 0.00 H new ATOM 0 HD3 LYS A 130 115.033 0.159 -17.244 1.00 0.00 H new ATOM 0 HE2 LYS A 130 115.908 -2.102 -16.478 1.00 0.00 H new ATOM 0 HE3 LYS A 130 114.889 -2.869 -17.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 117.129 -2.513 -18.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 116.017 -1.585 -19.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 117.004 -0.842 -18.252 1.00 0.00 H new ATOM 2098 N ASP A 131 109.424 0.418 -15.882 1.00 0.00 N ATOM 2099 CA ASP A 131 108.196 -0.034 -16.593 1.00 0.00 C ATOM 2100 C ASP A 131 108.589 -0.721 -17.904 1.00 0.00 C ATOM 2101 O ASP A 131 109.341 -0.127 -18.658 1.00 0.00 O ATOM 2102 CB ASP A 131 107.308 1.173 -16.897 1.00 0.00 C ATOM 2103 CG ASP A 131 108.184 2.379 -17.243 1.00 0.00 C ATOM 2104 OD1 ASP A 131 107.675 3.486 -17.208 1.00 0.00 O ATOM 2105 OD2 ASP A 131 109.349 2.172 -17.539 1.00 0.00 O ATOM 0 H ASP A 131 109.418 1.393 -15.582 1.00 0.00 H new ATOM 0 HA ASP A 131 107.650 -0.737 -15.963 1.00 0.00 H new ATOM 0 HB2 ASP A 131 106.640 0.946 -17.727 1.00 0.00 H new ATOM 0 HB3 ASP A 131 106.680 1.402 -16.036 1.00 0.00 H new TER 2110 ASP A 131