USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 865 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 110 HIS : no HD1:sc= -3.08! C(o=-3.7!,f=-6.1!) USER MOD Set 1.2: A 130 SER OG : rot 170:sc= -0.647 USER MOD Set 2.1: A 69 THR OG1 : rot 80:sc= 0.955 USER MOD Set 2.2: A 74 SER OG : rot 54:sc= 0.905 USER MOD Single : A 44 SER OG : rot -28:sc= 0.306 USER MOD Single : A 52 LYS NZ :NH3+ 170:sc= -1.59! (180deg=-1.91!) USER MOD Single : A 62 THR OG1 : rot -80:sc= 0.732 USER MOD Single : A 63 ASN : amide:sc= -1.21 X(o=-1.2,f=-1.5) USER MOD Single : A 67 CYS SG : rot -93:sc= 0.124! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.43) USER MOD Single : A 78 GLN : amide:sc= -0.0576 K(o=-0.058,f=-1.1) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.546 F(o=-4.3!,f=-0.55) USER MOD Single : A 80 GLN : amide:sc=0.000629 K(o=0.00063,f=-0.87) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.802 X(o=-0.8,f=-0.85) USER MOD Single : A 92 TYR OH : rot 180:sc= -0.0862 USER MOD Single : A 93 LYS NZ :NH3+ 160:sc= -0.199 (180deg=-0.901) USER MOD Single : A 94 HIS : no HE2:sc= -4.9! C(o=-4.9!,f=-9.1!) USER MOD Single : A 95 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.037) USER MOD Single : A 96 ASN : amide:sc= -1.16 K(o=-1.2,f=-5.7!) USER MOD Single : A 97 MET CE :methyl 144:sc= -0.69 (180deg=-2.9!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 105 ASN :FLIP amide:sc= -0.479 F(o=-3.6!,f=-0.48) USER MOD Single : A 106 MET CE :methyl -179:sc= -0.082 (180deg=-0.0835) USER MOD Single : A 107 TYR OH : rot -123:sc= 1.45 USER MOD Single : A 111 LYS NZ :NH3+ -136:sc= -7.36! (180deg=-11.8!) USER MOD Single : A 113 THR OG1 : rot 163:sc= 0.601 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN :FLIP amide:sc= -0.943 F(o=-3.1!,f=-0.94) USER MOD Single : A 131 HIS : no HD1:sc= -2.14 X(o=-2.1,f=-1.9) USER MOD Single : A 135 LYS NZ :NH3+ -129:sc= -1.25! (180deg=-4.51!) USER MOD Single : A 137 ASN : amide:sc= -3.71! C(o=-3.7!,f=-11!) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 144 GLN : amide:sc= -11! C(o=-11!,f=-20!) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 LYS NZ :NH3+ 177:sc= -2.46! (180deg=-2.59) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 43 20.706 -4.928 -2.834 1.00 0.00 N ATOM 2 CA GLY A 43 21.888 -4.054 -2.588 1.00 0.00 C ATOM 3 C GLY A 43 21.440 -2.591 -2.541 1.00 0.00 C ATOM 4 O GLY A 43 22.249 -1.684 -2.566 1.00 0.00 O ATOM 0 HA2 GLY A 43 22.368 -4.329 -1.649 1.00 0.00 H new ATOM 0 HA3 GLY A 43 22.628 -4.194 -3.376 1.00 0.00 H new ATOM 8 N SER A 44 20.159 -2.355 -2.472 1.00 0.00 N ATOM 9 CA SER A 44 19.660 -0.952 -2.423 1.00 0.00 C ATOM 10 C SER A 44 19.789 -0.415 -0.996 1.00 0.00 C ATOM 11 O SER A 44 19.419 0.707 -0.710 1.00 0.00 O ATOM 12 CB SER A 44 18.192 -0.917 -2.849 1.00 0.00 C ATOM 13 OG SER A 44 17.746 0.431 -2.889 1.00 0.00 O ATOM 0 H SER A 44 19.436 -3.074 -2.447 1.00 0.00 H new ATOM 0 HA SER A 44 20.249 -0.333 -3.100 1.00 0.00 H new ATOM 0 HB2 SER A 44 18.075 -1.380 -3.829 1.00 0.00 H new ATOM 0 HB3 SER A 44 17.585 -1.492 -2.150 1.00 0.00 H new ATOM 0 HG SER A 44 18.264 0.966 -2.252 1.00 0.00 H new ATOM 19 N GLY A 45 20.309 -1.206 -0.098 1.00 0.00 N ATOM 20 CA GLY A 45 20.459 -0.738 1.310 1.00 0.00 C ATOM 21 C GLY A 45 19.092 -0.735 1.994 1.00 0.00 C ATOM 22 O GLY A 45 18.984 -0.933 3.188 1.00 0.00 O ATOM 0 H GLY A 45 20.636 -2.155 -0.278 1.00 0.00 H new ATOM 0 HA2 GLY A 45 21.146 -1.389 1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 45 20.889 0.264 1.328 1.00 0.00 H new ATOM 26 N VAL A 46 18.045 -0.510 1.248 1.00 0.00 N ATOM 27 CA VAL A 46 16.685 -0.493 1.854 1.00 0.00 C ATOM 28 C VAL A 46 16.506 -1.761 2.726 1.00 0.00 C ATOM 29 O VAL A 46 16.697 -2.847 2.222 1.00 0.00 O ATOM 30 CB VAL A 46 15.648 -0.510 0.729 1.00 0.00 C ATOM 31 CG1 VAL A 46 14.245 -0.389 1.321 1.00 0.00 C ATOM 32 CG2 VAL A 46 15.904 0.665 -0.217 1.00 0.00 C ATOM 0 H VAL A 46 18.074 -0.337 0.243 1.00 0.00 H new ATOM 0 HA VAL A 46 16.558 0.398 2.468 1.00 0.00 H new ATOM 0 HB VAL A 46 15.728 -1.447 0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 46 13.509 -0.401 0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 46 14.061 -1.226 1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 46 14.163 0.547 1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 46 15.166 0.654 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 46 15.825 1.601 0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 46 16.904 0.578 -0.643 1.00 0.00 H new ATOM 42 N PRO A 47 16.155 -1.622 4.002 1.00 0.00 N ATOM 43 CA PRO A 47 15.976 -2.807 4.874 1.00 0.00 C ATOM 44 C PRO A 47 14.757 -3.631 4.411 1.00 0.00 C ATOM 45 O PRO A 47 13.749 -3.702 5.085 1.00 0.00 O ATOM 46 CB PRO A 47 15.763 -2.223 6.294 1.00 0.00 C ATOM 47 CG PRO A 47 15.539 -0.694 6.131 1.00 0.00 C ATOM 48 CD PRO A 47 15.918 -0.324 4.682 1.00 0.00 C ATOM 0 HA PRO A 47 16.829 -3.485 4.845 1.00 0.00 H new ATOM 0 HB2 PRO A 47 14.904 -2.689 6.777 1.00 0.00 H new ATOM 0 HB3 PRO A 47 16.629 -2.420 6.925 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.500 -0.435 6.334 1.00 0.00 H new ATOM 0 HG3 PRO A 47 16.151 -0.139 6.842 1.00 0.00 H new ATOM 0 HD2 PRO A 47 15.119 0.236 4.196 1.00 0.00 H new ATOM 0 HD3 PRO A 47 16.809 0.304 4.655 1.00 0.00 H new ATOM 56 N ALA A 48 14.853 -4.262 3.266 1.00 0.00 N ATOM 57 CA ALA A 48 13.719 -5.092 2.749 1.00 0.00 C ATOM 58 C ALA A 48 12.379 -4.399 3.018 1.00 0.00 C ATOM 59 O ALA A 48 12.312 -3.198 3.186 1.00 0.00 O ATOM 60 CB ALA A 48 13.731 -6.456 3.444 1.00 0.00 C ATOM 0 H ALA A 48 15.675 -4.238 2.662 1.00 0.00 H new ATOM 0 HA ALA A 48 13.840 -5.220 1.673 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.906 -7.062 3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.675 -6.961 3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.620 -6.317 4.519 1.00 0.00 H new ATOM 66 N PHE A 49 11.314 -5.155 3.066 1.00 0.00 N ATOM 67 CA PHE A 49 9.971 -4.560 3.327 1.00 0.00 C ATOM 68 C PHE A 49 9.650 -3.509 2.260 1.00 0.00 C ATOM 69 O PHE A 49 8.890 -3.755 1.344 1.00 0.00 O ATOM 70 CB PHE A 49 9.959 -3.908 4.715 1.00 0.00 C ATOM 71 CG PHE A 49 8.532 -3.635 5.134 1.00 0.00 C ATOM 72 CD1 PHE A 49 7.825 -2.556 4.569 1.00 0.00 C ATOM 73 CD2 PHE A 49 7.908 -4.461 6.090 1.00 0.00 C ATOM 74 CE1 PHE A 49 6.497 -2.302 4.959 1.00 0.00 C ATOM 75 CE2 PHE A 49 6.578 -4.206 6.481 1.00 0.00 C ATOM 76 CZ PHE A 49 5.873 -3.126 5.915 1.00 0.00 C ATOM 0 H PHE A 49 11.317 -6.166 2.935 1.00 0.00 H new ATOM 0 HA PHE A 49 9.217 -5.347 3.290 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.443 -4.563 5.440 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.528 -2.978 4.696 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.302 -1.923 3.836 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.449 -5.289 6.523 1.00 0.00 H new ATOM 0 HE1 PHE A 49 5.956 -1.474 4.525 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.100 -4.838 7.214 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.854 -2.930 6.214 1.00 0.00 H new ATOM 86 N LEU A 50 10.215 -2.339 2.372 1.00 0.00 N ATOM 87 CA LEU A 50 9.936 -1.274 1.368 1.00 0.00 C ATOM 88 C LEU A 50 10.354 -1.758 -0.024 1.00 0.00 C ATOM 89 O LEU A 50 9.602 -1.668 -0.973 1.00 0.00 O ATOM 90 CB LEU A 50 10.731 -0.014 1.735 1.00 0.00 C ATOM 91 CG LEU A 50 10.049 0.722 2.909 1.00 0.00 C ATOM 92 CD1 LEU A 50 11.085 1.560 3.666 1.00 0.00 C ATOM 93 CD2 LEU A 50 8.947 1.653 2.384 1.00 0.00 C ATOM 0 H LEU A 50 10.859 -2.074 3.117 1.00 0.00 H new ATOM 0 HA LEU A 50 8.870 -1.046 1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.751 -0.285 2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.798 0.647 0.871 1.00 0.00 H new ATOM 0 HG LEU A 50 9.611 -0.020 3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.600 2.078 4.493 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.867 0.908 4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.526 2.292 2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.474 2.166 3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.383 2.388 1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.200 1.067 1.849 1.00 0.00 H new ATOM 105 N ALA A 51 11.547 -2.268 -0.152 1.00 0.00 N ATOM 106 CA ALA A 51 12.008 -2.752 -1.484 1.00 0.00 C ATOM 107 C ALA A 51 11.026 -3.796 -2.018 1.00 0.00 C ATOM 108 O ALA A 51 10.846 -3.941 -3.210 1.00 0.00 O ATOM 109 CB ALA A 51 13.397 -3.380 -1.346 1.00 0.00 C ATOM 0 H ALA A 51 12.222 -2.371 0.606 1.00 0.00 H new ATOM 0 HA ALA A 51 12.056 -1.913 -2.178 1.00 0.00 H new ATOM 0 HB1 ALA A 51 13.735 -3.734 -2.320 1.00 0.00 H new ATOM 0 HB2 ALA A 51 14.097 -2.635 -0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 51 13.350 -4.219 -0.651 1.00 0.00 H new ATOM 115 N LYS A 52 10.386 -4.525 -1.144 1.00 0.00 N ATOM 116 CA LYS A 52 9.416 -5.557 -1.605 1.00 0.00 C ATOM 117 C LYS A 52 8.173 -4.867 -2.171 1.00 0.00 C ATOM 118 O LYS A 52 7.674 -5.229 -3.218 1.00 0.00 O ATOM 119 CB LYS A 52 9.024 -6.451 -0.426 1.00 0.00 C ATOM 120 CG LYS A 52 10.270 -6.759 0.411 1.00 0.00 C ATOM 121 CD LYS A 52 9.939 -7.802 1.499 1.00 0.00 C ATOM 122 CE LYS A 52 10.118 -9.223 0.946 1.00 0.00 C ATOM 123 NZ LYS A 52 9.338 -10.181 1.778 1.00 0.00 N ATOM 0 H LYS A 52 10.493 -4.450 -0.132 1.00 0.00 H new ATOM 0 HA LYS A 52 9.873 -6.170 -2.382 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.273 -5.954 0.188 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.578 -7.377 -0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.065 -7.135 -0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.640 -5.845 0.875 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.588 -7.656 2.362 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.914 -7.665 1.844 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.782 -9.267 -0.090 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.173 -9.496 0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.319 -11.110 1.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.784 -10.272 2.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.365 -9.831 1.891 1.00 0.00 H new ATOM 137 N LEU A 53 7.672 -3.871 -1.492 1.00 0.00 N ATOM 138 CA LEU A 53 6.467 -3.158 -2.000 1.00 0.00 C ATOM 139 C LEU A 53 6.766 -2.613 -3.398 1.00 0.00 C ATOM 140 O LEU A 53 5.893 -2.512 -4.237 1.00 0.00 O ATOM 141 CB LEU A 53 6.119 -1.998 -1.056 1.00 0.00 C ATOM 142 CG LEU A 53 5.412 -2.531 0.209 1.00 0.00 C ATOM 143 CD1 LEU A 53 5.608 -1.544 1.364 1.00 0.00 C ATOM 144 CD2 LEU A 53 3.908 -2.692 -0.053 1.00 0.00 C ATOM 0 H LEU A 53 8.045 -3.521 -0.609 1.00 0.00 H new ATOM 0 HA LEU A 53 5.622 -3.845 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.027 -1.463 -0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.474 -1.284 -1.568 1.00 0.00 H new ATOM 0 HG LEU A 53 5.843 -3.498 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.108 -1.923 2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.673 -1.428 1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.183 -0.578 1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.420 -3.068 0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.480 -1.726 -0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.754 -3.396 -0.871 1.00 0.00 H new ATOM 156 N TRP A 54 7.997 -2.268 -3.655 1.00 0.00 N ATOM 157 CA TRP A 54 8.359 -1.735 -4.999 1.00 0.00 C ATOM 158 C TRP A 54 8.168 -2.839 -6.043 1.00 0.00 C ATOM 159 O TRP A 54 7.665 -2.603 -7.124 1.00 0.00 O ATOM 160 CB TRP A 54 9.822 -1.275 -4.981 1.00 0.00 C ATOM 161 CG TRP A 54 10.272 -0.942 -6.371 1.00 0.00 C ATOM 162 CD1 TRP A 54 11.254 -1.588 -7.041 1.00 0.00 C ATOM 163 CD2 TRP A 54 9.779 0.099 -7.264 1.00 0.00 C ATOM 164 NE1 TRP A 54 11.396 -1.014 -8.293 1.00 0.00 N ATOM 165 CE2 TRP A 54 10.513 0.029 -8.480 1.00 0.00 C ATOM 166 CE3 TRP A 54 8.777 1.089 -7.144 1.00 0.00 C ATOM 167 CZ2 TRP A 54 10.260 0.911 -9.541 1.00 0.00 C ATOM 168 CZ3 TRP A 54 8.520 1.980 -8.208 1.00 0.00 C ATOM 169 CH2 TRP A 54 9.261 1.889 -9.404 1.00 0.00 C ATOM 0 H TRP A 54 8.769 -2.332 -2.992 1.00 0.00 H new ATOM 0 HA TRP A 54 7.721 -0.888 -5.251 1.00 0.00 H new ATOM 0 HB2 TRP A 54 9.930 -0.403 -4.336 1.00 0.00 H new ATOM 0 HB3 TRP A 54 10.453 -2.059 -4.564 1.00 0.00 H new ATOM 0 HD1 TRP A 54 11.833 -2.417 -6.661 1.00 0.00 H new ATOM 0 HE1 TRP A 54 12.071 -1.325 -8.992 1.00 0.00 H new ATOM 0 HE3 TRP A 54 8.204 1.164 -6.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 10.829 0.839 -10.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 7.753 2.734 -8.106 1.00 0.00 H new ATOM 0 HH2 TRP A 54 9.060 2.572 -10.216 1.00 0.00 H new ATOM 180 N ARG A 55 8.563 -4.041 -5.728 1.00 0.00 N ATOM 181 CA ARG A 55 8.401 -5.158 -6.702 1.00 0.00 C ATOM 182 C ARG A 55 6.949 -5.640 -6.679 1.00 0.00 C ATOM 183 O ARG A 55 6.482 -6.278 -7.602 1.00 0.00 O ATOM 184 CB ARG A 55 9.326 -6.316 -6.314 1.00 0.00 C ATOM 185 CG ARG A 55 10.757 -5.800 -6.126 1.00 0.00 C ATOM 186 CD ARG A 55 11.320 -5.311 -7.466 1.00 0.00 C ATOM 187 NE ARG A 55 12.806 -5.246 -7.383 1.00 0.00 N ATOM 188 CZ ARG A 55 13.517 -5.144 -8.473 1.00 0.00 C ATOM 189 NH1 ARG A 55 12.924 -5.098 -9.635 1.00 0.00 N ATOM 190 NH2 ARG A 55 14.818 -5.088 -8.401 1.00 0.00 N ATOM 0 H ARG A 55 8.991 -4.299 -4.839 1.00 0.00 H new ATOM 0 HA ARG A 55 8.658 -4.809 -7.702 1.00 0.00 H new ATOM 0 HB2 ARG A 55 8.974 -6.781 -5.393 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.306 -7.084 -7.087 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.766 -4.987 -5.400 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.388 -6.593 -5.725 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.018 -5.985 -8.268 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.915 -4.328 -7.707 1.00 0.00 H new ATOM 0 HE ARG A 55 13.268 -5.281 -6.474 1.00 0.00 H new ATOM 0 HH11 ARG A 55 11.906 -5.142 -9.690 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.478 -5.018 -10.488 1.00 0.00 H new ATOM 0 HH21 ARG A 55 15.281 -5.124 -7.493 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.373 -5.008 -9.253 1.00 0.00 H new ATOM 204 N LEU A 56 6.230 -5.340 -5.631 1.00 0.00 N ATOM 205 CA LEU A 56 4.809 -5.781 -5.548 1.00 0.00 C ATOM 206 C LEU A 56 3.934 -4.830 -6.367 1.00 0.00 C ATOM 207 O LEU A 56 3.198 -5.245 -7.241 1.00 0.00 O ATOM 208 CB LEU A 56 4.354 -5.760 -4.081 1.00 0.00 C ATOM 209 CG LEU A 56 2.971 -6.435 -3.940 1.00 0.00 C ATOM 210 CD1 LEU A 56 3.132 -7.961 -3.799 1.00 0.00 C ATOM 211 CD2 LEU A 56 2.251 -5.884 -2.697 1.00 0.00 C ATOM 0 H LEU A 56 6.566 -4.808 -4.828 1.00 0.00 H new ATOM 0 HA LEU A 56 4.716 -6.792 -5.943 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.084 -6.278 -3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.303 -4.732 -3.723 1.00 0.00 H new ATOM 0 HG LEU A 56 2.384 -6.219 -4.833 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.150 -8.423 -3.701 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.632 -8.357 -4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.728 -8.184 -2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.276 -6.361 -2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.847 -6.093 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.119 -4.807 -2.801 1.00 0.00 H new ATOM 223 N VAL A 57 4.007 -3.557 -6.091 1.00 0.00 N ATOM 224 CA VAL A 57 3.178 -2.579 -6.853 1.00 0.00 C ATOM 225 C VAL A 57 3.299 -2.863 -8.355 1.00 0.00 C ATOM 226 O VAL A 57 2.386 -2.617 -9.117 1.00 0.00 O ATOM 227 CB VAL A 57 3.667 -1.161 -6.550 1.00 0.00 C ATOM 228 CG1 VAL A 57 2.962 -0.162 -7.470 1.00 0.00 C ATOM 229 CG2 VAL A 57 3.351 -0.816 -5.093 1.00 0.00 C ATOM 0 H VAL A 57 4.605 -3.151 -5.371 1.00 0.00 H new ATOM 0 HA VAL A 57 2.133 -2.673 -6.557 1.00 0.00 H new ATOM 0 HB VAL A 57 4.743 -1.108 -6.717 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.314 0.846 -7.250 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.184 -0.405 -8.509 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.886 -0.214 -7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.698 0.194 -4.875 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.275 -0.872 -4.931 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.855 -1.523 -4.434 1.00 0.00 H new ATOM 239 N ASP A 58 4.419 -3.379 -8.784 1.00 0.00 N ATOM 240 CA ASP A 58 4.598 -3.679 -10.234 1.00 0.00 C ATOM 241 C ASP A 58 3.996 -5.051 -10.549 1.00 0.00 C ATOM 242 O ASP A 58 2.969 -5.423 -10.017 1.00 0.00 O ATOM 243 CB ASP A 58 6.090 -3.689 -10.572 1.00 0.00 C ATOM 244 CG ASP A 58 6.712 -2.348 -10.180 1.00 0.00 C ATOM 245 OD1 ASP A 58 6.475 -1.911 -9.066 1.00 0.00 O ATOM 246 OD2 ASP A 58 7.414 -1.780 -11.001 1.00 0.00 O ATOM 0 H ASP A 58 5.218 -3.606 -8.193 1.00 0.00 H new ATOM 0 HA ASP A 58 4.095 -2.916 -10.828 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.588 -4.501 -10.043 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.231 -3.869 -11.638 1.00 0.00 H new ATOM 251 N ASP A 59 4.630 -5.804 -11.408 1.00 0.00 N ATOM 252 CA ASP A 59 4.100 -7.154 -11.759 1.00 0.00 C ATOM 253 C ASP A 59 2.632 -7.040 -12.180 1.00 0.00 C ATOM 254 O ASP A 59 1.745 -6.931 -11.357 1.00 0.00 O ATOM 255 CB ASP A 59 4.216 -8.081 -10.547 1.00 0.00 C ATOM 256 CG ASP A 59 5.692 -8.338 -10.239 1.00 0.00 C ATOM 257 OD1 ASP A 59 6.512 -7.534 -10.654 1.00 0.00 O ATOM 258 OD2 ASP A 59 5.978 -9.333 -9.594 1.00 0.00 O ATOM 0 H ASP A 59 5.494 -5.542 -11.883 1.00 0.00 H new ATOM 0 HA ASP A 59 4.680 -7.564 -12.586 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.727 -7.631 -9.683 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.706 -9.023 -10.747 1.00 0.00 H new ATOM 263 N ALA A 60 2.370 -7.065 -13.458 1.00 0.00 N ATOM 264 CA ALA A 60 0.962 -6.957 -13.935 1.00 0.00 C ATOM 265 C ALA A 60 0.126 -8.090 -13.335 1.00 0.00 C ATOM 266 O ALA A 60 -1.082 -8.003 -13.249 1.00 0.00 O ATOM 267 CB ALA A 60 0.932 -7.057 -15.462 1.00 0.00 C ATOM 0 H ALA A 60 3.071 -7.156 -14.193 1.00 0.00 H new ATOM 0 HA ALA A 60 0.548 -5.998 -13.623 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.097 -6.978 -15.812 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.524 -6.249 -15.891 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.348 -8.016 -15.772 1.00 0.00 H new ATOM 273 N ASP A 61 0.759 -9.154 -12.922 1.00 0.00 N ATOM 274 CA ASP A 61 -0.002 -10.290 -12.330 1.00 0.00 C ATOM 275 C ASP A 61 -0.511 -9.900 -10.940 1.00 0.00 C ATOM 276 O ASP A 61 -0.855 -10.743 -10.136 1.00 0.00 O ATOM 277 CB ASP A 61 0.914 -11.510 -12.214 1.00 0.00 C ATOM 278 CG ASP A 61 0.072 -12.755 -11.931 1.00 0.00 C ATOM 279 OD1 ASP A 61 -0.501 -13.286 -12.868 1.00 0.00 O ATOM 280 OD2 ASP A 61 0.013 -13.158 -10.780 1.00 0.00 O ATOM 0 H ASP A 61 1.769 -9.285 -12.969 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.851 -10.530 -12.971 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.480 -11.642 -13.136 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.639 -11.359 -11.414 1.00 0.00 H new ATOM 285 N THR A 62 -0.561 -8.625 -10.651 1.00 0.00 N ATOM 286 CA THR A 62 -1.044 -8.165 -9.313 1.00 0.00 C ATOM 287 C THR A 62 -1.904 -6.910 -9.494 1.00 0.00 C ATOM 288 O THR A 62 -2.304 -6.277 -8.539 1.00 0.00 O ATOM 289 CB THR A 62 0.161 -7.835 -8.428 1.00 0.00 C ATOM 290 OG1 THR A 62 0.609 -6.518 -8.712 1.00 0.00 O ATOM 291 CG2 THR A 62 1.290 -8.829 -8.711 1.00 0.00 C ATOM 0 H THR A 62 -0.286 -7.878 -11.288 1.00 0.00 H new ATOM 0 HA THR A 62 -1.637 -8.950 -8.843 1.00 0.00 H new ATOM 0 HB THR A 62 -0.129 -7.903 -7.379 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.152 -6.526 -9.528 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.148 -8.594 -8.081 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.947 -9.841 -8.494 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.580 -8.761 -9.759 1.00 0.00 H new ATOM 299 N ASN A 63 -2.188 -6.542 -10.716 1.00 0.00 N ATOM 300 CA ASN A 63 -3.019 -5.325 -10.959 1.00 0.00 C ATOM 301 C ASN A 63 -4.368 -5.471 -10.250 1.00 0.00 C ATOM 302 O ASN A 63 -4.971 -4.503 -9.830 1.00 0.00 O ATOM 303 CB ASN A 63 -3.253 -5.163 -12.462 1.00 0.00 C ATOM 304 CG ASN A 63 -1.930 -4.822 -13.151 1.00 0.00 C ATOM 305 OD1 ASN A 63 -1.634 -5.335 -14.212 1.00 0.00 O ATOM 306 ND2 ASN A 63 -1.116 -3.972 -12.588 1.00 0.00 N ATOM 0 H ASN A 63 -1.881 -7.031 -11.556 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.499 -4.449 -10.571 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -3.665 -6.082 -12.878 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.984 -4.375 -12.644 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -0.231 -3.738 -13.038 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.364 -3.541 -11.697 1.00 0.00 H new ATOM 313 N ARG A 64 -4.846 -6.676 -10.118 1.00 0.00 N ATOM 314 CA ARG A 64 -6.156 -6.903 -9.444 1.00 0.00 C ATOM 315 C ARG A 64 -6.030 -6.612 -7.946 1.00 0.00 C ATOM 316 O ARG A 64 -6.784 -5.845 -7.384 1.00 0.00 O ATOM 317 CB ARG A 64 -6.572 -8.369 -9.661 1.00 0.00 C ATOM 318 CG ARG A 64 -7.575 -8.835 -8.575 1.00 0.00 C ATOM 319 CD ARG A 64 -8.522 -9.892 -9.152 1.00 0.00 C ATOM 320 NE ARG A 64 -9.630 -9.216 -9.884 1.00 0.00 N ATOM 321 CZ ARG A 64 -10.385 -9.899 -10.700 1.00 0.00 C ATOM 322 NH1 ARG A 64 -10.171 -11.175 -10.875 1.00 0.00 N ATOM 323 NH2 ARG A 64 -11.356 -9.307 -11.340 1.00 0.00 N ATOM 0 H ARG A 64 -4.382 -7.521 -10.451 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.910 -6.237 -9.864 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.023 -8.479 -10.647 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.688 -9.007 -9.641 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.035 -9.246 -7.722 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.148 -7.983 -8.209 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.978 -10.555 -9.825 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.925 -10.511 -8.351 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.798 -8.219 -9.747 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.413 -11.638 -10.374 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.762 -11.708 -11.513 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.525 -8.311 -11.202 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.946 -9.841 -11.978 1.00 0.00 H new ATOM 337 N LEU A 65 -5.115 -7.261 -7.293 1.00 0.00 N ATOM 338 CA LEU A 65 -4.970 -7.076 -5.826 1.00 0.00 C ATOM 339 C LEU A 65 -4.214 -5.783 -5.512 1.00 0.00 C ATOM 340 O LEU A 65 -4.267 -5.292 -4.410 1.00 0.00 O ATOM 341 CB LEU A 65 -4.209 -8.270 -5.241 1.00 0.00 C ATOM 342 CG LEU A 65 -4.762 -9.595 -5.794 1.00 0.00 C ATOM 343 CD1 LEU A 65 -3.781 -10.722 -5.485 1.00 0.00 C ATOM 344 CD2 LEU A 65 -6.109 -9.916 -5.138 1.00 0.00 C ATOM 0 H LEU A 65 -4.456 -7.916 -7.714 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.963 -7.010 -5.381 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.149 -8.185 -5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.291 -8.262 -4.154 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.896 -9.500 -6.872 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.171 -11.662 -5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.820 -10.506 -5.952 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.650 -10.805 -4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.493 -10.856 -5.536 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.976 -10.006 -4.060 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.817 -9.116 -5.351 1.00 0.00 H new ATOM 356 N ILE A 66 -3.514 -5.218 -6.454 1.00 0.00 N ATOM 357 CA ILE A 66 -2.777 -3.952 -6.157 1.00 0.00 C ATOM 358 C ILE A 66 -2.430 -3.234 -7.461 1.00 0.00 C ATOM 359 O ILE A 66 -1.940 -3.831 -8.397 1.00 0.00 O ATOM 360 CB ILE A 66 -1.497 -4.278 -5.379 1.00 0.00 C ATOM 361 CG1 ILE A 66 -0.684 -2.994 -5.169 1.00 0.00 C ATOM 362 CG2 ILE A 66 -0.664 -5.292 -6.164 1.00 0.00 C ATOM 363 CD1 ILE A 66 0.456 -3.250 -4.175 1.00 0.00 C ATOM 0 H ILE A 66 -3.418 -5.570 -7.407 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.407 -3.298 -5.554 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.760 -4.702 -4.410 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.277 -2.652 -6.121 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.332 -2.201 -4.795 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.246 -5.523 -5.610 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.243 -6.205 -6.308 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.401 -4.873 -7.135 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.027 -2.333 -4.033 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.041 -3.571 -3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.111 -4.029 -4.566 1.00 0.00 H new ATOM 375 N CYS A 67 -2.680 -1.952 -7.531 1.00 0.00 N ATOM 376 CA CYS A 67 -2.367 -1.191 -8.779 1.00 0.00 C ATOM 377 C CYS A 67 -2.077 0.272 -8.433 1.00 0.00 C ATOM 378 O CYS A 67 -2.088 0.663 -7.282 1.00 0.00 O ATOM 379 CB CYS A 67 -3.562 -1.263 -9.730 1.00 0.00 C ATOM 380 SG CYS A 67 -3.055 -0.717 -11.380 1.00 0.00 S ATOM 0 H CYS A 67 -3.088 -1.398 -6.778 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.491 -1.627 -9.259 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.944 -2.283 -9.774 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.373 -0.635 -9.361 1.00 0.00 H new ATOM 0 HG CYS A 67 -3.294 0.554 -11.509 1.00 0.00 H new ATOM 386 N TRP A 68 -1.815 1.083 -9.424 1.00 0.00 N ATOM 387 CA TRP A 68 -1.519 2.525 -9.164 1.00 0.00 C ATOM 388 C TRP A 68 -2.819 3.332 -9.187 1.00 0.00 C ATOM 389 O TRP A 68 -3.770 2.978 -9.855 1.00 0.00 O ATOM 390 CB TRP A 68 -0.591 3.057 -10.259 1.00 0.00 C ATOM 391 CG TRP A 68 0.777 2.479 -10.091 1.00 0.00 C ATOM 392 CD1 TRP A 68 1.197 1.307 -10.623 1.00 0.00 C ATOM 393 CD2 TRP A 68 1.912 3.027 -9.359 1.00 0.00 C ATOM 394 NE1 TRP A 68 2.517 1.098 -10.265 1.00 0.00 N ATOM 395 CE2 TRP A 68 3.005 2.127 -9.485 1.00 0.00 C ATOM 396 CE3 TRP A 68 2.100 4.207 -8.602 1.00 0.00 C ATOM 397 CZ2 TRP A 68 4.243 2.389 -8.882 1.00 0.00 C ATOM 398 CZ3 TRP A 68 3.344 4.475 -7.992 1.00 0.00 C ATOM 399 CH2 TRP A 68 4.413 3.566 -8.132 1.00 0.00 C ATOM 0 H TRP A 68 -1.793 0.809 -10.406 1.00 0.00 H new ATOM 0 HA TRP A 68 -1.043 2.622 -8.188 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -0.987 2.798 -11.241 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.544 4.145 -10.211 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.599 0.643 -11.229 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.063 0.283 -10.544 1.00 0.00 H new ATOM 0 HE3 TRP A 68 1.286 4.908 -8.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 5.060 1.692 -8.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 3.478 5.379 -7.416 1.00 0.00 H new ATOM 0 HH2 TRP A 68 5.363 3.774 -7.663 1.00 0.00 H new ATOM 410 N THR A 69 -2.862 4.427 -8.473 1.00 0.00 N ATOM 411 CA THR A 69 -4.094 5.270 -8.465 1.00 0.00 C ATOM 412 C THR A 69 -4.020 6.263 -9.627 1.00 0.00 C ATOM 413 O THR A 69 -3.273 6.074 -10.567 1.00 0.00 O ATOM 414 CB THR A 69 -4.182 6.036 -7.141 1.00 0.00 C ATOM 415 OG1 THR A 69 -2.931 6.651 -6.867 1.00 0.00 O ATOM 416 CG2 THR A 69 -4.536 5.069 -6.013 1.00 0.00 C ATOM 0 H THR A 69 -2.097 4.774 -7.895 1.00 0.00 H new ATOM 0 HA THR A 69 -4.976 4.639 -8.572 1.00 0.00 H new ATOM 0 HB THR A 69 -4.954 6.802 -7.215 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.851 7.476 -7.390 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.598 5.615 -5.072 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.497 4.599 -6.224 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.766 4.301 -5.937 1.00 0.00 H new ATOM 424 N LYS A 70 -4.786 7.320 -9.576 1.00 0.00 N ATOM 425 CA LYS A 70 -4.751 8.323 -10.681 1.00 0.00 C ATOM 426 C LYS A 70 -3.296 8.651 -11.030 1.00 0.00 C ATOM 427 O LYS A 70 -2.457 8.787 -10.162 1.00 0.00 O ATOM 428 CB LYS A 70 -5.466 9.600 -10.234 1.00 0.00 C ATOM 429 CG LYS A 70 -6.862 9.250 -9.714 1.00 0.00 C ATOM 430 CD LYS A 70 -7.662 10.536 -9.498 1.00 0.00 C ATOM 431 CE LYS A 70 -8.907 10.230 -8.662 1.00 0.00 C ATOM 432 NZ LYS A 70 -9.618 11.501 -8.349 1.00 0.00 N ATOM 0 H LYS A 70 -5.434 7.533 -8.818 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.252 7.912 -11.558 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.890 10.097 -9.454 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.542 10.298 -11.068 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.376 8.604 -10.426 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.785 8.695 -8.779 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.046 11.279 -8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.952 10.962 -10.459 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.568 9.556 -9.207 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.624 9.722 -7.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.464 11.295 -7.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.986 12.129 -7.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.901 11.968 -9.234 1.00 0.00 H new ATOM 446 N ASP A 71 -2.991 8.774 -12.292 1.00 0.00 N ATOM 447 CA ASP A 71 -1.590 9.088 -12.692 1.00 0.00 C ATOM 448 C ASP A 71 -0.635 8.105 -12.011 1.00 0.00 C ATOM 449 O ASP A 71 -0.337 7.050 -12.536 1.00 0.00 O ATOM 450 CB ASP A 71 -1.244 10.516 -12.265 1.00 0.00 C ATOM 451 CG ASP A 71 -1.936 11.510 -13.200 1.00 0.00 C ATOM 452 OD1 ASP A 71 -2.684 11.066 -14.055 1.00 0.00 O ATOM 453 OD2 ASP A 71 -1.708 12.698 -13.043 1.00 0.00 O ATOM 0 H ASP A 71 -3.650 8.671 -13.063 1.00 0.00 H new ATOM 0 HA ASP A 71 -1.492 9.000 -13.774 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.562 10.686 -11.236 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.165 10.664 -12.294 1.00 0.00 H new ATOM 458 N GLY A 72 -0.152 8.440 -10.845 1.00 0.00 N ATOM 459 CA GLY A 72 0.782 7.521 -10.133 1.00 0.00 C ATOM 460 C GLY A 72 1.374 8.232 -8.914 1.00 0.00 C ATOM 461 O GLY A 72 2.489 7.968 -8.512 1.00 0.00 O ATOM 0 H GLY A 72 -0.363 9.309 -10.355 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.254 6.620 -9.820 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.580 7.205 -10.805 1.00 0.00 H new ATOM 465 N GLN A 73 0.634 9.132 -8.321 1.00 0.00 N ATOM 466 CA GLN A 73 1.150 9.862 -7.125 1.00 0.00 C ATOM 467 C GLN A 73 0.729 9.122 -5.853 1.00 0.00 C ATOM 468 O GLN A 73 0.782 9.661 -4.766 1.00 0.00 O ATOM 469 CB GLN A 73 0.565 11.276 -7.103 1.00 0.00 C ATOM 470 CG GLN A 73 1.096 12.067 -8.300 1.00 0.00 C ATOM 471 CD GLN A 73 2.554 12.455 -8.051 1.00 0.00 C ATOM 472 OE1 GLN A 73 3.458 11.727 -8.411 1.00 0.00 O ATOM 473 NE2 GLN A 73 2.824 13.578 -7.443 1.00 0.00 N ATOM 0 H GLN A 73 -0.307 9.394 -8.614 1.00 0.00 H new ATOM 0 HA GLN A 73 2.238 9.914 -7.173 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.524 11.231 -7.137 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.834 11.778 -6.174 1.00 0.00 H new ATOM 0 HG2 GLN A 73 1.018 11.469 -9.208 1.00 0.00 H new ATOM 0 HG3 GLN A 73 0.492 12.961 -8.455 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.066 14.189 -7.141 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.793 13.844 -7.270 1.00 0.00 H new ATOM 482 N SER A 74 0.310 7.891 -5.980 1.00 0.00 N ATOM 483 CA SER A 74 -0.114 7.119 -4.776 1.00 0.00 C ATOM 484 C SER A 74 -0.477 5.689 -5.191 1.00 0.00 C ATOM 485 O SER A 74 -0.225 5.278 -6.308 1.00 0.00 O ATOM 486 CB SER A 74 -1.327 7.795 -4.139 1.00 0.00 C ATOM 487 OG SER A 74 -2.257 8.147 -5.154 1.00 0.00 O ATOM 0 H SER A 74 0.243 7.387 -6.864 1.00 0.00 H new ATOM 0 HA SER A 74 0.702 7.090 -4.054 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.795 7.124 -3.418 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.016 8.684 -3.591 1.00 0.00 H new ATOM 0 HG SER A 74 -2.475 7.354 -5.688 1.00 0.00 H new ATOM 493 N PHE A 75 -1.063 4.921 -4.306 1.00 0.00 N ATOM 494 CA PHE A 75 -1.428 3.514 -4.667 1.00 0.00 C ATOM 495 C PHE A 75 -2.690 3.089 -3.910 1.00 0.00 C ATOM 496 O PHE A 75 -3.011 3.623 -2.866 1.00 0.00 O ATOM 497 CB PHE A 75 -0.272 2.577 -4.301 1.00 0.00 C ATOM 498 CG PHE A 75 -0.082 2.561 -2.801 1.00 0.00 C ATOM 499 CD1 PHE A 75 0.432 3.695 -2.145 1.00 0.00 C ATOM 500 CD2 PHE A 75 -0.413 1.409 -2.058 1.00 0.00 C ATOM 501 CE1 PHE A 75 0.611 3.682 -0.749 1.00 0.00 C ATOM 502 CE2 PHE A 75 -0.234 1.395 -0.662 1.00 0.00 C ATOM 503 CZ PHE A 75 0.279 2.532 -0.006 1.00 0.00 C ATOM 0 H PHE A 75 -1.303 5.204 -3.356 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.620 3.458 -5.739 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.480 1.570 -4.661 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.645 2.907 -4.790 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.689 4.576 -2.714 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.804 0.537 -2.561 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.003 4.554 -0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.490 0.513 -0.094 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.417 2.522 1.065 1.00 0.00 H new ATOM 513 N VAL A 76 -3.410 2.127 -4.433 1.00 0.00 N ATOM 514 CA VAL A 76 -4.659 1.653 -3.756 1.00 0.00 C ATOM 515 C VAL A 76 -4.770 0.136 -3.892 1.00 0.00 C ATOM 516 O VAL A 76 -4.052 -0.489 -4.648 1.00 0.00 O ATOM 517 CB VAL A 76 -5.879 2.313 -4.409 1.00 0.00 C ATOM 518 CG1 VAL A 76 -5.881 2.019 -5.913 1.00 0.00 C ATOM 519 CG2 VAL A 76 -7.173 1.772 -3.781 1.00 0.00 C ATOM 0 H VAL A 76 -3.186 1.647 -5.304 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.621 1.922 -2.700 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.826 3.390 -4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.749 2.489 -6.375 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.971 2.417 -6.363 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.924 0.942 -6.073 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.033 2.248 -4.253 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.227 0.694 -3.931 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.178 1.990 -2.713 1.00 0.00 H new ATOM 529 N ILE A 77 -5.675 -0.453 -3.157 1.00 0.00 N ATOM 530 CA ILE A 77 -5.873 -1.937 -3.208 1.00 0.00 C ATOM 531 C ILE A 77 -7.367 -2.212 -3.430 1.00 0.00 C ATOM 532 O ILE A 77 -8.210 -1.435 -3.032 1.00 0.00 O ATOM 533 CB ILE A 77 -5.403 -2.554 -1.873 1.00 0.00 C ATOM 534 CG1 ILE A 77 -4.225 -1.731 -1.326 1.00 0.00 C ATOM 535 CG2 ILE A 77 -4.966 -4.006 -2.068 1.00 0.00 C ATOM 536 CD1 ILE A 77 -3.659 -2.402 -0.078 1.00 0.00 C ATOM 0 H ILE A 77 -6.296 0.036 -2.513 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.296 -2.380 -4.019 1.00 0.00 H new ATOM 0 HB ILE A 77 -6.233 -2.537 -1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.448 -1.642 -2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.556 -0.720 -1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.639 -4.419 -1.114 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.804 -4.590 -2.448 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.143 -4.046 -2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.825 -1.814 0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.436 -2.468 0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.311 -3.404 -0.330 1.00 0.00 H new ATOM 548 N GLN A 78 -7.703 -3.298 -4.072 1.00 0.00 N ATOM 549 CA GLN A 78 -9.147 -3.601 -4.323 1.00 0.00 C ATOM 550 C GLN A 78 -9.683 -4.524 -3.228 1.00 0.00 C ATOM 551 O GLN A 78 -10.248 -4.077 -2.249 1.00 0.00 O ATOM 552 CB GLN A 78 -9.289 -4.293 -5.681 1.00 0.00 C ATOM 553 CG GLN A 78 -8.836 -3.340 -6.789 1.00 0.00 C ATOM 554 CD GLN A 78 -9.060 -4.000 -8.151 1.00 0.00 C ATOM 555 OE1 GLN A 78 -9.992 -4.760 -8.325 1.00 0.00 O ATOM 556 NE2 GLN A 78 -8.240 -3.739 -9.132 1.00 0.00 N ATOM 0 H GLN A 78 -7.045 -3.988 -4.434 1.00 0.00 H new ATOM 0 HA GLN A 78 -9.715 -2.671 -4.319 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -8.689 -5.203 -5.702 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -10.325 -4.590 -5.843 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -9.393 -2.405 -6.730 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -7.782 -3.092 -6.662 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.457 -3.101 -8.987 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.382 -4.173 -10.044 1.00 0.00 H new ATOM 565 N ASN A 79 -9.518 -5.806 -3.388 1.00 0.00 N ATOM 566 CA ASN A 79 -10.026 -6.757 -2.360 1.00 0.00 C ATOM 567 C ASN A 79 -9.049 -6.811 -1.185 1.00 0.00 C ATOM 568 O ASN A 79 -7.873 -6.552 -1.333 1.00 0.00 O ATOM 569 CB ASN A 79 -10.158 -8.152 -2.977 1.00 0.00 C ATOM 570 CG ASN A 79 -11.221 -8.124 -4.077 1.00 0.00 C ATOM 571 OD1 ASN A 79 -11.548 -6.984 -4.623 1.00 0.00 O flip ATOM 572 ND2 ASN A 79 -11.758 -9.150 -4.444 1.00 0.00 N flip ATOM 0 H ASN A 79 -9.053 -6.238 -4.187 1.00 0.00 H new ATOM 0 HA ASN A 79 -11.001 -6.421 -2.006 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -9.201 -8.471 -3.389 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -10.432 -8.876 -2.210 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -11.502 -10.040 -4.017 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -12.465 -9.121 -5.179 1.00 0.00 H new ATOM 579 N GLN A 80 -9.534 -7.148 -0.016 1.00 0.00 N ATOM 580 CA GLN A 80 -8.647 -7.228 1.187 1.00 0.00 C ATOM 581 C GLN A 80 -8.367 -8.698 1.509 1.00 0.00 C ATOM 582 O GLN A 80 -7.343 -9.038 2.068 1.00 0.00 O ATOM 583 CB GLN A 80 -9.352 -6.576 2.378 1.00 0.00 C ATOM 584 CG GLN A 80 -9.545 -5.083 2.105 1.00 0.00 C ATOM 585 CD GLN A 80 -10.412 -4.470 3.206 1.00 0.00 C ATOM 586 OE1 GLN A 80 -10.426 -4.949 4.322 1.00 0.00 O ATOM 587 NE2 GLN A 80 -11.141 -3.423 2.937 1.00 0.00 N ATOM 0 H GLN A 80 -10.513 -7.373 0.158 1.00 0.00 H new ATOM 0 HA GLN A 80 -7.709 -6.710 0.988 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -10.317 -7.053 2.548 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.763 -6.717 3.284 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.578 -4.581 2.068 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -10.017 -4.938 1.133 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -11.129 -3.021 2.000 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.723 -3.006 3.664 1.00 0.00 H new ATOM 596 N ALA A 81 -9.276 -9.571 1.166 1.00 0.00 N ATOM 597 CA ALA A 81 -9.074 -11.018 1.456 1.00 0.00 C ATOM 598 C ALA A 81 -8.066 -11.610 0.473 1.00 0.00 C ATOM 599 O ALA A 81 -6.962 -11.965 0.834 1.00 0.00 O ATOM 600 CB ALA A 81 -10.403 -11.759 1.302 1.00 0.00 C ATOM 0 H ALA A 81 -10.152 -9.342 0.696 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.700 -11.126 2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.256 -12.818 1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -11.132 -11.347 2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.769 -11.641 0.282 1.00 0.00 H new ATOM 606 N GLN A 82 -8.451 -11.736 -0.764 1.00 0.00 N ATOM 607 CA GLN A 82 -7.533 -12.321 -1.779 1.00 0.00 C ATOM 608 C GLN A 82 -6.262 -11.466 -1.877 1.00 0.00 C ATOM 609 O GLN A 82 -5.298 -11.843 -2.513 1.00 0.00 O ATOM 610 CB GLN A 82 -8.271 -12.379 -3.139 1.00 0.00 C ATOM 611 CG GLN A 82 -8.130 -13.774 -3.762 1.00 0.00 C ATOM 612 CD GLN A 82 -8.499 -13.720 -5.246 1.00 0.00 C ATOM 613 OE1 GLN A 82 -9.247 -12.861 -5.669 1.00 0.00 O ATOM 614 NE2 GLN A 82 -8.000 -14.610 -6.058 1.00 0.00 N ATOM 0 H GLN A 82 -9.366 -11.458 -1.118 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.239 -13.331 -1.491 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.325 -12.141 -2.999 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.862 -11.628 -3.815 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.107 -14.133 -3.645 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -8.777 -14.481 -3.243 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.372 -15.331 -5.701 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.237 -14.586 -7.050 1.00 0.00 H new ATOM 623 N PHE A 83 -6.253 -10.327 -1.243 1.00 0.00 N ATOM 624 CA PHE A 83 -5.047 -9.450 -1.288 1.00 0.00 C ATOM 625 C PHE A 83 -4.078 -9.869 -0.174 1.00 0.00 C ATOM 626 O PHE A 83 -3.000 -9.325 -0.047 1.00 0.00 O ATOM 627 CB PHE A 83 -5.488 -7.987 -1.094 1.00 0.00 C ATOM 628 CG PHE A 83 -4.322 -7.136 -0.638 1.00 0.00 C ATOM 629 CD1 PHE A 83 -3.453 -6.548 -1.577 1.00 0.00 C ATOM 630 CD2 PHE A 83 -4.104 -6.947 0.738 1.00 0.00 C ATOM 631 CE1 PHE A 83 -2.366 -5.768 -1.134 1.00 0.00 C ATOM 632 CE2 PHE A 83 -3.018 -6.169 1.181 1.00 0.00 C ATOM 633 CZ PHE A 83 -2.149 -5.581 0.245 1.00 0.00 C ATOM 0 H PHE A 83 -7.031 -9.963 -0.693 1.00 0.00 H new ATOM 0 HA PHE A 83 -4.542 -9.547 -2.249 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.888 -7.595 -2.029 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -6.291 -7.938 -0.358 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.619 -6.694 -2.634 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.771 -7.400 1.457 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.699 -5.314 -1.852 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.852 -6.024 2.238 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.314 -4.985 0.584 1.00 0.00 H new ATOM 643 N ALA A 84 -4.460 -10.828 0.634 1.00 0.00 N ATOM 644 CA ALA A 84 -3.572 -11.285 1.751 1.00 0.00 C ATOM 645 C ALA A 84 -3.086 -12.709 1.481 1.00 0.00 C ATOM 646 O ALA A 84 -1.906 -12.952 1.344 1.00 0.00 O ATOM 647 CB ALA A 84 -4.361 -11.264 3.061 1.00 0.00 C ATOM 0 H ALA A 84 -5.353 -11.317 0.568 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.712 -10.619 1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.720 -11.596 3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.708 -10.250 3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -5.219 -11.931 2.980 1.00 0.00 H new ATOM 653 N LYS A 85 -3.982 -13.653 1.420 1.00 0.00 N ATOM 654 CA LYS A 85 -3.567 -15.063 1.181 1.00 0.00 C ATOM 655 C LYS A 85 -3.180 -15.270 -0.287 1.00 0.00 C ATOM 656 O LYS A 85 -3.650 -16.187 -0.929 1.00 0.00 O ATOM 657 CB LYS A 85 -4.727 -15.992 1.527 1.00 0.00 C ATOM 658 CG LYS A 85 -6.016 -15.466 0.890 1.00 0.00 C ATOM 659 CD LYS A 85 -7.091 -16.558 0.917 1.00 0.00 C ATOM 660 CE LYS A 85 -7.177 -17.163 2.322 1.00 0.00 C ATOM 661 NZ LYS A 85 -8.454 -17.920 2.463 1.00 0.00 N ATOM 0 H LYS A 85 -4.986 -13.509 1.526 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.704 -15.286 1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.518 -17.000 1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.844 -16.056 2.609 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.366 -14.585 1.429 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.825 -15.156 -0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.056 -16.139 0.631 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.853 -17.335 0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.329 -17.825 2.496 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.125 -16.374 3.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.511 -18.330 3.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.257 -17.276 2.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.486 -18.682 1.756 1.00 0.00 H new ATOM 675 N GLU A 86 -2.331 -14.437 -0.831 1.00 0.00 N ATOM 676 CA GLU A 86 -1.941 -14.623 -2.257 1.00 0.00 C ATOM 677 C GLU A 86 -0.622 -13.894 -2.560 1.00 0.00 C ATOM 678 O GLU A 86 0.052 -14.217 -3.518 1.00 0.00 O ATOM 679 CB GLU A 86 -3.060 -14.074 -3.149 1.00 0.00 C ATOM 680 CG GLU A 86 -2.622 -14.075 -4.617 1.00 0.00 C ATOM 681 CD GLU A 86 -2.095 -15.458 -5.008 1.00 0.00 C ATOM 682 OE1 GLU A 86 -2.766 -16.432 -4.707 1.00 0.00 O ATOM 683 OE2 GLU A 86 -1.030 -15.520 -5.599 1.00 0.00 O ATOM 0 H GLU A 86 -1.897 -13.646 -0.355 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.793 -15.685 -2.454 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.958 -14.680 -3.031 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.316 -13.061 -2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.463 -13.804 -5.256 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.847 -13.324 -4.774 1.00 0.00 H new ATOM 690 N LEU A 87 -0.249 -12.909 -1.771 1.00 0.00 N ATOM 691 CA LEU A 87 1.027 -12.161 -2.041 1.00 0.00 C ATOM 692 C LEU A 87 1.863 -12.049 -0.763 1.00 0.00 C ATOM 693 O LEU A 87 3.071 -11.934 -0.819 1.00 0.00 O ATOM 694 CB LEU A 87 0.700 -10.749 -2.537 1.00 0.00 C ATOM 695 CG LEU A 87 -0.237 -10.807 -3.754 1.00 0.00 C ATOM 696 CD1 LEU A 87 -0.846 -9.420 -3.989 1.00 0.00 C ATOM 697 CD2 LEU A 87 0.547 -11.239 -5.006 1.00 0.00 C ATOM 0 H LEU A 87 -0.771 -12.591 -0.954 1.00 0.00 H new ATOM 0 HA LEU A 87 1.592 -12.706 -2.797 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.231 -10.176 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.620 -10.229 -2.804 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.028 -11.532 -3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.512 -9.456 -4.851 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.411 -9.116 -3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.049 -8.700 -4.175 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.127 -11.277 -5.862 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.343 -10.521 -5.202 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.980 -12.226 -4.842 1.00 0.00 H new ATOM 709 N LEU A 88 1.245 -12.067 0.387 1.00 0.00 N ATOM 710 CA LEU A 88 2.036 -11.944 1.645 1.00 0.00 C ATOM 711 C LEU A 88 2.797 -13.249 1.978 1.00 0.00 C ATOM 712 O LEU A 88 3.885 -13.174 2.512 1.00 0.00 O ATOM 713 CB LEU A 88 1.117 -11.560 2.811 1.00 0.00 C ATOM 714 CG LEU A 88 0.153 -10.456 2.363 1.00 0.00 C ATOM 715 CD1 LEU A 88 -0.767 -10.081 3.528 1.00 0.00 C ATOM 716 CD2 LEU A 88 0.947 -9.221 1.920 1.00 0.00 C ATOM 0 H LEU A 88 0.237 -12.161 0.510 1.00 0.00 H new ATOM 0 HA LEU A 88 2.777 -11.159 1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.556 -12.432 3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.711 -11.217 3.658 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.445 -10.817 1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.453 -9.296 3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.336 -10.957 3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.167 -9.723 4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.257 -8.439 1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.549 -8.857 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.600 -9.487 1.089 1.00 0.00 H new ATOM 728 N PRO A 89 2.237 -14.413 1.683 1.00 0.00 N ATOM 729 CA PRO A 89 2.922 -15.681 1.996 1.00 0.00 C ATOM 730 C PRO A 89 4.115 -15.880 1.048 1.00 0.00 C ATOM 731 O PRO A 89 5.112 -16.475 1.405 1.00 0.00 O ATOM 732 CB PRO A 89 1.847 -16.776 1.788 1.00 0.00 C ATOM 733 CG PRO A 89 0.572 -16.074 1.235 1.00 0.00 C ATOM 734 CD PRO A 89 0.915 -14.580 1.040 1.00 0.00 C ATOM 0 HA PRO A 89 3.324 -15.705 3.009 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.201 -17.535 1.090 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.629 -17.284 2.727 1.00 0.00 H new ATOM 0 HG2 PRO A 89 0.265 -16.524 0.291 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.261 -16.189 1.929 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.952 -14.317 -0.017 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.165 -13.938 1.502 1.00 0.00 H new ATOM 742 N LEU A 90 4.013 -15.392 -0.160 1.00 0.00 N ATOM 743 CA LEU A 90 5.132 -15.559 -1.135 1.00 0.00 C ATOM 744 C LEU A 90 6.147 -14.426 -0.961 1.00 0.00 C ATOM 745 O LEU A 90 7.057 -14.275 -1.752 1.00 0.00 O ATOM 746 CB LEU A 90 4.568 -15.516 -2.562 1.00 0.00 C ATOM 747 CG LEU A 90 3.746 -16.793 -2.851 1.00 0.00 C ATOM 748 CD1 LEU A 90 2.680 -16.496 -3.911 1.00 0.00 C ATOM 749 CD2 LEU A 90 4.665 -17.906 -3.374 1.00 0.00 C ATOM 0 H LEU A 90 3.202 -14.884 -0.515 1.00 0.00 H new ATOM 0 HA LEU A 90 5.625 -16.515 -0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.939 -14.634 -2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.383 -15.429 -3.280 1.00 0.00 H new ATOM 0 HG LEU A 90 3.270 -17.116 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.104 -17.399 -4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.014 -15.714 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.163 -16.163 -4.830 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.075 -18.801 -3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.148 -17.577 -4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.425 -18.132 -2.626 1.00 0.00 H new ATOM 761 N ASN A 91 6.003 -13.626 0.062 1.00 0.00 N ATOM 762 CA ASN A 91 6.968 -12.503 0.272 1.00 0.00 C ATOM 763 C ASN A 91 7.091 -12.194 1.766 1.00 0.00 C ATOM 764 O ASN A 91 8.163 -12.254 2.334 1.00 0.00 O ATOM 765 CB ASN A 91 6.464 -11.259 -0.464 1.00 0.00 C ATOM 766 CG ASN A 91 6.679 -11.434 -1.969 1.00 0.00 C ATOM 767 OD1 ASN A 91 7.798 -11.551 -2.425 1.00 0.00 O ATOM 768 ND2 ASN A 91 5.645 -11.457 -2.764 1.00 0.00 N ATOM 0 H ASN A 91 5.263 -13.699 0.760 1.00 0.00 H new ATOM 0 HA ASN A 91 7.945 -12.791 -0.116 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.406 -11.102 -0.253 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.994 -10.375 -0.111 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.777 -11.573 -3.769 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.705 -11.359 -2.381 1.00 0.00 H new ATOM 775 N TYR A 92 6.003 -11.854 2.406 1.00 0.00 N ATOM 776 CA TYR A 92 6.061 -11.530 3.864 1.00 0.00 C ATOM 777 C TYR A 92 5.843 -12.800 4.688 1.00 0.00 C ATOM 778 O TYR A 92 5.800 -12.760 5.900 1.00 0.00 O ATOM 779 CB TYR A 92 4.967 -10.512 4.197 1.00 0.00 C ATOM 780 CG TYR A 92 5.321 -9.177 3.587 1.00 0.00 C ATOM 781 CD1 TYR A 92 5.068 -8.936 2.223 1.00 0.00 C ATOM 782 CD2 TYR A 92 5.905 -8.172 4.382 1.00 0.00 C ATOM 783 CE1 TYR A 92 5.399 -7.691 1.655 1.00 0.00 C ATOM 784 CE2 TYR A 92 6.236 -6.927 3.814 1.00 0.00 C ATOM 785 CZ TYR A 92 5.983 -6.687 2.450 1.00 0.00 C ATOM 786 OH TYR A 92 6.306 -5.466 1.892 1.00 0.00 O ATOM 0 H TYR A 92 5.077 -11.786 1.983 1.00 0.00 H new ATOM 0 HA TYR A 92 7.039 -11.113 4.103 1.00 0.00 H new ATOM 0 HB2 TYR A 92 4.006 -10.856 3.814 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.863 -10.414 5.278 1.00 0.00 H new ATOM 0 HD1 TYR A 92 4.620 -9.706 1.613 1.00 0.00 H new ATOM 0 HD2 TYR A 92 6.099 -8.356 5.428 1.00 0.00 H new ATOM 0 HE1 TYR A 92 5.205 -7.506 0.609 1.00 0.00 H new ATOM 0 HE2 TYR A 92 6.684 -6.157 4.424 1.00 0.00 H new ATOM 0 HH TYR A 92 6.699 -4.887 2.578 1.00 0.00 H new ATOM 796 N LYS A 93 5.708 -13.926 4.038 1.00 0.00 N ATOM 797 CA LYS A 93 5.497 -15.205 4.780 1.00 0.00 C ATOM 798 C LYS A 93 4.275 -15.085 5.697 1.00 0.00 C ATOM 799 O LYS A 93 3.193 -15.530 5.366 1.00 0.00 O ATOM 800 CB LYS A 93 6.739 -15.526 5.618 1.00 0.00 C ATOM 801 CG LYS A 93 7.979 -15.495 4.721 1.00 0.00 C ATOM 802 CD LYS A 93 9.157 -16.143 5.451 1.00 0.00 C ATOM 803 CE LYS A 93 10.353 -16.244 4.504 1.00 0.00 C ATOM 804 NZ LYS A 93 10.428 -15.015 3.663 1.00 0.00 N ATOM 0 H LYS A 93 5.735 -14.016 3.022 1.00 0.00 H new ATOM 0 HA LYS A 93 5.326 -16.007 4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.843 -14.802 6.426 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.636 -16.508 6.081 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.780 -16.025 3.789 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.223 -14.466 4.457 1.00 0.00 H new ATOM 0 HD2 LYS A 93 9.423 -15.553 6.328 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.877 -17.135 5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.274 -16.363 5.075 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.255 -17.125 3.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.389 -14.917 3.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.746 -15.087 2.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.202 -14.183 4.244 1.00 0.00 H new ATOM 818 N HIS A 94 4.434 -14.494 6.851 1.00 0.00 N ATOM 819 CA HIS A 94 3.278 -14.354 7.784 1.00 0.00 C ATOM 820 C HIS A 94 2.055 -13.838 7.018 1.00 0.00 C ATOM 821 O HIS A 94 2.158 -12.960 6.185 1.00 0.00 O ATOM 822 CB HIS A 94 3.639 -13.374 8.904 1.00 0.00 C ATOM 823 CG HIS A 94 3.802 -11.990 8.337 1.00 0.00 C ATOM 824 ND1 HIS A 94 2.734 -11.272 7.819 1.00 0.00 N ATOM 825 CD2 HIS A 94 4.899 -11.177 8.202 1.00 0.00 C ATOM 826 CE1 HIS A 94 3.208 -10.085 7.400 1.00 0.00 C ATOM 827 NE2 HIS A 94 4.522 -9.974 7.611 1.00 0.00 N ATOM 0 H HIS A 94 5.314 -14.102 7.188 1.00 0.00 H new ATOM 0 HA HIS A 94 3.044 -15.326 8.218 1.00 0.00 H new ATOM 0 HB2 HIS A 94 2.860 -13.375 9.666 1.00 0.00 H new ATOM 0 HB3 HIS A 94 4.562 -13.688 9.391 1.00 0.00 H new ATOM 0 HD1 HIS A 94 1.765 -11.587 7.766 1.00 0.00 H new ATOM 0 HD2 HIS A 94 5.903 -11.432 8.508 1.00 0.00 H new ATOM 0 HE1 HIS A 94 2.600 -9.315 6.948 1.00 0.00 H new ATOM 835 N ASN A 95 0.897 -14.378 7.295 1.00 0.00 N ATOM 836 CA ASN A 95 -0.337 -13.923 6.587 1.00 0.00 C ATOM 837 C ASN A 95 -1.003 -12.801 7.390 1.00 0.00 C ATOM 838 O ASN A 95 -0.394 -11.792 7.681 1.00 0.00 O ATOM 839 CB ASN A 95 -1.305 -15.102 6.453 1.00 0.00 C ATOM 840 CG ASN A 95 -0.588 -16.278 5.788 1.00 0.00 C ATOM 841 OD1 ASN A 95 -0.011 -17.111 6.459 1.00 0.00 O ATOM 842 ND2 ASN A 95 -0.601 -16.384 4.488 1.00 0.00 N ATOM 0 H ASN A 95 0.752 -15.117 7.983 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.075 -13.551 5.597 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -1.675 -15.396 7.435 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -2.172 -14.809 5.861 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -0.127 -17.166 4.035 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -1.085 -15.685 3.924 1.00 0.00 H new ATOM 849 N ASN A 96 -2.248 -12.973 7.749 1.00 0.00 N ATOM 850 CA ASN A 96 -2.961 -11.922 8.534 1.00 0.00 C ATOM 851 C ASN A 96 -3.015 -10.621 7.724 1.00 0.00 C ATOM 852 O ASN A 96 -2.009 -10.125 7.257 1.00 0.00 O ATOM 853 CB ASN A 96 -2.226 -11.682 9.857 1.00 0.00 C ATOM 854 CG ASN A 96 -3.159 -10.974 10.844 1.00 0.00 C ATOM 855 OD1 ASN A 96 -4.128 -10.359 10.447 1.00 0.00 O ATOM 856 ND2 ASN A 96 -2.905 -11.037 12.122 1.00 0.00 N ATOM 0 H ASN A 96 -2.804 -13.800 7.531 1.00 0.00 H new ATOM 0 HA ASN A 96 -3.978 -12.254 8.744 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -1.891 -12.631 10.275 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -1.336 -11.077 9.685 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -3.520 -10.570 12.788 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -2.091 -11.554 12.455 1.00 0.00 H new ATOM 863 N MET A 97 -4.187 -10.069 7.552 1.00 0.00 N ATOM 864 CA MET A 97 -4.324 -8.802 6.767 1.00 0.00 C ATOM 865 C MET A 97 -4.302 -7.602 7.720 1.00 0.00 C ATOM 866 O MET A 97 -3.412 -6.775 7.672 1.00 0.00 O ATOM 867 CB MET A 97 -5.656 -8.834 6.003 1.00 0.00 C ATOM 868 CG MET A 97 -5.888 -7.509 5.263 1.00 0.00 C ATOM 869 SD MET A 97 -4.515 -7.184 4.125 1.00 0.00 S ATOM 870 CE MET A 97 -4.935 -5.472 3.696 1.00 0.00 C ATOM 0 H MET A 97 -5.061 -10.442 7.923 1.00 0.00 H new ATOM 0 HA MET A 97 -3.497 -8.710 6.062 1.00 0.00 H new ATOM 0 HB2 MET A 97 -5.653 -9.659 5.290 1.00 0.00 H new ATOM 0 HB3 MET A 97 -6.476 -9.017 6.698 1.00 0.00 H new ATOM 0 HG2 MET A 97 -6.827 -7.551 4.710 1.00 0.00 H new ATOM 0 HG3 MET A 97 -5.977 -6.693 5.980 1.00 0.00 H new ATOM 0 HE1 MET A 97 -4.020 -4.893 3.572 1.00 0.00 H new ATOM 0 HE2 MET A 97 -5.501 -5.459 2.765 1.00 0.00 H new ATOM 0 HE3 MET A 97 -5.536 -5.034 4.493 1.00 0.00 H new ATOM 880 N ALA A 98 -5.279 -7.497 8.581 1.00 0.00 N ATOM 881 CA ALA A 98 -5.323 -6.348 9.532 1.00 0.00 C ATOM 882 C ALA A 98 -3.944 -6.138 10.164 1.00 0.00 C ATOM 883 O ALA A 98 -3.673 -5.110 10.751 1.00 0.00 O ATOM 884 CB ALA A 98 -6.347 -6.639 10.632 1.00 0.00 C ATOM 0 H ALA A 98 -6.050 -8.159 8.667 1.00 0.00 H new ATOM 0 HA ALA A 98 -5.609 -5.446 8.991 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.381 -5.801 11.328 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.331 -6.780 10.185 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.059 -7.544 11.167 1.00 0.00 H new ATOM 890 N SER A 99 -3.070 -7.100 10.048 1.00 0.00 N ATOM 891 CA SER A 99 -1.714 -6.940 10.642 1.00 0.00 C ATOM 892 C SER A 99 -0.871 -6.043 9.738 1.00 0.00 C ATOM 893 O SER A 99 -0.155 -5.177 10.198 1.00 0.00 O ATOM 894 CB SER A 99 -1.044 -8.308 10.769 1.00 0.00 C ATOM 895 OG SER A 99 0.254 -8.145 11.327 1.00 0.00 O ATOM 0 H SER A 99 -3.236 -7.986 9.570 1.00 0.00 H new ATOM 0 HA SER A 99 -1.801 -6.488 11.630 1.00 0.00 H new ATOM 0 HB2 SER A 99 -1.644 -8.963 11.401 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.975 -8.784 9.791 1.00 0.00 H new ATOM 0 HG SER A 99 0.686 -9.021 11.411 1.00 0.00 H new ATOM 901 N PHE A 100 -0.952 -6.240 8.452 1.00 0.00 N ATOM 902 CA PHE A 100 -0.156 -5.394 7.522 1.00 0.00 C ATOM 903 C PHE A 100 -0.610 -3.939 7.651 1.00 0.00 C ATOM 904 O PHE A 100 0.191 -3.041 7.813 1.00 0.00 O ATOM 905 CB PHE A 100 -0.366 -5.873 6.083 1.00 0.00 C ATOM 906 CG PHE A 100 0.322 -4.918 5.131 1.00 0.00 C ATOM 907 CD1 PHE A 100 1.718 -4.748 5.197 1.00 0.00 C ATOM 908 CD2 PHE A 100 -0.431 -4.190 4.188 1.00 0.00 C ATOM 909 CE1 PHE A 100 2.361 -3.852 4.322 1.00 0.00 C ATOM 910 CE2 PHE A 100 0.212 -3.296 3.311 1.00 0.00 C ATOM 911 CZ PHE A 100 1.609 -3.126 3.380 1.00 0.00 C ATOM 0 H PHE A 100 -1.534 -6.949 8.006 1.00 0.00 H new ATOM 0 HA PHE A 100 0.902 -5.470 7.774 1.00 0.00 H new ATOM 0 HB2 PHE A 100 0.036 -6.879 5.960 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.431 -5.925 5.857 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.296 -5.305 5.919 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.502 -4.318 4.138 1.00 0.00 H new ATOM 0 HE1 PHE A 100 3.432 -3.722 4.374 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.365 -2.741 2.586 1.00 0.00 H new ATOM 0 HZ PHE A 100 2.103 -2.438 2.710 1.00 0.00 H new ATOM 921 N ILE A 101 -1.890 -3.696 7.580 1.00 0.00 N ATOM 922 CA ILE A 101 -2.386 -2.297 7.700 1.00 0.00 C ATOM 923 C ILE A 101 -1.917 -1.716 9.037 1.00 0.00 C ATOM 924 O ILE A 101 -1.570 -0.555 9.128 1.00 0.00 O ATOM 925 CB ILE A 101 -3.928 -2.295 7.591 1.00 0.00 C ATOM 926 CG1 ILE A 101 -4.316 -2.362 6.103 1.00 0.00 C ATOM 927 CG2 ILE A 101 -4.518 -1.021 8.216 1.00 0.00 C ATOM 928 CD1 ILE A 101 -5.838 -2.510 5.937 1.00 0.00 C ATOM 0 H ILE A 101 -2.612 -4.404 7.444 1.00 0.00 H new ATOM 0 HA ILE A 101 -1.988 -1.676 6.898 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.325 -3.156 8.129 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.977 -1.460 5.594 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.811 -3.204 5.629 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -5.604 -1.042 8.128 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -4.241 -0.970 9.269 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -4.128 -0.146 7.695 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -6.086 -2.555 4.876 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.170 -3.426 6.426 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -6.338 -1.654 6.390 1.00 0.00 H new ATOM 940 N ARG A 102 -1.893 -2.504 10.076 1.00 0.00 N ATOM 941 CA ARG A 102 -1.433 -1.969 11.384 1.00 0.00 C ATOM 942 C ARG A 102 -0.010 -1.437 11.217 1.00 0.00 C ATOM 943 O ARG A 102 0.397 -0.506 11.883 1.00 0.00 O ATOM 944 CB ARG A 102 -1.466 -3.087 12.440 1.00 0.00 C ATOM 945 CG ARG A 102 -0.705 -2.655 13.722 1.00 0.00 C ATOM 946 CD ARG A 102 0.699 -3.278 13.750 1.00 0.00 C ATOM 947 NE ARG A 102 1.372 -2.924 15.031 1.00 0.00 N ATOM 948 CZ ARG A 102 2.436 -3.576 15.411 1.00 0.00 C ATOM 949 NH1 ARG A 102 2.911 -4.540 14.671 1.00 0.00 N ATOM 950 NH2 ARG A 102 3.026 -3.264 16.534 1.00 0.00 N ATOM 0 H ARG A 102 -2.170 -3.486 10.075 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.088 -1.163 11.715 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.499 -3.328 12.689 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -1.016 -3.992 12.032 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -0.628 -1.568 13.757 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.264 -2.964 14.605 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.630 -4.361 13.650 1.00 0.00 H new ATOM 0 HD3 ARG A 102 1.286 -2.916 12.906 1.00 0.00 H new ATOM 0 HE ARG A 102 1.001 -2.172 15.611 1.00 0.00 H new ATOM 0 HH11 ARG A 102 2.450 -4.784 13.794 1.00 0.00 H new ATOM 0 HH12 ARG A 102 3.743 -5.049 14.969 1.00 0.00 H new ATOM 0 HH21 ARG A 102 2.655 -2.511 17.113 1.00 0.00 H new ATOM 0 HH22 ARG A 102 3.858 -3.773 16.832 1.00 0.00 H new ATOM 964 N GLN A 103 0.744 -2.012 10.321 1.00 0.00 N ATOM 965 CA GLN A 103 2.131 -1.533 10.098 1.00 0.00 C ATOM 966 C GLN A 103 2.086 -0.266 9.242 1.00 0.00 C ATOM 967 O GLN A 103 2.951 0.584 9.326 1.00 0.00 O ATOM 968 CB GLN A 103 2.934 -2.613 9.372 1.00 0.00 C ATOM 969 CG GLN A 103 3.010 -3.869 10.243 1.00 0.00 C ATOM 970 CD GLN A 103 4.094 -4.802 9.701 1.00 0.00 C ATOM 971 OE1 GLN A 103 3.876 -5.514 8.741 1.00 0.00 O ATOM 972 NE2 GLN A 103 5.263 -4.830 10.280 1.00 0.00 N ATOM 0 H GLN A 103 0.456 -2.795 9.734 1.00 0.00 H new ATOM 0 HA GLN A 103 2.606 -1.316 11.055 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.465 -2.849 8.417 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.938 -2.249 9.153 1.00 0.00 H new ATOM 0 HG2 GLN A 103 3.233 -3.596 11.274 1.00 0.00 H new ATOM 0 HG3 GLN A 103 2.047 -4.379 10.249 1.00 0.00 H new ATOM 0 HE21 GLN A 103 5.447 -4.233 11.086 1.00 0.00 H new ATOM 0 HE22 GLN A 103 5.992 -5.449 9.927 1.00 0.00 H new ATOM 981 N LEU A 104 1.078 -0.129 8.419 1.00 0.00 N ATOM 982 CA LEU A 104 0.979 1.085 7.564 1.00 0.00 C ATOM 983 C LEU A 104 0.787 2.315 8.457 1.00 0.00 C ATOM 984 O LEU A 104 1.188 3.408 8.113 1.00 0.00 O ATOM 985 CB LEU A 104 -0.220 0.966 6.607 1.00 0.00 C ATOM 986 CG LEU A 104 0.059 -0.036 5.472 1.00 0.00 C ATOM 987 CD1 LEU A 104 -1.168 -0.083 4.552 1.00 0.00 C ATOM 988 CD2 LEU A 104 1.298 0.395 4.650 1.00 0.00 C ATOM 0 H LEU A 104 0.323 -0.805 8.304 1.00 0.00 H new ATOM 0 HA LEU A 104 1.894 1.184 6.980 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.101 0.649 7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.446 1.944 6.182 1.00 0.00 H new ATOM 0 HG LEU A 104 0.256 -1.018 5.902 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.988 -0.789 3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.039 -0.402 5.124 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.350 0.908 4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.476 -0.328 3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.122 1.378 4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.170 0.438 5.302 1.00 0.00 H new ATOM 1000 N ASN A 105 0.172 2.151 9.597 1.00 0.00 N ATOM 1001 CA ASN A 105 -0.046 3.321 10.498 1.00 0.00 C ATOM 1002 C ASN A 105 1.211 3.583 11.331 1.00 0.00 C ATOM 1003 O ASN A 105 1.385 4.651 11.883 1.00 0.00 O ATOM 1004 CB ASN A 105 -1.224 3.035 11.430 1.00 0.00 C ATOM 1005 CG ASN A 105 -2.485 2.787 10.600 1.00 0.00 C ATOM 1006 OD1 ASN A 105 -2.399 2.761 9.298 1.00 0.00 O flip ATOM 1007 ND2 ASN A 105 -3.559 2.616 11.142 1.00 0.00 N flip ATOM 0 H ASN A 105 -0.188 1.262 9.943 1.00 0.00 H new ATOM 0 HA ASN A 105 -0.263 4.201 9.893 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -1.008 2.165 12.050 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -1.380 3.877 12.105 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -3.626 2.636 12.160 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -4.394 2.452 10.579 1.00 0.00 H new ATOM 1014 N MET A 106 2.089 2.623 11.432 1.00 0.00 N ATOM 1015 CA MET A 106 3.324 2.839 12.236 1.00 0.00 C ATOM 1016 C MET A 106 4.310 3.699 11.442 1.00 0.00 C ATOM 1017 O MET A 106 5.060 4.472 12.004 1.00 0.00 O ATOM 1018 CB MET A 106 3.981 1.490 12.564 1.00 0.00 C ATOM 1019 CG MET A 106 3.118 0.692 13.561 1.00 0.00 C ATOM 1020 SD MET A 106 4.187 -0.354 14.583 1.00 0.00 S ATOM 1021 CE MET A 106 4.655 -1.537 13.297 1.00 0.00 C ATOM 0 H MET A 106 2.006 1.705 10.996 1.00 0.00 H new ATOM 0 HA MET A 106 3.057 3.345 13.164 1.00 0.00 H new ATOM 0 HB2 MET A 106 4.115 0.913 11.649 1.00 0.00 H new ATOM 0 HB3 MET A 106 4.973 1.656 12.985 1.00 0.00 H new ATOM 0 HG2 MET A 106 2.548 1.374 14.192 1.00 0.00 H new ATOM 0 HG3 MET A 106 2.397 0.077 13.023 1.00 0.00 H new ATOM 0 HE1 MET A 106 5.312 -2.296 13.722 1.00 0.00 H new ATOM 0 HE2 MET A 106 3.760 -2.014 12.898 1.00 0.00 H new ATOM 0 HE3 MET A 106 5.176 -1.015 12.494 1.00 0.00 H new ATOM 1031 N TYR A 107 4.321 3.575 10.142 1.00 0.00 N ATOM 1032 CA TYR A 107 5.267 4.389 9.333 1.00 0.00 C ATOM 1033 C TYR A 107 4.707 5.806 9.159 1.00 0.00 C ATOM 1034 O TYR A 107 5.385 6.779 9.426 1.00 0.00 O ATOM 1035 CB TYR A 107 5.468 3.739 7.964 1.00 0.00 C ATOM 1036 CG TYR A 107 5.673 2.242 8.112 1.00 0.00 C ATOM 1037 CD1 TYR A 107 6.658 1.739 8.988 1.00 0.00 C ATOM 1038 CD2 TYR A 107 4.878 1.349 7.366 1.00 0.00 C ATOM 1039 CE1 TYR A 107 6.843 0.348 9.114 1.00 0.00 C ATOM 1040 CE2 TYR A 107 5.064 -0.040 7.492 1.00 0.00 C ATOM 1041 CZ TYR A 107 6.046 -0.542 8.366 1.00 0.00 C ATOM 1042 OH TYR A 107 6.230 -1.903 8.491 1.00 0.00 O ATOM 0 H TYR A 107 3.718 2.948 9.609 1.00 0.00 H new ATOM 0 HA TYR A 107 6.227 4.443 9.846 1.00 0.00 H new ATOM 0 HB2 TYR A 107 4.601 3.933 7.332 1.00 0.00 H new ATOM 0 HB3 TYR A 107 6.331 4.183 7.467 1.00 0.00 H new ATOM 0 HD1 TYR A 107 7.270 2.420 9.562 1.00 0.00 H new ATOM 0 HD2 TYR A 107 4.123 1.732 6.695 1.00 0.00 H new ATOM 0 HE1 TYR A 107 7.597 -0.037 9.785 1.00 0.00 H new ATOM 0 HE2 TYR A 107 4.453 -0.721 6.918 1.00 0.00 H new ATOM 0 HH TYR A 107 6.428 -2.288 7.612 1.00 0.00 H new ATOM 1052 N GLY A 108 3.476 5.941 8.724 1.00 0.00 N ATOM 1053 CA GLY A 108 2.892 7.311 8.554 1.00 0.00 C ATOM 1054 C GLY A 108 1.941 7.349 7.351 1.00 0.00 C ATOM 1055 O GLY A 108 1.789 8.370 6.709 1.00 0.00 O ATOM 0 H GLY A 108 2.855 5.169 8.481 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.355 7.598 9.458 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.692 8.038 8.415 1.00 0.00 H new ATOM 1059 N PHE A 109 1.293 6.260 7.041 1.00 0.00 N ATOM 1060 CA PHE A 109 0.350 6.263 5.884 1.00 0.00 C ATOM 1061 C PHE A 109 -0.998 6.830 6.338 1.00 0.00 C ATOM 1062 O PHE A 109 -1.712 6.212 7.101 1.00 0.00 O ATOM 1063 CB PHE A 109 0.142 4.831 5.392 1.00 0.00 C ATOM 1064 CG PHE A 109 1.349 4.364 4.612 1.00 0.00 C ATOM 1065 CD1 PHE A 109 2.534 4.045 5.293 1.00 0.00 C ATOM 1066 CD2 PHE A 109 1.288 4.238 3.210 1.00 0.00 C ATOM 1067 CE1 PHE A 109 3.661 3.595 4.578 1.00 0.00 C ATOM 1068 CE2 PHE A 109 2.418 3.790 2.494 1.00 0.00 C ATOM 1069 CZ PHE A 109 3.602 3.467 3.179 1.00 0.00 C ATOM 0 H PHE A 109 1.374 5.371 7.535 1.00 0.00 H new ATOM 0 HA PHE A 109 0.762 6.873 5.080 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -0.029 4.169 6.241 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -0.747 4.781 4.764 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.582 4.145 6.367 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.377 4.484 2.684 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.571 3.348 5.105 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.373 3.695 1.419 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.466 3.121 2.631 1.00 0.00 H new ATOM 1079 N HIS A 110 -1.357 7.997 5.874 1.00 0.00 N ATOM 1080 CA HIS A 110 -2.665 8.596 6.278 1.00 0.00 C ATOM 1081 C HIS A 110 -3.723 8.269 5.222 1.00 0.00 C ATOM 1082 O HIS A 110 -4.158 9.128 4.480 1.00 0.00 O ATOM 1083 CB HIS A 110 -2.516 10.115 6.393 1.00 0.00 C ATOM 1084 CG HIS A 110 -2.134 10.688 5.057 1.00 0.00 C ATOM 1085 ND1 HIS A 110 -1.001 10.279 4.374 1.00 0.00 N ATOM 1086 CD2 HIS A 110 -2.725 11.641 4.265 1.00 0.00 C ATOM 1087 CE1 HIS A 110 -0.946 10.977 3.226 1.00 0.00 C ATOM 1088 NE2 HIS A 110 -1.973 11.823 3.110 1.00 0.00 N ATOM 0 H HIS A 110 -0.802 8.563 5.232 1.00 0.00 H new ATOM 0 HA HIS A 110 -2.971 8.185 7.240 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -3.452 10.557 6.735 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -1.757 10.361 7.136 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -3.636 12.169 4.503 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -0.166 10.867 2.487 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -2.164 12.464 2.340 1.00 0.00 H new ATOM 1096 N LYS A 111 -4.144 7.035 5.145 1.00 0.00 N ATOM 1097 CA LYS A 111 -5.171 6.669 4.134 1.00 0.00 C ATOM 1098 C LYS A 111 -6.366 7.611 4.265 1.00 0.00 C ATOM 1099 O LYS A 111 -6.882 7.834 5.343 1.00 0.00 O ATOM 1100 CB LYS A 111 -5.609 5.220 4.350 1.00 0.00 C ATOM 1101 CG LYS A 111 -6.241 5.057 5.733 1.00 0.00 C ATOM 1102 CD LYS A 111 -6.362 3.563 6.066 1.00 0.00 C ATOM 1103 CE LYS A 111 -7.155 2.845 4.969 1.00 0.00 C ATOM 1104 NZ LYS A 111 -6.254 2.553 3.818 1.00 0.00 N ATOM 0 H LYS A 111 -3.821 6.269 5.737 1.00 0.00 H new ATOM 0 HA LYS A 111 -4.753 6.763 3.132 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -6.324 4.930 3.580 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.750 4.555 4.254 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.633 5.560 6.485 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.225 5.526 5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -5.370 3.121 6.158 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -6.858 3.435 7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -7.578 1.919 5.358 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.990 3.465 4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -6.741 2.784 2.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -5.390 3.126 3.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -6.001 1.544 3.822 1.00 0.00 H new ATOM 1118 N ILE A 112 -6.794 8.183 3.174 1.00 0.00 N ATOM 1119 CA ILE A 112 -7.940 9.137 3.218 1.00 0.00 C ATOM 1120 C ILE A 112 -9.257 8.370 3.066 1.00 0.00 C ATOM 1121 O ILE A 112 -10.102 8.715 2.266 1.00 0.00 O ATOM 1122 CB ILE A 112 -7.787 10.154 2.077 1.00 0.00 C ATOM 1123 CG1 ILE A 112 -6.411 10.850 2.203 1.00 0.00 C ATOM 1124 CG2 ILE A 112 -8.924 11.206 2.151 1.00 0.00 C ATOM 1125 CD1 ILE A 112 -5.968 11.378 0.841 1.00 0.00 C ATOM 0 H ILE A 112 -6.397 8.030 2.247 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.949 9.661 4.174 1.00 0.00 H new ATOM 0 HB ILE A 112 -7.849 9.641 1.117 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -6.473 11.670 2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -5.672 10.147 2.588 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.809 11.924 1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -9.888 10.706 2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -8.875 11.728 3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.999 11.867 0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.888 10.549 0.138 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -6.701 12.096 0.473 1.00 0.00 H new ATOM 1137 N THR A 113 -9.438 7.324 3.825 1.00 0.00 N ATOM 1138 CA THR A 113 -10.700 6.540 3.716 1.00 0.00 C ATOM 1139 C THR A 113 -10.893 5.694 4.977 1.00 0.00 C ATOM 1140 O THR A 113 -10.389 6.019 6.033 1.00 0.00 O ATOM 1141 CB THR A 113 -10.623 5.636 2.481 1.00 0.00 C ATOM 1142 OG1 THR A 113 -11.854 4.947 2.318 1.00 0.00 O ATOM 1143 CG2 THR A 113 -9.485 4.627 2.646 1.00 0.00 C ATOM 0 H THR A 113 -8.769 6.980 4.514 1.00 0.00 H new ATOM 0 HA THR A 113 -11.548 7.218 3.616 1.00 0.00 H new ATOM 0 HB THR A 113 -10.432 6.248 1.600 1.00 0.00 H new ATOM 0 HG1 THR A 113 -11.913 4.594 1.406 1.00 0.00 H new ATOM 0 HG21 THR A 113 -9.435 3.987 1.765 1.00 0.00 H new ATOM 0 HG22 THR A 113 -8.541 5.159 2.762 1.00 0.00 H new ATOM 0 HG23 THR A 113 -9.667 4.015 3.529 1.00 0.00 H new ATOM 1151 N SER A 114 -11.627 4.618 4.872 1.00 0.00 N ATOM 1152 CA SER A 114 -11.872 3.738 6.055 1.00 0.00 C ATOM 1153 C SER A 114 -12.946 4.372 6.947 1.00 0.00 C ATOM 1154 O SER A 114 -13.800 5.093 6.474 1.00 0.00 O ATOM 1155 CB SER A 114 -10.569 3.543 6.847 1.00 0.00 C ATOM 1156 OG SER A 114 -10.570 2.250 7.437 1.00 0.00 O ATOM 0 H SER A 114 -12.072 4.307 4.009 1.00 0.00 H new ATOM 0 HA SER A 114 -12.219 2.762 5.715 1.00 0.00 H new ATOM 0 HB2 SER A 114 -9.708 3.654 6.187 1.00 0.00 H new ATOM 0 HB3 SER A 114 -10.480 4.308 7.619 1.00 0.00 H new ATOM 0 HG SER A 114 -9.740 2.120 7.942 1.00 0.00 H new ATOM 1162 N ILE A 115 -12.895 4.098 8.234 1.00 0.00 N ATOM 1163 CA ILE A 115 -13.897 4.660 9.204 1.00 0.00 C ATOM 1164 C ILE A 115 -15.265 4.844 8.533 1.00 0.00 C ATOM 1165 O ILE A 115 -15.929 3.888 8.186 1.00 0.00 O ATOM 1166 CB ILE A 115 -13.398 6.006 9.761 1.00 0.00 C ATOM 1167 CG1 ILE A 115 -12.798 6.851 8.629 1.00 0.00 C ATOM 1168 CG2 ILE A 115 -12.323 5.760 10.828 1.00 0.00 C ATOM 1169 CD1 ILE A 115 -12.413 8.238 9.158 1.00 0.00 C ATOM 0 H ILE A 115 -12.189 3.498 8.660 1.00 0.00 H new ATOM 0 HA ILE A 115 -14.010 3.953 10.026 1.00 0.00 H new ATOM 0 HB ILE A 115 -14.240 6.537 10.204 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -11.920 6.353 8.218 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -13.518 6.949 7.817 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -11.973 6.715 11.219 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -12.745 5.168 11.640 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -11.486 5.221 10.384 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -11.988 8.831 8.348 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -13.300 8.738 9.547 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -11.677 8.132 9.955 1.00 0.00 H new ATOM 1181 N ASP A 116 -15.691 6.065 8.348 1.00 0.00 N ATOM 1182 CA ASP A 116 -17.012 6.310 7.701 1.00 0.00 C ATOM 1183 C ASP A 116 -16.982 7.660 6.980 1.00 0.00 C ATOM 1184 O ASP A 116 -16.540 8.653 7.522 1.00 0.00 O ATOM 1185 CB ASP A 116 -18.108 6.327 8.769 1.00 0.00 C ATOM 1186 CG ASP A 116 -19.452 6.661 8.117 1.00 0.00 C ATOM 1187 OD1 ASP A 116 -19.742 7.838 7.973 1.00 0.00 O ATOM 1188 OD2 ASP A 116 -20.167 5.734 7.774 1.00 0.00 O ATOM 0 H ASP A 116 -15.179 6.905 8.618 1.00 0.00 H new ATOM 0 HA ASP A 116 -17.218 5.517 6.982 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -18.163 5.357 9.264 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -17.871 7.064 9.537 1.00 0.00 H new ATOM 1193 N ASN A 117 -17.447 7.703 5.761 1.00 0.00 N ATOM 1194 CA ASN A 117 -17.442 8.988 5.005 1.00 0.00 C ATOM 1195 C ASN A 117 -18.479 8.924 3.885 1.00 0.00 C ATOM 1196 O ASN A 117 -18.144 8.876 2.718 1.00 0.00 O ATOM 1197 CB ASN A 117 -16.054 9.223 4.408 1.00 0.00 C ATOM 1198 CG ASN A 117 -16.072 10.491 3.553 1.00 0.00 C ATOM 1199 OD1 ASN A 117 -17.097 11.295 3.622 1.00 0.00 O flip ATOM 1200 ND2 ASN A 117 -15.143 10.754 2.814 1.00 0.00 N flip ATOM 0 H ASN A 117 -17.830 6.904 5.256 1.00 0.00 H new ATOM 0 HA ASN A 117 -17.689 9.808 5.679 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -15.316 9.320 5.204 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -15.758 8.367 3.801 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -14.341 10.126 2.759 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -15.166 11.603 2.249 1.00 0.00 H new ATOM 1207 N GLY A 118 -19.737 8.924 4.230 1.00 0.00 N ATOM 1208 CA GLY A 118 -20.796 8.866 3.184 1.00 0.00 C ATOM 1209 C GLY A 118 -22.098 8.352 3.801 1.00 0.00 C ATOM 1210 O GLY A 118 -23.084 9.059 3.873 1.00 0.00 O ATOM 0 H GLY A 118 -20.077 8.962 5.191 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -20.951 9.855 2.754 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -20.483 8.211 2.371 1.00 0.00 H new ATOM 1214 N GLY A 119 -22.111 7.125 4.247 1.00 0.00 N ATOM 1215 CA GLY A 119 -23.351 6.567 4.858 1.00 0.00 C ATOM 1216 C GLY A 119 -23.078 5.150 5.366 1.00 0.00 C ATOM 1217 O GLY A 119 -22.347 4.951 6.315 1.00 0.00 O ATOM 0 H GLY A 119 -21.317 6.485 4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -23.681 7.202 5.680 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -24.156 6.552 4.123 1.00 0.00 H new ATOM 1221 N LEU A 120 -23.662 4.162 4.742 1.00 0.00 N ATOM 1222 CA LEU A 120 -23.437 2.759 5.192 1.00 0.00 C ATOM 1223 C LEU A 120 -22.095 2.260 4.651 1.00 0.00 C ATOM 1224 O LEU A 120 -21.150 2.072 5.390 1.00 0.00 O ATOM 1225 CB LEU A 120 -24.562 1.862 4.663 1.00 0.00 C ATOM 1226 CG LEU A 120 -25.926 2.392 5.131 1.00 0.00 C ATOM 1227 CD1 LEU A 120 -27.035 1.794 4.260 1.00 0.00 C ATOM 1228 CD2 LEU A 120 -26.174 1.999 6.594 1.00 0.00 C ATOM 0 H LEU A 120 -24.285 4.266 3.941 1.00 0.00 H new ATOM 0 HA LEU A 120 -23.428 2.726 6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -24.530 1.830 3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -24.420 0.841 5.016 1.00 0.00 H new ATOM 0 HG LEU A 120 -25.928 3.478 5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -28.002 2.171 4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -26.874 2.078 3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -27.020 0.708 4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -27.144 2.380 6.914 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -26.163 0.913 6.686 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -25.392 2.424 7.223 1.00 0.00 H new ATOM 1240 N ARG A 121 -22.004 2.042 3.368 1.00 0.00 N ATOM 1241 CA ARG A 121 -20.723 1.553 2.787 1.00 0.00 C ATOM 1242 C ARG A 121 -20.713 1.799 1.276 1.00 0.00 C ATOM 1243 O ARG A 121 -21.218 1.008 0.505 1.00 0.00 O ATOM 1244 CB ARG A 121 -20.582 0.056 3.057 1.00 0.00 C ATOM 1245 CG ARG A 121 -19.139 -0.378 2.769 1.00 0.00 C ATOM 1246 CD ARG A 121 -18.938 -1.864 3.138 1.00 0.00 C ATOM 1247 NE ARG A 121 -17.643 -2.039 3.874 1.00 0.00 N ATOM 1248 CZ ARG A 121 -16.536 -1.488 3.446 1.00 0.00 C ATOM 1249 NH1 ARG A 121 -16.507 -0.859 2.305 1.00 0.00 N ATOM 1250 NH2 ARG A 121 -15.444 -1.596 4.153 1.00 0.00 N ATOM 0 H ARG A 121 -22.760 2.181 2.698 1.00 0.00 H new ATOM 0 HA ARG A 121 -19.892 2.089 3.246 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -20.840 -0.164 4.093 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -21.275 -0.505 2.430 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -18.910 -0.225 1.714 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -18.446 0.241 3.339 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -19.767 -2.209 3.756 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -18.938 -2.475 2.235 1.00 0.00 H new ATOM 0 HE ARG A 121 -17.625 -2.599 4.726 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -17.352 -0.793 1.737 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -15.639 -0.433 1.980 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -15.456 -2.108 5.035 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -14.579 -1.168 3.823 1.00 0.00 H new ATOM 1264 N PHE A 122 -20.138 2.891 0.848 1.00 0.00 N ATOM 1265 CA PHE A 122 -20.090 3.192 -0.613 1.00 0.00 C ATOM 1266 C PHE A 122 -18.840 2.553 -1.223 1.00 0.00 C ATOM 1267 O PHE A 122 -18.229 1.682 -0.637 1.00 0.00 O ATOM 1268 CB PHE A 122 -20.037 4.709 -0.814 1.00 0.00 C ATOM 1269 CG PHE A 122 -21.395 5.303 -0.526 1.00 0.00 C ATOM 1270 CD1 PHE A 122 -22.381 5.326 -1.531 1.00 0.00 C ATOM 1271 CD2 PHE A 122 -21.677 5.832 0.748 1.00 0.00 C ATOM 1272 CE1 PHE A 122 -23.648 5.879 -1.263 1.00 0.00 C ATOM 1273 CE2 PHE A 122 -22.944 6.386 1.017 1.00 0.00 C ATOM 1274 CZ PHE A 122 -23.929 6.409 0.012 1.00 0.00 C ATOM 0 H PHE A 122 -19.699 3.589 1.448 1.00 0.00 H new ATOM 0 HA PHE A 122 -20.978 2.789 -1.100 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -19.289 5.148 -0.154 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -19.736 4.941 -1.836 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -22.165 4.919 -2.508 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -20.921 5.813 1.520 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -24.404 5.897 -2.034 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -23.159 6.793 1.994 1.00 0.00 H new ATOM 0 HZ PHE A 122 -24.901 6.833 0.218 1.00 0.00 H new ATOM 1284 N ASP A 123 -18.457 2.976 -2.397 1.00 0.00 N ATOM 1285 CA ASP A 123 -17.248 2.394 -3.046 1.00 0.00 C ATOM 1286 C ASP A 123 -17.428 0.881 -3.203 1.00 0.00 C ATOM 1287 O ASP A 123 -18.387 0.423 -3.792 1.00 0.00 O ATOM 1288 CB ASP A 123 -16.017 2.684 -2.186 1.00 0.00 C ATOM 1289 CG ASP A 123 -16.059 4.137 -1.710 1.00 0.00 C ATOM 1290 OD1 ASP A 123 -16.720 4.933 -2.356 1.00 0.00 O ATOM 1291 OD2 ASP A 123 -15.429 4.430 -0.707 1.00 0.00 O ATOM 0 H ASP A 123 -18.931 3.701 -2.936 1.00 0.00 H new ATOM 0 HA ASP A 123 -17.112 2.842 -4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -15.991 2.010 -1.330 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -15.108 2.504 -2.760 1.00 0.00 H new ATOM 1296 N ARG A 124 -16.521 0.098 -2.681 1.00 0.00 N ATOM 1297 CA ARG A 124 -16.654 -1.378 -2.804 1.00 0.00 C ATOM 1298 C ARG A 124 -15.586 -2.032 -1.941 1.00 0.00 C ATOM 1299 O ARG A 124 -14.980 -3.015 -2.309 1.00 0.00 O ATOM 1300 CB ARG A 124 -16.468 -1.801 -4.263 1.00 0.00 C ATOM 1301 CG ARG A 124 -16.537 -3.349 -4.378 1.00 0.00 C ATOM 1302 CD ARG A 124 -17.488 -3.752 -5.509 1.00 0.00 C ATOM 1303 NE ARG A 124 -17.272 -5.184 -5.858 1.00 0.00 N ATOM 1304 CZ ARG A 124 -18.161 -5.823 -6.568 1.00 0.00 C ATOM 1305 NH1 ARG A 124 -19.238 -5.207 -6.971 1.00 0.00 N ATOM 1306 NH2 ARG A 124 -17.973 -7.078 -6.874 1.00 0.00 N ATOM 0 H ARG A 124 -15.695 0.419 -2.176 1.00 0.00 H new ATOM 0 HA ARG A 124 -17.646 -1.689 -2.475 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -17.240 -1.347 -4.884 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -15.508 -1.442 -4.635 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -15.542 -3.752 -4.568 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -16.879 -3.776 -3.435 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -18.522 -3.594 -5.202 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -17.316 -3.124 -6.383 1.00 0.00 H new ATOM 0 HE ARG A 124 -16.430 -5.665 -5.542 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -19.385 -4.227 -6.731 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -19.933 -5.706 -7.526 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -17.131 -7.559 -6.558 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -18.668 -7.577 -7.429 1.00 0.00 H new ATOM 1320 N ASP A 125 -15.352 -1.459 -0.804 1.00 0.00 N ATOM 1321 CA ASP A 125 -14.320 -1.972 0.140 1.00 0.00 C ATOM 1322 C ASP A 125 -12.963 -1.445 -0.319 1.00 0.00 C ATOM 1323 O ASP A 125 -11.919 -1.976 0.001 1.00 0.00 O ATOM 1324 CB ASP A 125 -14.364 -3.529 0.233 1.00 0.00 C ATOM 1325 CG ASP A 125 -13.206 -4.193 -0.536 1.00 0.00 C ATOM 1326 OD1 ASP A 125 -12.132 -4.304 0.032 1.00 0.00 O ATOM 1327 OD2 ASP A 125 -13.419 -4.595 -1.667 1.00 0.00 O ATOM 0 H ASP A 125 -15.846 -0.630 -0.474 1.00 0.00 H new ATOM 0 HA ASP A 125 -14.514 -1.616 1.152 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -14.322 -3.830 1.280 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -15.314 -3.888 -0.164 1.00 0.00 H new ATOM 1332 N GLU A 126 -12.994 -0.379 -1.056 1.00 0.00 N ATOM 1333 CA GLU A 126 -11.739 0.238 -1.550 1.00 0.00 C ATOM 1334 C GLU A 126 -10.831 0.543 -0.350 1.00 0.00 C ATOM 1335 O GLU A 126 -11.195 0.331 0.789 1.00 0.00 O ATOM 1336 CB GLU A 126 -12.101 1.538 -2.293 1.00 0.00 C ATOM 1337 CG GLU A 126 -12.209 1.278 -3.801 1.00 0.00 C ATOM 1338 CD GLU A 126 -10.810 1.076 -4.386 1.00 0.00 C ATOM 1339 OE1 GLU A 126 -10.337 -0.049 -4.366 1.00 0.00 O ATOM 1340 OE2 GLU A 126 -10.234 2.048 -4.845 1.00 0.00 O ATOM 0 H GLU A 126 -13.848 0.099 -1.342 1.00 0.00 H new ATOM 0 HA GLU A 126 -11.214 -0.434 -2.228 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -13.046 1.929 -1.916 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -11.343 2.297 -2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -12.823 0.396 -3.986 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -12.702 2.118 -4.291 1.00 0.00 H new ATOM 1347 N ILE A 127 -9.653 1.038 -0.609 1.00 0.00 N ATOM 1348 CA ILE A 127 -8.702 1.360 0.492 1.00 0.00 C ATOM 1349 C ILE A 127 -7.506 2.108 -0.124 1.00 0.00 C ATOM 1350 O ILE A 127 -6.482 1.538 -0.434 1.00 0.00 O ATOM 1351 CB ILE A 127 -8.267 0.045 1.176 1.00 0.00 C ATOM 1352 CG1 ILE A 127 -7.231 0.321 2.285 1.00 0.00 C ATOM 1353 CG2 ILE A 127 -7.677 -0.913 0.144 1.00 0.00 C ATOM 1354 CD1 ILE A 127 -6.620 -1.002 2.783 1.00 0.00 C ATOM 0 H ILE A 127 -9.305 1.235 -1.547 1.00 0.00 H new ATOM 0 HA ILE A 127 -9.160 1.994 1.251 1.00 0.00 H new ATOM 0 HB ILE A 127 -9.147 -0.411 1.629 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -6.445 0.973 1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -7.706 0.846 3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -7.374 -1.837 0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -8.426 -1.136 -0.616 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -6.809 -0.451 -0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -5.890 -0.794 3.566 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -7.409 -1.639 3.183 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -6.128 -1.510 1.954 1.00 0.00 H new ATOM 1366 N GLU A 128 -7.643 3.390 -0.335 1.00 0.00 N ATOM 1367 CA GLU A 128 -6.530 4.166 -0.962 1.00 0.00 C ATOM 1368 C GLU A 128 -5.456 4.496 0.081 1.00 0.00 C ATOM 1369 O GLU A 128 -5.678 4.420 1.274 1.00 0.00 O ATOM 1370 CB GLU A 128 -7.089 5.466 -1.576 1.00 0.00 C ATOM 1371 CG GLU A 128 -8.284 5.969 -0.750 1.00 0.00 C ATOM 1372 CD GLU A 128 -9.559 5.227 -1.171 1.00 0.00 C ATOM 1373 OE1 GLU A 128 -9.745 5.041 -2.363 1.00 0.00 O ATOM 1374 OE2 GLU A 128 -10.324 4.860 -0.296 1.00 0.00 O ATOM 0 H GLU A 128 -8.474 3.933 -0.102 1.00 0.00 H new ATOM 0 HA GLU A 128 -6.075 3.563 -1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -6.310 6.228 -1.605 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -7.398 5.287 -2.606 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -8.095 5.812 0.312 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -8.412 7.042 -0.896 1.00 0.00 H new ATOM 1381 N PHE A 129 -4.288 4.867 -0.379 1.00 0.00 N ATOM 1382 CA PHE A 129 -3.167 5.214 0.547 1.00 0.00 C ATOM 1383 C PHE A 129 -2.391 6.396 -0.039 1.00 0.00 C ATOM 1384 O PHE A 129 -2.112 6.436 -1.224 1.00 0.00 O ATOM 1385 CB PHE A 129 -2.218 4.014 0.672 1.00 0.00 C ATOM 1386 CG PHE A 129 -2.767 3.012 1.660 1.00 0.00 C ATOM 1387 CD1 PHE A 129 -2.833 3.342 3.024 1.00 0.00 C ATOM 1388 CD2 PHE A 129 -3.197 1.745 1.221 1.00 0.00 C ATOM 1389 CE1 PHE A 129 -3.330 2.409 3.953 1.00 0.00 C ATOM 1390 CE2 PHE A 129 -3.694 0.811 2.149 1.00 0.00 C ATOM 1391 CZ PHE A 129 -3.760 1.143 3.515 1.00 0.00 C ATOM 0 H PHE A 129 -4.061 4.945 -1.370 1.00 0.00 H new ATOM 0 HA PHE A 129 -3.567 5.471 1.528 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -2.088 3.541 -0.302 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -1.234 4.352 0.996 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -2.502 4.313 3.360 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -3.145 1.490 0.173 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -3.381 2.665 5.001 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -4.025 -0.161 1.813 1.00 0.00 H new ATOM 0 HZ PHE A 129 -4.141 0.426 4.227 1.00 0.00 H new ATOM 1401 N SER A 130 -2.030 7.353 0.787 1.00 0.00 N ATOM 1402 CA SER A 130 -1.258 8.541 0.296 1.00 0.00 C ATOM 1403 C SER A 130 0.062 8.643 1.060 1.00 0.00 C ATOM 1404 O SER A 130 0.103 8.537 2.270 1.00 0.00 O ATOM 1405 CB SER A 130 -2.081 9.808 0.525 1.00 0.00 C ATOM 1406 OG SER A 130 -1.237 10.945 0.391 1.00 0.00 O ATOM 0 H SER A 130 -2.239 7.361 1.785 1.00 0.00 H new ATOM 0 HA SER A 130 -1.051 8.428 -0.768 1.00 0.00 H new ATOM 0 HB2 SER A 130 -2.898 9.860 -0.194 1.00 0.00 H new ATOM 0 HB3 SER A 130 -2.531 9.789 1.518 1.00 0.00 H new ATOM 0 HG SER A 130 -1.784 11.758 0.377 1.00 0.00 H new ATOM 1412 N HIS A 131 1.145 8.842 0.356 1.00 0.00 N ATOM 1413 CA HIS A 131 2.477 8.948 1.024 1.00 0.00 C ATOM 1414 C HIS A 131 3.390 9.866 0.173 1.00 0.00 C ATOM 1415 O HIS A 131 3.886 9.424 -0.844 1.00 0.00 O ATOM 1416 CB HIS A 131 3.095 7.537 1.103 1.00 0.00 C ATOM 1417 CG HIS A 131 4.016 7.435 2.293 1.00 0.00 C ATOM 1418 ND1 HIS A 131 5.183 8.174 2.399 1.00 0.00 N ATOM 1419 CD2 HIS A 131 3.944 6.682 3.436 1.00 0.00 C ATOM 1420 CE1 HIS A 131 5.762 7.851 3.572 1.00 0.00 C ATOM 1421 NE2 HIS A 131 5.046 6.945 4.243 1.00 0.00 N ATOM 0 H HIS A 131 1.165 8.936 -0.659 1.00 0.00 H new ATOM 0 HA HIS A 131 2.373 9.365 2.026 1.00 0.00 H new ATOM 0 HB2 HIS A 131 2.305 6.790 1.181 1.00 0.00 H new ATOM 0 HB3 HIS A 131 3.647 7.323 0.188 1.00 0.00 H new ATOM 0 HD2 HIS A 131 3.151 5.989 3.674 1.00 0.00 H new ATOM 0 HE1 HIS A 131 6.691 8.273 3.926 1.00 0.00 H new ATOM 0 HE2 HIS A 131 5.261 6.534 5.152 1.00 0.00 H new ATOM 1429 N PRO A 132 3.594 11.113 0.575 1.00 0.00 N ATOM 1430 CA PRO A 132 4.449 12.031 -0.206 1.00 0.00 C ATOM 1431 C PRO A 132 5.911 11.547 -0.205 1.00 0.00 C ATOM 1432 O PRO A 132 6.828 12.328 -0.362 1.00 0.00 O ATOM 1433 CB PRO A 132 4.312 13.405 0.496 1.00 0.00 C ATOM 1434 CG PRO A 132 3.403 13.203 1.744 1.00 0.00 C ATOM 1435 CD PRO A 132 3.003 11.712 1.794 1.00 0.00 C ATOM 0 HA PRO A 132 4.148 12.083 -1.252 1.00 0.00 H new ATOM 0 HB2 PRO A 132 5.290 13.784 0.791 1.00 0.00 H new ATOM 0 HB3 PRO A 132 3.876 14.140 -0.181 1.00 0.00 H new ATOM 0 HG2 PRO A 132 3.932 13.488 2.653 1.00 0.00 H new ATOM 0 HG3 PRO A 132 2.517 13.835 1.679 1.00 0.00 H new ATOM 0 HD2 PRO A 132 3.385 11.231 2.695 1.00 0.00 H new ATOM 0 HD3 PRO A 132 1.919 11.595 1.805 1.00 0.00 H new ATOM 1443 N PHE A 133 6.141 10.269 -0.033 1.00 0.00 N ATOM 1444 CA PHE A 133 7.544 9.755 -0.028 1.00 0.00 C ATOM 1445 C PHE A 133 7.564 8.311 -0.551 1.00 0.00 C ATOM 1446 O PHE A 133 8.378 7.506 -0.145 1.00 0.00 O ATOM 1447 CB PHE A 133 8.100 9.805 1.407 1.00 0.00 C ATOM 1448 CG PHE A 133 8.653 11.183 1.700 1.00 0.00 C ATOM 1449 CD1 PHE A 133 7.801 12.201 2.168 1.00 0.00 C ATOM 1450 CD2 PHE A 133 10.024 11.446 1.504 1.00 0.00 C ATOM 1451 CE1 PHE A 133 8.319 13.482 2.442 1.00 0.00 C ATOM 1452 CE2 PHE A 133 10.540 12.728 1.777 1.00 0.00 C ATOM 1453 CZ PHE A 133 9.688 13.745 2.247 1.00 0.00 C ATOM 0 H PHE A 133 5.419 9.561 0.104 1.00 0.00 H new ATOM 0 HA PHE A 133 8.165 10.375 -0.675 1.00 0.00 H new ATOM 0 HB2 PHE A 133 7.312 9.561 2.120 1.00 0.00 H new ATOM 0 HB3 PHE A 133 8.883 9.056 1.529 1.00 0.00 H new ATOM 0 HD1 PHE A 133 6.750 12.000 2.317 1.00 0.00 H new ATOM 0 HD2 PHE A 133 10.678 10.665 1.145 1.00 0.00 H new ATOM 0 HE1 PHE A 133 7.665 14.263 2.802 1.00 0.00 H new ATOM 0 HE2 PHE A 133 11.590 12.931 1.626 1.00 0.00 H new ATOM 0 HZ PHE A 133 10.085 14.727 2.458 1.00 0.00 H new ATOM 1463 N PHE A 134 6.684 7.977 -1.461 1.00 0.00 N ATOM 1464 CA PHE A 134 6.671 6.588 -2.016 1.00 0.00 C ATOM 1465 C PHE A 134 6.137 6.614 -3.451 1.00 0.00 C ATOM 1466 O PHE A 134 5.223 5.890 -3.793 1.00 0.00 O ATOM 1467 CB PHE A 134 5.772 5.697 -1.156 1.00 0.00 C ATOM 1468 CG PHE A 134 6.013 4.249 -1.513 1.00 0.00 C ATOM 1469 CD1 PHE A 134 7.161 3.588 -1.036 1.00 0.00 C ATOM 1470 CD2 PHE A 134 5.092 3.560 -2.326 1.00 0.00 C ATOM 1471 CE1 PHE A 134 7.389 2.240 -1.373 1.00 0.00 C ATOM 1472 CE2 PHE A 134 5.320 2.212 -2.661 1.00 0.00 C ATOM 1473 CZ PHE A 134 6.468 1.551 -2.185 1.00 0.00 C ATOM 0 H PHE A 134 5.976 8.604 -1.843 1.00 0.00 H new ATOM 0 HA PHE A 134 7.686 6.190 -2.012 1.00 0.00 H new ATOM 0 HB2 PHE A 134 5.981 5.862 -0.099 1.00 0.00 H new ATOM 0 HB3 PHE A 134 4.725 5.954 -1.318 1.00 0.00 H new ATOM 0 HD1 PHE A 134 7.867 4.115 -0.411 1.00 0.00 H new ATOM 0 HD2 PHE A 134 4.211 4.066 -2.692 1.00 0.00 H new ATOM 0 HE1 PHE A 134 8.271 1.734 -1.008 1.00 0.00 H new ATOM 0 HE2 PHE A 134 4.613 1.684 -3.284 1.00 0.00 H new ATOM 0 HZ PHE A 134 6.642 0.517 -2.442 1.00 0.00 H new ATOM 1483 N LYS A 135 6.697 7.443 -4.296 1.00 0.00 N ATOM 1484 CA LYS A 135 6.217 7.519 -5.712 1.00 0.00 C ATOM 1485 C LYS A 135 7.116 6.665 -6.611 1.00 0.00 C ATOM 1486 O LYS A 135 7.260 5.476 -6.406 1.00 0.00 O ATOM 1487 CB LYS A 135 6.253 8.978 -6.181 1.00 0.00 C ATOM 1488 CG LYS A 135 5.625 9.884 -5.112 1.00 0.00 C ATOM 1489 CD LYS A 135 4.260 9.327 -4.688 1.00 0.00 C ATOM 1490 CE LYS A 135 3.474 10.403 -3.936 1.00 0.00 C ATOM 1491 NZ LYS A 135 2.921 11.387 -4.909 1.00 0.00 N ATOM 0 H LYS A 135 7.467 8.072 -4.067 1.00 0.00 H new ATOM 0 HA LYS A 135 5.196 7.142 -5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 135 7.282 9.283 -6.371 1.00 0.00 H new ATOM 0 HB3 LYS A 135 5.712 9.081 -7.121 1.00 0.00 H new ATOM 0 HG2 LYS A 135 6.285 9.950 -4.247 1.00 0.00 H new ATOM 0 HG3 LYS A 135 5.509 10.895 -5.503 1.00 0.00 H new ATOM 0 HD2 LYS A 135 3.701 9.001 -5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 135 4.395 8.451 -4.053 1.00 0.00 H new ATOM 0 HE2 LYS A 135 2.665 9.946 -3.366 1.00 0.00 H new ATOM 0 HE3 LYS A 135 4.122 10.908 -3.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 3.171 12.351 -4.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 3.320 11.205 -5.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 1.886 11.293 -4.947 1.00 0.00 H new ATOM 1505 N ARG A 136 7.717 7.254 -7.615 1.00 0.00 N ATOM 1506 CA ARG A 136 8.595 6.462 -8.532 1.00 0.00 C ATOM 1507 C ARG A 136 9.741 7.341 -9.046 1.00 0.00 C ATOM 1508 O ARG A 136 10.882 6.928 -9.075 1.00 0.00 O ATOM 1509 CB ARG A 136 7.757 5.955 -9.717 1.00 0.00 C ATOM 1510 CG ARG A 136 8.670 5.356 -10.819 1.00 0.00 C ATOM 1511 CD ARG A 136 8.921 6.383 -11.937 1.00 0.00 C ATOM 1512 NE ARG A 136 7.809 6.318 -12.927 1.00 0.00 N ATOM 1513 CZ ARG A 136 7.651 7.278 -13.796 1.00 0.00 C ATOM 1514 NH1 ARG A 136 8.468 8.297 -13.799 1.00 0.00 N ATOM 1515 NH2 ARG A 136 6.677 7.220 -14.662 1.00 0.00 N ATOM 0 H ARG A 136 7.638 8.246 -7.839 1.00 0.00 H new ATOM 0 HA ARG A 136 9.016 5.615 -7.991 1.00 0.00 H new ATOM 0 HB2 ARG A 136 7.051 5.199 -9.372 1.00 0.00 H new ATOM 0 HB3 ARG A 136 7.170 6.775 -10.131 1.00 0.00 H new ATOM 0 HG2 ARG A 136 9.620 5.047 -10.383 1.00 0.00 H new ATOM 0 HG3 ARG A 136 8.206 4.463 -11.237 1.00 0.00 H new ATOM 0 HD2 ARG A 136 8.990 7.386 -11.516 1.00 0.00 H new ATOM 0 HD3 ARG A 136 9.872 6.178 -12.428 1.00 0.00 H new ATOM 0 HE ARG A 136 7.171 5.522 -12.925 1.00 0.00 H new ATOM 0 HH11 ARG A 136 9.230 8.342 -13.122 1.00 0.00 H new ATOM 0 HH12 ARG A 136 8.345 9.048 -14.478 1.00 0.00 H new ATOM 0 HH21 ARG A 136 6.039 6.424 -14.660 1.00 0.00 H new ATOM 0 HH22 ARG A 136 6.553 7.971 -15.342 1.00 0.00 H new ATOM 1529 N ASN A 137 9.445 8.543 -9.460 1.00 0.00 N ATOM 1530 CA ASN A 137 10.520 9.439 -9.980 1.00 0.00 C ATOM 1531 C ASN A 137 11.685 9.478 -8.986 1.00 0.00 C ATOM 1532 O ASN A 137 12.530 8.607 -8.985 1.00 0.00 O ATOM 1533 CB ASN A 137 9.956 10.850 -10.172 1.00 0.00 C ATOM 1534 CG ASN A 137 11.063 11.781 -10.671 1.00 0.00 C ATOM 1535 OD1 ASN A 137 12.154 11.789 -10.139 1.00 0.00 O ATOM 1536 ND2 ASN A 137 10.824 12.574 -11.681 1.00 0.00 N ATOM 0 H ASN A 137 8.507 8.944 -9.461 1.00 0.00 H new ATOM 0 HA ASN A 137 10.880 9.059 -10.936 1.00 0.00 H new ATOM 0 HB2 ASN A 137 9.134 10.830 -10.887 1.00 0.00 H new ATOM 0 HB3 ASN A 137 9.551 11.222 -9.231 1.00 0.00 H new ATOM 0 HD21 ASN A 137 11.554 13.199 -12.022 1.00 0.00 H new ATOM 0 HD22 ASN A 137 9.907 12.568 -12.129 1.00 0.00 H new ATOM 1543 N SER A 138 11.725 10.487 -8.145 1.00 0.00 N ATOM 1544 CA SER A 138 12.821 10.625 -7.126 1.00 0.00 C ATOM 1545 C SER A 138 13.282 9.231 -6.629 1.00 0.00 C ATOM 1546 O SER A 138 12.628 8.655 -5.784 1.00 0.00 O ATOM 1547 CB SER A 138 12.260 11.414 -5.942 1.00 0.00 C ATOM 1548 OG SER A 138 12.280 12.801 -6.253 1.00 0.00 O ATOM 0 H SER A 138 11.032 11.235 -8.121 1.00 0.00 H new ATOM 0 HA SER A 138 13.676 11.134 -7.572 1.00 0.00 H new ATOM 0 HB2 SER A 138 11.241 11.092 -5.725 1.00 0.00 H new ATOM 0 HB3 SER A 138 12.852 11.221 -5.048 1.00 0.00 H new ATOM 0 HG SER A 138 11.920 13.311 -5.498 1.00 0.00 H new ATOM 1554 N PRO A 139 14.376 8.708 -7.168 1.00 0.00 N ATOM 1555 CA PRO A 139 14.867 7.376 -6.757 1.00 0.00 C ATOM 1556 C PRO A 139 15.465 7.425 -5.334 1.00 0.00 C ATOM 1557 O PRO A 139 16.482 6.819 -5.061 1.00 0.00 O ATOM 1558 CB PRO A 139 15.947 7.017 -7.811 1.00 0.00 C ATOM 1559 CG PRO A 139 16.205 8.292 -8.666 1.00 0.00 C ATOM 1560 CD PRO A 139 15.197 9.370 -8.210 1.00 0.00 C ATOM 0 HA PRO A 139 14.071 6.633 -6.719 1.00 0.00 H new ATOM 0 HB2 PRO A 139 16.865 6.690 -7.323 1.00 0.00 H new ATOM 0 HB3 PRO A 139 15.610 6.194 -8.441 1.00 0.00 H new ATOM 0 HG2 PRO A 139 17.228 8.643 -8.532 1.00 0.00 H new ATOM 0 HG3 PRO A 139 16.079 8.074 -9.727 1.00 0.00 H new ATOM 0 HD2 PRO A 139 15.709 10.246 -7.812 1.00 0.00 H new ATOM 0 HD3 PRO A 139 14.580 9.711 -9.041 1.00 0.00 H new ATOM 1568 N PHE A 140 14.842 8.125 -4.418 1.00 0.00 N ATOM 1569 CA PHE A 140 15.393 8.181 -3.026 1.00 0.00 C ATOM 1570 C PHE A 140 14.251 8.315 -2.008 1.00 0.00 C ATOM 1571 O PHE A 140 14.482 8.503 -0.831 1.00 0.00 O ATOM 1572 CB PHE A 140 16.371 9.363 -2.899 1.00 0.00 C ATOM 1573 CG PHE A 140 15.624 10.675 -2.774 1.00 0.00 C ATOM 1574 CD1 PHE A 140 15.258 11.157 -1.502 1.00 0.00 C ATOM 1575 CD2 PHE A 140 15.299 11.416 -3.926 1.00 0.00 C ATOM 1576 CE1 PHE A 140 14.568 12.378 -1.382 1.00 0.00 C ATOM 1577 CE2 PHE A 140 14.609 12.639 -3.805 1.00 0.00 C ATOM 1578 CZ PHE A 140 14.242 13.118 -2.534 1.00 0.00 C ATOM 0 H PHE A 140 13.984 8.656 -4.570 1.00 0.00 H new ATOM 0 HA PHE A 140 15.931 7.256 -2.818 1.00 0.00 H new ATOM 0 HB2 PHE A 140 17.009 9.219 -2.027 1.00 0.00 H new ATOM 0 HB3 PHE A 140 17.025 9.394 -3.771 1.00 0.00 H new ATOM 0 HD1 PHE A 140 15.507 10.589 -0.618 1.00 0.00 H new ATOM 0 HD2 PHE A 140 15.578 11.048 -4.902 1.00 0.00 H new ATOM 0 HE1 PHE A 140 14.289 12.747 -0.406 1.00 0.00 H new ATOM 0 HE2 PHE A 140 14.362 13.209 -4.689 1.00 0.00 H new ATOM 0 HZ PHE A 140 13.710 14.053 -2.442 1.00 0.00 H new ATOM 1588 N LEU A 141 13.023 8.209 -2.444 1.00 0.00 N ATOM 1589 CA LEU A 141 11.883 8.323 -1.487 1.00 0.00 C ATOM 1590 C LEU A 141 11.624 6.966 -0.828 1.00 0.00 C ATOM 1591 O LEU A 141 10.539 6.428 -0.911 1.00 0.00 O ATOM 1592 CB LEU A 141 10.613 8.755 -2.226 1.00 0.00 C ATOM 1593 CG LEU A 141 10.890 9.977 -3.110 1.00 0.00 C ATOM 1594 CD1 LEU A 141 9.558 10.495 -3.680 1.00 0.00 C ATOM 1595 CD2 LEU A 141 11.568 11.074 -2.276 1.00 0.00 C ATOM 0 H LEU A 141 12.761 8.049 -3.417 1.00 0.00 H new ATOM 0 HA LEU A 141 12.139 9.066 -0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 141 10.245 7.932 -2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 141 9.830 8.991 -1.506 1.00 0.00 H new ATOM 0 HG LEU A 141 11.552 9.699 -3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 141 9.745 11.364 -4.310 1.00 0.00 H new ATOM 0 HD12 LEU A 141 9.087 9.711 -4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 141 8.897 10.777 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 141 11.764 11.941 -2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 141 10.913 11.363 -1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 141 12.509 10.697 -1.875 1.00 0.00 H new ATOM 1607 N LEU A 142 12.610 6.404 -0.175 1.00 0.00 N ATOM 1608 CA LEU A 142 12.422 5.080 0.486 1.00 0.00 C ATOM 1609 C LEU A 142 13.123 5.079 1.849 1.00 0.00 C ATOM 1610 O LEU A 142 12.486 5.106 2.884 1.00 0.00 O ATOM 1611 CB LEU A 142 13.037 3.995 -0.396 1.00 0.00 C ATOM 1612 CG LEU A 142 12.186 3.787 -1.659 1.00 0.00 C ATOM 1613 CD1 LEU A 142 12.913 2.816 -2.594 1.00 0.00 C ATOM 1614 CD2 LEU A 142 10.799 3.215 -1.292 1.00 0.00 C ATOM 0 H LEU A 142 13.541 6.809 -0.072 1.00 0.00 H new ATOM 0 HA LEU A 142 11.358 4.889 0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 142 14.052 4.277 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 142 13.107 3.061 0.161 1.00 0.00 H new ATOM 0 HG LEU A 142 12.042 4.747 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 142 12.317 2.662 -3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 142 13.883 3.232 -2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 142 13.058 1.862 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 142 10.212 3.075 -2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 142 10.922 2.256 -0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 142 10.283 3.910 -0.629 1.00 0.00 H new ATOM 1626 N ASP A 143 14.427 5.038 1.859 1.00 0.00 N ATOM 1627 CA ASP A 143 15.169 5.026 3.154 1.00 0.00 C ATOM 1628 C ASP A 143 14.593 6.084 4.102 1.00 0.00 C ATOM 1629 O ASP A 143 14.786 6.025 5.299 1.00 0.00 O ATOM 1630 CB ASP A 143 16.649 5.320 2.896 1.00 0.00 C ATOM 1631 CG ASP A 143 16.779 6.496 1.926 1.00 0.00 C ATOM 1632 OD1 ASP A 143 15.755 7.029 1.533 1.00 0.00 O ATOM 1633 OD2 ASP A 143 17.900 6.843 1.595 1.00 0.00 O ATOM 0 H ASP A 143 15.013 5.012 1.025 1.00 0.00 H new ATOM 0 HA ASP A 143 15.065 4.044 3.615 1.00 0.00 H new ATOM 0 HB2 ASP A 143 17.153 5.553 3.834 1.00 0.00 H new ATOM 0 HB3 ASP A 143 17.138 4.438 2.482 1.00 0.00 H new ATOM 1638 N GLN A 144 13.890 7.053 3.579 1.00 0.00 N ATOM 1639 CA GLN A 144 13.308 8.111 4.458 1.00 0.00 C ATOM 1640 C GLN A 144 11.980 7.613 5.045 1.00 0.00 C ATOM 1641 O GLN A 144 11.019 8.351 5.140 1.00 0.00 O ATOM 1642 CB GLN A 144 13.064 9.384 3.632 1.00 0.00 C ATOM 1643 CG GLN A 144 14.373 10.165 3.479 1.00 0.00 C ATOM 1644 CD GLN A 144 15.455 9.251 2.902 1.00 0.00 C ATOM 1645 OE1 GLN A 144 15.931 8.356 3.572 1.00 0.00 O ATOM 1646 NE2 GLN A 144 15.868 9.442 1.680 1.00 0.00 N ATOM 0 H GLN A 144 13.693 7.158 2.584 1.00 0.00 H new ATOM 0 HA GLN A 144 14.000 8.334 5.270 1.00 0.00 H new ATOM 0 HB2 GLN A 144 12.670 9.121 2.650 1.00 0.00 H new ATOM 0 HB3 GLN A 144 12.314 10.006 4.120 1.00 0.00 H new ATOM 0 HG2 GLN A 144 14.221 11.023 2.824 1.00 0.00 H new ATOM 0 HG3 GLN A 144 14.690 10.554 4.446 1.00 0.00 H new ATOM 0 HE21 GLN A 144 15.468 10.193 1.118 1.00 0.00 H new ATOM 0 HE22 GLN A 144 16.591 8.840 1.286 1.00 0.00 H new ATOM 1655 N ILE A 145 11.920 6.366 5.444 1.00 0.00 N ATOM 1656 CA ILE A 145 10.654 5.815 6.029 1.00 0.00 C ATOM 1657 C ILE A 145 10.998 4.902 7.213 1.00 0.00 C ATOM 1658 O ILE A 145 11.773 3.976 7.090 1.00 0.00 O ATOM 1659 CB ILE A 145 9.901 5.007 4.954 1.00 0.00 C ATOM 1660 CG1 ILE A 145 9.214 5.975 3.967 1.00 0.00 C ATOM 1661 CG2 ILE A 145 8.842 4.115 5.625 1.00 0.00 C ATOM 1662 CD1 ILE A 145 8.909 5.270 2.636 1.00 0.00 C ATOM 0 H ILE A 145 12.694 5.703 5.390 1.00 0.00 H new ATOM 0 HA ILE A 145 10.022 6.634 6.373 1.00 0.00 H new ATOM 0 HB ILE A 145 10.609 4.380 4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 145 8.290 6.352 4.404 1.00 0.00 H new ATOM 0 HG13 ILE A 145 9.857 6.837 3.788 1.00 0.00 H new ATOM 0 HG21 ILE A 145 8.311 3.545 4.863 1.00 0.00 H new ATOM 0 HG22 ILE A 145 9.330 3.429 6.317 1.00 0.00 H new ATOM 0 HG23 ILE A 145 8.134 4.739 6.171 1.00 0.00 H new ATOM 0 HD11 ILE A 145 8.425 5.971 1.956 1.00 0.00 H new ATOM 0 HD12 ILE A 145 9.839 4.915 2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 145 8.247 4.423 2.816 1.00 0.00 H new ATOM 1674 N LYS A 146 10.410 5.152 8.354 1.00 0.00 N ATOM 1675 CA LYS A 146 10.678 4.299 9.551 1.00 0.00 C ATOM 1676 C LYS A 146 9.420 4.267 10.425 1.00 0.00 C ATOM 1677 O LYS A 146 8.515 5.058 10.249 1.00 0.00 O ATOM 1678 CB LYS A 146 11.842 4.883 10.364 1.00 0.00 C ATOM 1679 CG LYS A 146 13.182 4.648 9.646 1.00 0.00 C ATOM 1680 CD LYS A 146 13.480 3.136 9.533 1.00 0.00 C ATOM 1681 CE LYS A 146 14.995 2.895 9.547 1.00 0.00 C ATOM 1682 NZ LYS A 146 15.265 1.430 9.477 1.00 0.00 N ATOM 0 H LYS A 146 9.751 5.915 8.509 1.00 0.00 H new ATOM 0 HA LYS A 146 10.940 3.292 9.227 1.00 0.00 H new ATOM 0 HB2 LYS A 146 11.687 5.951 10.514 1.00 0.00 H new ATOM 0 HB3 LYS A 146 11.868 4.423 11.352 1.00 0.00 H new ATOM 0 HG2 LYS A 146 13.151 5.093 8.652 1.00 0.00 H new ATOM 0 HG3 LYS A 146 13.985 5.143 10.192 1.00 0.00 H new ATOM 0 HD2 LYS A 146 13.011 2.602 10.360 1.00 0.00 H new ATOM 0 HD3 LYS A 146 13.049 2.740 8.613 1.00 0.00 H new ATOM 0 HE2 LYS A 146 15.463 3.403 8.703 1.00 0.00 H new ATOM 0 HE3 LYS A 146 15.432 3.314 10.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 16.292 1.265 9.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 14.831 0.958 10.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 14.861 1.044 8.600 1.00 0.00 H new ATOM 1696 N ARG A 147 9.355 3.364 11.369 1.00 0.00 N ATOM 1697 CA ARG A 147 8.149 3.294 12.249 1.00 0.00 C ATOM 1698 C ARG A 147 8.309 4.275 13.410 1.00 0.00 C ATOM 1699 O ARG A 147 9.389 4.471 13.931 1.00 0.00 O ATOM 1700 CB ARG A 147 7.976 1.871 12.799 1.00 0.00 C ATOM 1701 CG ARG A 147 9.301 1.354 13.400 1.00 0.00 C ATOM 1702 CD ARG A 147 10.083 0.534 12.361 1.00 0.00 C ATOM 1703 NE ARG A 147 11.529 0.529 12.721 1.00 0.00 N ATOM 1704 CZ ARG A 147 12.336 -0.337 12.172 1.00 0.00 C ATOM 1705 NH1 ARG A 147 11.877 -1.200 11.307 1.00 0.00 N ATOM 1706 NH2 ARG A 147 13.602 -0.341 12.488 1.00 0.00 N ATOM 0 H ARG A 147 10.080 2.675 11.568 1.00 0.00 H new ATOM 0 HA ARG A 147 7.267 3.557 11.665 1.00 0.00 H new ATOM 0 HB2 ARG A 147 7.197 1.863 13.562 1.00 0.00 H new ATOM 0 HB3 ARG A 147 7.648 1.205 12.001 1.00 0.00 H new ATOM 0 HG2 ARG A 147 9.906 2.195 13.737 1.00 0.00 H new ATOM 0 HG3 ARG A 147 9.094 0.739 14.276 1.00 0.00 H new ATOM 0 HD2 ARG A 147 9.702 -0.487 12.326 1.00 0.00 H new ATOM 0 HD3 ARG A 147 9.946 0.960 11.367 1.00 0.00 H new ATOM 0 HE ARG A 147 11.888 1.203 13.397 1.00 0.00 H new ATOM 0 HH11 ARG A 147 10.887 -1.197 11.060 1.00 0.00 H new ATOM 0 HH12 ARG A 147 12.508 -1.877 10.878 1.00 0.00 H new ATOM 0 HH21 ARG A 147 13.961 0.333 13.164 1.00 0.00 H new ATOM 0 HH22 ARG A 147 14.233 -1.018 12.059 1.00 0.00 H new ATOM 1720 N LYS A 148 7.238 4.897 13.818 1.00 0.00 N ATOM 1721 CA LYS A 148 7.321 5.870 14.944 1.00 0.00 C ATOM 1722 C LYS A 148 7.320 5.113 16.274 1.00 0.00 C ATOM 1723 O LYS A 148 6.292 4.679 16.751 1.00 0.00 O ATOM 1724 CB LYS A 148 6.114 6.813 14.893 1.00 0.00 C ATOM 1725 CG LYS A 148 6.246 7.886 15.987 1.00 0.00 C ATOM 1726 CD LYS A 148 5.313 9.081 15.682 1.00 0.00 C ATOM 1727 CE LYS A 148 6.059 10.150 14.868 1.00 0.00 C ATOM 1728 NZ LYS A 148 6.971 9.496 13.888 1.00 0.00 N ATOM 0 H LYS A 148 6.307 4.774 13.420 1.00 0.00 H new ATOM 0 HA LYS A 148 8.240 6.450 14.857 1.00 0.00 H new ATOM 0 HB2 LYS A 148 6.051 7.286 13.913 1.00 0.00 H new ATOM 0 HB3 LYS A 148 5.193 6.248 15.034 1.00 0.00 H new ATOM 0 HG2 LYS A 148 5.995 7.458 16.958 1.00 0.00 H new ATOM 0 HG3 LYS A 148 7.279 8.229 16.047 1.00 0.00 H new ATOM 0 HD2 LYS A 148 4.440 8.737 15.128 1.00 0.00 H new ATOM 0 HD3 LYS A 148 4.949 9.513 16.614 1.00 0.00 H new ATOM 0 HE2 LYS A 148 5.345 10.786 14.345 1.00 0.00 H new ATOM 0 HE3 LYS A 148 6.630 10.795 15.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 7.434 10.223 13.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 7.693 8.948 14.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 6.423 8.860 13.275 1.00 0.00 H new TER 1742 LYS A 148