USER MOD reduce.3.24.130724 H: found=0, std=0, add=1052, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1053 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 115 GLN : amide:sc= -4.28! C(o=-5.6!,f=-4.9!) USER MOD Set 1.2: A 117 TYR OH : rot -160:sc= -1.28 USER MOD Set 2.1: A 92 LYS NZ :NH3+ -160:sc= -0.0783 (180deg=-0.746) USER MOD Set 2.2: A 103 ASN : amide:sc= 0 K(o=-0.078,f=-1.2) USER MOD Set 3.1: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 52 SER OG : rot -38:sc= -0.113! USER MOD Single : A 1 ALA N :NH3+ 142:sc= 0.0829 (180deg=0) USER MOD Single : A 4 SER OG : rot 76:sc= 0.865 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -158:sc= -0.0561 (180deg=-0.72) USER MOD Single : A 11 SER OG : rot -13:sc= -0.457 USER MOD Single : A 13 ASN : amide:sc= 0.866 K(o=0.87,f=-1.3) USER MOD Single : A 14 TYR OH : rot 180:sc= 0.0252 USER MOD Single : A 16 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0303) USER MOD Single : A 18 MET CE :methyl -161:sc= -0.6 (180deg=-0.973) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl 167:sc= -3.64! (180deg=-4.04!) USER MOD Single : A 24 ASN : amide:sc= -7.11! K(o=-7.1!,f=-0.18) USER MOD Single : A 27 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0255) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.824 K(o=-0.82,f=-0.29) USER MOD Single : A 35 ASN : amide:sc= -0.115 K(o=-0.11,f=-1.3) USER MOD Single : A 37 LYS NZ :NH3+ 162:sc= -1.58 (180deg=-2.39!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -8.59! C(o=-8.6!,f=-11!) USER MOD Single : A 45 ASN : amide:sc= -6.87! K(o=-6.9!,f=-0.37) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -17:sc= 0.315 USER MOD Single : A 53 SER OG : rot -172:sc= -1.21! USER MOD Single : A 57 ASN : amide:sc= -1.82 K(o=-1.8,f=-5.4!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 69 ASN : amide:sc= -4.67! C(o=-4.7!,f=-11!) USER MOD Single : A 71 ASN : amide:sc= -2.3! C(o=-2.3!,f=-4.8!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.778 USER MOD Single : A 81 THR OG1 : rot -88:sc= -1.01! USER MOD Single : A 83 SER OG : rot 180:sc= -0.0237 USER MOD Single : A 87 ASN : amide:sc= -1.81! K(o=-1.8!,f=-0.41) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 23:sc= -2.3! USER MOD Single : A 98 ASN : amide:sc= -3.67! K(o=-3.7!,f=-0.76) USER MOD Single : A 100 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.2!) USER MOD Single : A 104 THR OG1 : rot 66:sc= -0.0116 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot -50:sc= -3.5 USER MOD Single : A 125 LYS NZ :NH3+ 167:sc= -1.85 (180deg=-2.26) USER MOD Single : A 129 LYS NZ :NH3+ 163:sc= 0.862 (180deg=0.681) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 117.403 8.481 -7.227 1.00 0.00 N ATOM 2 CA ALA A 1 117.429 7.006 -7.436 1.00 0.00 C ATOM 3 C ALA A 1 116.045 6.528 -7.877 1.00 0.00 C ATOM 4 O ALA A 1 115.046 7.168 -7.616 1.00 0.00 O ATOM 5 CB ALA A 1 117.815 6.311 -6.129 1.00 0.00 C ATOM 0 H1 ALA A 1 117.989 8.725 -6.403 1.00 0.00 H new ATOM 0 H2 ALA A 1 117.778 8.958 -8.072 1.00 0.00 H new ATOM 0 H3 ALA A 1 116.424 8.791 -7.060 1.00 0.00 H new ATOM 0 HA ALA A 1 118.160 6.763 -8.207 1.00 0.00 H new ATOM 0 HB1 ALA A 1 117.834 5.232 -6.282 1.00 0.00 H new ATOM 0 HB2 ALA A 1 118.802 6.650 -5.814 1.00 0.00 H new ATOM 0 HB3 ALA A 1 117.085 6.555 -5.358 1.00 0.00 H new ATOM 13 N PHE A 2 115.979 5.408 -8.546 1.00 0.00 N ATOM 14 CA PHE A 2 114.660 4.889 -9.008 1.00 0.00 C ATOM 15 C PHE A 2 113.799 6.057 -9.490 1.00 0.00 C ATOM 16 O PHE A 2 112.589 6.034 -9.391 1.00 0.00 O ATOM 17 CB PHE A 2 113.958 4.171 -7.849 1.00 0.00 C ATOM 18 CG PHE A 2 113.339 2.884 -8.342 1.00 0.00 C ATOM 19 CD1 PHE A 2 114.135 1.911 -8.964 1.00 0.00 C ATOM 20 CD2 PHE A 2 111.968 2.664 -8.177 1.00 0.00 C ATOM 21 CE1 PHE A 2 113.553 0.721 -9.422 1.00 0.00 C ATOM 22 CE2 PHE A 2 111.389 1.475 -8.634 1.00 0.00 C ATOM 23 CZ PHE A 2 112.182 0.504 -9.255 1.00 0.00 C ATOM 0 H PHE A 2 116.782 4.830 -8.792 1.00 0.00 H new ATOM 0 HA PHE A 2 114.809 4.186 -9.828 1.00 0.00 H new ATOM 0 HB2 PHE A 2 114.673 3.960 -7.054 1.00 0.00 H new ATOM 0 HB3 PHE A 2 113.189 4.815 -7.423 1.00 0.00 H new ATOM 0 HD1 PHE A 2 115.195 2.078 -9.090 1.00 0.00 H new ATOM 0 HD2 PHE A 2 111.355 3.412 -7.696 1.00 0.00 H new ATOM 0 HE1 PHE A 2 114.164 -0.028 -9.904 1.00 0.00 H new ATOM 0 HE2 PHE A 2 110.330 1.307 -8.507 1.00 0.00 H new ATOM 0 HZ PHE A 2 111.735 -0.414 -9.606 1.00 0.00 H new ATOM 33 N ASP A 3 114.420 7.079 -10.006 1.00 0.00 N ATOM 34 CA ASP A 3 113.646 8.257 -10.494 1.00 0.00 C ATOM 35 C ASP A 3 112.920 7.897 -11.791 1.00 0.00 C ATOM 36 O ASP A 3 113.486 7.952 -12.864 1.00 0.00 O ATOM 37 CB ASP A 3 114.604 9.421 -10.753 1.00 0.00 C ATOM 38 CG ASP A 3 113.832 10.593 -11.362 1.00 0.00 C ATOM 39 OD1 ASP A 3 112.944 11.101 -10.697 1.00 0.00 O ATOM 40 OD2 ASP A 3 114.140 10.961 -12.483 1.00 0.00 O ATOM 0 H ASP A 3 115.432 7.151 -10.112 1.00 0.00 H new ATOM 0 HA ASP A 3 112.914 8.546 -9.740 1.00 0.00 H new ATOM 0 HB2 ASP A 3 115.078 9.729 -9.821 1.00 0.00 H new ATOM 0 HB3 ASP A 3 115.401 9.107 -11.428 1.00 0.00 H new ATOM 45 N SER A 4 111.668 7.534 -11.703 1.00 0.00 N ATOM 46 CA SER A 4 110.906 7.175 -12.934 1.00 0.00 C ATOM 47 C SER A 4 109.680 6.341 -12.554 1.00 0.00 C ATOM 48 O SER A 4 109.275 6.294 -11.407 1.00 0.00 O ATOM 49 CB SER A 4 111.804 6.370 -13.876 1.00 0.00 C ATOM 50 OG SER A 4 112.438 7.256 -14.791 1.00 0.00 O ATOM 0 H SER A 4 111.140 7.471 -10.832 1.00 0.00 H new ATOM 0 HA SER A 4 110.580 8.086 -13.436 1.00 0.00 H new ATOM 0 HB2 SER A 4 112.553 5.822 -13.304 1.00 0.00 H new ATOM 0 HB3 SER A 4 111.213 5.631 -14.417 1.00 0.00 H new ATOM 0 HG SER A 4 113.168 7.727 -14.338 1.00 0.00 H new ATOM 56 N THR A 5 109.085 5.680 -13.512 1.00 0.00 N ATOM 57 CA THR A 5 107.887 4.848 -13.215 1.00 0.00 C ATOM 58 C THR A 5 108.311 3.388 -13.056 1.00 0.00 C ATOM 59 O THR A 5 109.187 2.906 -13.745 1.00 0.00 O ATOM 60 CB THR A 5 106.883 4.966 -14.365 1.00 0.00 C ATOM 61 OG1 THR A 5 106.326 6.274 -14.372 1.00 0.00 O ATOM 62 CG2 THR A 5 105.768 3.936 -14.181 1.00 0.00 C ATOM 0 H THR A 5 109.379 5.682 -14.489 1.00 0.00 H new ATOM 0 HA THR A 5 107.422 5.196 -12.292 1.00 0.00 H new ATOM 0 HB THR A 5 107.391 4.781 -15.311 1.00 0.00 H new ATOM 0 HG1 THR A 5 105.684 6.352 -15.108 1.00 0.00 H new ATOM 0 HG21 THR A 5 105.055 4.022 -15.001 1.00 0.00 H new ATOM 0 HG22 THR A 5 106.196 2.934 -14.176 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.258 4.117 -13.235 1.00 0.00 H new ATOM 70 N TRP A 6 107.701 2.685 -12.144 1.00 0.00 N ATOM 71 CA TRP A 6 108.072 1.260 -11.925 1.00 0.00 C ATOM 72 C TRP A 6 106.832 0.475 -11.497 1.00 0.00 C ATOM 73 O TRP A 6 105.802 1.045 -11.200 1.00 0.00 O ATOM 74 CB TRP A 6 109.132 1.174 -10.832 1.00 0.00 C ATOM 75 CG TRP A 6 110.132 2.272 -11.014 1.00 0.00 C ATOM 76 CD1 TRP A 6 109.892 3.585 -10.796 1.00 0.00 C ATOM 77 CD2 TRP A 6 111.520 2.176 -11.445 1.00 0.00 C ATOM 78 NE1 TRP A 6 111.048 4.300 -11.059 1.00 0.00 N ATOM 79 CE2 TRP A 6 112.079 3.474 -11.463 1.00 0.00 C ATOM 80 CE3 TRP A 6 112.339 1.098 -11.816 1.00 0.00 C ATOM 81 CZ2 TRP A 6 113.406 3.692 -11.836 1.00 0.00 C ATOM 82 CZ3 TRP A 6 113.673 1.311 -12.190 1.00 0.00 C ATOM 83 CH2 TRP A 6 114.207 2.607 -12.200 1.00 0.00 C ATOM 0 H TRP A 6 106.959 3.037 -11.539 1.00 0.00 H new ATOM 0 HA TRP A 6 108.469 0.839 -12.849 1.00 0.00 H new ATOM 0 HB2 TRP A 6 108.664 1.254 -9.851 1.00 0.00 H new ATOM 0 HB3 TRP A 6 109.630 0.205 -10.870 1.00 0.00 H new ATOM 0 HD1 TRP A 6 108.953 4.007 -10.470 1.00 0.00 H new ATOM 0 HE1 TRP A 6 111.129 5.313 -10.966 1.00 0.00 H new ATOM 0 HE3 TRP A 6 111.938 0.095 -11.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 113.811 4.693 -11.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 114.292 0.472 -12.472 1.00 0.00 H new ATOM 0 HH2 TRP A 6 115.235 2.766 -12.489 1.00 0.00 H new ATOM 94 N LYS A 7 106.914 -0.826 -11.463 1.00 0.00 N ATOM 95 CA LYS A 7 105.731 -1.628 -11.053 1.00 0.00 C ATOM 96 C LYS A 7 106.197 -2.939 -10.429 1.00 0.00 C ATOM 97 O LYS A 7 107.022 -3.639 -10.981 1.00 0.00 O ATOM 98 CB LYS A 7 104.859 -1.921 -12.278 1.00 0.00 C ATOM 99 CG LYS A 7 105.426 -3.120 -13.042 1.00 0.00 C ATOM 100 CD LYS A 7 104.791 -3.190 -14.432 1.00 0.00 C ATOM 101 CE LYS A 7 105.139 -4.529 -15.085 1.00 0.00 C ATOM 102 NZ LYS A 7 106.565 -4.861 -14.808 1.00 0.00 N ATOM 0 H LYS A 7 107.746 -1.366 -11.701 1.00 0.00 H new ATOM 0 HA LYS A 7 105.148 -1.067 -10.323 1.00 0.00 H new ATOM 0 HB2 LYS A 7 103.835 -2.128 -11.966 1.00 0.00 H new ATOM 0 HB3 LYS A 7 104.824 -1.047 -12.928 1.00 0.00 H new ATOM 0 HG2 LYS A 7 106.509 -3.029 -13.130 1.00 0.00 H new ATOM 0 HG3 LYS A 7 105.227 -4.041 -12.493 1.00 0.00 H new ATOM 0 HD2 LYS A 7 103.709 -3.081 -14.355 1.00 0.00 H new ATOM 0 HD3 LYS A 7 105.151 -2.367 -15.050 1.00 0.00 H new ATOM 0 HE2 LYS A 7 104.490 -5.314 -14.698 1.00 0.00 H new ATOM 0 HE3 LYS A 7 104.969 -4.476 -16.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 106.909 -5.535 -15.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 107.137 -3.993 -14.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 106.645 -5.287 -13.862 1.00 0.00 H new ATOM 116 N VAL A 8 105.678 -3.277 -9.282 1.00 0.00 N ATOM 117 CA VAL A 8 106.098 -4.543 -8.631 1.00 0.00 C ATOM 118 C VAL A 8 106.250 -5.630 -9.690 1.00 0.00 C ATOM 119 O VAL A 8 105.286 -6.158 -10.208 1.00 0.00 O ATOM 120 CB VAL A 8 105.057 -4.950 -7.580 1.00 0.00 C ATOM 121 CG1 VAL A 8 103.689 -4.386 -7.965 1.00 0.00 C ATOM 122 CG2 VAL A 8 104.974 -6.479 -7.481 1.00 0.00 C ATOM 0 H VAL A 8 104.984 -2.732 -8.771 1.00 0.00 H new ATOM 0 HA VAL A 8 107.057 -4.404 -8.132 1.00 0.00 H new ATOM 0 HB VAL A 8 105.357 -4.548 -6.612 1.00 0.00 H new ATOM 0 HG11 VAL A 8 102.952 -4.677 -7.217 1.00 0.00 H new ATOM 0 HG12 VAL A 8 103.745 -3.299 -8.016 1.00 0.00 H new ATOM 0 HG13 VAL A 8 103.394 -4.780 -8.937 1.00 0.00 H new ATOM 0 HG21 VAL A 8 104.232 -6.755 -6.732 1.00 0.00 H new ATOM 0 HG22 VAL A 8 104.685 -6.891 -8.448 1.00 0.00 H new ATOM 0 HG23 VAL A 8 105.946 -6.878 -7.193 1.00 0.00 H new ATOM 132 N ASP A 9 107.467 -5.975 -10.001 1.00 0.00 N ATOM 133 CA ASP A 9 107.709 -7.036 -11.008 1.00 0.00 C ATOM 134 C ASP A 9 107.955 -8.339 -10.260 1.00 0.00 C ATOM 135 O ASP A 9 107.607 -9.410 -10.717 1.00 0.00 O ATOM 136 CB ASP A 9 108.938 -6.682 -11.848 1.00 0.00 C ATOM 137 CG ASP A 9 109.054 -7.657 -13.022 1.00 0.00 C ATOM 138 OD1 ASP A 9 109.949 -8.485 -12.991 1.00 0.00 O ATOM 139 OD2 ASP A 9 108.245 -7.559 -13.930 1.00 0.00 O ATOM 0 H ASP A 9 108.308 -5.563 -9.597 1.00 0.00 H new ATOM 0 HA ASP A 9 106.851 -7.133 -11.673 1.00 0.00 H new ATOM 0 HB2 ASP A 9 108.857 -5.660 -12.218 1.00 0.00 H new ATOM 0 HB3 ASP A 9 109.837 -6.728 -11.233 1.00 0.00 H new ATOM 144 N ARG A 10 108.542 -8.249 -9.097 1.00 0.00 N ATOM 145 CA ARG A 10 108.799 -9.484 -8.301 1.00 0.00 C ATOM 146 C ARG A 10 108.587 -9.192 -6.813 1.00 0.00 C ATOM 147 O ARG A 10 108.528 -8.052 -6.399 1.00 0.00 O ATOM 148 CB ARG A 10 110.234 -9.970 -8.534 1.00 0.00 C ATOM 149 CG ARG A 10 110.608 -9.788 -10.006 1.00 0.00 C ATOM 150 CD ARG A 10 111.800 -10.686 -10.345 1.00 0.00 C ATOM 151 NE ARG A 10 112.707 -10.776 -9.166 1.00 0.00 N ATOM 152 CZ ARG A 10 113.653 -9.891 -9.001 1.00 0.00 C ATOM 153 NH1 ARG A 10 114.450 -9.973 -7.971 1.00 0.00 N ATOM 154 NH2 ARG A 10 113.803 -8.926 -9.866 1.00 0.00 N ATOM 0 H ARG A 10 108.853 -7.379 -8.665 1.00 0.00 H new ATOM 0 HA ARG A 10 108.105 -10.262 -8.618 1.00 0.00 H new ATOM 0 HB2 ARG A 10 110.924 -9.412 -7.902 1.00 0.00 H new ATOM 0 HB3 ARG A 10 110.323 -11.020 -8.253 1.00 0.00 H new ATOM 0 HG2 ARG A 10 109.759 -10.038 -10.642 1.00 0.00 H new ATOM 0 HG3 ARG A 10 110.857 -8.745 -10.203 1.00 0.00 H new ATOM 0 HD2 ARG A 10 111.452 -11.680 -10.626 1.00 0.00 H new ATOM 0 HD3 ARG A 10 112.340 -10.284 -11.202 1.00 0.00 H new ATOM 0 HE ARG A 10 112.589 -11.529 -8.488 1.00 0.00 H new ATOM 0 HH11 ARG A 10 114.334 -10.728 -7.295 1.00 0.00 H new ATOM 0 HH12 ARG A 10 115.189 -9.282 -7.842 1.00 0.00 H new ATOM 0 HH21 ARG A 10 113.181 -8.862 -10.672 1.00 0.00 H new ATOM 0 HH22 ARG A 10 114.542 -8.235 -9.736 1.00 0.00 H new ATOM 168 N SER A 11 108.468 -10.215 -6.008 1.00 0.00 N ATOM 169 CA SER A 11 108.254 -10.000 -4.546 1.00 0.00 C ATOM 170 C SER A 11 108.387 -11.338 -3.813 1.00 0.00 C ATOM 171 O SER A 11 108.597 -12.368 -4.423 1.00 0.00 O ATOM 172 CB SER A 11 106.855 -9.429 -4.313 1.00 0.00 C ATOM 173 OG SER A 11 106.758 -8.154 -4.936 1.00 0.00 O ATOM 0 H SER A 11 108.510 -11.191 -6.300 1.00 0.00 H new ATOM 0 HA SER A 11 108.999 -9.300 -4.168 1.00 0.00 H new ATOM 0 HB2 SER A 11 106.102 -10.104 -4.720 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.659 -9.340 -3.244 1.00 0.00 H new ATOM 0 HG SER A 11 107.652 -7.846 -5.192 1.00 0.00 H new ATOM 179 N GLU A 12 108.265 -11.339 -2.511 1.00 0.00 N ATOM 180 CA GLU A 12 108.387 -12.619 -1.760 1.00 0.00 C ATOM 181 C GLU A 12 107.634 -12.520 -0.430 1.00 0.00 C ATOM 182 O GLU A 12 107.401 -11.442 0.085 1.00 0.00 O ATOM 183 CB GLU A 12 109.869 -12.922 -1.500 1.00 0.00 C ATOM 184 CG GLU A 12 110.296 -12.338 -0.150 1.00 0.00 C ATOM 185 CD GLU A 12 111.814 -12.151 -0.132 1.00 0.00 C ATOM 186 OE1 GLU A 12 112.319 -11.656 0.863 1.00 0.00 O ATOM 187 OE2 GLU A 12 112.447 -12.506 -1.112 1.00 0.00 O ATOM 0 H GLU A 12 108.087 -10.513 -1.940 1.00 0.00 H new ATOM 0 HA GLU A 12 107.952 -13.425 -2.351 1.00 0.00 H new ATOM 0 HB2 GLU A 12 110.035 -13.999 -1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 12 110.480 -12.499 -2.298 1.00 0.00 H new ATOM 0 HG2 GLU A 12 109.799 -11.382 0.018 1.00 0.00 H new ATOM 0 HG3 GLU A 12 109.991 -13.003 0.658 1.00 0.00 H new ATOM 194 N ASN A 13 107.258 -13.641 0.127 1.00 0.00 N ATOM 195 CA ASN A 13 106.524 -13.633 1.425 1.00 0.00 C ATOM 196 C ASN A 13 105.240 -12.811 1.291 1.00 0.00 C ATOM 197 O ASN A 13 104.299 -13.211 0.634 1.00 0.00 O ATOM 198 CB ASN A 13 107.412 -13.026 2.514 1.00 0.00 C ATOM 199 CG ASN A 13 108.340 -14.104 3.077 1.00 0.00 C ATOM 200 OD1 ASN A 13 108.554 -15.125 2.453 1.00 0.00 O ATOM 201 ND2 ASN A 13 108.905 -13.920 4.238 1.00 0.00 N ATOM 0 H ASN A 13 107.429 -14.567 -0.265 1.00 0.00 H new ATOM 0 HA ASN A 13 106.267 -14.657 1.697 1.00 0.00 H new ATOM 0 HB2 ASN A 13 107.999 -12.205 2.103 1.00 0.00 H new ATOM 0 HB3 ASN A 13 106.795 -12.610 3.311 1.00 0.00 H new ATOM 0 HD21 ASN A 13 109.526 -14.633 4.622 1.00 0.00 H new ATOM 0 HD22 ASN A 13 108.726 -13.064 4.762 1.00 0.00 H new ATOM 208 N TYR A 14 105.193 -11.664 1.910 1.00 0.00 N ATOM 209 CA TYR A 14 103.972 -10.815 1.825 1.00 0.00 C ATOM 210 C TYR A 14 102.848 -11.450 2.639 1.00 0.00 C ATOM 211 O TYR A 14 102.245 -10.811 3.478 1.00 0.00 O ATOM 212 CB TYR A 14 103.545 -10.674 0.357 1.00 0.00 C ATOM 213 CG TYR A 14 103.264 -9.222 0.035 1.00 0.00 C ATOM 214 CD1 TYR A 14 104.132 -8.219 0.489 1.00 0.00 C ATOM 215 CD2 TYR A 14 102.137 -8.881 -0.722 1.00 0.00 C ATOM 216 CE1 TYR A 14 103.870 -6.878 0.186 1.00 0.00 C ATOM 217 CE2 TYR A 14 101.876 -7.539 -1.024 1.00 0.00 C ATOM 218 CZ TYR A 14 102.742 -6.537 -0.569 1.00 0.00 C ATOM 219 OH TYR A 14 102.484 -5.215 -0.868 1.00 0.00 O ATOM 0 H TYR A 14 105.950 -11.277 2.473 1.00 0.00 H new ATOM 0 HA TYR A 14 104.188 -9.826 2.229 1.00 0.00 H new ATOM 0 HB2 TYR A 14 104.330 -11.054 -0.296 1.00 0.00 H new ATOM 0 HB3 TYR A 14 102.655 -11.275 0.169 1.00 0.00 H new ATOM 0 HD1 TYR A 14 105.002 -8.481 1.072 1.00 0.00 H new ATOM 0 HD2 TYR A 14 101.469 -9.653 -1.073 1.00 0.00 H new ATOM 0 HE1 TYR A 14 104.539 -6.105 0.535 1.00 0.00 H new ATOM 0 HE2 TYR A 14 101.006 -7.276 -1.608 1.00 0.00 H new ATOM 0 HH TYR A 14 101.663 -5.154 -1.400 1.00 0.00 H new ATOM 229 N ASP A 15 102.560 -12.698 2.414 1.00 0.00 N ATOM 230 CA ASP A 15 101.477 -13.345 3.199 1.00 0.00 C ATOM 231 C ASP A 15 101.862 -13.317 4.673 1.00 0.00 C ATOM 232 O ASP A 15 101.074 -12.963 5.526 1.00 0.00 O ATOM 233 CB ASP A 15 101.289 -14.791 2.735 1.00 0.00 C ATOM 234 CG ASP A 15 100.803 -14.803 1.284 1.00 0.00 C ATOM 235 OD1 ASP A 15 101.094 -15.765 0.591 1.00 0.00 O ATOM 236 OD2 ASP A 15 100.148 -13.852 0.890 1.00 0.00 O ATOM 0 H ASP A 15 103.022 -13.294 1.727 1.00 0.00 H new ATOM 0 HA ASP A 15 100.540 -12.809 3.051 1.00 0.00 H new ATOM 0 HB2 ASP A 15 102.229 -15.336 2.819 1.00 0.00 H new ATOM 0 HB3 ASP A 15 100.568 -15.299 3.375 1.00 0.00 H new ATOM 241 N LYS A 16 103.078 -13.669 4.978 1.00 0.00 N ATOM 242 CA LYS A 16 103.517 -13.639 6.397 1.00 0.00 C ATOM 243 C LYS A 16 103.460 -12.193 6.883 1.00 0.00 C ATOM 244 O LYS A 16 103.154 -11.920 8.025 1.00 0.00 O ATOM 245 CB LYS A 16 104.950 -14.166 6.507 1.00 0.00 C ATOM 246 CG LYS A 16 105.026 -15.570 5.901 1.00 0.00 C ATOM 247 CD LYS A 16 104.266 -16.554 6.792 1.00 0.00 C ATOM 248 CE LYS A 16 104.737 -17.980 6.497 1.00 0.00 C ATOM 249 NZ LYS A 16 106.019 -18.237 7.213 1.00 0.00 N ATOM 0 H LYS A 16 103.784 -13.975 4.308 1.00 0.00 H new ATOM 0 HA LYS A 16 102.867 -14.267 7.006 1.00 0.00 H new ATOM 0 HB2 LYS A 16 105.636 -13.497 5.988 1.00 0.00 H new ATOM 0 HB3 LYS A 16 105.260 -14.192 7.552 1.00 0.00 H new ATOM 0 HG2 LYS A 16 104.600 -15.568 4.898 1.00 0.00 H new ATOM 0 HG3 LYS A 16 106.067 -15.880 5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 16 104.434 -16.314 7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 16 103.194 -16.470 6.613 1.00 0.00 H new ATOM 0 HE2 LYS A 16 103.980 -18.698 6.815 1.00 0.00 H new ATOM 0 HE3 LYS A 16 104.874 -18.115 5.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 106.601 -18.895 6.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 106.532 -17.341 7.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 105.819 -18.654 8.144 1.00 0.00 H new ATOM 263 N PHE A 17 103.738 -11.264 6.010 1.00 0.00 N ATOM 264 CA PHE A 17 103.685 -9.834 6.400 1.00 0.00 C ATOM 265 C PHE A 17 102.230 -9.429 6.591 1.00 0.00 C ATOM 266 O PHE A 17 101.807 -9.044 7.666 1.00 0.00 O ATOM 267 CB PHE A 17 104.302 -9.015 5.274 1.00 0.00 C ATOM 268 CG PHE A 17 104.269 -7.550 5.618 1.00 0.00 C ATOM 269 CD1 PHE A 17 105.194 -7.039 6.524 1.00 0.00 C ATOM 270 CD2 PHE A 17 103.326 -6.705 5.022 1.00 0.00 C ATOM 271 CE1 PHE A 17 105.186 -5.678 6.844 1.00 0.00 C ATOM 272 CE2 PHE A 17 103.312 -5.342 5.340 1.00 0.00 C ATOM 273 CZ PHE A 17 104.243 -4.828 6.251 1.00 0.00 C ATOM 0 H PHE A 17 104.000 -11.439 5.040 1.00 0.00 H new ATOM 0 HA PHE A 17 104.230 -9.664 7.328 1.00 0.00 H new ATOM 0 HB2 PHE A 17 105.331 -9.333 5.105 1.00 0.00 H new ATOM 0 HB3 PHE A 17 103.757 -9.190 4.346 1.00 0.00 H new ATOM 0 HD1 PHE A 17 105.920 -7.695 6.981 1.00 0.00 H new ATOM 0 HD2 PHE A 17 102.611 -7.104 4.318 1.00 0.00 H new ATOM 0 HE1 PHE A 17 105.905 -5.283 7.546 1.00 0.00 H new ATOM 0 HE2 PHE A 17 102.584 -4.688 4.883 1.00 0.00 H new ATOM 0 HZ PHE A 17 104.234 -3.776 6.497 1.00 0.00 H new ATOM 283 N MET A 18 101.461 -9.525 5.550 1.00 0.00 N ATOM 284 CA MET A 18 100.022 -9.158 5.648 1.00 0.00 C ATOM 285 C MET A 18 99.351 -10.031 6.711 1.00 0.00 C ATOM 286 O MET A 18 98.342 -9.664 7.280 1.00 0.00 O ATOM 287 CB MET A 18 99.344 -9.386 4.296 1.00 0.00 C ATOM 288 CG MET A 18 100.080 -8.595 3.215 1.00 0.00 C ATOM 289 SD MET A 18 99.528 -6.871 3.246 1.00 0.00 S ATOM 290 CE MET A 18 100.488 -6.299 1.822 1.00 0.00 C ATOM 0 H MET A 18 101.765 -9.843 4.630 1.00 0.00 H new ATOM 0 HA MET A 18 99.929 -8.108 5.925 1.00 0.00 H new ATOM 0 HB2 MET A 18 99.348 -10.448 4.050 1.00 0.00 H new ATOM 0 HB3 MET A 18 98.301 -9.073 4.343 1.00 0.00 H new ATOM 0 HG2 MET A 18 101.156 -8.646 3.381 1.00 0.00 H new ATOM 0 HG3 MET A 18 99.887 -9.032 2.235 1.00 0.00 H new ATOM 0 HE1 MET A 18 100.572 -5.213 1.852 1.00 0.00 H new ATOM 0 HE2 MET A 18 101.484 -6.741 1.854 1.00 0.00 H new ATOM 0 HE3 MET A 18 99.987 -6.599 0.901 1.00 0.00 H new ATOM 300 N GLU A 19 99.903 -11.182 6.990 1.00 0.00 N ATOM 301 CA GLU A 19 99.292 -12.067 8.021 1.00 0.00 C ATOM 302 C GLU A 19 99.586 -11.501 9.408 1.00 0.00 C ATOM 303 O GLU A 19 98.758 -11.543 10.295 1.00 0.00 O ATOM 304 CB GLU A 19 99.880 -13.475 7.904 1.00 0.00 C ATOM 305 CG GLU A 19 99.370 -14.339 9.059 1.00 0.00 C ATOM 306 CD GLU A 19 99.773 -15.796 8.824 1.00 0.00 C ATOM 307 OE1 GLU A 19 100.195 -16.103 7.720 1.00 0.00 O ATOM 308 OE2 GLU A 19 99.655 -16.580 9.750 1.00 0.00 O ATOM 0 H GLU A 19 100.748 -11.546 6.549 1.00 0.00 H new ATOM 0 HA GLU A 19 98.214 -12.116 7.868 1.00 0.00 H new ATOM 0 HB2 GLU A 19 99.597 -13.921 6.950 1.00 0.00 H new ATOM 0 HB3 GLU A 19 100.969 -13.429 7.924 1.00 0.00 H new ATOM 0 HG2 GLU A 19 99.784 -13.984 10.003 1.00 0.00 H new ATOM 0 HG3 GLU A 19 98.286 -14.259 9.136 1.00 0.00 H new ATOM 315 N LYS A 20 100.758 -10.966 9.600 1.00 0.00 N ATOM 316 CA LYS A 20 101.102 -10.391 10.928 1.00 0.00 C ATOM 317 C LYS A 20 100.192 -9.196 11.204 1.00 0.00 C ATOM 318 O LYS A 20 99.632 -9.062 12.274 1.00 0.00 O ATOM 319 CB LYS A 20 102.565 -9.940 10.931 1.00 0.00 C ATOM 320 CG LYS A 20 103.478 -11.168 10.910 1.00 0.00 C ATOM 321 CD LYS A 20 103.710 -11.657 12.341 1.00 0.00 C ATOM 322 CE LYS A 20 104.606 -12.897 12.320 1.00 0.00 C ATOM 323 NZ LYS A 20 104.812 -13.384 13.713 1.00 0.00 N ATOM 0 H LYS A 20 101.492 -10.902 8.895 1.00 0.00 H new ATOM 0 HA LYS A 20 100.962 -11.145 11.703 1.00 0.00 H new ATOM 0 HB2 LYS A 20 102.764 -9.311 10.064 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.769 -9.337 11.816 1.00 0.00 H new ATOM 0 HG2 LYS A 20 103.026 -11.960 10.313 1.00 0.00 H new ATOM 0 HG3 LYS A 20 104.430 -10.919 10.441 1.00 0.00 H new ATOM 0 HD2 LYS A 20 104.175 -10.870 12.934 1.00 0.00 H new ATOM 0 HD3 LYS A 20 102.757 -11.892 12.815 1.00 0.00 H new ATOM 0 HE2 LYS A 20 104.149 -13.679 11.714 1.00 0.00 H new ATOM 0 HE3 LYS A 20 105.565 -12.658 11.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 105.421 -14.227 13.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 105.266 -12.638 14.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 103.893 -13.627 14.135 1.00 0.00 H new ATOM 337 N MET A 21 100.034 -8.331 10.243 1.00 0.00 N ATOM 338 CA MET A 21 99.151 -7.150 10.447 1.00 0.00 C ATOM 339 C MET A 21 97.723 -7.634 10.713 1.00 0.00 C ATOM 340 O MET A 21 96.852 -6.865 11.068 1.00 0.00 O ATOM 341 CB MET A 21 99.168 -6.272 9.188 1.00 0.00 C ATOM 342 CG MET A 21 100.068 -5.053 9.415 1.00 0.00 C ATOM 343 SD MET A 21 99.772 -3.835 8.109 1.00 0.00 S ATOM 344 CE MET A 21 101.255 -4.185 7.133 1.00 0.00 C ATOM 0 H MET A 21 100.477 -8.390 9.326 1.00 0.00 H new ATOM 0 HA MET A 21 99.507 -6.567 11.297 1.00 0.00 H new ATOM 0 HB2 MET A 21 99.530 -6.849 8.337 1.00 0.00 H new ATOM 0 HB3 MET A 21 98.156 -5.948 8.946 1.00 0.00 H new ATOM 0 HG2 MET A 21 99.863 -4.613 10.391 1.00 0.00 H new ATOM 0 HG3 MET A 21 101.115 -5.355 9.415 1.00 0.00 H new ATOM 0 HE1 MET A 21 101.168 -3.710 6.156 1.00 0.00 H new ATOM 0 HE2 MET A 21 102.131 -3.794 7.650 1.00 0.00 H new ATOM 0 HE3 MET A 21 101.360 -5.262 7.005 1.00 0.00 H new ATOM 354 N GLY A 22 97.476 -8.905 10.541 1.00 0.00 N ATOM 355 CA GLY A 22 96.105 -9.436 10.782 1.00 0.00 C ATOM 356 C GLY A 22 95.195 -9.035 9.620 1.00 0.00 C ATOM 357 O GLY A 22 93.998 -8.888 9.777 1.00 0.00 O ATOM 0 H GLY A 22 98.164 -9.597 10.244 1.00 0.00 H new ATOM 0 HA2 GLY A 22 96.135 -10.521 10.878 1.00 0.00 H new ATOM 0 HA3 GLY A 22 95.711 -9.044 11.720 1.00 0.00 H new ATOM 361 N VAL A 23 95.754 -8.856 8.454 1.00 0.00 N ATOM 362 CA VAL A 23 94.924 -8.464 7.282 1.00 0.00 C ATOM 363 C VAL A 23 94.126 -9.674 6.792 1.00 0.00 C ATOM 364 O VAL A 23 94.656 -10.756 6.632 1.00 0.00 O ATOM 365 CB VAL A 23 95.836 -7.966 6.159 1.00 0.00 C ATOM 366 CG1 VAL A 23 95.006 -7.198 5.128 1.00 0.00 C ATOM 367 CG2 VAL A 23 96.904 -7.038 6.744 1.00 0.00 C ATOM 0 H VAL A 23 96.750 -8.965 8.263 1.00 0.00 H new ATOM 0 HA VAL A 23 94.236 -7.670 7.573 1.00 0.00 H new ATOM 0 HB VAL A 23 96.316 -8.818 5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 23 95.656 -6.844 4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 23 94.244 -7.856 4.711 1.00 0.00 H new ATOM 0 HG13 VAL A 23 94.526 -6.346 5.609 1.00 0.00 H new ATOM 0 HG21 VAL A 23 97.554 -6.683 5.945 1.00 0.00 H new ATOM 0 HG22 VAL A 23 96.422 -6.187 7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 23 97.497 -7.583 7.479 1.00 0.00 H new ATOM 377 N ASN A 24 92.854 -9.502 6.555 1.00 0.00 N ATOM 378 CA ASN A 24 92.024 -10.643 6.077 1.00 0.00 C ATOM 379 C ASN A 24 92.725 -11.326 4.900 1.00 0.00 C ATOM 380 O ASN A 24 93.668 -10.803 4.339 1.00 0.00 O ATOM 381 CB ASN A 24 90.656 -10.127 5.627 1.00 0.00 C ATOM 382 CG ASN A 24 89.617 -11.241 5.763 1.00 0.00 C ATOM 383 OD1 ASN A 24 88.705 -11.145 6.559 1.00 0.00 O ATOM 384 ND2 ASN A 24 89.720 -12.306 5.014 1.00 0.00 N ATOM 0 H ASN A 24 92.354 -8.621 6.672 1.00 0.00 H new ATOM 0 HA ASN A 24 91.892 -11.360 6.887 1.00 0.00 H new ATOM 0 HB2 ASN A 24 90.364 -9.268 6.231 1.00 0.00 H new ATOM 0 HB3 ASN A 24 90.707 -9.787 4.592 1.00 0.00 H new ATOM 0 HD21 ASN A 24 89.035 -13.057 5.098 1.00 0.00 H new ATOM 0 HD22 ASN A 24 90.486 -12.387 4.345 1.00 0.00 H new ATOM 391 N ILE A 25 92.274 -12.491 4.522 1.00 0.00 N ATOM 392 CA ILE A 25 92.919 -13.204 3.384 1.00 0.00 C ATOM 393 C ILE A 25 92.373 -12.654 2.074 1.00 0.00 C ATOM 394 O ILE A 25 92.761 -13.052 0.993 1.00 0.00 O ATOM 395 CB ILE A 25 92.621 -14.702 3.496 1.00 0.00 C ATOM 396 CG1 ILE A 25 93.675 -15.367 4.390 1.00 0.00 C ATOM 397 CG2 ILE A 25 92.641 -15.346 2.107 1.00 0.00 C ATOM 398 CD1 ILE A 25 94.946 -15.648 3.582 1.00 0.00 C ATOM 0 H ILE A 25 91.488 -12.979 4.952 1.00 0.00 H new ATOM 0 HA ILE A 25 93.998 -13.053 3.410 1.00 0.00 H new ATOM 0 HB ILE A 25 91.633 -14.839 3.935 1.00 0.00 H new ATOM 0 HG12 ILE A 25 93.907 -14.719 5.235 1.00 0.00 H new ATOM 0 HG13 ILE A 25 93.282 -16.297 4.800 1.00 0.00 H new ATOM 0 HG21 ILE A 25 92.428 -16.411 2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 25 91.885 -14.877 1.477 1.00 0.00 H new ATOM 0 HG23 ILE A 25 93.624 -15.209 1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 25 95.689 -16.120 4.225 1.00 0.00 H new ATOM 0 HD12 ILE A 25 94.710 -16.313 2.751 1.00 0.00 H new ATOM 0 HD13 ILE A 25 95.345 -14.711 3.194 1.00 0.00 H new ATOM 410 N VAL A 26 91.479 -11.736 2.178 1.00 0.00 N ATOM 411 CA VAL A 26 90.878 -11.121 0.962 1.00 0.00 C ATOM 412 C VAL A 26 91.894 -10.184 0.313 1.00 0.00 C ATOM 413 O VAL A 26 92.284 -10.361 -0.826 1.00 0.00 O ATOM 414 CB VAL A 26 89.629 -10.329 1.353 1.00 0.00 C ATOM 415 CG1 VAL A 26 89.177 -9.470 0.172 1.00 0.00 C ATOM 416 CG2 VAL A 26 88.509 -11.299 1.735 1.00 0.00 C ATOM 0 H VAL A 26 91.126 -11.372 3.063 1.00 0.00 H new ATOM 0 HA VAL A 26 90.603 -11.905 0.256 1.00 0.00 H new ATOM 0 HB VAL A 26 89.859 -9.686 2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 26 88.287 -8.906 0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 26 89.974 -8.778 -0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 26 88.947 -10.112 -0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 26 87.619 -10.735 2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 26 88.280 -11.943 0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 26 88.830 -11.911 2.578 1.00 0.00 H new ATOM 426 N LYS A 27 92.329 -9.190 1.031 1.00 0.00 N ATOM 427 CA LYS A 27 93.325 -8.240 0.464 1.00 0.00 C ATOM 428 C LYS A 27 94.628 -8.991 0.182 1.00 0.00 C ATOM 429 O LYS A 27 95.375 -8.647 -0.712 1.00 0.00 O ATOM 430 CB LYS A 27 93.591 -7.116 1.470 1.00 0.00 C ATOM 431 CG LYS A 27 92.376 -6.187 1.538 1.00 0.00 C ATOM 432 CD LYS A 27 91.337 -6.768 2.501 1.00 0.00 C ATOM 433 CE LYS A 27 90.233 -5.737 2.742 1.00 0.00 C ATOM 434 NZ LYS A 27 90.702 -4.731 3.735 1.00 0.00 N ATOM 0 H LYS A 27 92.038 -8.993 1.988 1.00 0.00 H new ATOM 0 HA LYS A 27 92.939 -7.812 -0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 27 93.795 -7.537 2.455 1.00 0.00 H new ATOM 0 HB3 LYS A 27 94.476 -6.552 1.175 1.00 0.00 H new ATOM 0 HG2 LYS A 27 92.682 -5.196 1.872 1.00 0.00 H new ATOM 0 HG3 LYS A 27 91.941 -6.068 0.546 1.00 0.00 H new ATOM 0 HD2 LYS A 27 90.912 -7.682 2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 27 91.811 -7.037 3.445 1.00 0.00 H new ATOM 0 HE2 LYS A 27 89.970 -5.245 1.806 1.00 0.00 H new ATOM 0 HE3 LYS A 27 89.332 -6.231 3.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 89.924 -4.494 4.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 91.497 -5.124 4.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 91.013 -3.872 3.238 1.00 0.00 H new ATOM 448 N ARG A 28 94.904 -10.015 0.942 1.00 0.00 N ATOM 449 CA ARG A 28 96.157 -10.793 0.726 1.00 0.00 C ATOM 450 C ARG A 28 96.029 -11.631 -0.548 1.00 0.00 C ATOM 451 O ARG A 28 97.003 -11.901 -1.223 1.00 0.00 O ATOM 452 CB ARG A 28 96.389 -11.719 1.923 1.00 0.00 C ATOM 453 CG ARG A 28 97.759 -12.389 1.800 1.00 0.00 C ATOM 454 CD ARG A 28 97.722 -13.756 2.486 1.00 0.00 C ATOM 455 NE ARG A 28 97.051 -14.742 1.593 1.00 0.00 N ATOM 456 CZ ARG A 28 97.215 -16.021 1.793 1.00 0.00 C ATOM 457 NH1 ARG A 28 96.627 -16.884 1.010 1.00 0.00 N ATOM 458 NH2 ARG A 28 97.965 -16.437 2.776 1.00 0.00 N ATOM 0 H ARG A 28 94.314 -10.347 1.705 1.00 0.00 H new ATOM 0 HA ARG A 28 96.998 -10.107 0.624 1.00 0.00 H new ATOM 0 HB2 ARG A 28 96.334 -11.150 2.851 1.00 0.00 H new ATOM 0 HB3 ARG A 28 95.606 -12.476 1.966 1.00 0.00 H new ATOM 0 HG2 ARG A 28 98.026 -12.505 0.750 1.00 0.00 H new ATOM 0 HG3 ARG A 28 98.525 -11.762 2.257 1.00 0.00 H new ATOM 0 HD2 ARG A 28 98.735 -14.087 2.715 1.00 0.00 H new ATOM 0 HD3 ARG A 28 97.188 -13.685 3.433 1.00 0.00 H new ATOM 0 HE ARG A 28 96.463 -14.417 0.825 1.00 0.00 H new ATOM 0 HH11 ARG A 28 96.040 -16.559 0.242 1.00 0.00 H new ATOM 0 HH12 ARG A 28 96.755 -17.884 1.166 1.00 0.00 H new ATOM 0 HH21 ARG A 28 98.423 -15.762 3.389 1.00 0.00 H new ATOM 0 HH22 ARG A 28 98.093 -17.437 2.932 1.00 0.00 H new ATOM 472 N LYS A 29 94.840 -12.052 -0.879 1.00 0.00 N ATOM 473 CA LYS A 29 94.659 -12.881 -2.104 1.00 0.00 C ATOM 474 C LYS A 29 94.752 -11.999 -3.352 1.00 0.00 C ATOM 475 O LYS A 29 95.324 -12.383 -4.352 1.00 0.00 O ATOM 476 CB LYS A 29 93.285 -13.559 -2.061 1.00 0.00 C ATOM 477 CG LYS A 29 93.401 -14.905 -1.340 1.00 0.00 C ATOM 478 CD LYS A 29 93.738 -16.002 -2.353 1.00 0.00 C ATOM 479 CE LYS A 29 93.839 -17.347 -1.633 1.00 0.00 C ATOM 480 NZ LYS A 29 93.803 -18.450 -2.635 1.00 0.00 N ATOM 0 H LYS A 29 93.987 -11.858 -0.355 1.00 0.00 H new ATOM 0 HA LYS A 29 95.442 -13.638 -2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 29 92.568 -12.919 -1.546 1.00 0.00 H new ATOM 0 HB3 LYS A 29 92.910 -13.708 -3.073 1.00 0.00 H new ATOM 0 HG2 LYS A 29 94.175 -14.853 -0.574 1.00 0.00 H new ATOM 0 HG3 LYS A 29 92.465 -15.139 -0.833 1.00 0.00 H new ATOM 0 HD2 LYS A 29 92.970 -16.047 -3.125 1.00 0.00 H new ATOM 0 HD3 LYS A 29 94.679 -15.773 -2.853 1.00 0.00 H new ATOM 0 HE2 LYS A 29 94.763 -17.395 -1.057 1.00 0.00 H new ATOM 0 HE3 LYS A 29 93.016 -17.456 -0.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 93.872 -19.365 -2.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 92.910 -18.407 -3.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 94.602 -18.348 -3.293 1.00 0.00 H new ATOM 494 N LEU A 30 94.190 -10.824 -3.305 1.00 0.00 N ATOM 495 CA LEU A 30 94.242 -9.928 -4.496 1.00 0.00 C ATOM 496 C LEU A 30 95.526 -9.114 -4.479 1.00 0.00 C ATOM 497 O LEU A 30 95.904 -8.491 -5.452 1.00 0.00 O ATOM 498 CB LEU A 30 93.027 -8.996 -4.506 1.00 0.00 C ATOM 499 CG LEU A 30 92.961 -8.217 -3.187 1.00 0.00 C ATOM 500 CD1 LEU A 30 93.574 -6.828 -3.377 1.00 0.00 C ATOM 501 CD2 LEU A 30 91.499 -8.069 -2.754 1.00 0.00 C ATOM 0 H LEU A 30 93.698 -10.445 -2.496 1.00 0.00 H new ATOM 0 HA LEU A 30 94.224 -10.539 -5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 30 93.095 -8.304 -5.345 1.00 0.00 H new ATOM 0 HB3 LEU A 30 92.114 -9.575 -4.643 1.00 0.00 H new ATOM 0 HG LEU A 30 93.518 -8.758 -2.422 1.00 0.00 H new ATOM 0 HD11 LEU A 30 93.525 -6.277 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 30 94.615 -6.929 -3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 30 93.019 -6.287 -4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 30 91.452 -7.515 -1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 30 90.945 -7.530 -3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 30 91.059 -9.056 -2.615 1.00 0.00 H new ATOM 513 N ALA A 31 96.188 -9.121 -3.377 1.00 0.00 N ATOM 514 CA ALA A 31 97.460 -8.353 -3.255 1.00 0.00 C ATOM 515 C ALA A 31 98.621 -9.194 -3.788 1.00 0.00 C ATOM 516 O ALA A 31 99.417 -8.736 -4.583 1.00 0.00 O ATOM 517 CB ALA A 31 97.713 -8.008 -1.786 1.00 0.00 C ATOM 0 H ALA A 31 95.909 -9.629 -2.537 1.00 0.00 H new ATOM 0 HA ALA A 31 97.382 -7.434 -3.835 1.00 0.00 H new ATOM 0 HB1 ALA A 31 98.643 -7.447 -1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 31 96.888 -7.405 -1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 31 97.788 -8.927 -1.204 1.00 0.00 H new ATOM 523 N ALA A 32 98.727 -10.419 -3.352 1.00 0.00 N ATOM 524 CA ALA A 32 99.839 -11.288 -3.831 1.00 0.00 C ATOM 525 C ALA A 32 99.823 -11.351 -5.361 1.00 0.00 C ATOM 526 O ALA A 32 100.661 -11.982 -5.972 1.00 0.00 O ATOM 527 CB ALA A 32 99.666 -12.697 -3.261 1.00 0.00 C ATOM 0 H ALA A 32 98.091 -10.856 -2.685 1.00 0.00 H new ATOM 0 HA ALA A 32 100.790 -10.873 -3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 32 100.479 -13.333 -3.611 1.00 0.00 H new ATOM 0 HB2 ALA A 32 99.682 -12.653 -2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 32 98.713 -13.110 -3.593 1.00 0.00 H new ATOM 533 N HIS A 33 98.875 -10.704 -5.983 1.00 0.00 N ATOM 534 CA HIS A 33 98.808 -10.733 -7.472 1.00 0.00 C ATOM 535 C HIS A 33 98.425 -9.347 -7.996 1.00 0.00 C ATOM 536 O HIS A 33 97.569 -9.212 -8.848 1.00 0.00 O ATOM 537 CB HIS A 33 97.757 -11.754 -7.914 1.00 0.00 C ATOM 538 CG HIS A 33 98.181 -13.129 -7.477 1.00 0.00 C ATOM 539 ND1 HIS A 33 98.860 -13.998 -8.321 1.00 0.00 N ATOM 540 CD2 HIS A 33 98.028 -13.803 -6.289 1.00 0.00 C ATOM 541 CE1 HIS A 33 99.088 -15.134 -7.635 1.00 0.00 C ATOM 542 NE2 HIS A 33 98.601 -15.064 -6.394 1.00 0.00 N ATOM 0 H HIS A 33 98.145 -10.158 -5.525 1.00 0.00 H new ATOM 0 HA HIS A 33 99.782 -11.015 -7.873 1.00 0.00 H new ATOM 0 HB2 HIS A 33 96.788 -11.506 -7.481 1.00 0.00 H new ATOM 0 HB3 HIS A 33 97.639 -11.725 -8.997 1.00 0.00 H new ATOM 0 HD2 HIS A 33 97.538 -13.412 -5.409 1.00 0.00 H new ATOM 0 HE1 HIS A 33 99.601 -15.995 -8.038 1.00 0.00 H new ATOM 0 HE2 HIS A 33 98.641 -15.785 -5.674 1.00 0.00 H new ATOM 550 N ASP A 34 99.050 -8.316 -7.492 1.00 0.00 N ATOM 551 CA ASP A 34 98.722 -6.941 -7.958 1.00 0.00 C ATOM 552 C ASP A 34 99.998 -6.238 -8.428 1.00 0.00 C ATOM 553 O ASP A 34 100.732 -5.673 -7.642 1.00 0.00 O ATOM 554 CB ASP A 34 98.098 -6.149 -6.808 1.00 0.00 C ATOM 555 CG ASP A 34 97.491 -4.853 -7.350 1.00 0.00 C ATOM 556 OD1 ASP A 34 97.585 -3.847 -6.667 1.00 0.00 O ATOM 557 OD2 ASP A 34 96.944 -4.890 -8.440 1.00 0.00 O ATOM 0 H ASP A 34 99.775 -8.369 -6.776 1.00 0.00 H new ATOM 0 HA ASP A 34 98.016 -6.999 -8.786 1.00 0.00 H new ATOM 0 HB2 ASP A 34 97.329 -6.745 -6.317 1.00 0.00 H new ATOM 0 HB3 ASP A 34 98.854 -5.922 -6.056 1.00 0.00 H new ATOM 562 N ASN A 35 100.264 -6.266 -9.706 1.00 0.00 N ATOM 563 CA ASN A 35 101.489 -5.598 -10.232 1.00 0.00 C ATOM 564 C ASN A 35 101.310 -4.078 -10.158 1.00 0.00 C ATOM 565 O ASN A 35 101.620 -3.361 -11.089 1.00 0.00 O ATOM 566 CB ASN A 35 101.710 -6.014 -11.689 1.00 0.00 C ATOM 567 CG ASN A 35 100.441 -5.739 -12.496 1.00 0.00 C ATOM 568 OD1 ASN A 35 99.552 -6.566 -12.553 1.00 0.00 O ATOM 569 ND2 ASN A 35 100.318 -4.605 -13.130 1.00 0.00 N ATOM 0 H ASN A 35 99.685 -6.724 -10.410 1.00 0.00 H new ATOM 0 HA ASN A 35 102.351 -5.894 -9.634 1.00 0.00 H new ATOM 0 HB2 ASN A 35 102.550 -5.463 -12.112 1.00 0.00 H new ATOM 0 HB3 ASN A 35 101.965 -7.072 -11.741 1.00 0.00 H new ATOM 0 HD21 ASN A 35 99.476 -4.413 -13.673 1.00 0.00 H new ATOM 0 HD22 ASN A 35 101.064 -3.911 -13.082 1.00 0.00 H new ATOM 576 N LEU A 36 100.789 -3.583 -9.068 1.00 0.00 N ATOM 577 CA LEU A 36 100.564 -2.113 -8.944 1.00 0.00 C ATOM 578 C LEU A 36 101.776 -1.328 -9.463 1.00 0.00 C ATOM 579 O LEU A 36 102.897 -1.820 -9.498 1.00 0.00 O ATOM 580 CB LEU A 36 100.278 -1.748 -7.478 1.00 0.00 C ATOM 581 CG LEU A 36 101.585 -1.606 -6.678 1.00 0.00 C ATOM 582 CD1 LEU A 36 101.514 -0.353 -5.801 1.00 0.00 C ATOM 583 CD2 LEU A 36 101.774 -2.833 -5.783 1.00 0.00 C ATOM 0 H LEU A 36 100.509 -4.134 -8.256 1.00 0.00 H new ATOM 0 HA LEU A 36 99.701 -1.843 -9.553 1.00 0.00 H new ATOM 0 HB2 LEU A 36 99.718 -0.814 -7.435 1.00 0.00 H new ATOM 0 HB3 LEU A 36 99.652 -2.516 -7.024 1.00 0.00 H new ATOM 0 HG LEU A 36 102.423 -1.524 -7.370 1.00 0.00 H new ATOM 0 HD11 LEU A 36 102.440 -0.253 -5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 36 101.377 0.525 -6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 36 100.674 -0.439 -5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 36 102.700 -2.731 -5.217 1.00 0.00 H new ATOM 0 HD22 LEU A 36 100.934 -2.913 -5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 36 101.823 -3.730 -6.401 1.00 0.00 H new ATOM 595 N LYS A 37 101.545 -0.105 -9.864 1.00 0.00 N ATOM 596 CA LYS A 37 102.646 0.752 -10.388 1.00 0.00 C ATOM 597 C LYS A 37 103.001 1.818 -9.348 1.00 0.00 C ATOM 598 O LYS A 37 102.159 2.271 -8.598 1.00 0.00 O ATOM 599 CB LYS A 37 102.178 1.438 -11.680 1.00 0.00 C ATOM 600 CG LYS A 37 102.971 0.897 -12.873 1.00 0.00 C ATOM 601 CD LYS A 37 102.575 1.659 -14.142 1.00 0.00 C ATOM 602 CE LYS A 37 101.431 0.928 -14.848 1.00 0.00 C ATOM 603 NZ LYS A 37 100.255 0.843 -13.936 1.00 0.00 N ATOM 0 H LYS A 37 100.628 0.341 -9.850 1.00 0.00 H new ATOM 0 HA LYS A 37 103.523 0.138 -10.593 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.113 1.262 -11.830 1.00 0.00 H new ATOM 0 HB3 LYS A 37 102.315 2.516 -11.600 1.00 0.00 H new ATOM 0 HG2 LYS A 37 104.040 1.005 -12.691 1.00 0.00 H new ATOM 0 HG3 LYS A 37 102.775 -0.168 -13.000 1.00 0.00 H new ATOM 0 HD2 LYS A 37 102.269 2.674 -13.888 1.00 0.00 H new ATOM 0 HD3 LYS A 37 103.432 1.743 -14.810 1.00 0.00 H new ATOM 0 HE2 LYS A 37 101.158 1.455 -15.762 1.00 0.00 H new ATOM 0 HE3 LYS A 37 101.750 -0.072 -15.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 99.400 0.633 -14.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 100.410 0.087 -13.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 100.133 1.750 -13.441 1.00 0.00 H new ATOM 617 N LEU A 38 104.239 2.225 -9.302 1.00 0.00 N ATOM 618 CA LEU A 38 104.646 3.265 -8.316 1.00 0.00 C ATOM 619 C LEU A 38 105.607 4.252 -8.982 1.00 0.00 C ATOM 620 O LEU A 38 106.613 3.870 -9.547 1.00 0.00 O ATOM 621 CB LEU A 38 105.346 2.603 -7.125 1.00 0.00 C ATOM 622 CG LEU A 38 104.510 1.418 -6.625 1.00 0.00 C ATOM 623 CD1 LEU A 38 104.992 0.128 -7.294 1.00 0.00 C ATOM 624 CD2 LEU A 38 104.661 1.289 -5.104 1.00 0.00 C ATOM 0 H LEU A 38 104.987 1.882 -9.905 1.00 0.00 H new ATOM 0 HA LEU A 38 103.760 3.795 -7.967 1.00 0.00 H new ATOM 0 HB2 LEU A 38 106.339 2.262 -7.419 1.00 0.00 H new ATOM 0 HB3 LEU A 38 105.483 3.328 -6.323 1.00 0.00 H new ATOM 0 HG LEU A 38 103.463 1.587 -6.875 1.00 0.00 H new ATOM 0 HD11 LEU A 38 104.396 -0.712 -6.937 1.00 0.00 H new ATOM 0 HD12 LEU A 38 104.883 0.216 -8.375 1.00 0.00 H new ATOM 0 HD13 LEU A 38 106.040 -0.040 -7.047 1.00 0.00 H new ATOM 0 HD21 LEU A 38 104.067 0.447 -4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 38 105.709 1.124 -4.855 1.00 0.00 H new ATOM 0 HD23 LEU A 38 104.314 2.205 -4.625 1.00 0.00 H new ATOM 636 N THR A 39 105.309 5.521 -8.912 1.00 0.00 N ATOM 637 CA THR A 39 106.208 6.535 -9.532 1.00 0.00 C ATOM 638 C THR A 39 107.107 7.126 -8.446 1.00 0.00 C ATOM 639 O THR A 39 106.649 7.815 -7.559 1.00 0.00 O ATOM 640 CB THR A 39 105.369 7.649 -10.164 1.00 0.00 C ATOM 641 OG1 THR A 39 104.205 7.085 -10.752 1.00 0.00 O ATOM 642 CG2 THR A 39 106.191 8.364 -11.236 1.00 0.00 C ATOM 0 H THR A 39 104.481 5.899 -8.452 1.00 0.00 H new ATOM 0 HA THR A 39 106.817 6.066 -10.304 1.00 0.00 H new ATOM 0 HB THR A 39 105.078 8.366 -9.397 1.00 0.00 H new ATOM 0 HG1 THR A 39 103.665 7.796 -11.156 1.00 0.00 H new ATOM 0 HG21 THR A 39 105.593 9.157 -11.685 1.00 0.00 H new ATOM 0 HG22 THR A 39 107.083 8.796 -10.783 1.00 0.00 H new ATOM 0 HG23 THR A 39 106.484 7.650 -12.006 1.00 0.00 H new ATOM 650 N ILE A 40 108.381 6.851 -8.494 1.00 0.00 N ATOM 651 CA ILE A 40 109.292 7.390 -7.444 1.00 0.00 C ATOM 652 C ILE A 40 110.045 8.614 -7.967 1.00 0.00 C ATOM 653 O ILE A 40 110.777 8.541 -8.935 1.00 0.00 O ATOM 654 CB ILE A 40 110.298 6.311 -7.042 1.00 0.00 C ATOM 655 CG1 ILE A 40 109.551 5.144 -6.390 1.00 0.00 C ATOM 656 CG2 ILE A 40 111.301 6.894 -6.043 1.00 0.00 C ATOM 657 CD1 ILE A 40 108.901 4.272 -7.469 1.00 0.00 C ATOM 0 H ILE A 40 108.829 6.280 -9.210 1.00 0.00 H new ATOM 0 HA ILE A 40 108.697 7.684 -6.580 1.00 0.00 H new ATOM 0 HB ILE A 40 110.830 5.959 -7.926 1.00 0.00 H new ATOM 0 HG12 ILE A 40 110.241 4.546 -5.794 1.00 0.00 H new ATOM 0 HG13 ILE A 40 108.789 5.524 -5.709 1.00 0.00 H new ATOM 0 HG21 ILE A 40 112.018 6.125 -5.756 1.00 0.00 H new ATOM 0 HG22 ILE A 40 111.829 7.729 -6.503 1.00 0.00 H new ATOM 0 HG23 ILE A 40 110.771 7.244 -5.157 1.00 0.00 H new ATOM 0 HD11 ILE A 40 108.372 3.444 -6.998 1.00 0.00 H new ATOM 0 HD12 ILE A 40 108.197 4.872 -8.046 1.00 0.00 H new ATOM 0 HD13 ILE A 40 109.672 3.879 -8.132 1.00 0.00 H new ATOM 669 N THR A 41 109.880 9.737 -7.320 1.00 0.00 N ATOM 670 CA THR A 41 110.590 10.968 -7.751 1.00 0.00 C ATOM 671 C THR A 41 111.455 11.463 -6.593 1.00 0.00 C ATOM 672 O THR A 41 111.151 11.227 -5.440 1.00 0.00 O ATOM 673 CB THR A 41 109.571 12.047 -8.126 1.00 0.00 C ATOM 674 OG1 THR A 41 108.416 11.433 -8.680 1.00 0.00 O ATOM 675 CG2 THR A 41 110.187 13.002 -9.149 1.00 0.00 C ATOM 0 H THR A 41 109.278 9.851 -6.505 1.00 0.00 H new ATOM 0 HA THR A 41 111.214 10.752 -8.618 1.00 0.00 H new ATOM 0 HB THR A 41 109.291 12.608 -7.235 1.00 0.00 H new ATOM 0 HG1 THR A 41 107.762 12.122 -8.919 1.00 0.00 H new ATOM 0 HG21 THR A 41 109.460 13.769 -9.414 1.00 0.00 H new ATOM 0 HG22 THR A 41 111.072 13.473 -8.720 1.00 0.00 H new ATOM 0 HG23 THR A 41 110.470 12.445 -10.042 1.00 0.00 H new ATOM 683 N GLN A 42 112.531 12.138 -6.882 1.00 0.00 N ATOM 684 CA GLN A 42 113.409 12.635 -5.785 1.00 0.00 C ATOM 685 C GLN A 42 113.724 14.116 -6.001 1.00 0.00 C ATOM 686 O GLN A 42 113.835 14.581 -7.118 1.00 0.00 O ATOM 687 CB GLN A 42 114.714 11.834 -5.774 1.00 0.00 C ATOM 688 CG GLN A 42 115.586 12.255 -6.959 1.00 0.00 C ATOM 689 CD GLN A 42 114.748 12.256 -8.238 1.00 0.00 C ATOM 690 OE1 GLN A 42 114.029 11.314 -8.508 1.00 0.00 O ATOM 691 NE2 GLN A 42 114.811 13.281 -9.043 1.00 0.00 N ATOM 0 H GLN A 42 112.841 12.367 -7.826 1.00 0.00 H new ATOM 0 HA GLN A 42 112.895 12.513 -4.832 1.00 0.00 H new ATOM 0 HB2 GLN A 42 115.248 12.003 -4.839 1.00 0.00 H new ATOM 0 HB3 GLN A 42 114.498 10.767 -5.830 1.00 0.00 H new ATOM 0 HG2 GLN A 42 116.001 13.247 -6.783 1.00 0.00 H new ATOM 0 HG3 GLN A 42 116.428 11.571 -7.065 1.00 0.00 H new ATOM 0 HE21 GLN A 42 115.414 14.071 -8.816 1.00 0.00 H new ATOM 0 HE22 GLN A 42 114.257 13.292 -9.899 1.00 0.00 H new ATOM 700 N GLU A 43 113.876 14.862 -4.939 1.00 0.00 N ATOM 701 CA GLU A 43 114.192 16.310 -5.087 1.00 0.00 C ATOM 702 C GLU A 43 115.142 16.746 -3.970 1.00 0.00 C ATOM 703 O GLU A 43 114.740 17.355 -2.999 1.00 0.00 O ATOM 704 CB GLU A 43 112.901 17.129 -5.007 1.00 0.00 C ATOM 705 CG GLU A 43 112.226 17.154 -6.380 1.00 0.00 C ATOM 706 CD GLU A 43 113.034 18.037 -7.332 1.00 0.00 C ATOM 707 OE1 GLU A 43 113.510 19.069 -6.890 1.00 0.00 O ATOM 708 OE2 GLU A 43 113.165 17.665 -8.486 1.00 0.00 O ATOM 0 H GLU A 43 113.795 14.531 -3.978 1.00 0.00 H new ATOM 0 HA GLU A 43 114.668 16.477 -6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 43 112.228 16.695 -4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 43 113.122 18.145 -4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 43 112.153 16.142 -6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 43 111.209 17.535 -6.290 1.00 0.00 H new ATOM 715 N GLY A 44 116.404 16.446 -4.109 1.00 0.00 N ATOM 716 CA GLY A 44 117.393 16.851 -3.069 1.00 0.00 C ATOM 717 C GLY A 44 117.033 16.239 -1.711 1.00 0.00 C ATOM 718 O GLY A 44 117.558 15.215 -1.323 1.00 0.00 O ATOM 0 H GLY A 44 116.795 15.936 -4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 44 118.392 16.530 -3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 44 117.419 17.938 -2.988 1.00 0.00 H new ATOM 722 N ASN A 45 116.158 16.874 -0.975 1.00 0.00 N ATOM 723 CA ASN A 45 115.783 16.349 0.372 1.00 0.00 C ATOM 724 C ASN A 45 114.270 16.154 0.464 1.00 0.00 C ATOM 725 O ASN A 45 113.690 16.240 1.526 1.00 0.00 O ATOM 726 CB ASN A 45 116.234 17.339 1.448 1.00 0.00 C ATOM 727 CG ASN A 45 115.577 18.697 1.197 1.00 0.00 C ATOM 728 OD1 ASN A 45 115.728 19.613 1.983 1.00 0.00 O ATOM 729 ND2 ASN A 45 114.849 18.869 0.127 1.00 0.00 N ATOM 0 H ASN A 45 115.686 17.736 -1.249 1.00 0.00 H new ATOM 0 HA ASN A 45 116.273 15.388 0.525 1.00 0.00 H new ATOM 0 HB2 ASN A 45 115.962 16.968 2.436 1.00 0.00 H new ATOM 0 HB3 ASN A 45 117.319 17.440 1.433 1.00 0.00 H new ATOM 0 HD21 ASN A 45 114.407 19.771 -0.050 1.00 0.00 H new ATOM 0 HD22 ASN A 45 114.722 18.101 -0.532 1.00 0.00 H new ATOM 736 N LYS A 46 113.627 15.888 -0.634 1.00 0.00 N ATOM 737 CA LYS A 46 112.172 15.684 -0.611 1.00 0.00 C ATOM 738 C LYS A 46 111.819 14.680 -1.702 1.00 0.00 C ATOM 739 O LYS A 46 111.899 14.960 -2.881 1.00 0.00 O ATOM 740 CB LYS A 46 111.479 17.021 -0.882 1.00 0.00 C ATOM 741 CG LYS A 46 110.009 16.787 -1.251 1.00 0.00 C ATOM 742 CD LYS A 46 109.772 17.157 -2.721 1.00 0.00 C ATOM 743 CE LYS A 46 108.270 17.288 -2.978 1.00 0.00 C ATOM 744 NZ LYS A 46 107.812 18.645 -2.566 1.00 0.00 N ATOM 0 H LYS A 46 114.060 15.804 -1.554 1.00 0.00 H new ATOM 0 HA LYS A 46 111.846 15.307 0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 46 111.544 17.658 -0.000 1.00 0.00 H new ATOM 0 HB3 LYS A 46 111.986 17.545 -1.692 1.00 0.00 H new ATOM 0 HG2 LYS A 46 109.745 15.743 -1.083 1.00 0.00 H new ATOM 0 HG3 LYS A 46 109.364 17.386 -0.608 1.00 0.00 H new ATOM 0 HD2 LYS A 46 110.275 18.095 -2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 46 110.198 16.394 -3.372 1.00 0.00 H new ATOM 0 HE2 LYS A 46 108.055 17.125 -4.034 1.00 0.00 H new ATOM 0 HE3 LYS A 46 107.727 16.525 -2.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 106.791 18.735 -2.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 108.004 18.783 -1.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 108.322 19.365 -3.116 1.00 0.00 H new ATOM 758 N PHE A 47 111.432 13.515 -1.304 1.00 0.00 N ATOM 759 CA PHE A 47 111.065 12.462 -2.290 1.00 0.00 C ATOM 760 C PHE A 47 109.554 12.488 -2.521 1.00 0.00 C ATOM 761 O PHE A 47 108.822 13.163 -1.824 1.00 0.00 O ATOM 762 CB PHE A 47 111.480 11.089 -1.749 1.00 0.00 C ATOM 763 CG PHE A 47 112.831 10.708 -2.307 1.00 0.00 C ATOM 764 CD1 PHE A 47 113.968 11.445 -1.954 1.00 0.00 C ATOM 765 CD2 PHE A 47 112.946 9.616 -3.175 1.00 0.00 C ATOM 766 CE1 PHE A 47 115.220 11.090 -2.470 1.00 0.00 C ATOM 767 CE2 PHE A 47 114.197 9.261 -3.691 1.00 0.00 C ATOM 768 CZ PHE A 47 115.335 9.997 -3.339 1.00 0.00 C ATOM 0 H PHE A 47 111.351 13.236 -0.326 1.00 0.00 H new ATOM 0 HA PHE A 47 111.579 12.649 -3.233 1.00 0.00 H new ATOM 0 HB2 PHE A 47 111.520 11.114 -0.660 1.00 0.00 H new ATOM 0 HB3 PHE A 47 110.738 10.340 -2.024 1.00 0.00 H new ATOM 0 HD1 PHE A 47 113.879 12.287 -1.284 1.00 0.00 H new ATOM 0 HD2 PHE A 47 112.069 9.047 -3.446 1.00 0.00 H new ATOM 0 HE1 PHE A 47 116.097 11.659 -2.198 1.00 0.00 H new ATOM 0 HE2 PHE A 47 114.285 8.419 -4.361 1.00 0.00 H new ATOM 0 HZ PHE A 47 116.301 9.722 -3.737 1.00 0.00 H new ATOM 778 N THR A 48 109.080 11.753 -3.488 1.00 0.00 N ATOM 779 CA THR A 48 107.623 11.732 -3.756 1.00 0.00 C ATOM 780 C THR A 48 107.267 10.428 -4.462 1.00 0.00 C ATOM 781 O THR A 48 107.507 10.257 -5.642 1.00 0.00 O ATOM 782 CB THR A 48 107.257 12.911 -4.657 1.00 0.00 C ATOM 783 OG1 THR A 48 107.627 14.125 -4.020 1.00 0.00 O ATOM 784 CG2 THR A 48 105.752 12.907 -4.923 1.00 0.00 C ATOM 0 H THR A 48 109.643 11.166 -4.103 1.00 0.00 H new ATOM 0 HA THR A 48 107.073 11.807 -2.818 1.00 0.00 H new ATOM 0 HB THR A 48 107.788 12.822 -5.604 1.00 0.00 H new ATOM 0 HG1 THR A 48 107.771 13.962 -3.064 1.00 0.00 H new ATOM 0 HG21 THR A 48 105.494 13.749 -5.566 1.00 0.00 H new ATOM 0 HG22 THR A 48 105.472 11.976 -5.415 1.00 0.00 H new ATOM 0 HG23 THR A 48 105.215 12.994 -3.978 1.00 0.00 H new ATOM 792 N VAL A 49 106.695 9.511 -3.746 1.00 0.00 N ATOM 793 CA VAL A 49 106.311 8.211 -4.357 1.00 0.00 C ATOM 794 C VAL A 49 104.819 8.228 -4.686 1.00 0.00 C ATOM 795 O VAL A 49 103.981 8.311 -3.809 1.00 0.00 O ATOM 796 CB VAL A 49 106.601 7.076 -3.373 1.00 0.00 C ATOM 797 CG1 VAL A 49 106.361 5.730 -4.058 1.00 0.00 C ATOM 798 CG2 VAL A 49 108.057 7.162 -2.910 1.00 0.00 C ATOM 0 H VAL A 49 106.474 9.604 -2.755 1.00 0.00 H new ATOM 0 HA VAL A 49 106.886 8.055 -5.270 1.00 0.00 H new ATOM 0 HB VAL A 49 105.940 7.166 -2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 49 106.568 4.922 -3.356 1.00 0.00 H new ATOM 0 HG12 VAL A 49 105.323 5.669 -4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 49 107.020 5.638 -4.921 1.00 0.00 H new ATOM 0 HG21 VAL A 49 108.264 6.354 -2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 49 108.719 7.074 -3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 49 108.227 8.120 -2.419 1.00 0.00 H new ATOM 808 N LYS A 50 104.478 8.150 -5.942 1.00 0.00 N ATOM 809 CA LYS A 50 103.039 8.162 -6.322 1.00 0.00 C ATOM 810 C LYS A 50 102.578 6.735 -6.622 1.00 0.00 C ATOM 811 O LYS A 50 102.815 6.209 -7.691 1.00 0.00 O ATOM 812 CB LYS A 50 102.849 9.032 -7.568 1.00 0.00 C ATOM 813 CG LYS A 50 101.443 9.637 -7.561 1.00 0.00 C ATOM 814 CD LYS A 50 101.063 10.066 -8.981 1.00 0.00 C ATOM 815 CE LYS A 50 100.413 8.890 -9.714 1.00 0.00 C ATOM 816 NZ LYS A 50 98.964 8.828 -9.369 1.00 0.00 N ATOM 0 H LYS A 50 105.133 8.079 -6.721 1.00 0.00 H new ATOM 0 HA LYS A 50 102.449 8.568 -5.500 1.00 0.00 H new ATOM 0 HB2 LYS A 50 103.597 9.825 -7.588 1.00 0.00 H new ATOM 0 HB3 LYS A 50 102.994 8.434 -8.467 1.00 0.00 H new ATOM 0 HG2 LYS A 50 100.724 8.909 -7.185 1.00 0.00 H new ATOM 0 HG3 LYS A 50 101.408 10.495 -6.889 1.00 0.00 H new ATOM 0 HD2 LYS A 50 100.375 10.911 -8.945 1.00 0.00 H new ATOM 0 HD3 LYS A 50 101.949 10.399 -9.521 1.00 0.00 H new ATOM 0 HE2 LYS A 50 100.537 9.006 -10.791 1.00 0.00 H new ATOM 0 HE3 LYS A 50 100.904 7.958 -9.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 98.522 8.029 -9.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 98.857 8.698 -8.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 98.501 9.714 -9.656 1.00 0.00 H new ATOM 830 N GLU A 51 101.917 6.104 -5.690 1.00 0.00 N ATOM 831 CA GLU A 51 101.440 4.715 -5.936 1.00 0.00 C ATOM 832 C GLU A 51 100.316 4.758 -6.970 1.00 0.00 C ATOM 833 O GLU A 51 99.670 5.771 -7.152 1.00 0.00 O ATOM 834 CB GLU A 51 100.922 4.110 -4.626 1.00 0.00 C ATOM 835 CG GLU A 51 100.000 2.927 -4.932 1.00 0.00 C ATOM 836 CD GLU A 51 99.899 2.026 -3.700 1.00 0.00 C ATOM 837 OE1 GLU A 51 98.825 1.962 -3.123 1.00 0.00 O ATOM 838 OE2 GLU A 51 100.897 1.416 -3.353 1.00 0.00 O ATOM 0 H GLU A 51 101.688 6.489 -4.773 1.00 0.00 H new ATOM 0 HA GLU A 51 102.259 4.099 -6.309 1.00 0.00 H new ATOM 0 HB2 GLU A 51 101.759 3.781 -4.010 1.00 0.00 H new ATOM 0 HB3 GLU A 51 100.383 4.865 -4.054 1.00 0.00 H new ATOM 0 HG2 GLU A 51 99.011 3.287 -5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 51 100.387 2.361 -5.779 1.00 0.00 H new ATOM 845 N SER A 52 100.067 3.669 -7.643 1.00 0.00 N ATOM 846 CA SER A 52 98.985 3.657 -8.651 1.00 0.00 C ATOM 847 C SER A 52 98.575 2.219 -8.920 1.00 0.00 C ATOM 848 O SER A 52 99.271 1.459 -9.563 1.00 0.00 O ATOM 849 CB SER A 52 99.481 4.299 -9.947 1.00 0.00 C ATOM 850 OG SER A 52 100.268 5.441 -9.633 1.00 0.00 O ATOM 0 H SER A 52 100.570 2.788 -7.534 1.00 0.00 H new ATOM 0 HA SER A 52 98.130 4.221 -8.278 1.00 0.00 H new ATOM 0 HB2 SER A 52 100.071 3.583 -10.519 1.00 0.00 H new ATOM 0 HB3 SER A 52 98.635 4.586 -10.571 1.00 0.00 H new ATOM 0 HG SER A 52 99.874 5.909 -8.867 1.00 0.00 H new ATOM 856 N SER A 53 97.434 1.856 -8.433 1.00 0.00 N ATOM 857 CA SER A 53 96.921 0.483 -8.641 1.00 0.00 C ATOM 858 C SER A 53 95.434 0.574 -8.984 1.00 0.00 C ATOM 859 O SER A 53 94.723 1.415 -8.469 1.00 0.00 O ATOM 860 CB SER A 53 97.109 -0.335 -7.361 1.00 0.00 C ATOM 861 OG SER A 53 97.595 -1.628 -7.698 1.00 0.00 O ATOM 0 H SER A 53 96.821 2.463 -7.888 1.00 0.00 H new ATOM 0 HA SER A 53 97.463 -0.004 -9.451 1.00 0.00 H new ATOM 0 HB2 SER A 53 97.810 0.167 -6.694 1.00 0.00 H new ATOM 0 HB3 SER A 53 96.163 -0.417 -6.826 1.00 0.00 H new ATOM 0 HG SER A 53 97.590 -2.197 -6.900 1.00 0.00 H new ATOM 867 N ALA A 54 94.952 -0.278 -9.840 1.00 0.00 N ATOM 868 CA ALA A 54 93.509 -0.226 -10.200 1.00 0.00 C ATOM 869 C ALA A 54 92.667 -0.369 -8.930 1.00 0.00 C ATOM 870 O ALA A 54 91.462 -0.512 -8.989 1.00 0.00 O ATOM 871 CB ALA A 54 93.180 -1.367 -11.164 1.00 0.00 C ATOM 0 H ALA A 54 95.492 -1.007 -10.306 1.00 0.00 H new ATOM 0 HA ALA A 54 93.286 0.726 -10.681 1.00 0.00 H new ATOM 0 HB1 ALA A 54 92.123 -1.328 -11.427 1.00 0.00 H new ATOM 0 HB2 ALA A 54 93.782 -1.266 -12.067 1.00 0.00 H new ATOM 0 HB3 ALA A 54 93.400 -2.322 -10.686 1.00 0.00 H new ATOM 877 N PHE A 55 93.294 -0.353 -7.782 1.00 0.00 N ATOM 878 CA PHE A 55 92.532 -0.510 -6.515 1.00 0.00 C ATOM 879 C PHE A 55 92.492 0.806 -5.728 1.00 0.00 C ATOM 880 O PHE A 55 91.593 1.023 -4.942 1.00 0.00 O ATOM 881 CB PHE A 55 93.197 -1.589 -5.657 1.00 0.00 C ATOM 882 CG PHE A 55 92.919 -2.948 -6.254 1.00 0.00 C ATOM 883 CD1 PHE A 55 93.940 -3.648 -6.909 1.00 0.00 C ATOM 884 CD2 PHE A 55 91.640 -3.508 -6.154 1.00 0.00 C ATOM 885 CE1 PHE A 55 93.682 -4.907 -7.461 1.00 0.00 C ATOM 886 CE2 PHE A 55 91.382 -4.768 -6.707 1.00 0.00 C ATOM 887 CZ PHE A 55 92.403 -5.467 -7.361 1.00 0.00 C ATOM 0 H PHE A 55 94.301 -0.238 -7.671 1.00 0.00 H new ATOM 0 HA PHE A 55 91.510 -0.797 -6.761 1.00 0.00 H new ATOM 0 HB2 PHE A 55 94.272 -1.416 -5.604 1.00 0.00 H new ATOM 0 HB3 PHE A 55 92.816 -1.543 -4.637 1.00 0.00 H new ATOM 0 HD1 PHE A 55 94.927 -3.216 -6.988 1.00 0.00 H new ATOM 0 HD2 PHE A 55 90.852 -2.968 -5.650 1.00 0.00 H new ATOM 0 HE1 PHE A 55 94.470 -5.447 -7.965 1.00 0.00 H new ATOM 0 HE2 PHE A 55 90.395 -5.200 -6.629 1.00 0.00 H new ATOM 0 HZ PHE A 55 92.204 -6.439 -7.789 1.00 0.00 H new ATOM 897 N ARG A 56 93.447 1.687 -5.918 1.00 0.00 N ATOM 898 CA ARG A 56 93.431 2.970 -5.158 1.00 0.00 C ATOM 899 C ARG A 56 94.803 3.632 -5.250 1.00 0.00 C ATOM 900 O ARG A 56 95.654 3.448 -4.401 1.00 0.00 O ATOM 901 CB ARG A 56 93.103 2.712 -3.680 1.00 0.00 C ATOM 902 CG ARG A 56 93.924 1.525 -3.155 1.00 0.00 C ATOM 903 CD ARG A 56 93.042 0.642 -2.268 1.00 0.00 C ATOM 904 NE ARG A 56 92.560 1.435 -1.103 1.00 0.00 N ATOM 905 CZ ARG A 56 91.588 0.980 -0.361 1.00 0.00 C ATOM 906 NH1 ARG A 56 91.165 1.675 0.659 1.00 0.00 N ATOM 907 NH2 ARG A 56 91.040 -0.172 -0.637 1.00 0.00 N ATOM 0 H ARG A 56 94.229 1.571 -6.562 1.00 0.00 H new ATOM 0 HA ARG A 56 92.669 3.621 -5.587 1.00 0.00 H new ATOM 0 HB2 ARG A 56 93.320 3.603 -3.091 1.00 0.00 H new ATOM 0 HB3 ARG A 56 92.039 2.506 -3.566 1.00 0.00 H new ATOM 0 HG2 ARG A 56 94.316 0.943 -3.990 1.00 0.00 H new ATOM 0 HG3 ARG A 56 94.782 1.886 -2.588 1.00 0.00 H new ATOM 0 HD2 ARG A 56 92.195 0.264 -2.840 1.00 0.00 H new ATOM 0 HD3 ARG A 56 93.606 -0.225 -1.924 1.00 0.00 H new ATOM 0 HE ARG A 56 92.990 2.334 -0.885 1.00 0.00 H new ATOM 0 HH11 ARG A 56 91.594 2.574 0.877 1.00 0.00 H new ATOM 0 HH12 ARG A 56 90.405 1.319 1.239 1.00 0.00 H new ATOM 0 HH21 ARG A 56 91.372 -0.717 -1.433 1.00 0.00 H new ATOM 0 HH22 ARG A 56 90.280 -0.527 -0.057 1.00 0.00 H new ATOM 921 N ASN A 57 95.025 4.403 -6.272 1.00 0.00 N ATOM 922 CA ASN A 57 96.343 5.082 -6.420 1.00 0.00 C ATOM 923 C ASN A 57 96.555 6.037 -5.243 1.00 0.00 C ATOM 924 O ASN A 57 95.621 6.611 -4.720 1.00 0.00 O ATOM 925 CB ASN A 57 96.364 5.877 -7.728 1.00 0.00 C ATOM 926 CG ASN A 57 95.331 7.003 -7.657 1.00 0.00 C ATOM 927 OD1 ASN A 57 94.478 7.008 -6.792 1.00 0.00 O ATOM 928 ND2 ASN A 57 95.371 7.965 -8.539 1.00 0.00 N ATOM 0 H ASN A 57 94.352 4.595 -7.014 1.00 0.00 H new ATOM 0 HA ASN A 57 97.138 4.336 -6.435 1.00 0.00 H new ATOM 0 HB2 ASN A 57 97.358 6.291 -7.898 1.00 0.00 H new ATOM 0 HB3 ASN A 57 96.144 5.220 -8.569 1.00 0.00 H new ATOM 0 HD21 ASN A 57 94.686 8.720 -8.501 1.00 0.00 H new ATOM 0 HD22 ASN A 57 96.087 7.961 -9.265 1.00 0.00 H new ATOM 935 N ILE A 58 97.777 6.198 -4.807 1.00 0.00 N ATOM 936 CA ILE A 58 98.045 7.096 -3.653 1.00 0.00 C ATOM 937 C ILE A 58 99.329 7.886 -3.881 1.00 0.00 C ATOM 938 O ILE A 58 100.053 7.676 -4.834 1.00 0.00 O ATOM 939 CB ILE A 58 98.210 6.273 -2.385 1.00 0.00 C ATOM 940 CG1 ILE A 58 97.294 5.055 -2.436 1.00 0.00 C ATOM 941 CG2 ILE A 58 97.853 7.129 -1.163 1.00 0.00 C ATOM 942 CD1 ILE A 58 97.206 4.455 -1.038 1.00 0.00 C ATOM 0 H ILE A 58 98.600 5.744 -5.203 1.00 0.00 H new ATOM 0 HA ILE A 58 97.203 7.781 -3.553 1.00 0.00 H new ATOM 0 HB ILE A 58 99.246 5.943 -2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 58 96.303 5.341 -2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 58 97.682 4.319 -3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 58 97.972 6.536 -0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 58 98.513 7.995 -1.120 1.00 0.00 H new ATOM 0 HG23 ILE A 58 96.819 7.465 -1.244 1.00 0.00 H new ATOM 0 HD11 ILE A 58 96.554 3.582 -1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 58 98.201 4.158 -0.706 1.00 0.00 H new ATOM 0 HD13 ILE A 58 96.800 5.196 -0.349 1.00 0.00 H new ATOM 954 N GLU A 59 99.610 8.789 -2.989 1.00 0.00 N ATOM 955 CA GLU A 59 100.847 9.613 -3.106 1.00 0.00 C ATOM 956 C GLU A 59 101.377 9.921 -1.705 1.00 0.00 C ATOM 957 O GLU A 59 100.620 10.139 -0.780 1.00 0.00 O ATOM 958 CB GLU A 59 100.529 10.919 -3.840 1.00 0.00 C ATOM 959 CG GLU A 59 99.928 11.929 -2.859 1.00 0.00 C ATOM 960 CD GLU A 59 99.145 12.991 -3.633 1.00 0.00 C ATOM 961 OE1 GLU A 59 98.391 12.615 -4.515 1.00 0.00 O ATOM 962 OE2 GLU A 59 99.315 14.160 -3.330 1.00 0.00 O ATOM 0 H GLU A 59 99.032 8.996 -2.175 1.00 0.00 H new ATOM 0 HA GLU A 59 101.602 9.065 -3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 59 101.436 11.327 -4.287 1.00 0.00 H new ATOM 0 HB3 GLU A 59 99.830 10.729 -4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 59 99.271 11.420 -2.154 1.00 0.00 H new ATOM 0 HG3 GLU A 59 100.719 12.399 -2.275 1.00 0.00 H new ATOM 969 N CYS A 60 102.670 9.934 -1.538 1.00 0.00 N ATOM 970 CA CYS A 60 103.237 10.221 -0.190 1.00 0.00 C ATOM 971 C CYS A 60 104.614 10.873 -0.327 1.00 0.00 C ATOM 972 O CYS A 60 105.505 10.338 -0.956 1.00 0.00 O ATOM 973 CB CYS A 60 103.379 8.913 0.590 1.00 0.00 C ATOM 974 SG CYS A 60 101.741 8.276 1.019 1.00 0.00 S ATOM 0 H CYS A 60 103.356 9.759 -2.272 1.00 0.00 H new ATOM 0 HA CYS A 60 102.568 10.900 0.339 1.00 0.00 H new ATOM 0 HB2 CYS A 60 103.920 8.179 -0.008 1.00 0.00 H new ATOM 0 HB3 CYS A 60 103.963 9.080 1.495 1.00 0.00 H new ATOM 980 N VAL A 61 104.797 12.018 0.271 1.00 0.00 N ATOM 981 CA VAL A 61 106.120 12.695 0.192 1.00 0.00 C ATOM 982 C VAL A 61 107.011 12.156 1.310 1.00 0.00 C ATOM 983 O VAL A 61 106.531 11.758 2.354 1.00 0.00 O ATOM 984 CB VAL A 61 105.933 14.205 0.362 1.00 0.00 C ATOM 985 CG1 VAL A 61 106.991 14.948 -0.458 1.00 0.00 C ATOM 986 CG2 VAL A 61 104.540 14.604 -0.127 1.00 0.00 C ATOM 0 H VAL A 61 104.087 12.513 0.811 1.00 0.00 H new ATOM 0 HA VAL A 61 106.582 12.502 -0.776 1.00 0.00 H new ATOM 0 HB VAL A 61 106.039 14.467 1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 61 106.857 16.023 -0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 61 107.985 14.665 -0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 61 106.885 14.686 -1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 61 104.406 15.679 -0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 61 104.435 14.341 -1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 61 103.785 14.077 0.456 1.00 0.00 H new ATOM 996 N PHE A 62 108.301 12.128 1.111 1.00 0.00 N ATOM 997 CA PHE A 62 109.196 11.601 2.179 1.00 0.00 C ATOM 998 C PHE A 62 110.421 12.503 2.342 1.00 0.00 C ATOM 999 O PHE A 62 111.086 12.851 1.386 1.00 0.00 O ATOM 1000 CB PHE A 62 109.651 10.185 1.814 1.00 0.00 C ATOM 1001 CG PHE A 62 108.450 9.274 1.718 1.00 0.00 C ATOM 1002 CD1 PHE A 62 107.601 9.110 2.820 1.00 0.00 C ATOM 1003 CD2 PHE A 62 108.187 8.590 0.525 1.00 0.00 C ATOM 1004 CE1 PHE A 62 106.490 8.264 2.728 1.00 0.00 C ATOM 1005 CE2 PHE A 62 107.077 7.744 0.434 1.00 0.00 C ATOM 1006 CZ PHE A 62 106.227 7.581 1.535 1.00 0.00 C ATOM 0 H PHE A 62 108.770 12.444 0.262 1.00 0.00 H new ATOM 0 HA PHE A 62 108.645 11.580 3.119 1.00 0.00 H new ATOM 0 HB2 PHE A 62 110.187 10.198 0.865 1.00 0.00 H new ATOM 0 HB3 PHE A 62 110.345 9.810 2.566 1.00 0.00 H new ATOM 0 HD1 PHE A 62 107.804 9.637 3.741 1.00 0.00 H new ATOM 0 HD2 PHE A 62 108.841 8.716 -0.325 1.00 0.00 H new ATOM 0 HE1 PHE A 62 105.835 8.138 3.578 1.00 0.00 H new ATOM 0 HE2 PHE A 62 106.875 7.216 -0.486 1.00 0.00 H new ATOM 0 HZ PHE A 62 105.369 6.929 1.464 1.00 0.00 H new ATOM 1016 N GLU A 63 110.725 12.872 3.557 1.00 0.00 N ATOM 1017 CA GLU A 63 111.909 13.740 3.813 1.00 0.00 C ATOM 1018 C GLU A 63 112.863 13.002 4.758 1.00 0.00 C ATOM 1019 O GLU A 63 112.528 11.971 5.306 1.00 0.00 O ATOM 1020 CB GLU A 63 111.452 15.050 4.462 1.00 0.00 C ATOM 1021 CG GLU A 63 112.384 16.186 4.039 1.00 0.00 C ATOM 1022 CD GLU A 63 112.328 17.307 5.078 1.00 0.00 C ATOM 1023 OE1 GLU A 63 111.266 17.511 5.643 1.00 0.00 O ATOM 1024 OE2 GLU A 63 113.348 17.943 5.290 1.00 0.00 O ATOM 0 H GLU A 63 110.199 12.607 4.390 1.00 0.00 H new ATOM 0 HA GLU A 63 112.417 13.965 2.875 1.00 0.00 H new ATOM 0 HB2 GLU A 63 110.428 15.277 4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 63 111.454 14.950 5.547 1.00 0.00 H new ATOM 0 HG2 GLU A 63 113.405 15.816 3.943 1.00 0.00 H new ATOM 0 HG3 GLU A 63 112.089 16.567 3.061 1.00 0.00 H new ATOM 1031 N LEU A 64 114.050 13.510 4.947 1.00 0.00 N ATOM 1032 CA LEU A 64 115.016 12.824 5.848 1.00 0.00 C ATOM 1033 C LEU A 64 115.103 13.556 7.192 1.00 0.00 C ATOM 1034 O LEU A 64 115.489 14.706 7.258 1.00 0.00 O ATOM 1035 CB LEU A 64 116.398 12.807 5.191 1.00 0.00 C ATOM 1036 CG LEU A 64 116.290 12.200 3.792 1.00 0.00 C ATOM 1037 CD1 LEU A 64 117.684 12.102 3.169 1.00 0.00 C ATOM 1038 CD2 LEU A 64 115.677 10.801 3.890 1.00 0.00 C ATOM 0 H LEU A 64 114.391 14.369 4.517 1.00 0.00 H new ATOM 0 HA LEU A 64 114.674 11.804 6.022 1.00 0.00 H new ATOM 0 HB2 LEU A 64 116.796 13.820 5.130 1.00 0.00 H new ATOM 0 HB3 LEU A 64 117.094 12.227 5.798 1.00 0.00 H new ATOM 0 HG LEU A 64 115.657 12.833 3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 64 117.607 11.669 2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 64 118.122 13.098 3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 64 118.317 11.469 3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 64 115.599 10.367 2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 64 116.310 10.169 4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 64 114.684 10.869 4.334 1.00 0.00 H new ATOM 1050 N GLY A 65 114.764 12.892 8.266 1.00 0.00 N ATOM 1051 CA GLY A 65 114.848 13.548 9.604 1.00 0.00 C ATOM 1052 C GLY A 65 113.535 14.264 9.933 1.00 0.00 C ATOM 1053 O GLY A 65 113.502 15.173 10.740 1.00 0.00 O ATOM 0 H GLY A 65 114.434 11.927 8.275 1.00 0.00 H new ATOM 0 HA2 GLY A 65 115.064 12.802 10.369 1.00 0.00 H new ATOM 0 HA3 GLY A 65 115.671 14.262 9.614 1.00 0.00 H new ATOM 1057 N VAL A 66 112.451 13.865 9.327 1.00 0.00 N ATOM 1058 CA VAL A 66 111.150 14.526 9.619 1.00 0.00 C ATOM 1059 C VAL A 66 110.033 13.483 9.591 1.00 0.00 C ATOM 1060 O VAL A 66 109.634 13.019 8.543 1.00 0.00 O ATOM 1061 CB VAL A 66 110.875 15.598 8.564 1.00 0.00 C ATOM 1062 CG1 VAL A 66 109.696 16.464 9.010 1.00 0.00 C ATOM 1063 CG2 VAL A 66 112.117 16.478 8.394 1.00 0.00 C ATOM 0 H VAL A 66 112.411 13.110 8.642 1.00 0.00 H new ATOM 0 HA VAL A 66 111.190 14.990 10.605 1.00 0.00 H new ATOM 0 HB VAL A 66 110.635 15.119 7.615 1.00 0.00 H new ATOM 0 HG11 VAL A 66 109.501 17.228 8.258 1.00 0.00 H new ATOM 0 HG12 VAL A 66 108.811 15.839 9.131 1.00 0.00 H new ATOM 0 HG13 VAL A 66 109.935 16.943 9.960 1.00 0.00 H new ATOM 0 HG21 VAL A 66 111.921 17.242 7.642 1.00 0.00 H new ATOM 0 HG22 VAL A 66 112.357 16.956 9.344 1.00 0.00 H new ATOM 0 HG23 VAL A 66 112.958 15.862 8.075 1.00 0.00 H new ATOM 1073 N THR A 67 109.526 13.105 10.733 1.00 0.00 N ATOM 1074 CA THR A 67 108.440 12.088 10.764 1.00 0.00 C ATOM 1075 C THR A 67 107.259 12.564 9.933 1.00 0.00 C ATOM 1076 O THR A 67 106.898 13.724 9.932 1.00 0.00 O ATOM 1077 CB THR A 67 107.979 11.870 12.203 1.00 0.00 C ATOM 1078 OG1 THR A 67 109.066 12.090 13.090 1.00 0.00 O ATOM 1079 CG2 THR A 67 107.458 10.439 12.370 1.00 0.00 C ATOM 0 H THR A 67 109.818 13.457 11.645 1.00 0.00 H new ATOM 0 HA THR A 67 108.822 11.153 10.353 1.00 0.00 H new ATOM 0 HB THR A 67 107.177 12.572 12.433 1.00 0.00 H new ATOM 0 HG1 THR A 67 108.768 11.951 14.013 1.00 0.00 H new ATOM 0 HG21 THR A 67 107.130 10.289 13.399 1.00 0.00 H new ATOM 0 HG22 THR A 67 106.618 10.276 11.694 1.00 0.00 H new ATOM 0 HG23 THR A 67 108.254 9.732 12.136 1.00 0.00 H new ATOM 1087 N PHE A 68 106.642 11.654 9.254 1.00 0.00 N ATOM 1088 CA PHE A 68 105.454 11.992 8.430 1.00 0.00 C ATOM 1089 C PHE A 68 104.552 10.768 8.403 1.00 0.00 C ATOM 1090 O PHE A 68 104.779 9.817 9.121 1.00 0.00 O ATOM 1091 CB PHE A 68 105.863 12.376 7.005 1.00 0.00 C ATOM 1092 CG PHE A 68 107.178 11.731 6.652 1.00 0.00 C ATOM 1093 CD1 PHE A 68 107.259 10.343 6.498 1.00 0.00 C ATOM 1094 CD2 PHE A 68 108.315 12.525 6.470 1.00 0.00 C ATOM 1095 CE1 PHE A 68 108.482 9.748 6.161 1.00 0.00 C ATOM 1096 CE2 PHE A 68 109.536 11.931 6.136 1.00 0.00 C ATOM 1097 CZ PHE A 68 109.618 10.544 5.981 1.00 0.00 C ATOM 0 H PHE A 68 106.912 10.671 9.232 1.00 0.00 H new ATOM 0 HA PHE A 68 104.935 12.848 8.861 1.00 0.00 H new ATOM 0 HB2 PHE A 68 105.094 12.061 6.300 1.00 0.00 H new ATOM 0 HB3 PHE A 68 105.947 13.460 6.922 1.00 0.00 H new ATOM 0 HD1 PHE A 68 106.380 9.731 6.639 1.00 0.00 H new ATOM 0 HD2 PHE A 68 108.250 13.597 6.587 1.00 0.00 H new ATOM 0 HE1 PHE A 68 108.547 8.677 6.040 1.00 0.00 H new ATOM 0 HE2 PHE A 68 110.415 12.543 5.998 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.561 10.086 5.722 1.00 0.00 H new ATOM 1107 N ASN A 69 103.529 10.772 7.599 1.00 0.00 N ATOM 1108 CA ASN A 69 102.634 9.588 7.572 1.00 0.00 C ATOM 1109 C ASN A 69 102.219 9.259 6.140 1.00 0.00 C ATOM 1110 O ASN A 69 102.174 10.110 5.273 1.00 0.00 O ATOM 1111 CB ASN A 69 101.387 9.875 8.414 1.00 0.00 C ATOM 1112 CG ASN A 69 101.705 10.959 9.445 1.00 0.00 C ATOM 1113 OD1 ASN A 69 102.673 10.857 10.172 1.00 0.00 O ATOM 1114 ND2 ASN A 69 100.925 12.001 9.541 1.00 0.00 N ATOM 0 H ASN A 69 103.277 11.533 6.968 1.00 0.00 H new ATOM 0 HA ASN A 69 103.171 8.733 7.983 1.00 0.00 H new ATOM 0 HB2 ASN A 69 100.568 10.199 7.771 1.00 0.00 H new ATOM 0 HB3 ASN A 69 101.058 8.966 8.917 1.00 0.00 H new ATOM 0 HD21 ASN A 69 101.128 12.729 10.226 1.00 0.00 H new ATOM 0 HD22 ASN A 69 100.112 12.087 8.931 1.00 0.00 H new ATOM 1121 N CYS A 70 101.900 8.019 5.901 1.00 0.00 N ATOM 1122 CA CYS A 70 101.465 7.591 4.547 1.00 0.00 C ATOM 1123 C CYS A 70 100.569 6.368 4.710 1.00 0.00 C ATOM 1124 O CYS A 70 100.865 5.476 5.480 1.00 0.00 O ATOM 1125 CB CYS A 70 102.682 7.229 3.696 1.00 0.00 C ATOM 1126 SG CYS A 70 102.128 6.608 2.088 1.00 0.00 S ATOM 0 H CYS A 70 101.923 7.274 6.598 1.00 0.00 H new ATOM 0 HA CYS A 70 100.926 8.398 4.051 1.00 0.00 H new ATOM 0 HB2 CYS A 70 103.318 8.104 3.561 1.00 0.00 H new ATOM 0 HB3 CYS A 70 103.282 6.473 4.203 1.00 0.00 H new ATOM 1132 N ASN A 71 99.468 6.317 4.019 1.00 0.00 N ATOM 1133 CA ASN A 71 98.564 5.147 4.178 1.00 0.00 C ATOM 1134 C ASN A 71 98.876 4.091 3.120 1.00 0.00 C ATOM 1135 O ASN A 71 99.195 4.400 1.989 1.00 0.00 O ATOM 1136 CB ASN A 71 97.110 5.600 4.038 1.00 0.00 C ATOM 1137 CG ASN A 71 97.002 6.632 2.914 1.00 0.00 C ATOM 1138 OD1 ASN A 71 97.508 6.421 1.829 1.00 0.00 O ATOM 1139 ND2 ASN A 71 96.360 7.747 3.128 1.00 0.00 N ATOM 0 H ASN A 71 99.156 7.027 3.357 1.00 0.00 H new ATOM 0 HA ASN A 71 98.718 4.713 5.166 1.00 0.00 H new ATOM 0 HB2 ASN A 71 96.471 4.744 3.823 1.00 0.00 H new ATOM 0 HB3 ASN A 71 96.760 6.031 4.976 1.00 0.00 H new ATOM 0 HD21 ASN A 71 96.283 8.442 2.385 1.00 0.00 H new ATOM 0 HD22 ASN A 71 95.935 7.924 4.038 1.00 0.00 H new ATOM 1146 N LEU A 72 98.780 2.840 3.482 1.00 0.00 N ATOM 1147 CA LEU A 72 99.064 1.754 2.502 1.00 0.00 C ATOM 1148 C LEU A 72 97.761 1.334 1.820 1.00 0.00 C ATOM 1149 O LEU A 72 96.700 1.358 2.415 1.00 0.00 O ATOM 1150 CB LEU A 72 99.669 0.551 3.230 1.00 0.00 C ATOM 1151 CG LEU A 72 101.133 0.836 3.569 1.00 0.00 C ATOM 1152 CD1 LEU A 72 101.553 -0.012 4.771 1.00 0.00 C ATOM 1153 CD2 LEU A 72 102.014 0.482 2.367 1.00 0.00 C ATOM 0 H LEU A 72 98.517 2.524 4.415 1.00 0.00 H new ATOM 0 HA LEU A 72 99.769 2.115 1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 72 99.108 0.346 4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 72 99.597 -0.339 2.604 1.00 0.00 H new ATOM 0 HG LEU A 72 101.250 1.893 3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 72 102.596 0.191 5.013 1.00 0.00 H new ATOM 0 HD12 LEU A 72 100.927 0.236 5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 72 101.435 -1.068 4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 72 103.057 0.685 2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 72 101.896 -0.575 2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 72 101.717 1.084 1.508 1.00 0.00 H new ATOM 1165 N ALA A 73 97.836 0.946 0.575 1.00 0.00 N ATOM 1166 CA ALA A 73 96.608 0.522 -0.158 1.00 0.00 C ATOM 1167 C ALA A 73 95.742 -0.356 0.746 1.00 0.00 C ATOM 1168 O ALA A 73 94.529 -0.317 0.686 1.00 0.00 O ATOM 1169 CB ALA A 73 97.008 -0.268 -1.405 1.00 0.00 C ATOM 0 H ALA A 73 98.699 0.904 0.032 1.00 0.00 H new ATOM 0 HA ALA A 73 96.040 1.405 -0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 73 96.112 -0.579 -1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 73 97.620 0.360 -2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 73 97.578 -1.149 -1.110 1.00 0.00 H new ATOM 1175 N ASP A 74 96.352 -1.149 1.583 1.00 0.00 N ATOM 1176 CA ASP A 74 95.558 -2.026 2.487 1.00 0.00 C ATOM 1177 C ASP A 74 94.668 -1.162 3.384 1.00 0.00 C ATOM 1178 O ASP A 74 94.044 -1.648 4.307 1.00 0.00 O ATOM 1179 CB ASP A 74 96.505 -2.858 3.354 1.00 0.00 C ATOM 1180 CG ASP A 74 95.733 -4.017 3.986 1.00 0.00 C ATOM 1181 OD1 ASP A 74 95.666 -5.066 3.367 1.00 0.00 O ATOM 1182 OD2 ASP A 74 95.222 -3.836 5.079 1.00 0.00 O ATOM 0 H ASP A 74 97.364 -1.227 1.680 1.00 0.00 H new ATOM 0 HA ASP A 74 94.934 -2.692 1.891 1.00 0.00 H new ATOM 0 HB2 ASP A 74 97.327 -3.241 2.749 1.00 0.00 H new ATOM 0 HB3 ASP A 74 96.946 -2.234 4.131 1.00 0.00 H new ATOM 1187 N GLY A 75 94.603 0.115 3.121 1.00 0.00 N ATOM 1188 CA GLY A 75 93.754 1.008 3.960 1.00 0.00 C ATOM 1189 C GLY A 75 94.413 1.200 5.324 1.00 0.00 C ATOM 1190 O GLY A 75 93.754 1.446 6.315 1.00 0.00 O ATOM 0 H GLY A 75 95.101 0.578 2.361 1.00 0.00 H new ATOM 0 HA2 GLY A 75 93.624 1.972 3.468 1.00 0.00 H new ATOM 0 HA3 GLY A 75 92.761 0.575 4.081 1.00 0.00 H new ATOM 1194 N THR A 76 95.711 1.087 5.387 1.00 0.00 N ATOM 1195 CA THR A 76 96.415 1.259 6.681 1.00 0.00 C ATOM 1196 C THR A 76 97.011 2.663 6.758 1.00 0.00 C ATOM 1197 O THR A 76 97.172 3.337 5.762 1.00 0.00 O ATOM 1198 CB THR A 76 97.537 0.233 6.801 1.00 0.00 C ATOM 1199 OG1 THR A 76 97.317 -0.821 5.874 1.00 0.00 O ATOM 1200 CG2 THR A 76 97.580 -0.330 8.223 1.00 0.00 C ATOM 0 H THR A 76 96.315 0.882 4.591 1.00 0.00 H new ATOM 0 HA THR A 76 95.703 1.116 7.494 1.00 0.00 H new ATOM 0 HB THR A 76 98.489 0.716 6.582 1.00 0.00 H new ATOM 0 HG1 THR A 76 98.039 -1.479 5.950 1.00 0.00 H new ATOM 0 HG21 THR A 76 98.384 -1.062 8.300 1.00 0.00 H new ATOM 0 HG22 THR A 76 97.758 0.480 8.930 1.00 0.00 H new ATOM 0 HG23 THR A 76 96.629 -0.810 8.453 1.00 0.00 H new ATOM 1208 N GLU A 77 97.343 3.097 7.937 1.00 0.00 N ATOM 1209 CA GLU A 77 97.940 4.449 8.108 1.00 0.00 C ATOM 1210 C GLU A 77 99.171 4.337 9.009 1.00 0.00 C ATOM 1211 O GLU A 77 99.080 3.896 10.137 1.00 0.00 O ATOM 1212 CB GLU A 77 96.915 5.383 8.752 1.00 0.00 C ATOM 1213 CG GLU A 77 97.412 6.825 8.651 1.00 0.00 C ATOM 1214 CD GLU A 77 96.338 7.775 9.185 1.00 0.00 C ATOM 1215 OE1 GLU A 77 96.536 8.975 9.086 1.00 0.00 O ATOM 1216 OE2 GLU A 77 95.337 7.287 9.683 1.00 0.00 O ATOM 0 H GLU A 77 97.225 2.568 8.801 1.00 0.00 H new ATOM 0 HA GLU A 77 98.229 4.851 7.137 1.00 0.00 H new ATOM 0 HB2 GLU A 77 95.951 5.283 8.253 1.00 0.00 H new ATOM 0 HB3 GLU A 77 96.764 5.111 9.797 1.00 0.00 H new ATOM 0 HG2 GLU A 77 98.333 6.944 9.221 1.00 0.00 H new ATOM 0 HG3 GLU A 77 97.645 7.069 7.614 1.00 0.00 H new ATOM 1223 N LEU A 78 100.327 4.716 8.526 1.00 0.00 N ATOM 1224 CA LEU A 78 101.553 4.603 9.378 1.00 0.00 C ATOM 1225 C LEU A 78 102.371 5.897 9.319 1.00 0.00 C ATOM 1226 O LEU A 78 102.207 6.712 8.434 1.00 0.00 O ATOM 1227 CB LEU A 78 102.416 3.441 8.882 1.00 0.00 C ATOM 1228 CG LEU A 78 101.517 2.314 8.366 1.00 0.00 C ATOM 1229 CD1 LEU A 78 101.205 2.548 6.888 1.00 0.00 C ATOM 1230 CD2 LEU A 78 102.235 0.971 8.528 1.00 0.00 C ATOM 0 H LEU A 78 100.476 5.094 7.591 1.00 0.00 H new ATOM 0 HA LEU A 78 101.244 4.425 10.408 1.00 0.00 H new ATOM 0 HB2 LEU A 78 103.080 3.782 8.088 1.00 0.00 H new ATOM 0 HB3 LEU A 78 103.048 3.074 9.691 1.00 0.00 H new ATOM 0 HG LEU A 78 100.589 2.301 8.937 1.00 0.00 H new ATOM 0 HD11 LEU A 78 100.565 1.746 6.520 1.00 0.00 H new ATOM 0 HD12 LEU A 78 100.693 3.503 6.771 1.00 0.00 H new ATOM 0 HD13 LEU A 78 102.134 2.562 6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 78 101.594 0.169 8.161 1.00 0.00 H new ATOM 0 HD22 LEU A 78 103.164 0.984 7.958 1.00 0.00 H new ATOM 0 HD23 LEU A 78 102.459 0.803 9.581 1.00 0.00 H new ATOM 1242 N ARG A 79 103.256 6.083 10.266 1.00 0.00 N ATOM 1243 CA ARG A 79 104.097 7.319 10.279 1.00 0.00 C ATOM 1244 C ARG A 79 105.487 7.003 10.837 1.00 0.00 C ATOM 1245 O ARG A 79 105.642 6.158 11.697 1.00 0.00 O ATOM 1246 CB ARG A 79 103.428 8.379 11.158 1.00 0.00 C ATOM 1247 CG ARG A 79 103.318 7.858 12.592 1.00 0.00 C ATOM 1248 CD ARG A 79 102.519 8.854 13.436 1.00 0.00 C ATOM 1249 NE ARG A 79 102.353 8.315 14.815 1.00 0.00 N ATOM 1250 CZ ARG A 79 102.141 9.128 15.813 1.00 0.00 C ATOM 1251 NH1 ARG A 79 101.996 8.657 17.021 1.00 0.00 N ATOM 1252 NH2 ARG A 79 102.075 10.415 15.602 1.00 0.00 N ATOM 0 H ARG A 79 103.433 5.432 11.031 1.00 0.00 H new ATOM 0 HA ARG A 79 104.197 7.692 9.260 1.00 0.00 H new ATOM 0 HB2 ARG A 79 104.008 9.302 11.139 1.00 0.00 H new ATOM 0 HB3 ARG A 79 102.438 8.617 10.769 1.00 0.00 H new ATOM 0 HG2 ARG A 79 102.829 6.884 12.600 1.00 0.00 H new ATOM 0 HG3 ARG A 79 104.312 7.719 13.017 1.00 0.00 H new ATOM 0 HD2 ARG A 79 103.034 9.814 13.469 1.00 0.00 H new ATOM 0 HD3 ARG A 79 101.543 9.031 12.983 1.00 0.00 H new ATOM 0 HE ARG A 79 102.405 7.310 14.979 1.00 0.00 H new ATOM 0 HH11 ARG A 79 102.048 7.652 17.186 1.00 0.00 H new ATOM 0 HH12 ARG A 79 101.830 9.294 17.800 1.00 0.00 H new ATOM 0 HH21 ARG A 79 102.189 10.784 14.658 1.00 0.00 H new ATOM 0 HH22 ARG A 79 101.909 11.052 16.381 1.00 0.00 H new ATOM 1266 N GLY A 80 106.503 7.674 10.352 1.00 0.00 N ATOM 1267 CA GLY A 80 107.870 7.416 10.847 1.00 0.00 C ATOM 1268 C GLY A 80 108.844 8.180 9.960 1.00 0.00 C ATOM 1269 O GLY A 80 108.772 9.384 9.847 1.00 0.00 O ATOM 0 H GLY A 80 106.433 8.391 9.630 1.00 0.00 H new ATOM 0 HA2 GLY A 80 107.967 7.737 11.884 1.00 0.00 H new ATOM 0 HA3 GLY A 80 108.089 6.349 10.822 1.00 0.00 H new ATOM 1273 N THR A 81 109.734 7.493 9.309 1.00 0.00 N ATOM 1274 CA THR A 81 110.702 8.202 8.416 1.00 0.00 C ATOM 1275 C THR A 81 111.761 7.233 7.892 1.00 0.00 C ATOM 1276 O THR A 81 112.042 6.214 8.489 1.00 0.00 O ATOM 1277 CB THR A 81 111.405 9.323 9.197 1.00 0.00 C ATOM 1278 OG1 THR A 81 111.001 9.279 10.559 1.00 0.00 O ATOM 1279 CG2 THR A 81 111.043 10.682 8.601 1.00 0.00 C ATOM 0 H THR A 81 109.838 6.479 9.351 1.00 0.00 H new ATOM 0 HA THR A 81 110.147 8.619 7.576 1.00 0.00 H new ATOM 0 HB THR A 81 112.484 9.181 9.131 1.00 0.00 H new ATOM 0 HG1 THR A 81 110.192 9.819 10.678 1.00 0.00 H new ATOM 0 HG21 THR A 81 111.546 11.470 9.161 1.00 0.00 H new ATOM 0 HG22 THR A 81 111.360 10.718 7.559 1.00 0.00 H new ATOM 0 HG23 THR A 81 109.964 10.828 8.657 1.00 0.00 H new ATOM 1287 N TRP A 82 112.365 7.566 6.783 1.00 0.00 N ATOM 1288 CA TRP A 82 113.430 6.688 6.216 1.00 0.00 C ATOM 1289 C TRP A 82 114.795 7.299 6.521 1.00 0.00 C ATOM 1290 O TRP A 82 114.960 8.503 6.506 1.00 0.00 O ATOM 1291 CB TRP A 82 113.265 6.573 4.698 1.00 0.00 C ATOM 1292 CG TRP A 82 111.820 6.437 4.356 1.00 0.00 C ATOM 1293 CD1 TRP A 82 110.928 7.449 4.362 1.00 0.00 C ATOM 1294 CD2 TRP A 82 111.087 5.246 3.951 1.00 0.00 C ATOM 1295 NE1 TRP A 82 109.690 6.960 3.997 1.00 0.00 N ATOM 1296 CE2 TRP A 82 109.736 5.603 3.730 1.00 0.00 C ATOM 1297 CE3 TRP A 82 111.459 3.904 3.759 1.00 0.00 C ATOM 1298 CZ2 TRP A 82 108.787 4.661 3.332 1.00 0.00 C ATOM 1299 CZ3 TRP A 82 110.508 2.952 3.357 1.00 0.00 C ATOM 1300 CH2 TRP A 82 109.174 3.330 3.143 1.00 0.00 C ATOM 0 H TRP A 82 112.167 8.409 6.244 1.00 0.00 H new ATOM 0 HA TRP A 82 113.351 5.697 6.662 1.00 0.00 H new ATOM 0 HB2 TRP A 82 113.682 7.454 4.210 1.00 0.00 H new ATOM 0 HB3 TRP A 82 113.819 5.710 4.327 1.00 0.00 H new ATOM 0 HD1 TRP A 82 111.147 8.476 4.612 1.00 0.00 H new ATOM 0 HE1 TRP A 82 108.846 7.529 3.932 1.00 0.00 H new ATOM 0 HE3 TRP A 82 112.483 3.603 3.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 107.761 4.957 3.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 110.805 1.924 3.212 1.00 0.00 H new ATOM 0 HH2 TRP A 82 108.447 2.594 2.833 1.00 0.00 H new ATOM 1311 N SER A 83 115.780 6.488 6.796 1.00 0.00 N ATOM 1312 CA SER A 83 117.129 7.052 7.095 1.00 0.00 C ATOM 1313 C SER A 83 118.202 6.155 6.485 1.00 0.00 C ATOM 1314 O SER A 83 118.275 4.985 6.765 1.00 0.00 O ATOM 1315 CB SER A 83 117.326 7.125 8.610 1.00 0.00 C ATOM 1316 OG SER A 83 116.084 7.430 9.231 1.00 0.00 O ATOM 0 H SER A 83 115.712 5.471 6.827 1.00 0.00 H new ATOM 0 HA SER A 83 117.207 8.052 6.670 1.00 0.00 H new ATOM 0 HB2 SER A 83 117.710 6.176 8.985 1.00 0.00 H new ATOM 0 HB3 SER A 83 118.066 7.887 8.856 1.00 0.00 H new ATOM 0 HG SER A 83 116.206 7.476 10.202 1.00 0.00 H new ATOM 1322 N LEU A 84 119.037 6.671 5.640 1.00 0.00 N ATOM 1323 CA LEU A 84 120.065 5.795 5.040 1.00 0.00 C ATOM 1324 C LEU A 84 120.981 5.251 6.129 1.00 0.00 C ATOM 1325 O LEU A 84 121.663 5.983 6.819 1.00 0.00 O ATOM 1326 CB LEU A 84 120.884 6.583 4.013 1.00 0.00 C ATOM 1327 CG LEU A 84 120.690 5.958 2.631 1.00 0.00 C ATOM 1328 CD1 LEU A 84 120.539 7.059 1.579 1.00 0.00 C ATOM 1329 CD2 LEU A 84 121.900 5.085 2.286 1.00 0.00 C ATOM 0 H LEU A 84 119.053 7.646 5.342 1.00 0.00 H new ATOM 0 HA LEU A 84 119.575 4.960 4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 84 120.568 7.626 4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 84 121.939 6.572 4.286 1.00 0.00 H new ATOM 0 HG LEU A 84 119.790 5.344 2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 84 120.401 6.607 0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 84 119.673 7.676 1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 84 121.435 7.679 1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 84 121.759 4.641 1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 84 122.801 5.698 2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 84 122.002 4.294 3.029 1.00 0.00 H new ATOM 1341 N GLU A 85 121.002 3.958 6.271 1.00 0.00 N ATOM 1342 CA GLU A 85 121.868 3.321 7.290 1.00 0.00 C ATOM 1343 C GLU A 85 122.959 2.547 6.556 1.00 0.00 C ATOM 1344 O GLU A 85 122.686 1.615 5.826 1.00 0.00 O ATOM 1345 CB GLU A 85 121.024 2.374 8.154 1.00 0.00 C ATOM 1346 CG GLU A 85 121.810 1.097 8.458 1.00 0.00 C ATOM 1347 CD GLU A 85 121.134 0.340 9.602 1.00 0.00 C ATOM 1348 OE1 GLU A 85 120.557 -0.702 9.336 1.00 0.00 O ATOM 1349 OE2 GLU A 85 121.204 0.814 10.724 1.00 0.00 O ATOM 0 H GLU A 85 120.447 3.308 5.715 1.00 0.00 H new ATOM 0 HA GLU A 85 122.320 4.068 7.942 1.00 0.00 H new ATOM 0 HB2 GLU A 85 120.746 2.869 9.084 1.00 0.00 H new ATOM 0 HB3 GLU A 85 120.098 2.125 7.636 1.00 0.00 H new ATOM 0 HG2 GLU A 85 121.858 0.467 7.570 1.00 0.00 H new ATOM 0 HG3 GLU A 85 122.836 1.345 8.729 1.00 0.00 H new ATOM 1356 N GLY A 86 124.191 2.935 6.715 1.00 0.00 N ATOM 1357 CA GLY A 86 125.277 2.223 5.993 1.00 0.00 C ATOM 1358 C GLY A 86 124.981 2.292 4.495 1.00 0.00 C ATOM 1359 O GLY A 86 125.174 3.311 3.864 1.00 0.00 O ATOM 0 H GLY A 86 124.491 3.708 7.309 1.00 0.00 H new ATOM 0 HA2 GLY A 86 126.242 2.681 6.211 1.00 0.00 H new ATOM 0 HA3 GLY A 86 125.335 1.185 6.321 1.00 0.00 H new ATOM 1363 N ASN A 87 124.507 1.219 3.920 1.00 0.00 N ATOM 1364 CA ASN A 87 124.193 1.233 2.462 1.00 0.00 C ATOM 1365 C ASN A 87 122.743 0.800 2.228 1.00 0.00 C ATOM 1366 O ASN A 87 122.438 0.162 1.239 1.00 0.00 O ATOM 1367 CB ASN A 87 125.135 0.276 1.729 1.00 0.00 C ATOM 1368 CG ASN A 87 125.229 0.680 0.256 1.00 0.00 C ATOM 1369 OD1 ASN A 87 126.220 0.418 -0.396 1.00 0.00 O ATOM 1370 ND2 ASN A 87 124.231 1.313 -0.299 1.00 0.00 N ATOM 0 H ASN A 87 124.324 0.335 4.396 1.00 0.00 H new ATOM 0 HA ASN A 87 124.326 2.245 2.081 1.00 0.00 H new ATOM 0 HB2 ASN A 87 126.124 0.300 2.187 1.00 0.00 H new ATOM 0 HB3 ASN A 87 124.769 -0.747 1.814 1.00 0.00 H new ATOM 0 HD21 ASN A 87 124.283 1.587 -1.280 1.00 0.00 H new ATOM 0 HD22 ASN A 87 123.399 1.533 0.248 1.00 0.00 H new ATOM 1377 N LYS A 88 121.842 1.122 3.120 1.00 0.00 N ATOM 1378 CA LYS A 88 120.431 0.701 2.919 1.00 0.00 C ATOM 1379 C LYS A 88 119.478 1.814 3.361 1.00 0.00 C ATOM 1380 O LYS A 88 119.716 2.499 4.334 1.00 0.00 O ATOM 1381 CB LYS A 88 120.165 -0.550 3.753 1.00 0.00 C ATOM 1382 CG LYS A 88 120.927 -0.443 5.075 1.00 0.00 C ATOM 1383 CD LYS A 88 120.662 -1.688 5.922 1.00 0.00 C ATOM 1384 CE LYS A 88 121.671 -2.778 5.558 1.00 0.00 C ATOM 1385 NZ LYS A 88 121.154 -4.102 6.005 1.00 0.00 N ATOM 0 H LYS A 88 122.024 1.654 3.971 1.00 0.00 H new ATOM 0 HA LYS A 88 120.265 0.493 1.862 1.00 0.00 H new ATOM 0 HB2 LYS A 88 119.097 -0.655 3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 88 120.481 -1.439 3.208 1.00 0.00 H new ATOM 0 HG2 LYS A 88 121.995 -0.342 4.883 1.00 0.00 H new ATOM 0 HG3 LYS A 88 120.614 0.450 5.616 1.00 0.00 H new ATOM 0 HD2 LYS A 88 120.741 -1.444 6.981 1.00 0.00 H new ATOM 0 HD3 LYS A 88 119.647 -2.046 5.753 1.00 0.00 H new ATOM 0 HE2 LYS A 88 121.841 -2.786 4.481 1.00 0.00 H new ATOM 0 HE3 LYS A 88 122.631 -2.572 6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 121.840 -4.844 5.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 121.013 -4.090 7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 120.248 -4.298 5.534 1.00 0.00 H new ATOM 1399 N LEU A 89 118.390 1.987 2.658 1.00 0.00 N ATOM 1400 CA LEU A 89 117.412 3.042 3.046 1.00 0.00 C ATOM 1401 C LEU A 89 116.412 2.438 4.030 1.00 0.00 C ATOM 1402 O LEU A 89 115.538 1.686 3.648 1.00 0.00 O ATOM 1403 CB LEU A 89 116.665 3.530 1.801 1.00 0.00 C ATOM 1404 CG LEU A 89 117.542 4.515 1.025 1.00 0.00 C ATOM 1405 CD1 LEU A 89 117.156 4.485 -0.455 1.00 0.00 C ATOM 1406 CD2 LEU A 89 117.332 5.927 1.576 1.00 0.00 C ATOM 0 H LEU A 89 118.138 1.443 1.833 1.00 0.00 H new ATOM 0 HA LEU A 89 117.932 3.882 3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 89 116.404 2.683 1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 89 115.731 4.011 2.091 1.00 0.00 H new ATOM 0 HG LEU A 89 118.589 4.233 1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 89 117.780 5.187 -1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 89 117.303 3.479 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 89 116.109 4.768 -0.564 1.00 0.00 H new ATOM 0 HD21 LEU A 89 117.956 6.630 1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 89 116.285 6.208 1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 89 117.605 5.950 2.631 1.00 0.00 H new ATOM 1418 N ILE A 90 116.525 2.742 5.295 1.00 0.00 N ATOM 1419 CA ILE A 90 115.563 2.151 6.268 1.00 0.00 C ATOM 1420 C ILE A 90 114.264 2.946 6.266 1.00 0.00 C ATOM 1421 O ILE A 90 114.203 4.059 5.789 1.00 0.00 O ATOM 1422 CB ILE A 90 116.145 2.144 7.675 1.00 0.00 C ATOM 1423 CG1 ILE A 90 117.096 3.307 7.835 1.00 0.00 C ATOM 1424 CG2 ILE A 90 116.899 0.835 7.917 1.00 0.00 C ATOM 1425 CD1 ILE A 90 117.263 3.612 9.318 1.00 0.00 C ATOM 0 H ILE A 90 117.230 3.364 5.692 1.00 0.00 H new ATOM 0 HA ILE A 90 115.366 1.123 5.964 1.00 0.00 H new ATOM 0 HB ILE A 90 115.334 2.233 8.398 1.00 0.00 H new ATOM 0 HG12 ILE A 90 118.061 3.068 7.389 1.00 0.00 H new ATOM 0 HG13 ILE A 90 116.711 4.182 7.312 1.00 0.00 H new ATOM 0 HG21 ILE A 90 117.314 0.835 8.925 1.00 0.00 H new ATOM 0 HG22 ILE A 90 116.214 -0.005 7.806 1.00 0.00 H new ATOM 0 HG23 ILE A 90 117.708 0.742 7.192 1.00 0.00 H new ATOM 0 HD11 ILE A 90 117.948 4.451 9.442 1.00 0.00 H new ATOM 0 HD12 ILE A 90 116.295 3.868 9.748 1.00 0.00 H new ATOM 0 HD13 ILE A 90 117.666 2.736 9.827 1.00 0.00 H new ATOM 1437 N GLY A 91 113.230 2.366 6.805 1.00 0.00 N ATOM 1438 CA GLY A 91 111.908 3.045 6.861 1.00 0.00 C ATOM 1439 C GLY A 91 111.205 2.624 8.148 1.00 0.00 C ATOM 1440 O GLY A 91 110.571 1.590 8.216 1.00 0.00 O ATOM 0 H GLY A 91 113.246 1.433 7.217 1.00 0.00 H new ATOM 0 HA2 GLY A 91 112.036 4.127 6.835 1.00 0.00 H new ATOM 0 HA3 GLY A 91 111.306 2.775 5.994 1.00 0.00 H new ATOM 1444 N LYS A 92 111.319 3.414 9.168 1.00 0.00 N ATOM 1445 CA LYS A 92 110.664 3.067 10.456 1.00 0.00 C ATOM 1446 C LYS A 92 109.228 3.569 10.417 1.00 0.00 C ATOM 1447 O LYS A 92 108.979 4.745 10.555 1.00 0.00 O ATOM 1448 CB LYS A 92 111.413 3.733 11.613 1.00 0.00 C ATOM 1449 CG LYS A 92 112.529 2.806 12.100 1.00 0.00 C ATOM 1450 CD LYS A 92 113.443 3.569 13.061 1.00 0.00 C ATOM 1451 CE LYS A 92 114.734 2.777 13.271 1.00 0.00 C ATOM 1452 NZ LYS A 92 114.418 1.323 13.345 1.00 0.00 N ATOM 0 H LYS A 92 111.840 4.291 9.169 1.00 0.00 H new ATOM 0 HA LYS A 92 110.679 1.987 10.604 1.00 0.00 H new ATOM 0 HB2 LYS A 92 111.833 4.685 11.288 1.00 0.00 H new ATOM 0 HB3 LYS A 92 110.724 3.950 12.429 1.00 0.00 H new ATOM 0 HG2 LYS A 92 112.102 1.937 12.600 1.00 0.00 H new ATOM 0 HG3 LYS A 92 113.104 2.435 11.252 1.00 0.00 H new ATOM 0 HD2 LYS A 92 113.670 4.556 12.658 1.00 0.00 H new ATOM 0 HD3 LYS A 92 112.939 3.723 14.015 1.00 0.00 H new ATOM 0 HE2 LYS A 92 115.428 2.968 12.452 1.00 0.00 H new ATOM 0 HE3 LYS A 92 115.226 3.100 14.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 115.200 0.821 13.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 113.543 1.185 13.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 114.290 0.946 12.384 1.00 0.00 H new ATOM 1466 N PHE A 93 108.285 2.691 10.214 1.00 0.00 N ATOM 1467 CA PHE A 93 106.861 3.120 10.147 1.00 0.00 C ATOM 1468 C PHE A 93 106.076 2.511 11.297 1.00 0.00 C ATOM 1469 O PHE A 93 106.356 1.424 11.758 1.00 0.00 O ATOM 1470 CB PHE A 93 106.250 2.659 8.816 1.00 0.00 C ATOM 1471 CG PHE A 93 106.503 3.681 7.724 1.00 0.00 C ATOM 1472 CD1 PHE A 93 107.175 4.877 8.005 1.00 0.00 C ATOM 1473 CD2 PHE A 93 106.060 3.422 6.420 1.00 0.00 C ATOM 1474 CE1 PHE A 93 107.402 5.811 6.987 1.00 0.00 C ATOM 1475 CE2 PHE A 93 106.288 4.356 5.402 1.00 0.00 C ATOM 1476 CZ PHE A 93 106.959 5.551 5.686 1.00 0.00 C ATOM 0 H PHE A 93 108.441 1.690 10.091 1.00 0.00 H new ATOM 0 HA PHE A 93 106.815 4.207 10.219 1.00 0.00 H new ATOM 0 HB2 PHE A 93 106.678 1.699 8.528 1.00 0.00 H new ATOM 0 HB3 PHE A 93 105.177 2.507 8.936 1.00 0.00 H new ATOM 0 HD1 PHE A 93 107.519 5.079 9.009 1.00 0.00 H new ATOM 0 HD2 PHE A 93 105.542 2.500 6.200 1.00 0.00 H new ATOM 0 HE1 PHE A 93 107.920 6.733 7.206 1.00 0.00 H new ATOM 0 HE2 PHE A 93 105.946 4.154 4.398 1.00 0.00 H new ATOM 0 HZ PHE A 93 107.135 6.272 4.901 1.00 0.00 H new ATOM 1486 N LYS A 94 105.088 3.219 11.756 1.00 0.00 N ATOM 1487 CA LYS A 94 104.257 2.702 12.873 1.00 0.00 C ATOM 1488 C LYS A 94 102.783 2.894 12.542 1.00 0.00 C ATOM 1489 O LYS A 94 102.320 3.996 12.328 1.00 0.00 O ATOM 1490 CB LYS A 94 104.591 3.452 14.161 1.00 0.00 C ATOM 1491 CG LYS A 94 105.980 3.034 14.652 1.00 0.00 C ATOM 1492 CD LYS A 94 106.780 4.281 15.016 1.00 0.00 C ATOM 1493 CE LYS A 94 107.981 3.890 15.878 1.00 0.00 C ATOM 1494 NZ LYS A 94 108.620 5.120 16.427 1.00 0.00 N ATOM 0 H LYS A 94 104.819 4.138 11.404 1.00 0.00 H new ATOM 0 HA LYS A 94 104.465 1.641 13.012 1.00 0.00 H new ATOM 0 HB2 LYS A 94 104.565 4.527 13.985 1.00 0.00 H new ATOM 0 HB3 LYS A 94 103.844 3.235 14.924 1.00 0.00 H new ATOM 0 HG2 LYS A 94 105.891 2.379 15.519 1.00 0.00 H new ATOM 0 HG3 LYS A 94 106.498 2.469 13.877 1.00 0.00 H new ATOM 0 HD2 LYS A 94 107.119 4.785 14.111 1.00 0.00 H new ATOM 0 HD3 LYS A 94 106.147 4.986 15.555 1.00 0.00 H new ATOM 0 HE2 LYS A 94 107.662 3.239 16.692 1.00 0.00 H new ATOM 0 HE3 LYS A 94 108.701 3.327 15.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 109.437 4.855 17.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 108.938 5.725 15.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 107.931 5.639 17.008 1.00 0.00 H new ATOM 1508 N ARG A 95 102.044 1.824 12.505 1.00 0.00 N ATOM 1509 CA ARG A 95 100.594 1.933 12.192 1.00 0.00 C ATOM 1510 C ARG A 95 99.959 2.951 13.135 1.00 0.00 C ATOM 1511 O ARG A 95 99.914 2.759 14.331 1.00 0.00 O ATOM 1512 CB ARG A 95 99.923 0.568 12.380 1.00 0.00 C ATOM 1513 CG ARG A 95 99.900 -0.179 11.045 1.00 0.00 C ATOM 1514 CD ARG A 95 99.512 -1.638 11.284 1.00 0.00 C ATOM 1515 NE ARG A 95 98.419 -1.702 12.294 1.00 0.00 N ATOM 1516 CZ ARG A 95 97.176 -1.563 11.920 1.00 0.00 C ATOM 1517 NH1 ARG A 95 96.218 -1.618 12.804 1.00 0.00 N ATOM 1518 NH2 ARG A 95 96.891 -1.367 10.662 1.00 0.00 N ATOM 0 H ARG A 95 102.381 0.877 12.678 1.00 0.00 H new ATOM 0 HA ARG A 95 100.463 2.255 11.159 1.00 0.00 H new ATOM 0 HB2 ARG A 95 100.464 -0.015 13.126 1.00 0.00 H new ATOM 0 HB3 ARG A 95 98.907 0.699 12.753 1.00 0.00 H new ATOM 0 HG2 ARG A 95 99.189 0.291 10.365 1.00 0.00 H new ATOM 0 HG3 ARG A 95 100.879 -0.125 10.569 1.00 0.00 H new ATOM 0 HD2 ARG A 95 99.186 -2.096 10.350 1.00 0.00 H new ATOM 0 HD3 ARG A 95 100.377 -2.203 11.632 1.00 0.00 H new ATOM 0 HE ARG A 95 98.642 -1.854 13.278 1.00 0.00 H new ATOM 0 HH11 ARG A 95 96.440 -1.770 13.788 1.00 0.00 H new ATOM 0 HH12 ARG A 95 95.247 -1.509 12.511 1.00 0.00 H new ATOM 0 HH21 ARG A 95 97.639 -1.322 9.970 1.00 0.00 H new ATOM 0 HH22 ARG A 95 95.920 -1.258 10.370 1.00 0.00 H new ATOM 1532 N THR A 96 99.476 4.037 12.609 1.00 0.00 N ATOM 1533 CA THR A 96 98.855 5.068 13.483 1.00 0.00 C ATOM 1534 C THR A 96 97.582 4.513 14.093 1.00 0.00 C ATOM 1535 O THR A 96 97.013 5.056 15.020 1.00 0.00 O ATOM 1536 CB THR A 96 98.528 6.299 12.647 1.00 0.00 C ATOM 1537 OG1 THR A 96 98.376 5.916 11.288 1.00 0.00 O ATOM 1538 CG2 THR A 96 99.659 7.318 12.767 1.00 0.00 C ATOM 0 H THR A 96 99.483 4.257 11.613 1.00 0.00 H new ATOM 0 HA THR A 96 99.546 5.341 14.280 1.00 0.00 H new ATOM 0 HB THR A 96 97.602 6.747 13.007 1.00 0.00 H new ATOM 0 HG1 THR A 96 98.155 4.962 11.240 1.00 0.00 H new ATOM 0 HG21 THR A 96 99.422 8.197 12.168 1.00 0.00 H new ATOM 0 HG22 THR A 96 99.776 7.611 13.810 1.00 0.00 H new ATOM 0 HG23 THR A 96 100.588 6.874 12.409 1.00 0.00 H new ATOM 1546 N ASP A 97 97.150 3.435 13.562 1.00 0.00 N ATOM 1547 CA ASP A 97 95.909 2.780 14.057 1.00 0.00 C ATOM 1548 C ASP A 97 96.207 2.016 15.349 1.00 0.00 C ATOM 1549 O ASP A 97 95.514 2.154 16.337 1.00 0.00 O ATOM 1550 CB ASP A 97 95.389 1.805 12.998 1.00 0.00 C ATOM 1551 CG ASP A 97 94.050 1.221 13.454 1.00 0.00 C ATOM 1552 OD1 ASP A 97 93.798 1.232 14.648 1.00 0.00 O ATOM 1553 OD2 ASP A 97 93.301 0.773 12.602 1.00 0.00 O ATOM 0 H ASP A 97 97.605 2.955 12.785 1.00 0.00 H new ATOM 0 HA ASP A 97 95.155 3.542 14.254 1.00 0.00 H new ATOM 0 HB2 ASP A 97 95.268 2.318 12.044 1.00 0.00 H new ATOM 0 HB3 ASP A 97 96.112 1.005 12.839 1.00 0.00 H new ATOM 1558 N ASN A 98 97.230 1.208 15.347 1.00 0.00 N ATOM 1559 CA ASN A 98 97.572 0.431 16.572 1.00 0.00 C ATOM 1560 C ASN A 98 99.070 0.551 16.866 1.00 0.00 C ATOM 1561 O ASN A 98 99.605 -0.158 17.696 1.00 0.00 O ATOM 1562 CB ASN A 98 97.211 -1.042 16.356 1.00 0.00 C ATOM 1563 CG ASN A 98 95.753 -1.278 16.754 1.00 0.00 C ATOM 1564 OD1 ASN A 98 95.417 -2.314 17.292 1.00 0.00 O ATOM 1565 ND2 ASN A 98 94.864 -0.353 16.511 1.00 0.00 N ATOM 0 H ASN A 98 97.845 1.052 14.549 1.00 0.00 H new ATOM 0 HA ASN A 98 97.009 0.828 17.417 1.00 0.00 H new ATOM 0 HB2 ASN A 98 97.362 -1.314 15.311 1.00 0.00 H new ATOM 0 HB3 ASN A 98 97.868 -1.678 16.949 1.00 0.00 H new ATOM 0 HD21 ASN A 98 93.889 -0.501 16.773 1.00 0.00 H new ATOM 0 HD22 ASN A 98 95.144 0.518 16.059 1.00 0.00 H new ATOM 1572 N GLY A 99 99.753 1.440 16.198 1.00 0.00 N ATOM 1573 CA GLY A 99 101.215 1.597 16.449 1.00 0.00 C ATOM 1574 C GLY A 99 101.876 0.218 16.504 1.00 0.00 C ATOM 1575 O GLY A 99 102.714 -0.046 17.343 1.00 0.00 O ATOM 0 H GLY A 99 99.364 2.063 15.491 1.00 0.00 H new ATOM 0 HA2 GLY A 99 101.668 2.197 15.660 1.00 0.00 H new ATOM 0 HA3 GLY A 99 101.379 2.128 17.387 1.00 0.00 H new ATOM 1579 N ASN A 100 101.506 -0.664 15.616 1.00 0.00 N ATOM 1580 CA ASN A 100 102.115 -2.026 15.623 1.00 0.00 C ATOM 1581 C ASN A 100 103.527 -1.956 15.048 1.00 0.00 C ATOM 1582 O ASN A 100 104.097 -2.946 14.636 1.00 0.00 O ATOM 1583 CB ASN A 100 101.269 -2.969 14.775 1.00 0.00 C ATOM 1584 CG ASN A 100 100.026 -3.391 15.561 1.00 0.00 C ATOM 1585 OD1 ASN A 100 100.097 -3.621 16.752 1.00 0.00 O ATOM 1586 ND2 ASN A 100 98.883 -3.503 14.941 1.00 0.00 N ATOM 0 H ASN A 100 100.811 -0.502 14.888 1.00 0.00 H new ATOM 0 HA ASN A 100 102.156 -2.397 16.647 1.00 0.00 H new ATOM 0 HB2 ASN A 100 100.975 -2.476 13.848 1.00 0.00 H new ATOM 0 HB3 ASN A 100 101.852 -3.847 14.498 1.00 0.00 H new ATOM 0 HD21 ASN A 100 98.049 -3.784 15.456 1.00 0.00 H new ATOM 0 HD22 ASN A 100 98.824 -3.310 13.941 1.00 0.00 H new ATOM 1593 N GLU A 101 104.081 -0.785 15.032 1.00 0.00 N ATOM 1594 CA GLU A 101 105.464 -0.586 14.499 1.00 0.00 C ATOM 1595 C GLU A 101 105.653 -1.335 13.173 1.00 0.00 C ATOM 1596 O GLU A 101 104.883 -2.202 12.812 1.00 0.00 O ATOM 1597 CB GLU A 101 106.492 -1.080 15.527 1.00 0.00 C ATOM 1598 CG GLU A 101 106.482 -2.610 15.603 1.00 0.00 C ATOM 1599 CD GLU A 101 107.765 -3.091 16.285 1.00 0.00 C ATOM 1600 OE1 GLU A 101 108.082 -4.261 16.147 1.00 0.00 O ATOM 1601 OE2 GLU A 101 108.407 -2.282 16.935 1.00 0.00 O ATOM 0 H GLU A 101 103.631 0.065 15.371 1.00 0.00 H new ATOM 0 HA GLU A 101 105.613 0.478 14.316 1.00 0.00 H new ATOM 0 HB2 GLU A 101 107.487 -0.730 15.252 1.00 0.00 H new ATOM 0 HB3 GLU A 101 106.266 -0.660 16.507 1.00 0.00 H new ATOM 0 HG2 GLU A 101 105.610 -2.952 16.160 1.00 0.00 H new ATOM 0 HG3 GLU A 101 106.407 -3.035 14.602 1.00 0.00 H new ATOM 1608 N LEU A 102 106.685 -0.998 12.451 1.00 0.00 N ATOM 1609 CA LEU A 102 106.965 -1.667 11.154 1.00 0.00 C ATOM 1610 C LEU A 102 108.402 -1.325 10.756 1.00 0.00 C ATOM 1611 O LEU A 102 108.782 -0.171 10.724 1.00 0.00 O ATOM 1612 CB LEU A 102 105.977 -1.162 10.091 1.00 0.00 C ATOM 1613 CG LEU A 102 106.585 -1.289 8.687 1.00 0.00 C ATOM 1614 CD1 LEU A 102 106.803 -2.765 8.342 1.00 0.00 C ATOM 1615 CD2 LEU A 102 105.626 -0.666 7.667 1.00 0.00 C ATOM 0 H LEU A 102 107.356 -0.275 12.711 1.00 0.00 H new ATOM 0 HA LEU A 102 106.849 -2.747 11.239 1.00 0.00 H new ATOM 0 HB2 LEU A 102 105.051 -1.735 10.146 1.00 0.00 H new ATOM 0 HB3 LEU A 102 105.721 -0.121 10.290 1.00 0.00 H new ATOM 0 HG LEU A 102 107.544 -0.772 8.661 1.00 0.00 H new ATOM 0 HD11 LEU A 102 107.235 -2.846 7.344 1.00 0.00 H new ATOM 0 HD12 LEU A 102 107.482 -3.212 9.068 1.00 0.00 H new ATOM 0 HD13 LEU A 102 105.848 -3.290 8.368 1.00 0.00 H new ATOM 0 HD21 LEU A 102 106.052 -0.753 6.667 1.00 0.00 H new ATOM 0 HD22 LEU A 102 104.670 -1.188 7.701 1.00 0.00 H new ATOM 0 HD23 LEU A 102 105.474 0.386 7.906 1.00 0.00 H new ATOM 1627 N ASN A 103 109.208 -2.308 10.463 1.00 0.00 N ATOM 1628 CA ASN A 103 110.619 -2.016 10.082 1.00 0.00 C ATOM 1629 C ASN A 103 110.834 -2.419 8.627 1.00 0.00 C ATOM 1630 O ASN A 103 110.729 -3.575 8.275 1.00 0.00 O ATOM 1631 CB ASN A 103 111.569 -2.810 10.988 1.00 0.00 C ATOM 1632 CG ASN A 103 112.385 -1.846 11.853 1.00 0.00 C ATOM 1633 OD1 ASN A 103 113.434 -1.386 11.446 1.00 0.00 O ATOM 1634 ND2 ASN A 103 111.945 -1.518 13.037 1.00 0.00 N ATOM 0 H ASN A 103 108.953 -3.296 10.471 1.00 0.00 H new ATOM 0 HA ASN A 103 110.822 -0.952 10.199 1.00 0.00 H new ATOM 0 HB2 ASN A 103 110.999 -3.489 11.622 1.00 0.00 H new ATOM 0 HB3 ASN A 103 112.236 -3.424 10.383 1.00 0.00 H new ATOM 0 HD21 ASN A 103 112.481 -0.876 13.621 1.00 0.00 H new ATOM 0 HD22 ASN A 103 111.065 -1.904 13.379 1.00 0.00 H new ATOM 1641 N THR A 104 111.122 -1.476 7.771 1.00 0.00 N ATOM 1642 CA THR A 104 111.318 -1.820 6.339 1.00 0.00 C ATOM 1643 C THR A 104 112.666 -1.301 5.835 1.00 0.00 C ATOM 1644 O THR A 104 113.398 -0.633 6.539 1.00 0.00 O ATOM 1645 CB THR A 104 110.200 -1.185 5.515 1.00 0.00 C ATOM 1646 OG1 THR A 104 110.512 -1.287 4.133 1.00 0.00 O ATOM 1647 CG2 THR A 104 110.066 0.290 5.904 1.00 0.00 C ATOM 0 H THR A 104 111.229 -0.488 8.002 1.00 0.00 H new ATOM 0 HA THR A 104 111.299 -2.905 6.235 1.00 0.00 H new ATOM 0 HB THR A 104 109.260 -1.702 5.710 1.00 0.00 H new ATOM 0 HG1 THR A 104 110.515 -2.230 3.867 1.00 0.00 H new ATOM 0 HG21 THR A 104 109.269 0.750 5.319 1.00 0.00 H new ATOM 0 HG22 THR A 104 109.828 0.366 6.965 1.00 0.00 H new ATOM 0 HG23 THR A 104 111.006 0.806 5.705 1.00 0.00 H new ATOM 1655 N VAL A 105 112.986 -1.607 4.607 1.00 0.00 N ATOM 1656 CA VAL A 105 114.271 -1.146 4.016 1.00 0.00 C ATOM 1657 C VAL A 105 114.086 -0.956 2.508 1.00 0.00 C ATOM 1658 O VAL A 105 113.242 -1.581 1.897 1.00 0.00 O ATOM 1659 CB VAL A 105 115.358 -2.192 4.273 1.00 0.00 C ATOM 1660 CG1 VAL A 105 116.690 -1.691 3.714 1.00 0.00 C ATOM 1661 CG2 VAL A 105 115.493 -2.425 5.780 1.00 0.00 C ATOM 0 H VAL A 105 112.403 -2.164 3.982 1.00 0.00 H new ATOM 0 HA VAL A 105 114.569 -0.202 4.472 1.00 0.00 H new ATOM 0 HB VAL A 105 115.087 -3.127 3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 105 117.465 -2.436 3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 105 116.594 -1.523 2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 105 116.962 -0.757 4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 105 116.267 -3.170 5.965 1.00 0.00 H new ATOM 0 HG22 VAL A 105 115.765 -1.490 6.270 1.00 0.00 H new ATOM 0 HG23 VAL A 105 114.544 -2.781 6.180 1.00 0.00 H new ATOM 1671 N ARG A 106 114.859 -0.094 1.904 1.00 0.00 N ATOM 1672 CA ARG A 106 114.716 0.138 0.437 1.00 0.00 C ATOM 1673 C ARG A 106 116.069 -0.057 -0.253 1.00 0.00 C ATOM 1674 O ARG A 106 117.093 0.401 0.219 1.00 0.00 O ATOM 1675 CB ARG A 106 114.216 1.568 0.195 1.00 0.00 C ATOM 1676 CG ARG A 106 112.786 1.532 -0.353 1.00 0.00 C ATOM 1677 CD ARG A 106 112.366 2.942 -0.775 1.00 0.00 C ATOM 1678 NE ARG A 106 110.924 2.940 -1.147 1.00 0.00 N ATOM 1679 CZ ARG A 106 110.433 3.915 -1.860 1.00 0.00 C ATOM 1680 NH1 ARG A 106 109.169 3.915 -2.184 1.00 0.00 N ATOM 1681 NH2 ARG A 106 111.205 4.891 -2.252 1.00 0.00 N ATOM 0 H ARG A 106 115.583 0.459 2.362 1.00 0.00 H new ATOM 0 HA ARG A 106 114.000 -0.574 0.026 1.00 0.00 H new ATOM 0 HB2 ARG A 106 114.245 2.135 1.125 1.00 0.00 H new ATOM 0 HB3 ARG A 106 114.873 2.078 -0.510 1.00 0.00 H new ATOM 0 HG2 ARG A 106 112.728 0.854 -1.204 1.00 0.00 H new ATOM 0 HG3 ARG A 106 112.104 1.150 0.406 1.00 0.00 H new ATOM 0 HD2 ARG A 106 112.541 3.644 0.040 1.00 0.00 H new ATOM 0 HD3 ARG A 106 112.970 3.276 -1.619 1.00 0.00 H new ATOM 0 HE ARG A 106 110.320 2.176 -0.844 1.00 0.00 H new ATOM 0 HH11 ARG A 106 108.564 3.152 -1.879 1.00 0.00 H new ATOM 0 HH12 ARG A 106 108.785 4.678 -2.742 1.00 0.00 H new ATOM 0 HH21 ARG A 106 112.194 4.892 -2.001 1.00 0.00 H new ATOM 0 HH22 ARG A 106 110.820 5.653 -2.810 1.00 0.00 H new ATOM 1695 N GLU A 107 116.077 -0.731 -1.374 1.00 0.00 N ATOM 1696 CA GLU A 107 117.353 -0.958 -2.109 1.00 0.00 C ATOM 1697 C GLU A 107 117.109 -0.764 -3.606 1.00 0.00 C ATOM 1698 O GLU A 107 115.992 -0.853 -4.076 1.00 0.00 O ATOM 1699 CB GLU A 107 117.848 -2.383 -1.848 1.00 0.00 C ATOM 1700 CG GLU A 107 118.685 -2.406 -0.567 1.00 0.00 C ATOM 1701 CD GLU A 107 120.160 -2.190 -0.913 1.00 0.00 C ATOM 1702 OE1 GLU A 107 120.762 -1.305 -0.328 1.00 0.00 O ATOM 1703 OE2 GLU A 107 120.662 -2.915 -1.757 1.00 0.00 O ATOM 0 H GLU A 107 115.249 -1.135 -1.812 1.00 0.00 H new ATOM 0 HA GLU A 107 118.107 -0.249 -1.766 1.00 0.00 H new ATOM 0 HB2 GLU A 107 117.001 -3.062 -1.754 1.00 0.00 H new ATOM 0 HB3 GLU A 107 118.444 -2.732 -2.691 1.00 0.00 H new ATOM 0 HG2 GLU A 107 118.344 -1.628 0.116 1.00 0.00 H new ATOM 0 HG3 GLU A 107 118.557 -3.359 -0.054 1.00 0.00 H new ATOM 1710 N ILE A 108 118.140 -0.497 -4.362 1.00 0.00 N ATOM 1711 CA ILE A 108 117.967 -0.296 -5.816 1.00 0.00 C ATOM 1712 C ILE A 108 118.850 -1.296 -6.545 1.00 0.00 C ATOM 1713 O ILE A 108 119.949 -0.986 -6.959 1.00 0.00 O ATOM 1714 CB ILE A 108 118.406 1.114 -6.184 1.00 0.00 C ATOM 1715 CG1 ILE A 108 117.738 2.132 -5.243 1.00 0.00 C ATOM 1716 CG2 ILE A 108 118.008 1.385 -7.629 1.00 0.00 C ATOM 1717 CD1 ILE A 108 116.520 2.762 -5.921 1.00 0.00 C ATOM 0 H ILE A 108 119.099 -0.410 -4.025 1.00 0.00 H new ATOM 0 HA ILE A 108 116.922 -0.437 -6.094 1.00 0.00 H new ATOM 0 HB ILE A 108 119.487 1.210 -6.079 1.00 0.00 H new ATOM 0 HG12 ILE A 108 117.434 1.639 -4.320 1.00 0.00 H new ATOM 0 HG13 ILE A 108 118.453 2.908 -4.970 1.00 0.00 H new ATOM 0 HG21 ILE A 108 118.316 2.393 -7.908 1.00 0.00 H new ATOM 0 HG22 ILE A 108 118.496 0.662 -8.283 1.00 0.00 H new ATOM 0 HG23 ILE A 108 116.927 1.295 -7.732 1.00 0.00 H new ATOM 0 HD11 ILE A 108 116.057 3.480 -5.244 1.00 0.00 H new ATOM 0 HD12 ILE A 108 116.834 3.272 -6.832 1.00 0.00 H new ATOM 0 HD13 ILE A 108 115.800 1.983 -6.171 1.00 0.00 H new ATOM 1729 N ILE A 109 118.383 -2.494 -6.699 1.00 0.00 N ATOM 1730 CA ILE A 109 119.206 -3.512 -7.396 1.00 0.00 C ATOM 1731 C ILE A 109 119.424 -3.070 -8.840 1.00 0.00 C ATOM 1732 O ILE A 109 118.639 -3.363 -9.720 1.00 0.00 O ATOM 1733 CB ILE A 109 118.492 -4.868 -7.366 1.00 0.00 C ATOM 1734 CG1 ILE A 109 118.717 -5.527 -6.001 1.00 0.00 C ATOM 1735 CG2 ILE A 109 119.053 -5.773 -8.467 1.00 0.00 C ATOM 1736 CD1 ILE A 109 117.880 -6.803 -5.905 1.00 0.00 C ATOM 0 H ILE A 109 117.471 -2.814 -6.375 1.00 0.00 H new ATOM 0 HA ILE A 109 120.169 -3.612 -6.895 1.00 0.00 H new ATOM 0 HB ILE A 109 117.425 -4.719 -7.532 1.00 0.00 H new ATOM 0 HG12 ILE A 109 119.773 -5.762 -5.869 1.00 0.00 H new ATOM 0 HG13 ILE A 109 118.441 -4.838 -5.203 1.00 0.00 H new ATOM 0 HG21 ILE A 109 118.543 -6.736 -8.442 1.00 0.00 H new ATOM 0 HG22 ILE A 109 118.896 -5.304 -9.438 1.00 0.00 H new ATOM 0 HG23 ILE A 109 120.120 -5.924 -8.305 1.00 0.00 H new ATOM 0 HD11 ILE A 109 118.041 -7.271 -4.934 1.00 0.00 H new ATOM 0 HD12 ILE A 109 116.825 -6.555 -6.018 1.00 0.00 H new ATOM 0 HD13 ILE A 109 118.177 -7.493 -6.694 1.00 0.00 H new ATOM 1748 N GLY A 110 120.492 -2.371 -9.085 1.00 0.00 N ATOM 1749 CA GLY A 110 120.785 -1.908 -10.472 1.00 0.00 C ATOM 1750 C GLY A 110 119.590 -1.129 -11.034 1.00 0.00 C ATOM 1751 O GLY A 110 119.577 0.085 -11.035 1.00 0.00 O ATOM 0 H GLY A 110 121.180 -2.097 -8.383 1.00 0.00 H new ATOM 0 HA2 GLY A 110 121.673 -1.276 -10.472 1.00 0.00 H new ATOM 0 HA3 GLY A 110 121.003 -2.764 -11.110 1.00 0.00 H new ATOM 1755 N ASP A 111 118.592 -1.818 -11.528 1.00 0.00 N ATOM 1756 CA ASP A 111 117.411 -1.113 -12.104 1.00 0.00 C ATOM 1757 C ASP A 111 116.119 -1.645 -11.479 1.00 0.00 C ATOM 1758 O ASP A 111 115.073 -1.639 -12.096 1.00 0.00 O ATOM 1759 CB ASP A 111 117.374 -1.333 -13.618 1.00 0.00 C ATOM 1760 CG ASP A 111 117.771 -2.776 -13.935 1.00 0.00 C ATOM 1761 OD1 ASP A 111 118.953 -3.073 -13.873 1.00 0.00 O ATOM 1762 OD2 ASP A 111 116.886 -3.560 -14.235 1.00 0.00 O ATOM 0 H ASP A 111 118.546 -2.837 -11.556 1.00 0.00 H new ATOM 0 HA ASP A 111 117.495 -0.048 -11.889 1.00 0.00 H new ATOM 0 HB2 ASP A 111 116.375 -1.127 -14.002 1.00 0.00 H new ATOM 0 HB3 ASP A 111 118.054 -0.640 -14.113 1.00 0.00 H new ATOM 1767 N GLU A 112 116.184 -2.098 -10.262 1.00 0.00 N ATOM 1768 CA GLU A 112 114.962 -2.621 -9.589 1.00 0.00 C ATOM 1769 C GLU A 112 114.899 -2.053 -8.172 1.00 0.00 C ATOM 1770 O GLU A 112 115.913 -1.878 -7.527 1.00 0.00 O ATOM 1771 CB GLU A 112 115.027 -4.151 -9.532 1.00 0.00 C ATOM 1772 CG GLU A 112 115.793 -4.676 -10.748 1.00 0.00 C ATOM 1773 CD GLU A 112 115.700 -6.202 -10.789 1.00 0.00 C ATOM 1774 OE1 GLU A 112 115.886 -6.758 -11.858 1.00 0.00 O ATOM 1775 OE2 GLU A 112 115.445 -6.789 -9.750 1.00 0.00 O ATOM 0 H GLU A 112 117.034 -2.130 -9.699 1.00 0.00 H new ATOM 0 HA GLU A 112 114.073 -2.323 -10.144 1.00 0.00 H new ATOM 0 HB2 GLU A 112 115.519 -4.471 -8.613 1.00 0.00 H new ATOM 0 HB3 GLU A 112 114.020 -4.568 -9.516 1.00 0.00 H new ATOM 0 HG2 GLU A 112 115.380 -4.251 -11.663 1.00 0.00 H new ATOM 0 HG3 GLU A 112 116.837 -4.366 -10.696 1.00 0.00 H new ATOM 1782 N LEU A 113 113.726 -1.759 -7.672 1.00 0.00 N ATOM 1783 CA LEU A 113 113.642 -1.200 -6.289 1.00 0.00 C ATOM 1784 C LEU A 113 113.131 -2.281 -5.345 1.00 0.00 C ATOM 1785 O LEU A 113 112.001 -2.717 -5.437 1.00 0.00 O ATOM 1786 CB LEU A 113 112.694 0.002 -6.269 1.00 0.00 C ATOM 1787 CG LEU A 113 112.630 0.597 -4.860 1.00 0.00 C ATOM 1788 CD1 LEU A 113 113.813 1.544 -4.650 1.00 0.00 C ATOM 1789 CD2 LEU A 113 111.323 1.379 -4.702 1.00 0.00 C ATOM 0 H LEU A 113 112.835 -1.879 -8.153 1.00 0.00 H new ATOM 0 HA LEU A 113 114.630 -0.872 -5.967 1.00 0.00 H new ATOM 0 HB2 LEU A 113 113.037 0.757 -6.976 1.00 0.00 H new ATOM 0 HB3 LEU A 113 111.698 -0.305 -6.588 1.00 0.00 H new ATOM 0 HG LEU A 113 112.672 -0.206 -4.124 1.00 0.00 H new ATOM 0 HD11 LEU A 113 113.767 1.967 -3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 113 114.746 0.993 -4.769 1.00 0.00 H new ATOM 0 HD13 LEU A 113 113.771 2.348 -5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 113 111.273 1.805 -3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.287 2.181 -5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 113 110.477 0.709 -4.854 1.00 0.00 H new ATOM 1801 N VAL A 114 113.957 -2.723 -4.435 1.00 0.00 N ATOM 1802 CA VAL A 114 113.516 -3.782 -3.491 1.00 0.00 C ATOM 1803 C VAL A 114 113.118 -3.145 -2.163 1.00 0.00 C ATOM 1804 O VAL A 114 113.951 -2.686 -1.408 1.00 0.00 O ATOM 1805 CB VAL A 114 114.658 -4.772 -3.260 1.00 0.00 C ATOM 1806 CG1 VAL A 114 114.121 -6.011 -2.541 1.00 0.00 C ATOM 1807 CG2 VAL A 114 115.255 -5.185 -4.608 1.00 0.00 C ATOM 0 H VAL A 114 114.915 -2.396 -4.307 1.00 0.00 H new ATOM 0 HA VAL A 114 112.661 -4.310 -3.913 1.00 0.00 H new ATOM 0 HB VAL A 114 115.428 -4.302 -2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 114 114.935 -6.717 -2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 114 113.694 -5.719 -1.582 1.00 0.00 H new ATOM 0 HG13 VAL A 114 113.351 -6.481 -3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 114 116.069 -5.891 -4.444 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.484 -5.655 -5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 114 115.637 -4.303 -5.122 1.00 0.00 H new ATOM 1817 N GLN A 115 111.850 -3.128 -1.868 1.00 0.00 N ATOM 1818 CA GLN A 115 111.395 -2.537 -0.584 1.00 0.00 C ATOM 1819 C GLN A 115 111.010 -3.678 0.351 1.00 0.00 C ATOM 1820 O GLN A 115 109.998 -4.325 0.168 1.00 0.00 O ATOM 1821 CB GLN A 115 110.180 -1.640 -0.829 1.00 0.00 C ATOM 1822 CG GLN A 115 109.781 -0.952 0.479 1.00 0.00 C ATOM 1823 CD GLN A 115 108.740 0.131 0.190 1.00 0.00 C ATOM 1824 OE1 GLN A 115 107.758 0.249 0.895 1.00 0.00 O ATOM 1825 NE2 GLN A 115 108.914 0.934 -0.824 1.00 0.00 N ATOM 0 H GLN A 115 111.109 -3.499 -2.462 1.00 0.00 H new ATOM 0 HA GLN A 115 112.190 -1.936 -0.142 1.00 0.00 H new ATOM 0 HB2 GLN A 115 110.413 -0.894 -1.588 1.00 0.00 H new ATOM 0 HB3 GLN A 115 109.348 -2.233 -1.209 1.00 0.00 H new ATOM 0 HG2 GLN A 115 109.376 -1.684 1.178 1.00 0.00 H new ATOM 0 HG3 GLN A 115 110.658 -0.511 0.952 1.00 0.00 H new ATOM 0 HE21 GLN A 115 109.738 0.836 -1.417 1.00 0.00 H new ATOM 0 HE22 GLN A 115 108.226 1.660 -1.024 1.00 0.00 H new ATOM 1834 N THR A 116 111.813 -3.947 1.339 1.00 0.00 N ATOM 1835 CA THR A 116 111.486 -5.065 2.263 1.00 0.00 C ATOM 1836 C THR A 116 110.870 -4.522 3.544 1.00 0.00 C ATOM 1837 O THR A 116 111.230 -3.467 4.024 1.00 0.00 O ATOM 1838 CB THR A 116 112.759 -5.838 2.611 1.00 0.00 C ATOM 1839 OG1 THR A 116 113.665 -5.779 1.518 1.00 0.00 O ATOM 1840 CG2 THR A 116 112.408 -7.296 2.912 1.00 0.00 C ATOM 0 H THR A 116 112.676 -3.445 1.546 1.00 0.00 H new ATOM 0 HA THR A 116 110.775 -5.728 1.771 1.00 0.00 H new ATOM 0 HB THR A 116 113.225 -5.392 3.490 1.00 0.00 H new ATOM 0 HG1 THR A 116 114.481 -6.273 1.742 1.00 0.00 H new ATOM 0 HG21 THR A 116 113.316 -7.845 3.160 1.00 0.00 H new ATOM 0 HG22 THR A 116 111.718 -7.338 3.754 1.00 0.00 H new ATOM 0 HG23 THR A 116 111.940 -7.746 2.037 1.00 0.00 H new ATOM 1848 N TYR A 117 109.957 -5.250 4.112 1.00 0.00 N ATOM 1849 CA TYR A 117 109.328 -4.798 5.382 1.00 0.00 C ATOM 1850 C TYR A 117 109.544 -5.852 6.447 1.00 0.00 C ATOM 1851 O TYR A 117 109.733 -7.014 6.165 1.00 0.00 O ATOM 1852 CB TYR A 117 107.821 -4.594 5.222 1.00 0.00 C ATOM 1853 CG TYR A 117 107.537 -3.867 3.945 1.00 0.00 C ATOM 1854 CD1 TYR A 117 107.834 -4.485 2.742 1.00 0.00 C ATOM 1855 CD2 TYR A 117 106.975 -2.587 3.967 1.00 0.00 C ATOM 1856 CE1 TYR A 117 107.570 -3.830 1.535 1.00 0.00 C ATOM 1857 CE2 TYR A 117 106.710 -1.924 2.765 1.00 0.00 C ATOM 1858 CZ TYR A 117 107.008 -2.545 1.545 1.00 0.00 C ATOM 1859 OH TYR A 117 106.746 -1.896 0.356 1.00 0.00 O ATOM 0 H TYR A 117 109.617 -6.142 3.752 1.00 0.00 H new ATOM 0 HA TYR A 117 109.788 -3.850 5.661 1.00 0.00 H new ATOM 0 HB2 TYR A 117 107.313 -5.558 5.222 1.00 0.00 H new ATOM 0 HB3 TYR A 117 107.430 -4.028 6.067 1.00 0.00 H new ATOM 0 HD1 TYR A 117 108.270 -5.473 2.736 1.00 0.00 H new ATOM 0 HD2 TYR A 117 106.746 -2.112 4.910 1.00 0.00 H new ATOM 0 HE1 TYR A 117 107.799 -4.313 0.596 1.00 0.00 H new ATOM 0 HE2 TYR A 117 106.276 -0.935 2.777 1.00 0.00 H new ATOM 0 HH TYR A 117 106.670 -0.933 0.519 1.00 0.00 H new ATOM 1869 N VAL A 118 109.481 -5.443 7.666 1.00 0.00 N ATOM 1870 CA VAL A 118 109.639 -6.395 8.797 1.00 0.00 C ATOM 1871 C VAL A 118 108.460 -6.224 9.725 1.00 0.00 C ATOM 1872 O VAL A 118 107.920 -5.145 9.872 1.00 0.00 O ATOM 1873 CB VAL A 118 110.910 -6.112 9.590 1.00 0.00 C ATOM 1874 CG1 VAL A 118 111.182 -7.275 10.548 1.00 0.00 C ATOM 1875 CG2 VAL A 118 112.096 -5.939 8.640 1.00 0.00 C ATOM 0 H VAL A 118 109.324 -4.473 7.941 1.00 0.00 H new ATOM 0 HA VAL A 118 109.696 -7.406 8.394 1.00 0.00 H new ATOM 0 HB VAL A 118 110.778 -5.192 10.160 1.00 0.00 H new ATOM 0 HG11 VAL A 118 112.091 -7.074 11.116 1.00 0.00 H new ATOM 0 HG12 VAL A 118 110.342 -7.385 11.234 1.00 0.00 H new ATOM 0 HG13 VAL A 118 111.307 -8.195 9.977 1.00 0.00 H new ATOM 0 HG21 VAL A 118 112.998 -5.737 9.217 1.00 0.00 H new ATOM 0 HG22 VAL A 118 112.233 -6.851 8.059 1.00 0.00 H new ATOM 0 HG23 VAL A 118 111.903 -5.105 7.965 1.00 0.00 H new ATOM 1885 N TYR A 119 108.054 -7.273 10.351 1.00 0.00 N ATOM 1886 CA TYR A 119 106.898 -7.158 11.271 1.00 0.00 C ATOM 1887 C TYR A 119 107.044 -8.111 12.459 1.00 0.00 C ATOM 1888 O TYR A 119 106.940 -9.314 12.333 1.00 0.00 O ATOM 1889 CB TYR A 119 105.613 -7.473 10.509 1.00 0.00 C ATOM 1890 CG TYR A 119 104.511 -6.564 10.987 1.00 0.00 C ATOM 1891 CD1 TYR A 119 103.843 -6.860 12.174 1.00 0.00 C ATOM 1892 CD2 TYR A 119 104.153 -5.434 10.242 1.00 0.00 C ATOM 1893 CE1 TYR A 119 102.811 -6.028 12.623 1.00 0.00 C ATOM 1894 CE2 TYR A 119 103.124 -4.599 10.691 1.00 0.00 C ATOM 1895 CZ TYR A 119 102.452 -4.897 11.880 1.00 0.00 C ATOM 1896 OH TYR A 119 101.433 -4.079 12.320 1.00 0.00 O ATOM 0 H TYR A 119 108.465 -8.203 10.271 1.00 0.00 H new ATOM 0 HA TYR A 119 106.860 -6.139 11.657 1.00 0.00 H new ATOM 0 HB2 TYR A 119 105.770 -7.340 9.439 1.00 0.00 H new ATOM 0 HB3 TYR A 119 105.332 -8.515 10.663 1.00 0.00 H new ATOM 0 HD1 TYR A 119 104.122 -7.732 12.747 1.00 0.00 H new ATOM 0 HD2 TYR A 119 104.671 -5.207 9.322 1.00 0.00 H new ATOM 0 HE1 TYR A 119 102.292 -6.258 13.542 1.00 0.00 H new ATOM 0 HE2 TYR A 119 102.849 -3.725 10.119 1.00 0.00 H new ATOM 0 HH TYR A 119 100.646 -4.623 12.533 1.00 0.00 H new ATOM 1906 N GLU A 120 107.264 -7.553 13.613 1.00 0.00 N ATOM 1907 CA GLU A 120 107.397 -8.369 14.856 1.00 0.00 C ATOM 1908 C GLU A 120 108.307 -9.570 14.630 1.00 0.00 C ATOM 1909 O GLU A 120 108.270 -10.534 15.369 1.00 0.00 O ATOM 1910 CB GLU A 120 106.015 -8.851 15.300 1.00 0.00 C ATOM 1911 CG GLU A 120 105.245 -7.689 15.930 1.00 0.00 C ATOM 1912 CD GLU A 120 103.776 -8.079 16.096 1.00 0.00 C ATOM 1913 OE1 GLU A 120 102.971 -7.195 16.337 1.00 0.00 O ATOM 1914 OE2 GLU A 120 103.480 -9.257 15.978 1.00 0.00 O ATOM 0 H GLU A 120 107.360 -6.547 13.753 1.00 0.00 H new ATOM 0 HA GLU A 120 107.841 -7.744 15.631 1.00 0.00 H new ATOM 0 HB2 GLU A 120 105.464 -9.245 14.446 1.00 0.00 H new ATOM 0 HB3 GLU A 120 106.116 -9.665 16.017 1.00 0.00 H new ATOM 0 HG2 GLU A 120 105.676 -7.436 16.898 1.00 0.00 H new ATOM 0 HG3 GLU A 120 105.328 -6.802 15.302 1.00 0.00 H new ATOM 1921 N GLY A 121 109.126 -9.522 13.627 1.00 0.00 N ATOM 1922 CA GLY A 121 110.046 -10.663 13.369 1.00 0.00 C ATOM 1923 C GLY A 121 109.649 -11.341 12.068 1.00 0.00 C ATOM 1924 O GLY A 121 109.878 -12.519 11.872 1.00 0.00 O ATOM 0 H GLY A 121 109.202 -8.744 12.972 1.00 0.00 H new ATOM 0 HA2 GLY A 121 111.075 -10.309 13.309 1.00 0.00 H new ATOM 0 HA3 GLY A 121 110.001 -11.375 14.193 1.00 0.00 H new ATOM 1928 N VAL A 122 109.075 -10.598 11.167 1.00 0.00 N ATOM 1929 CA VAL A 122 108.684 -11.178 9.868 1.00 0.00 C ATOM 1930 C VAL A 122 109.356 -10.357 8.800 1.00 0.00 C ATOM 1931 O VAL A 122 110.019 -9.383 9.085 1.00 0.00 O ATOM 1932 CB VAL A 122 107.171 -11.130 9.684 1.00 0.00 C ATOM 1933 CG1 VAL A 122 106.769 -9.873 8.911 1.00 0.00 C ATOM 1934 CG2 VAL A 122 106.716 -12.369 8.918 1.00 0.00 C ATOM 0 H VAL A 122 108.861 -9.607 11.281 1.00 0.00 H new ATOM 0 HA VAL A 122 108.987 -12.224 9.814 1.00 0.00 H new ATOM 0 HB VAL A 122 106.694 -11.106 10.664 1.00 0.00 H new ATOM 0 HG11 VAL A 122 105.686 -9.853 8.787 1.00 0.00 H new ATOM 0 HG12 VAL A 122 107.088 -8.989 9.463 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.246 -9.880 7.931 1.00 0.00 H new ATOM 0 HG21 VAL A 122 105.635 -12.338 8.785 1.00 0.00 H new ATOM 0 HG22 VAL A 122 107.201 -12.392 7.942 1.00 0.00 H new ATOM 0 HG23 VAL A 122 106.987 -13.263 9.479 1.00 0.00 H new ATOM 1944 N GLU A 123 109.204 -10.730 7.582 1.00 0.00 N ATOM 1945 CA GLU A 123 109.861 -9.938 6.524 1.00 0.00 C ATOM 1946 C GLU A 123 109.151 -10.106 5.178 1.00 0.00 C ATOM 1947 O GLU A 123 108.988 -11.202 4.680 1.00 0.00 O ATOM 1948 CB GLU A 123 111.314 -10.392 6.390 1.00 0.00 C ATOM 1949 CG GLU A 123 112.013 -9.539 5.336 1.00 0.00 C ATOM 1950 CD GLU A 123 113.477 -9.964 5.220 1.00 0.00 C ATOM 1951 OE1 GLU A 123 113.766 -11.113 5.512 1.00 0.00 O ATOM 1952 OE2 GLU A 123 114.287 -9.134 4.839 1.00 0.00 O ATOM 0 H GLU A 123 108.663 -11.536 7.268 1.00 0.00 H new ATOM 0 HA GLU A 123 109.814 -8.885 6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 123 111.826 -10.299 7.348 1.00 0.00 H new ATOM 0 HB3 GLU A 123 111.354 -11.444 6.108 1.00 0.00 H new ATOM 0 HG2 GLU A 123 111.514 -9.651 4.373 1.00 0.00 H new ATOM 0 HG3 GLU A 123 111.950 -8.485 5.607 1.00 0.00 H new ATOM 1959 N ALA A 124 108.757 -9.016 4.573 1.00 0.00 N ATOM 1960 CA ALA A 124 108.091 -9.090 3.241 1.00 0.00 C ATOM 1961 C ALA A 124 108.992 -8.393 2.222 1.00 0.00 C ATOM 1962 O ALA A 124 109.760 -7.521 2.574 1.00 0.00 O ATOM 1963 CB ALA A 124 106.732 -8.385 3.296 1.00 0.00 C ATOM 0 H ALA A 124 108.869 -8.074 4.947 1.00 0.00 H new ATOM 0 HA ALA A 124 107.930 -10.130 2.958 1.00 0.00 H new ATOM 0 HB1 ALA A 124 106.252 -8.443 2.319 1.00 0.00 H new ATOM 0 HB2 ALA A 124 106.100 -8.870 4.040 1.00 0.00 H new ATOM 0 HB3 ALA A 124 106.875 -7.339 3.568 1.00 0.00 H new ATOM 1969 N LYS A 125 108.929 -8.764 0.968 1.00 0.00 N ATOM 1970 CA LYS A 125 109.816 -8.098 -0.028 1.00 0.00 C ATOM 1971 C LYS A 125 109.036 -7.712 -1.283 1.00 0.00 C ATOM 1972 O LYS A 125 108.242 -8.473 -1.802 1.00 0.00 O ATOM 1973 CB LYS A 125 110.956 -9.045 -0.412 1.00 0.00 C ATOM 1974 CG LYS A 125 112.175 -8.231 -0.859 1.00 0.00 C ATOM 1975 CD LYS A 125 113.417 -9.126 -0.870 1.00 0.00 C ATOM 1976 CE LYS A 125 113.461 -9.930 -2.173 1.00 0.00 C ATOM 1977 NZ LYS A 125 114.332 -9.228 -3.158 1.00 0.00 N ATOM 0 H LYS A 125 108.312 -9.487 0.597 1.00 0.00 H new ATOM 0 HA LYS A 125 110.219 -7.191 0.423 1.00 0.00 H new ATOM 0 HB2 LYS A 125 111.219 -9.676 0.437 1.00 0.00 H new ATOM 0 HB3 LYS A 125 110.635 -9.709 -1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 125 112.004 -7.818 -1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 125 112.328 -7.388 -0.185 1.00 0.00 H new ATOM 0 HD2 LYS A 125 114.317 -8.518 -0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 125 113.398 -9.802 -0.015 1.00 0.00 H new ATOM 0 HE2 LYS A 125 113.844 -10.933 -1.982 1.00 0.00 H new ATOM 0 HE3 LYS A 125 112.455 -10.044 -2.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 114.542 -9.866 -3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 113.842 -8.382 -3.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 115.220 -8.945 -2.696 1.00 0.00 H new ATOM 1991 N ARG A 126 109.279 -6.531 -1.780 1.00 0.00 N ATOM 1992 CA ARG A 126 108.585 -6.068 -3.016 1.00 0.00 C ATOM 1993 C ARG A 126 109.636 -5.489 -3.967 1.00 0.00 C ATOM 1994 O ARG A 126 110.264 -4.491 -3.673 1.00 0.00 O ATOM 1995 CB ARG A 126 107.558 -4.987 -2.655 1.00 0.00 C ATOM 1996 CG ARG A 126 106.154 -5.453 -3.050 1.00 0.00 C ATOM 1997 CD ARG A 126 105.110 -4.532 -2.414 1.00 0.00 C ATOM 1998 NE ARG A 126 105.672 -3.158 -2.280 1.00 0.00 N ATOM 1999 CZ ARG A 126 104.927 -2.191 -1.817 1.00 0.00 C ATOM 2000 NH1 ARG A 126 105.420 -0.989 -1.696 1.00 0.00 N ATOM 2001 NH2 ARG A 126 103.690 -2.426 -1.475 1.00 0.00 N ATOM 0 H ARG A 126 109.935 -5.860 -1.379 1.00 0.00 H new ATOM 0 HA ARG A 126 108.066 -6.899 -3.493 1.00 0.00 H new ATOM 0 HB2 ARG A 126 107.595 -4.780 -1.585 1.00 0.00 H new ATOM 0 HB3 ARG A 126 107.800 -4.056 -3.168 1.00 0.00 H new ATOM 0 HG2 ARG A 126 106.049 -5.444 -4.135 1.00 0.00 H new ATOM 0 HG3 ARG A 126 105.995 -6.480 -2.722 1.00 0.00 H new ATOM 0 HD2 ARG A 126 104.209 -4.509 -3.027 1.00 0.00 H new ATOM 0 HD3 ARG A 126 104.821 -4.915 -1.435 1.00 0.00 H new ATOM 0 HE ARG A 126 106.638 -2.973 -2.550 1.00 0.00 H new ATOM 0 HH11 ARG A 126 106.387 -0.805 -1.963 1.00 0.00 H new ATOM 0 HH12 ARG A 126 104.838 -0.233 -1.334 1.00 0.00 H new ATOM 0 HH21 ARG A 126 103.305 -3.366 -1.569 1.00 0.00 H new ATOM 0 HH22 ARG A 126 103.108 -1.670 -1.113 1.00 0.00 H new ATOM 2015 N ILE A 127 109.852 -6.115 -5.092 1.00 0.00 N ATOM 2016 CA ILE A 127 110.884 -5.602 -6.038 1.00 0.00 C ATOM 2017 C ILE A 127 110.227 -4.971 -7.262 1.00 0.00 C ATOM 2018 O ILE A 127 109.470 -5.603 -7.971 1.00 0.00 O ATOM 2019 CB ILE A 127 111.770 -6.762 -6.500 1.00 0.00 C ATOM 2020 CG1 ILE A 127 112.274 -7.550 -5.282 1.00 0.00 C ATOM 2021 CG2 ILE A 127 112.964 -6.218 -7.296 1.00 0.00 C ATOM 2022 CD1 ILE A 127 112.215 -9.049 -5.587 1.00 0.00 C ATOM 0 H ILE A 127 109.361 -6.956 -5.396 1.00 0.00 H new ATOM 0 HA ILE A 127 111.480 -4.848 -5.524 1.00 0.00 H new ATOM 0 HB ILE A 127 111.186 -7.425 -7.138 1.00 0.00 H new ATOM 0 HG12 ILE A 127 113.296 -7.256 -5.042 1.00 0.00 H new ATOM 0 HG13 ILE A 127 111.663 -7.321 -4.409 1.00 0.00 H new ATOM 0 HG21 ILE A 127 113.592 -7.047 -7.623 1.00 0.00 H new ATOM 0 HG22 ILE A 127 112.602 -5.672 -8.167 1.00 0.00 H new ATOM 0 HG23 ILE A 127 113.548 -5.548 -6.664 1.00 0.00 H new ATOM 0 HD11 ILE A 127 112.572 -9.610 -4.724 1.00 0.00 H new ATOM 0 HD12 ILE A 127 111.186 -9.336 -5.806 1.00 0.00 H new ATOM 0 HD13 ILE A 127 112.844 -9.270 -6.449 1.00 0.00 H new ATOM 2034 N PHE A 128 110.531 -3.729 -7.529 1.00 0.00 N ATOM 2035 CA PHE A 128 109.946 -3.059 -8.726 1.00 0.00 C ATOM 2036 C PHE A 128 110.993 -3.043 -9.843 1.00 0.00 C ATOM 2037 O PHE A 128 112.119 -3.454 -9.654 1.00 0.00 O ATOM 2038 CB PHE A 128 109.555 -1.608 -8.393 1.00 0.00 C ATOM 2039 CG PHE A 128 108.711 -1.542 -7.141 1.00 0.00 C ATOM 2040 CD1 PHE A 128 108.077 -2.685 -6.673 1.00 0.00 C ATOM 2041 CD2 PHE A 128 108.560 -0.329 -6.457 1.00 0.00 C ATOM 2042 CE1 PHE A 128 107.285 -2.632 -5.519 1.00 0.00 C ATOM 2043 CE2 PHE A 128 107.771 -0.270 -5.302 1.00 0.00 C ATOM 2044 CZ PHE A 128 107.132 -1.423 -4.833 1.00 0.00 C ATOM 0 H PHE A 128 111.158 -3.150 -6.971 1.00 0.00 H new ATOM 0 HA PHE A 128 109.056 -3.605 -9.039 1.00 0.00 H new ATOM 0 HB2 PHE A 128 110.455 -1.008 -8.260 1.00 0.00 H new ATOM 0 HB3 PHE A 128 109.005 -1.176 -9.229 1.00 0.00 H new ATOM 0 HD1 PHE A 128 108.195 -3.620 -7.201 1.00 0.00 H new ATOM 0 HD2 PHE A 128 109.052 0.561 -6.821 1.00 0.00 H new ATOM 0 HE1 PHE A 128 106.793 -3.524 -5.159 1.00 0.00 H new ATOM 0 HE2 PHE A 128 107.656 0.665 -4.773 1.00 0.00 H new ATOM 0 HZ PHE A 128 106.522 -1.379 -3.943 1.00 0.00 H new ATOM 2054 N LYS A 129 110.629 -2.563 -11.002 1.00 0.00 N ATOM 2055 CA LYS A 129 111.598 -2.517 -12.134 1.00 0.00 C ATOM 2056 C LYS A 129 111.051 -1.597 -13.229 1.00 0.00 C ATOM 2057 O LYS A 129 109.863 -1.366 -13.323 1.00 0.00 O ATOM 2058 CB LYS A 129 111.791 -3.925 -12.698 1.00 0.00 C ATOM 2059 CG LYS A 129 112.570 -3.847 -14.011 1.00 0.00 C ATOM 2060 CD LYS A 129 113.267 -5.183 -14.273 1.00 0.00 C ATOM 2061 CE LYS A 129 113.721 -5.246 -15.732 1.00 0.00 C ATOM 2062 NZ LYS A 129 114.808 -4.253 -15.958 1.00 0.00 N ATOM 0 H LYS A 129 109.700 -2.200 -11.214 1.00 0.00 H new ATOM 0 HA LYS A 129 112.556 -2.135 -11.781 1.00 0.00 H new ATOM 0 HB2 LYS A 129 112.328 -4.545 -11.980 1.00 0.00 H new ATOM 0 HB3 LYS A 129 110.823 -4.397 -12.865 1.00 0.00 H new ATOM 0 HG2 LYS A 129 111.894 -3.610 -14.833 1.00 0.00 H new ATOM 0 HG3 LYS A 129 113.306 -3.045 -13.962 1.00 0.00 H new ATOM 0 HD2 LYS A 129 114.125 -5.294 -13.609 1.00 0.00 H new ATOM 0 HD3 LYS A 129 112.588 -6.008 -14.057 1.00 0.00 H new ATOM 0 HE2 LYS A 129 114.075 -6.249 -15.971 1.00 0.00 H new ATOM 0 HE3 LYS A 129 112.881 -5.038 -16.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 115.310 -4.482 -16.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 114.398 -3.300 -16.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 115.476 -4.283 -15.162 1.00 0.00 H new ATOM 2076 N LYS A 130 111.912 -1.066 -14.053 1.00 0.00 N ATOM 2077 CA LYS A 130 111.444 -0.154 -15.136 1.00 0.00 C ATOM 2078 C LYS A 130 110.256 -0.786 -15.861 1.00 0.00 C ATOM 2079 O LYS A 130 110.306 -1.924 -16.284 1.00 0.00 O ATOM 2080 CB LYS A 130 112.583 0.082 -16.131 1.00 0.00 C ATOM 2081 CG LYS A 130 112.858 -1.207 -16.908 1.00 0.00 C ATOM 2082 CD LYS A 130 114.237 -1.121 -17.566 1.00 0.00 C ATOM 2083 CE LYS A 130 114.346 -2.179 -18.666 1.00 0.00 C ATOM 2084 NZ LYS A 130 115.779 -2.380 -19.021 1.00 0.00 N ATOM 0 H LYS A 130 112.919 -1.224 -14.024 1.00 0.00 H new ATOM 0 HA LYS A 130 111.137 0.797 -14.701 1.00 0.00 H new ATOM 0 HB2 LYS A 130 112.318 0.885 -16.819 1.00 0.00 H new ATOM 0 HB3 LYS A 130 113.482 0.399 -15.602 1.00 0.00 H new ATOM 0 HG2 LYS A 130 112.816 -2.065 -16.237 1.00 0.00 H new ATOM 0 HG3 LYS A 130 112.090 -1.358 -17.667 1.00 0.00 H new ATOM 0 HD2 LYS A 130 114.389 -0.127 -17.987 1.00 0.00 H new ATOM 0 HD3 LYS A 130 115.017 -1.275 -16.821 1.00 0.00 H new ATOM 0 HE2 LYS A 130 113.909 -3.118 -18.327 1.00 0.00 H new ATOM 0 HE3 LYS A 130 113.783 -1.865 -19.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 115.854 -3.099 -19.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 116.181 -1.483 -19.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 116.303 -2.698 -18.181 1.00 0.00 H new ATOM 2098 N ASP A 131 109.185 -0.054 -16.009 1.00 0.00 N ATOM 2099 CA ASP A 131 107.992 -0.612 -16.708 1.00 0.00 C ATOM 2100 C ASP A 131 108.296 -0.753 -18.202 1.00 0.00 C ATOM 2101 O ASP A 131 108.897 0.155 -18.751 1.00 0.00 O ATOM 2102 CB ASP A 131 106.801 0.329 -16.517 1.00 0.00 C ATOM 2103 CG ASP A 131 107.279 1.780 -16.586 1.00 0.00 C ATOM 2104 OD1 ASP A 131 106.808 2.498 -17.453 1.00 0.00 O ATOM 2105 OD2 ASP A 131 108.105 2.151 -15.769 1.00 0.00 O ATOM 0 H ASP A 131 109.085 0.905 -15.677 1.00 0.00 H new ATOM 0 HA ASP A 131 107.752 -1.590 -16.291 1.00 0.00 H new ATOM 0 HB2 ASP A 131 106.052 0.145 -17.287 1.00 0.00 H new ATOM 0 HB3 ASP A 131 106.324 0.138 -15.556 1.00 0.00 H new TER 2110 ASP A 131