USER MOD reduce.3.24.130724 H: found=0, std=0, add=1039, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1039 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 96 LYS NZ :NH3+ 161:sc= -0.0338 (180deg=-0.481) USER MOD Set 1.2: A 98 GLN :FLIP amide:sc= -0.178 F(o=-3!,f=-0.21) USER MOD Set 2.1: A 27 MET CE :methyl -163:sc= -3.96 (180deg=-3.98!) USER MOD Set 2.2: A 41 ASN :FLIP amide:sc= -5.99 F(o=-21!,f=-14) USER MOD Set 2.3: A 93 TYR OH : rot 45:sc= -3.77! USER MOD Set 3.1: A 17 GLN :FLIP amide:sc= -2.34! C(o=-16!,f=-5.5!) USER MOD Set 3.2: A 45 HIS : no HD1:sc= -1.68 K(o=-5.5,f=-6.1) USER MOD Set 3.3: A 79 THR OG1 : rot 88:sc= -1.49! USER MOD Set 4.1: A 57 THR OG1 : rot 118:sc= -0.176 USER MOD Set 4.2: A 71 GLN : amide:sc= -7.03! C(o=-8.2!,f=-11!) USER MOD Set 4.3: A 73 HIS : no HE2:sc= -1.01 K(o=-8.2,f=-13!) USER MOD Set 5.1: A 28 LYS NZ :NH3+ -145:sc= 0.296 (180deg=0.927) USER MOD Set 5.2: A 31 ASN :FLIP amide:sc= -5.1! C(o=-6.8!,f=-4.8!) USER MOD Set 6.1: A 15 HIS : no HE2:sc= -7.14! C(o=-7.4!,f=-8!) USER MOD Set 6.2: A 42 THR OG1 : rot 180:sc= -0.262 USER MOD Set 7.1: A 9 GLN : amide:sc= -7.17! C(o=-15!,f=-15!) USER MOD Set 7.2: A 12 LYS NZ :NH3+ -139:sc= -7.56! (180deg=-4.83!) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -102:sc= 0.148 (180deg=-1.66!) USER MOD Single : A 1 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.12) USER MOD Single : A 3 LYS NZ :NH3+ -150:sc= -0.154 (180deg=-0.814) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -110:sc= -2.83! USER MOD Single : A 7 SER OG : rot 170:sc= -0.741 USER MOD Single : A 8 SER OG : rot 11:sc= -10.7! USER MOD Single : A 14 GLN :FLIP amide:sc= -9.61! C(o=-14!,f=-9.6!) USER MOD Single : A 16 MET CE :methyl -114:sc= -2.02 (180deg=-5.25!) USER MOD Single : A 19 SER OG : rot -98:sc= -0.442! USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -5.31! C(o=-5.3!,f=-10!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.14) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -9.48! C(o=-9.5!,f=-9.4!) USER MOD Single : A 34 THR OG1 : rot -72:sc= 0.108! USER MOD Single : A 35 LYS NZ :NH3+ 155:sc= -0.0863 (180deg=-0.642) USER MOD Single : A 38 LYS NZ :NH3+ 142:sc= -0.598 (180deg=-2.51!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 67:sc= 0.0472 USER MOD Single : A 56 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -161:sc= -0.0646 (180deg=-0.556) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.813 F(o=-2.1,f=-0.81) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -1.32 K(o=-1.3,f=-4!) USER MOD Single : A 70 HIS : no HD1:sc= -15.8! C(o=-16!,f=-21!) USER MOD Single : A 72 SER OG : rot -142:sc= 1.09 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 148:sc= -0.12 (180deg=-0.226) USER MOD Single : A 82 LYS NZ :NH3+ -143:sc=-0.00443 (180deg=-0.178) USER MOD Single : A 84 THR OG1 : rot -59:sc= -0.754! USER MOD Single : A 85 SER OG : rot 53:sc= 0.626 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.947 USER MOD Single : A 90 ASN : amide:sc= -0.86 X(o=-0.86,f=-0.42) USER MOD Single : A 94 LYS NZ :NH3+ 150:sc= -0.184 (180deg=-0.981) USER MOD Single : A 99 ASN : amide:sc= -1.59! C(o=-1.6!,f=-6.4!) USER MOD Single : A 100 LYS NZ :NH3+ 142:sc= -3.45! (180deg=-8.09!) USER MOD Single : A 101 SER OG : rot 180:sc= -2.8! USER MOD Single : A 102 TYR OH : rot 144:sc= -2.32! USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 0.0665 X(o=0.067,f=-0.0082) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.184) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0.068) USER MOD Single : A 116 GLN : amide:sc= -0.0943 K(o=-0.094,f=-1.6!) USER MOD Single : A 118 HIS : no HD1:sc= -0.366 X(o=-0.37,f=-0.12) USER MOD Single : A 123 HIS : no HE2:sc= -5.3! C(o=-5.3!,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 95.498 15.490 13.588 1.00 0.00 N ATOM 2 CA MET A 0 96.824 15.891 13.037 1.00 0.00 C ATOM 3 C MET A 0 97.936 15.208 13.836 1.00 0.00 C ATOM 4 O MET A 0 97.720 14.723 14.929 1.00 0.00 O ATOM 5 CB MET A 0 96.981 17.410 13.140 1.00 0.00 C ATOM 6 CG MET A 0 96.546 17.879 14.530 1.00 0.00 C ATOM 7 SD MET A 0 94.739 17.931 14.612 1.00 0.00 S ATOM 8 CE MET A 0 94.601 18.230 16.391 1.00 0.00 C ATOM 0 H1 MET A 0 95.071 14.767 12.974 1.00 0.00 H new ATOM 0 H2 MET A 0 95.623 15.102 14.545 1.00 0.00 H new ATOM 0 H3 MET A 0 94.874 16.321 13.630 1.00 0.00 H new ATOM 0 HA MET A 0 96.890 15.589 11.992 1.00 0.00 H new ATOM 0 HB2 MET A 0 98.018 17.691 12.959 1.00 0.00 H new ATOM 0 HB3 MET A 0 96.379 17.900 12.375 1.00 0.00 H new ATOM 0 HG2 MET A 0 96.936 17.204 15.292 1.00 0.00 H new ATOM 0 HG3 MET A 0 96.959 18.866 14.738 1.00 0.00 H new ATOM 0 HE1 MET A 0 93.549 18.298 16.668 1.00 0.00 H new ATOM 0 HE2 MET A 0 95.067 17.408 16.935 1.00 0.00 H new ATOM 0 HE3 MET A 0 95.104 19.164 16.643 1.00 0.00 H new ATOM 20 N LYS A 1 99.124 15.166 13.299 1.00 0.00 N ATOM 21 CA LYS A 1 100.249 14.514 14.027 1.00 0.00 C ATOM 22 C LYS A 1 99.808 13.131 14.516 1.00 0.00 C ATOM 23 O LYS A 1 99.642 12.907 15.698 1.00 0.00 O ATOM 24 CB LYS A 1 100.648 15.377 15.227 1.00 0.00 C ATOM 25 CG LYS A 1 100.687 16.848 14.808 1.00 0.00 C ATOM 26 CD LYS A 1 101.617 17.014 13.604 1.00 0.00 C ATOM 27 CE LYS A 1 101.963 18.494 13.426 1.00 0.00 C ATOM 28 NZ LYS A 1 100.725 19.259 13.108 1.00 0.00 N ATOM 0 H LYS A 1 99.365 15.555 12.387 1.00 0.00 H new ATOM 0 HA LYS A 1 101.102 14.407 13.357 1.00 0.00 H new ATOM 0 HB2 LYS A 1 99.936 15.239 16.041 1.00 0.00 H new ATOM 0 HB3 LYS A 1 101.624 15.069 15.602 1.00 0.00 H new ATOM 0 HG2 LYS A 1 99.684 17.191 14.556 1.00 0.00 H new ATOM 0 HG3 LYS A 1 101.035 17.464 15.637 1.00 0.00 H new ATOM 0 HD2 LYS A 1 102.527 16.432 13.751 1.00 0.00 H new ATOM 0 HD3 LYS A 1 101.136 16.631 12.704 1.00 0.00 H new ATOM 0 HE2 LYS A 1 102.420 18.883 14.336 1.00 0.00 H new ATOM 0 HE3 LYS A 1 102.693 18.614 12.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 100.980 20.215 12.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 100.200 18.771 12.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 100.130 19.325 13.958 1.00 0.00 H new ATOM 42 N PRO A 2 99.620 12.214 13.605 1.00 0.00 N ATOM 43 CA PRO A 2 99.190 10.822 13.934 1.00 0.00 C ATOM 44 C PRO A 2 100.087 10.169 14.990 1.00 0.00 C ATOM 45 O PRO A 2 100.752 10.836 15.757 1.00 0.00 O ATOM 46 CB PRO A 2 99.309 10.075 12.600 1.00 0.00 C ATOM 47 CG PRO A 2 99.210 11.130 11.547 1.00 0.00 C ATOM 48 CD PRO A 2 99.796 12.405 12.157 1.00 0.00 C ATOM 0 HA PRO A 2 98.186 10.802 14.357 1.00 0.00 H new ATOM 0 HB2 PRO A 2 100.256 9.539 12.532 1.00 0.00 H new ATOM 0 HB3 PRO A 2 98.516 9.335 12.491 1.00 0.00 H new ATOM 0 HG2 PRO A 2 99.761 10.839 10.652 1.00 0.00 H new ATOM 0 HG3 PRO A 2 98.173 11.284 11.247 1.00 0.00 H new ATOM 0 HD2 PRO A 2 100.847 12.528 11.894 1.00 0.00 H new ATOM 0 HD3 PRO A 2 99.273 13.294 11.804 1.00 0.00 H new ATOM 56 N LYS A 3 100.113 8.867 15.025 1.00 0.00 N ATOM 57 CA LYS A 3 100.966 8.158 16.014 1.00 0.00 C ATOM 58 C LYS A 3 100.932 6.664 15.694 1.00 0.00 C ATOM 59 O LYS A 3 99.883 6.081 15.511 1.00 0.00 O ATOM 60 CB LYS A 3 100.441 8.413 17.435 1.00 0.00 C ATOM 61 CG LYS A 3 99.345 7.404 17.781 1.00 0.00 C ATOM 62 CD LYS A 3 98.592 7.873 19.028 1.00 0.00 C ATOM 63 CE LYS A 3 97.528 6.840 19.402 1.00 0.00 C ATOM 64 NZ LYS A 3 96.702 6.521 18.202 1.00 0.00 N ATOM 0 H LYS A 3 99.576 8.260 14.406 1.00 0.00 H new ATOM 0 HA LYS A 3 101.991 8.524 15.959 1.00 0.00 H new ATOM 0 HB2 LYS A 3 101.258 8.334 18.152 1.00 0.00 H new ATOM 0 HB3 LYS A 3 100.049 9.427 17.509 1.00 0.00 H new ATOM 0 HG2 LYS A 3 98.654 7.300 16.944 1.00 0.00 H new ATOM 0 HG3 LYS A 3 99.783 6.421 17.956 1.00 0.00 H new ATOM 0 HD2 LYS A 3 99.288 8.010 19.856 1.00 0.00 H new ATOM 0 HD3 LYS A 3 98.125 8.840 18.841 1.00 0.00 H new ATOM 0 HE2 LYS A 3 98.002 5.935 19.782 1.00 0.00 H new ATOM 0 HE3 LYS A 3 96.895 7.227 20.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 95.740 6.264 18.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 96.660 7.352 17.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 97.129 5.724 17.688 1.00 0.00 H new ATOM 78 N GLY A 4 102.068 6.043 15.600 1.00 0.00 N ATOM 79 CA GLY A 4 102.085 4.595 15.265 1.00 0.00 C ATOM 80 C GLY A 4 101.682 4.440 13.800 1.00 0.00 C ATOM 81 O GLY A 4 101.431 3.351 13.322 1.00 0.00 O ATOM 0 H GLY A 4 102.983 6.471 15.740 1.00 0.00 H new ATOM 0 HA2 GLY A 4 103.078 4.178 15.432 1.00 0.00 H new ATOM 0 HA3 GLY A 4 101.396 4.048 15.909 1.00 0.00 H new ATOM 85 N MET A 5 101.610 5.536 13.089 1.00 0.00 N ATOM 86 CA MET A 5 101.215 5.483 11.654 1.00 0.00 C ATOM 87 C MET A 5 102.102 6.424 10.838 1.00 0.00 C ATOM 88 O MET A 5 101.631 7.124 9.964 1.00 0.00 O ATOM 89 CB MET A 5 99.758 5.917 11.520 1.00 0.00 C ATOM 90 CG MET A 5 98.898 5.044 12.430 1.00 0.00 C ATOM 91 SD MET A 5 97.148 5.407 12.144 1.00 0.00 S ATOM 92 CE MET A 5 96.490 3.828 12.732 1.00 0.00 C ATOM 0 H MET A 5 101.810 6.470 13.446 1.00 0.00 H new ATOM 0 HA MET A 5 101.334 4.465 11.282 1.00 0.00 H new ATOM 0 HB2 MET A 5 99.651 6.967 11.793 1.00 0.00 H new ATOM 0 HB3 MET A 5 99.430 5.821 10.485 1.00 0.00 H new ATOM 0 HG2 MET A 5 99.098 3.990 12.235 1.00 0.00 H new ATOM 0 HG3 MET A 5 99.152 5.228 13.474 1.00 0.00 H new ATOM 0 HE1 MET A 5 95.404 3.831 12.644 1.00 0.00 H new ATOM 0 HE2 MET A 5 96.900 3.016 12.131 1.00 0.00 H new ATOM 0 HE3 MET A 5 96.769 3.683 13.776 1.00 0.00 H new ATOM 102 N THR A 6 103.382 6.447 11.106 1.00 0.00 N ATOM 103 CA THR A 6 104.280 7.345 10.326 1.00 0.00 C ATOM 104 C THR A 6 103.955 7.193 8.834 1.00 0.00 C ATOM 105 O THR A 6 103.360 6.223 8.423 1.00 0.00 O ATOM 106 CB THR A 6 105.752 6.991 10.605 1.00 0.00 C ATOM 107 OG1 THR A 6 106.197 7.727 11.736 1.00 0.00 O ATOM 108 CG2 THR A 6 106.625 7.353 9.402 1.00 0.00 C ATOM 0 H THR A 6 103.840 5.887 11.825 1.00 0.00 H new ATOM 0 HA THR A 6 104.122 8.382 10.624 1.00 0.00 H new ATOM 0 HB THR A 6 105.831 5.920 10.792 1.00 0.00 H new ATOM 0 HG1 THR A 6 106.840 8.409 11.450 1.00 0.00 H new ATOM 0 HG21 THR A 6 107.663 7.097 9.615 1.00 0.00 H new ATOM 0 HG22 THR A 6 106.287 6.798 8.527 1.00 0.00 H new ATOM 0 HG23 THR A 6 106.549 8.422 9.206 1.00 0.00 H new ATOM 116 N SER A 7 104.324 8.143 8.020 1.00 0.00 N ATOM 117 CA SER A 7 104.012 8.035 6.564 1.00 0.00 C ATOM 118 C SER A 7 104.392 6.640 6.056 1.00 0.00 C ATOM 119 O SER A 7 103.567 5.905 5.552 1.00 0.00 O ATOM 120 CB SER A 7 104.805 9.091 5.795 1.00 0.00 C ATOM 121 OG SER A 7 104.250 9.239 4.494 1.00 0.00 O ATOM 0 H SER A 7 104.826 8.987 8.297 1.00 0.00 H new ATOM 0 HA SER A 7 102.945 8.196 6.410 1.00 0.00 H new ATOM 0 HB2 SER A 7 104.776 10.043 6.326 1.00 0.00 H new ATOM 0 HB3 SER A 7 105.852 8.797 5.725 1.00 0.00 H new ATOM 0 HG SER A 7 104.647 10.021 4.056 1.00 0.00 H new ATOM 127 N SER A 8 105.637 6.273 6.186 1.00 0.00 N ATOM 128 CA SER A 8 106.080 4.929 5.714 1.00 0.00 C ATOM 129 C SER A 8 105.462 3.842 6.581 1.00 0.00 C ATOM 130 O SER A 8 105.223 2.745 6.133 1.00 0.00 O ATOM 131 CB SER A 8 107.597 4.837 5.807 1.00 0.00 C ATOM 132 OG SER A 8 108.178 5.797 4.937 1.00 0.00 O ATOM 0 H SER A 8 106.370 6.848 6.601 1.00 0.00 H new ATOM 0 HA SER A 8 105.760 4.791 4.681 1.00 0.00 H new ATOM 0 HB2 SER A 8 107.922 5.014 6.832 1.00 0.00 H new ATOM 0 HB3 SER A 8 107.930 3.835 5.536 1.00 0.00 H new ATOM 0 HG SER A 8 107.484 6.408 4.614 1.00 0.00 H new ATOM 138 N GLN A 9 105.209 4.135 7.816 1.00 0.00 N ATOM 139 CA GLN A 9 104.606 3.114 8.712 1.00 0.00 C ATOM 140 C GLN A 9 103.214 2.741 8.180 1.00 0.00 C ATOM 141 O GLN A 9 102.900 1.586 7.977 1.00 0.00 O ATOM 142 CB GLN A 9 104.510 3.726 10.111 1.00 0.00 C ATOM 143 CG GLN A 9 103.449 3.021 10.952 1.00 0.00 C ATOM 144 CD GLN A 9 103.856 1.564 11.180 1.00 0.00 C ATOM 145 OE1 GLN A 9 103.052 0.755 11.600 1.00 0.00 O ATOM 146 NE2 GLN A 9 105.079 1.192 10.918 1.00 0.00 N ATOM 0 H GLN A 9 105.393 5.040 8.250 1.00 0.00 H new ATOM 0 HA GLN A 9 105.211 2.208 8.749 1.00 0.00 H new ATOM 0 HB2 GLN A 9 105.477 3.656 10.608 1.00 0.00 H new ATOM 0 HB3 GLN A 9 104.269 4.786 10.031 1.00 0.00 H new ATOM 0 HG2 GLN A 9 103.332 3.530 11.909 1.00 0.00 H new ATOM 0 HG3 GLN A 9 102.484 3.064 10.448 1.00 0.00 H new ATOM 0 HE21 GLN A 9 105.754 1.871 10.565 1.00 0.00 H new ATOM 0 HE22 GLN A 9 105.360 0.223 11.066 1.00 0.00 H new ATOM 155 N TRP A 10 102.383 3.714 7.938 1.00 0.00 N ATOM 156 CA TRP A 10 101.023 3.421 7.411 1.00 0.00 C ATOM 157 C TRP A 10 101.160 2.736 6.050 1.00 0.00 C ATOM 158 O TRP A 10 100.383 1.876 5.685 1.00 0.00 O ATOM 159 CB TRP A 10 100.246 4.745 7.285 1.00 0.00 C ATOM 160 CG TRP A 10 99.320 4.724 6.105 1.00 0.00 C ATOM 161 CD1 TRP A 10 99.245 5.699 5.170 1.00 0.00 C ATOM 162 CD2 TRP A 10 98.338 3.715 5.721 1.00 0.00 C ATOM 163 NE1 TRP A 10 98.284 5.353 4.237 1.00 0.00 N ATOM 164 CE2 TRP A 10 97.698 4.140 4.532 1.00 0.00 C ATOM 165 CE3 TRP A 10 97.945 2.485 6.279 1.00 0.00 C ATOM 166 CZ2 TRP A 10 96.705 3.373 3.921 1.00 0.00 C ATOM 167 CZ3 TRP A 10 96.948 1.711 5.665 1.00 0.00 C ATOM 168 CH2 TRP A 10 96.331 2.155 4.490 1.00 0.00 C ATOM 0 H TRP A 10 102.588 4.703 8.083 1.00 0.00 H new ATOM 0 HA TRP A 10 100.479 2.758 8.083 1.00 0.00 H new ATOM 0 HB2 TRP A 10 99.674 4.921 8.196 1.00 0.00 H new ATOM 0 HB3 TRP A 10 100.948 5.573 7.184 1.00 0.00 H new ATOM 0 HD1 TRP A 10 99.839 6.601 5.155 1.00 0.00 H new ATOM 0 HE1 TRP A 10 98.039 5.925 3.429 1.00 0.00 H new ATOM 0 HE3 TRP A 10 98.414 2.134 7.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 96.230 3.719 3.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 96.655 0.768 6.102 1.00 0.00 H new ATOM 0 HH2 TRP A 10 95.565 1.554 4.023 1.00 0.00 H new ATOM 179 N PHE A 11 102.151 3.113 5.303 1.00 0.00 N ATOM 180 CA PHE A 11 102.353 2.498 3.959 1.00 0.00 C ATOM 181 C PHE A 11 103.065 1.153 4.087 1.00 0.00 C ATOM 182 O PHE A 11 103.205 0.428 3.128 1.00 0.00 O ATOM 183 CB PHE A 11 103.160 3.444 3.062 1.00 0.00 C ATOM 184 CG PHE A 11 102.227 4.028 2.030 1.00 0.00 C ATOM 185 CD1 PHE A 11 101.385 5.085 2.382 1.00 0.00 C ATOM 186 CD2 PHE A 11 102.183 3.495 0.737 1.00 0.00 C ATOM 187 CE1 PHE A 11 100.496 5.613 1.444 1.00 0.00 C ATOM 188 CE2 PHE A 11 101.297 4.026 -0.205 1.00 0.00 C ATOM 189 CZ PHE A 11 100.450 5.084 0.149 1.00 0.00 C ATOM 0 H PHE A 11 102.836 3.823 5.561 1.00 0.00 H new ATOM 0 HA PHE A 11 101.377 2.329 3.504 1.00 0.00 H new ATOM 0 HB2 PHE A 11 103.613 4.237 3.657 1.00 0.00 H new ATOM 0 HB3 PHE A 11 103.974 2.905 2.577 1.00 0.00 H new ATOM 0 HD1 PHE A 11 101.422 5.494 3.381 1.00 0.00 H new ATOM 0 HD2 PHE A 11 102.832 2.675 0.467 1.00 0.00 H new ATOM 0 HE1 PHE A 11 99.844 6.429 1.718 1.00 0.00 H new ATOM 0 HE2 PHE A 11 101.266 3.621 -1.206 1.00 0.00 H new ATOM 0 HZ PHE A 11 99.762 5.491 -0.577 1.00 0.00 H new ATOM 199 N LYS A 12 103.509 0.802 5.255 1.00 0.00 N ATOM 200 CA LYS A 12 104.185 -0.512 5.410 1.00 0.00 C ATOM 201 C LYS A 12 103.107 -1.543 5.698 1.00 0.00 C ATOM 202 O LYS A 12 103.202 -2.706 5.364 1.00 0.00 O ATOM 203 CB LYS A 12 105.220 -0.460 6.551 1.00 0.00 C ATOM 204 CG LYS A 12 104.552 -0.694 7.919 1.00 0.00 C ATOM 205 CD LYS A 12 104.483 -2.197 8.245 1.00 0.00 C ATOM 206 CE LYS A 12 104.628 -2.403 9.755 1.00 0.00 C ATOM 207 NZ LYS A 12 103.881 -1.333 10.476 1.00 0.00 N ATOM 0 H LYS A 12 103.435 1.362 6.104 1.00 0.00 H new ATOM 0 HA LYS A 12 104.727 -0.775 4.502 1.00 0.00 H new ATOM 0 HB2 LYS A 12 105.988 -1.216 6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 12 105.720 0.509 6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 12 105.113 -0.174 8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 12 103.547 -0.272 7.915 1.00 0.00 H new ATOM 0 HD2 LYS A 12 103.535 -2.611 7.901 1.00 0.00 H new ATOM 0 HD3 LYS A 12 105.274 -2.730 7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 12 104.244 -3.383 10.038 1.00 0.00 H new ATOM 0 HE3 LYS A 12 105.681 -2.380 10.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 104.440 -1.009 11.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 103.711 -0.534 9.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 102.970 -1.709 10.808 1.00 0.00 H new ATOM 221 N ILE A 13 102.061 -1.090 6.288 1.00 0.00 N ATOM 222 CA ILE A 13 100.918 -1.980 6.596 1.00 0.00 C ATOM 223 C ILE A 13 100.001 -1.979 5.381 1.00 0.00 C ATOM 224 O ILE A 13 99.178 -2.854 5.200 1.00 0.00 O ATOM 225 CB ILE A 13 100.171 -1.455 7.836 1.00 0.00 C ATOM 226 CG1 ILE A 13 100.103 0.082 7.788 1.00 0.00 C ATOM 227 CG2 ILE A 13 100.910 -1.908 9.101 1.00 0.00 C ATOM 228 CD1 ILE A 13 99.848 0.668 9.187 1.00 0.00 C ATOM 0 H ILE A 13 101.939 -0.120 6.580 1.00 0.00 H new ATOM 0 HA ILE A 13 101.257 -2.993 6.812 1.00 0.00 H new ATOM 0 HB ILE A 13 99.156 -1.853 7.849 1.00 0.00 H new ATOM 0 HG12 ILE A 13 101.037 0.478 7.389 1.00 0.00 H new ATOM 0 HG13 ILE A 13 99.309 0.393 7.109 1.00 0.00 H new ATOM 0 HG21 ILE A 13 100.384 -1.538 9.981 1.00 0.00 H new ATOM 0 HG22 ILE A 13 100.947 -2.997 9.131 1.00 0.00 H new ATOM 0 HG23 ILE A 13 101.925 -1.511 9.091 1.00 0.00 H new ATOM 0 HD11 ILE A 13 99.805 1.755 9.124 1.00 0.00 H new ATOM 0 HD12 ILE A 13 98.902 0.289 9.573 1.00 0.00 H new ATOM 0 HD13 ILE A 13 100.657 0.376 9.857 1.00 0.00 H new ATOM 240 N GLN A 14 100.145 -0.982 4.547 1.00 0.00 N ATOM 241 CA GLN A 14 99.292 -0.886 3.328 1.00 0.00 C ATOM 242 C GLN A 14 100.090 -1.287 2.076 1.00 0.00 C ATOM 243 O GLN A 14 99.523 -1.508 1.024 1.00 0.00 O ATOM 244 CB GLN A 14 98.806 0.574 3.180 1.00 0.00 C ATOM 245 CG GLN A 14 99.299 1.171 1.866 1.00 0.00 C ATOM 246 CD GLN A 14 98.804 2.612 1.739 1.00 0.00 C ATOM 247 OE1 GLN A 14 99.270 3.522 2.547 1.00 0.00 O flip ATOM 248 NE2 GLN A 14 97.983 2.913 0.895 1.00 0.00 N flip ATOM 0 H GLN A 14 100.821 -0.227 4.660 1.00 0.00 H new ATOM 0 HA GLN A 14 98.443 -1.563 3.429 1.00 0.00 H new ATOM 0 HB2 GLN A 14 97.717 0.606 3.215 1.00 0.00 H new ATOM 0 HB3 GLN A 14 99.169 1.171 4.016 1.00 0.00 H new ATOM 0 HG2 GLN A 14 100.388 1.145 1.829 1.00 0.00 H new ATOM 0 HG3 GLN A 14 98.938 0.577 1.027 1.00 0.00 H new ATOM 0 HE21 GLN A 14 97.618 2.201 0.262 1.00 0.00 H new ATOM 0 HE22 GLN A 14 97.659 3.877 0.819 1.00 0.00 H new ATOM 257 N HIS A 15 101.396 -1.309 2.148 1.00 0.00 N ATOM 258 CA HIS A 15 102.189 -1.600 0.912 1.00 0.00 C ATOM 259 C HIS A 15 103.488 -2.371 1.201 1.00 0.00 C ATOM 260 O HIS A 15 104.352 -2.443 0.351 1.00 0.00 O ATOM 261 CB HIS A 15 102.570 -0.250 0.299 1.00 0.00 C ATOM 262 CG HIS A 15 101.739 0.040 -0.922 1.00 0.00 C ATOM 263 ND1 HIS A 15 101.929 -0.627 -2.122 1.00 0.00 N ATOM 264 CD2 HIS A 15 100.724 0.937 -1.148 1.00 0.00 C ATOM 265 CE1 HIS A 15 101.048 -0.126 -3.007 1.00 0.00 C ATOM 266 NE2 HIS A 15 100.293 0.827 -2.463 1.00 0.00 N ATOM 0 H HIS A 15 101.942 -1.141 2.993 1.00 0.00 H new ATOM 0 HA HIS A 15 101.582 -2.219 0.252 1.00 0.00 H new ATOM 0 HB2 HIS A 15 102.429 0.541 1.036 1.00 0.00 H new ATOM 0 HB3 HIS A 15 103.627 -0.253 0.032 1.00 0.00 H new ATOM 0 HD1 HIS A 15 102.612 -1.363 -2.301 1.00 0.00 H new ATOM 0 HD2 HIS A 15 100.323 1.622 -0.416 1.00 0.00 H new ATOM 0 HE1 HIS A 15 100.963 -0.456 -4.032 1.00 0.00 H new ATOM 275 N MET A 16 103.656 -2.946 2.357 1.00 0.00 N ATOM 276 CA MET A 16 104.927 -3.695 2.613 1.00 0.00 C ATOM 277 C MET A 16 104.601 -5.177 2.769 1.00 0.00 C ATOM 278 O MET A 16 103.549 -5.539 3.258 1.00 0.00 O ATOM 279 CB MET A 16 105.625 -3.127 3.852 1.00 0.00 C ATOM 280 CG MET A 16 106.427 -1.892 3.426 1.00 0.00 C ATOM 281 SD MET A 16 107.885 -2.403 2.484 1.00 0.00 S ATOM 282 CE MET A 16 108.319 -0.769 1.838 1.00 0.00 C ATOM 0 H MET A 16 102.986 -2.934 3.126 1.00 0.00 H new ATOM 0 HA MET A 16 105.614 -3.581 1.775 1.00 0.00 H new ATOM 0 HB2 MET A 16 104.891 -2.860 4.613 1.00 0.00 H new ATOM 0 HB3 MET A 16 106.284 -3.875 4.293 1.00 0.00 H new ATOM 0 HG2 MET A 16 105.804 -1.234 2.821 1.00 0.00 H new ATOM 0 HG3 MET A 16 106.731 -1.324 4.305 1.00 0.00 H new ATOM 0 HE1 MET A 16 108.193 -0.761 0.755 1.00 0.00 H new ATOM 0 HE2 MET A 16 107.669 -0.017 2.285 1.00 0.00 H new ATOM 0 HE3 MET A 16 109.357 -0.544 2.084 1.00 0.00 H new ATOM 292 N GLN A 17 105.466 -6.043 2.297 1.00 0.00 N ATOM 293 CA GLN A 17 105.156 -7.502 2.354 1.00 0.00 C ATOM 294 C GLN A 17 106.177 -8.329 3.162 1.00 0.00 C ATOM 295 O GLN A 17 106.246 -9.529 2.987 1.00 0.00 O ATOM 296 CB GLN A 17 105.120 -8.034 0.918 1.00 0.00 C ATOM 297 CG GLN A 17 104.227 -9.282 0.843 1.00 0.00 C ATOM 298 CD GLN A 17 104.998 -10.450 0.219 1.00 0.00 C ATOM 299 OE1 GLN A 17 105.945 -10.208 -0.646 1.00 0.00 O flip ATOM 300 NE2 GLN A 17 104.735 -11.597 0.523 1.00 0.00 N flip ATOM 0 H GLN A 17 106.365 -5.803 1.879 1.00 0.00 H new ATOM 0 HA GLN A 17 104.199 -7.608 2.865 1.00 0.00 H new ATOM 0 HB2 GLN A 17 104.741 -7.264 0.246 1.00 0.00 H new ATOM 0 HB3 GLN A 17 106.129 -8.278 0.586 1.00 0.00 H new ATOM 0 HG2 GLN A 17 103.886 -9.554 1.842 1.00 0.00 H new ATOM 0 HG3 GLN A 17 103.338 -9.066 0.251 1.00 0.00 H new ATOM 0 HE21 GLN A 17 103.995 -11.789 1.199 1.00 0.00 H new ATOM 0 HE22 GLN A 17 105.254 -12.368 0.102 1.00 0.00 H new ATOM 309 N PRO A 18 106.941 -7.747 4.050 1.00 0.00 N ATOM 310 CA PRO A 18 107.907 -8.534 4.864 1.00 0.00 C ATOM 311 C PRO A 18 107.169 -9.461 5.834 1.00 0.00 C ATOM 312 O PRO A 18 107.729 -10.400 6.361 1.00 0.00 O ATOM 313 CB PRO A 18 108.717 -7.479 5.623 1.00 0.00 C ATOM 314 CG PRO A 18 107.860 -6.258 5.637 1.00 0.00 C ATOM 315 CD PRO A 18 106.982 -6.319 4.382 1.00 0.00 C ATOM 0 HA PRO A 18 108.540 -9.177 4.252 1.00 0.00 H new ATOM 0 HB2 PRO A 18 108.944 -7.811 6.636 1.00 0.00 H new ATOM 0 HB3 PRO A 18 109.670 -7.285 5.130 1.00 0.00 H new ATOM 0 HG2 PRO A 18 107.246 -6.227 6.537 1.00 0.00 H new ATOM 0 HG3 PRO A 18 108.472 -5.356 5.637 1.00 0.00 H new ATOM 0 HD2 PRO A 18 105.984 -5.924 4.573 1.00 0.00 H new ATOM 0 HD3 PRO A 18 107.407 -5.732 3.568 1.00 0.00 H new ATOM 323 N SER A 19 105.904 -9.197 6.058 1.00 0.00 N ATOM 324 CA SER A 19 105.096 -10.048 6.981 1.00 0.00 C ATOM 325 C SER A 19 103.857 -9.267 7.443 1.00 0.00 C ATOM 326 O SER A 19 103.705 -8.972 8.612 1.00 0.00 O ATOM 327 CB SER A 19 105.940 -10.439 8.201 1.00 0.00 C ATOM 328 OG SER A 19 106.879 -9.407 8.472 1.00 0.00 O ATOM 0 H SER A 19 105.394 -8.421 5.636 1.00 0.00 H new ATOM 0 HA SER A 19 104.784 -10.951 6.457 1.00 0.00 H new ATOM 0 HB2 SER A 19 105.297 -10.598 9.067 1.00 0.00 H new ATOM 0 HB3 SER A 19 106.459 -11.379 8.013 1.00 0.00 H new ATOM 0 HG SER A 19 107.748 -9.646 8.088 1.00 0.00 H new ATOM 334 N PRO A 20 102.976 -8.937 6.532 1.00 0.00 N ATOM 335 CA PRO A 20 101.732 -8.185 6.852 1.00 0.00 C ATOM 336 C PRO A 20 100.619 -9.115 7.346 1.00 0.00 C ATOM 337 O PRO A 20 99.688 -8.687 7.994 1.00 0.00 O ATOM 338 CB PRO A 20 101.356 -7.557 5.513 1.00 0.00 C ATOM 339 CG PRO A 20 101.846 -8.523 4.483 1.00 0.00 C ATOM 340 CD PRO A 20 103.063 -9.242 5.094 1.00 0.00 C ATOM 0 HA PRO A 20 101.874 -7.458 7.651 1.00 0.00 H new ATOM 0 HB2 PRO A 20 100.279 -7.409 5.435 1.00 0.00 H new ATOM 0 HB3 PRO A 20 101.822 -6.579 5.391 1.00 0.00 H new ATOM 0 HG2 PRO A 20 101.066 -9.238 4.221 1.00 0.00 H new ATOM 0 HG3 PRO A 20 102.124 -8.003 3.566 1.00 0.00 H new ATOM 0 HD2 PRO A 20 103.025 -10.316 4.911 1.00 0.00 H new ATOM 0 HD3 PRO A 20 103.997 -8.879 4.665 1.00 0.00 H new ATOM 348 N GLN A 21 100.731 -10.384 7.031 1.00 0.00 N ATOM 349 CA GLN A 21 99.715 -11.406 7.454 1.00 0.00 C ATOM 350 C GLN A 21 98.727 -11.657 6.313 1.00 0.00 C ATOM 351 O GLN A 21 97.528 -11.591 6.491 1.00 0.00 O ATOM 352 CB GLN A 21 98.949 -10.954 8.707 1.00 0.00 C ATOM 353 CG GLN A 21 99.939 -10.540 9.813 1.00 0.00 C ATOM 354 CD GLN A 21 99.828 -11.506 10.997 1.00 0.00 C ATOM 355 OE1 GLN A 21 100.139 -12.674 10.874 1.00 0.00 O ATOM 356 NE2 GLN A 21 99.395 -11.064 12.146 1.00 0.00 N ATOM 0 H GLN A 21 101.503 -10.765 6.484 1.00 0.00 H new ATOM 0 HA GLN A 21 100.246 -12.327 7.695 1.00 0.00 H new ATOM 0 HB2 GLN A 21 98.296 -10.117 8.461 1.00 0.00 H new ATOM 0 HB3 GLN A 21 98.311 -11.762 9.064 1.00 0.00 H new ATOM 0 HG2 GLN A 21 100.957 -10.544 9.423 1.00 0.00 H new ATOM 0 HG3 GLN A 21 99.727 -9.522 10.141 1.00 0.00 H new ATOM 0 HE21 GLN A 21 99.134 -10.083 12.250 1.00 0.00 H new ATOM 0 HE22 GLN A 21 99.318 -11.699 12.940 1.00 0.00 H new ATOM 365 N ALA A 22 99.227 -11.953 5.143 1.00 0.00 N ATOM 366 CA ALA A 22 98.329 -12.219 3.983 1.00 0.00 C ATOM 367 C ALA A 22 97.732 -10.915 3.484 1.00 0.00 C ATOM 368 O ALA A 22 97.196 -10.136 4.246 1.00 0.00 O ATOM 369 CB ALA A 22 97.181 -13.144 4.401 1.00 0.00 C ATOM 0 H ALA A 22 100.224 -12.022 4.941 1.00 0.00 H new ATOM 0 HA ALA A 22 98.917 -12.691 3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 22 96.533 -13.330 3.544 1.00 0.00 H new ATOM 0 HB2 ALA A 22 97.588 -14.089 4.760 1.00 0.00 H new ATOM 0 HB3 ALA A 22 96.604 -12.672 5.196 1.00 0.00 H new ATOM 375 N CYS A 23 97.783 -10.678 2.207 1.00 0.00 N ATOM 376 CA CYS A 23 97.177 -9.436 1.686 1.00 0.00 C ATOM 377 C CYS A 23 95.750 -9.373 2.186 1.00 0.00 C ATOM 378 O CYS A 23 95.204 -8.321 2.414 1.00 0.00 O ATOM 379 CB CYS A 23 97.156 -9.459 0.176 1.00 0.00 C ATOM 380 SG CYS A 23 98.831 -9.743 -0.442 1.00 0.00 S ATOM 0 H CYS A 23 98.214 -11.286 1.511 1.00 0.00 H new ATOM 0 HA CYS A 23 97.755 -8.575 2.021 1.00 0.00 H new ATOM 0 HB2 CYS A 23 96.488 -10.244 -0.178 1.00 0.00 H new ATOM 0 HB3 CYS A 23 96.770 -8.515 -0.208 1.00 0.00 H new ATOM 385 N ASN A 24 95.138 -10.504 2.362 1.00 0.00 N ATOM 386 CA ASN A 24 93.744 -10.496 2.863 1.00 0.00 C ATOM 387 C ASN A 24 93.695 -9.616 4.115 1.00 0.00 C ATOM 388 O ASN A 24 92.891 -8.715 4.224 1.00 0.00 O ATOM 389 CB ASN A 24 93.301 -11.927 3.207 1.00 0.00 C ATOM 390 CG ASN A 24 94.246 -12.936 2.549 1.00 0.00 C ATOM 391 OD1 ASN A 24 94.754 -12.697 1.472 1.00 0.00 O ATOM 392 ND2 ASN A 24 94.503 -14.062 3.155 1.00 0.00 N ATOM 0 H ASN A 24 95.538 -11.425 2.183 1.00 0.00 H new ATOM 0 HA ASN A 24 93.071 -10.104 2.101 1.00 0.00 H new ATOM 0 HB2 ASN A 24 93.300 -12.067 4.288 1.00 0.00 H new ATOM 0 HB3 ASN A 24 92.280 -12.094 2.863 1.00 0.00 H new ATOM 0 HD21 ASN A 24 95.130 -14.741 2.724 1.00 0.00 H new ATOM 0 HD22 ASN A 24 94.077 -14.263 4.060 1.00 0.00 H new ATOM 399 N SER A 25 94.569 -9.864 5.053 1.00 0.00 N ATOM 400 CA SER A 25 94.587 -9.047 6.302 1.00 0.00 C ATOM 401 C SER A 25 95.348 -7.740 6.059 1.00 0.00 C ATOM 402 O SER A 25 94.980 -6.687 6.547 1.00 0.00 O ATOM 403 CB SER A 25 95.274 -9.838 7.415 1.00 0.00 C ATOM 404 OG SER A 25 94.873 -9.318 8.676 1.00 0.00 O ATOM 0 H SER A 25 95.274 -10.600 5.008 1.00 0.00 H new ATOM 0 HA SER A 25 93.563 -8.815 6.595 1.00 0.00 H new ATOM 0 HB2 SER A 25 95.010 -10.893 7.343 1.00 0.00 H new ATOM 0 HB3 SER A 25 96.357 -9.772 7.309 1.00 0.00 H new ATOM 0 HG SER A 25 95.310 -9.824 9.392 1.00 0.00 H new ATOM 410 N ALA A 26 96.399 -7.794 5.296 1.00 0.00 N ATOM 411 CA ALA A 26 97.169 -6.554 5.012 1.00 0.00 C ATOM 412 C ALA A 26 96.201 -5.511 4.491 1.00 0.00 C ATOM 413 O ALA A 26 96.238 -4.356 4.865 1.00 0.00 O ATOM 414 CB ALA A 26 98.219 -6.848 3.951 1.00 0.00 C ATOM 0 H ALA A 26 96.759 -8.641 4.857 1.00 0.00 H new ATOM 0 HA ALA A 26 97.664 -6.194 5.914 1.00 0.00 H new ATOM 0 HB1 ALA A 26 98.786 -5.942 3.739 1.00 0.00 H new ATOM 0 HB2 ALA A 26 98.895 -7.623 4.313 1.00 0.00 H new ATOM 0 HB3 ALA A 26 97.729 -7.191 3.039 1.00 0.00 H new ATOM 420 N MET A 27 95.325 -5.928 3.633 1.00 0.00 N ATOM 421 CA MET A 27 94.330 -4.994 3.075 1.00 0.00 C ATOM 422 C MET A 27 93.276 -4.709 4.142 1.00 0.00 C ATOM 423 O MET A 27 92.690 -3.648 4.176 1.00 0.00 O ATOM 424 CB MET A 27 93.679 -5.629 1.844 1.00 0.00 C ATOM 425 CG MET A 27 93.276 -4.531 0.852 1.00 0.00 C ATOM 426 SD MET A 27 91.711 -3.788 1.379 1.00 0.00 S ATOM 427 CE MET A 27 91.753 -2.340 0.292 1.00 0.00 C ATOM 0 H MET A 27 95.257 -6.887 3.292 1.00 0.00 H new ATOM 0 HA MET A 27 94.808 -4.060 2.779 1.00 0.00 H new ATOM 0 HB2 MET A 27 94.373 -6.324 1.371 1.00 0.00 H new ATOM 0 HB3 MET A 27 92.803 -6.205 2.140 1.00 0.00 H new ATOM 0 HG2 MET A 27 94.054 -3.769 0.800 1.00 0.00 H new ATOM 0 HG3 MET A 27 93.173 -4.950 -0.149 1.00 0.00 H new ATOM 0 HE1 MET A 27 91.047 -1.593 0.654 1.00 0.00 H new ATOM 0 HE2 MET A 27 92.758 -1.917 0.287 1.00 0.00 H new ATOM 0 HE3 MET A 27 91.480 -2.637 -0.721 1.00 0.00 H new ATOM 437 N LYS A 28 93.034 -5.645 5.021 1.00 0.00 N ATOM 438 CA LYS A 28 92.017 -5.400 6.085 1.00 0.00 C ATOM 439 C LYS A 28 92.392 -4.135 6.854 1.00 0.00 C ATOM 440 O LYS A 28 91.541 -3.433 7.362 1.00 0.00 O ATOM 441 CB LYS A 28 91.958 -6.584 7.057 1.00 0.00 C ATOM 442 CG LYS A 28 91.210 -7.761 6.416 1.00 0.00 C ATOM 443 CD LYS A 28 89.737 -7.395 6.158 1.00 0.00 C ATOM 444 CE LYS A 28 89.487 -7.274 4.648 1.00 0.00 C ATOM 445 NZ LYS A 28 88.194 -6.572 4.413 1.00 0.00 N ATOM 0 H LYS A 28 93.490 -6.557 5.049 1.00 0.00 H new ATOM 0 HA LYS A 28 91.039 -5.281 5.618 1.00 0.00 H new ATOM 0 HB2 LYS A 28 92.968 -6.891 7.329 1.00 0.00 H new ATOM 0 HB3 LYS A 28 91.457 -6.283 7.977 1.00 0.00 H new ATOM 0 HG2 LYS A 28 91.691 -8.036 5.477 1.00 0.00 H new ATOM 0 HG3 LYS A 28 91.264 -8.632 7.069 1.00 0.00 H new ATOM 0 HD2 LYS A 28 89.084 -8.156 6.584 1.00 0.00 H new ATOM 0 HD3 LYS A 28 89.495 -6.454 6.652 1.00 0.00 H new ATOM 0 HE2 LYS A 28 90.302 -6.725 4.177 1.00 0.00 H new ATOM 0 HE3 LYS A 28 89.464 -8.264 4.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 87.732 -6.969 3.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 87.575 -6.698 5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 88.371 -5.558 4.265 1.00 0.00 H new ATOM 459 N ASN A 29 93.656 -3.822 6.938 1.00 0.00 N ATOM 460 CA ASN A 29 94.052 -2.583 7.667 1.00 0.00 C ATOM 461 C ASN A 29 93.796 -1.388 6.749 1.00 0.00 C ATOM 462 O ASN A 29 93.689 -0.250 7.175 1.00 0.00 O ATOM 463 CB ASN A 29 95.539 -2.652 8.025 1.00 0.00 C ATOM 464 CG ASN A 29 95.884 -1.525 8.999 1.00 0.00 C ATOM 465 OD1 ASN A 29 96.329 -0.470 8.593 1.00 0.00 O ATOM 466 ND2 ASN A 29 95.696 -1.704 10.278 1.00 0.00 N ATOM 0 H ASN A 29 94.424 -4.363 6.539 1.00 0.00 H new ATOM 0 HA ASN A 29 93.474 -2.482 8.586 1.00 0.00 H new ATOM 0 HB2 ASN A 29 95.771 -3.618 8.474 1.00 0.00 H new ATOM 0 HB3 ASN A 29 96.145 -2.565 7.123 1.00 0.00 H new ATOM 0 HD21 ASN A 29 95.923 -0.958 10.936 1.00 0.00 H new ATOM 0 HD22 ASN A 29 95.322 -2.590 10.620 1.00 0.00 H new ATOM 473 N ILE A 30 93.690 -1.651 5.484 1.00 0.00 N ATOM 474 CA ILE A 30 93.442 -0.561 4.510 1.00 0.00 C ATOM 475 C ILE A 30 91.939 -0.329 4.377 1.00 0.00 C ATOM 476 O ILE A 30 91.488 0.789 4.251 1.00 0.00 O ATOM 477 CB ILE A 30 94.032 -0.975 3.164 1.00 0.00 C ATOM 478 CG1 ILE A 30 95.466 -1.459 3.390 1.00 0.00 C ATOM 479 CG2 ILE A 30 94.032 0.212 2.190 1.00 0.00 C ATOM 480 CD1 ILE A 30 96.157 -1.660 2.040 1.00 0.00 C ATOM 0 H ILE A 30 93.765 -2.584 5.078 1.00 0.00 H new ATOM 0 HA ILE A 30 93.909 0.364 4.848 1.00 0.00 H new ATOM 0 HB ILE A 30 93.428 -1.773 2.731 1.00 0.00 H new ATOM 0 HG12 ILE A 30 96.016 -0.732 3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 30 95.461 -2.394 3.951 1.00 0.00 H new ATOM 0 HG21 ILE A 30 94.456 -0.100 1.236 1.00 0.00 H new ATOM 0 HG22 ILE A 30 93.009 0.557 2.037 1.00 0.00 H new ATOM 0 HG23 ILE A 30 94.631 1.023 2.605 1.00 0.00 H new ATOM 0 HD11 ILE A 30 97.178 -2.005 2.202 1.00 0.00 H new ATOM 0 HD12 ILE A 30 95.611 -2.403 1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 30 96.175 -0.716 1.496 1.00 0.00 H new ATOM 492 N ASN A 31 91.160 -1.373 4.417 1.00 0.00 N ATOM 493 CA ASN A 31 89.687 -1.207 4.303 1.00 0.00 C ATOM 494 C ASN A 31 89.169 -0.536 5.572 1.00 0.00 C ATOM 495 O ASN A 31 88.159 0.139 5.566 1.00 0.00 O ATOM 496 CB ASN A 31 89.027 -2.581 4.115 1.00 0.00 C ATOM 497 CG ASN A 31 88.590 -3.158 5.466 1.00 0.00 C ATOM 498 OD1 ASN A 31 89.400 -3.093 6.484 1.00 0.00 O flip ATOM 499 ND2 ASN A 31 87.497 -3.674 5.593 1.00 0.00 N flip ATOM 0 H ASN A 31 91.481 -2.335 4.524 1.00 0.00 H new ATOM 0 HA ASN A 31 89.444 -0.586 3.441 1.00 0.00 H new ATOM 0 HB2 ASN A 31 88.163 -2.489 3.456 1.00 0.00 H new ATOM 0 HB3 ASN A 31 89.726 -3.263 3.631 1.00 0.00 H new ATOM 0 HD21 ASN A 31 86.862 -3.726 4.797 1.00 0.00 H new ATOM 0 HD22 ASN A 31 87.215 -4.055 6.496 1.00 0.00 H new ATOM 506 N LYS A 32 89.865 -0.703 6.660 1.00 0.00 N ATOM 507 CA LYS A 32 89.417 -0.064 7.921 1.00 0.00 C ATOM 508 C LYS A 32 89.839 1.403 7.894 1.00 0.00 C ATOM 509 O LYS A 32 89.136 2.269 8.375 1.00 0.00 O ATOM 510 CB LYS A 32 90.042 -0.789 9.123 1.00 0.00 C ATOM 511 CG LYS A 32 91.496 -0.356 9.309 1.00 0.00 C ATOM 512 CD LYS A 32 92.142 -1.189 10.421 1.00 0.00 C ATOM 513 CE LYS A 32 91.613 -0.737 11.785 1.00 0.00 C ATOM 514 NZ LYS A 32 92.515 -1.242 12.858 1.00 0.00 N ATOM 0 H LYS A 32 90.721 -1.253 6.728 1.00 0.00 H new ATOM 0 HA LYS A 32 88.333 -0.128 8.015 1.00 0.00 H new ATOM 0 HB2 LYS A 32 89.472 -0.568 10.025 1.00 0.00 H new ATOM 0 HB3 LYS A 32 89.994 -1.867 8.971 1.00 0.00 H new ATOM 0 HG2 LYS A 32 92.047 -0.485 8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 32 91.541 0.703 9.561 1.00 0.00 H new ATOM 0 HD2 LYS A 32 91.924 -2.246 10.269 1.00 0.00 H new ATOM 0 HD3 LYS A 32 93.226 -1.079 10.387 1.00 0.00 H new ATOM 0 HE2 LYS A 32 91.558 0.351 11.823 1.00 0.00 H new ATOM 0 HE3 LYS A 32 90.602 -1.113 11.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 92.157 -0.936 13.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 92.546 -2.281 12.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 93.472 -0.862 12.714 1.00 0.00 H new ATOM 528 N HIS A 33 90.985 1.694 7.331 1.00 0.00 N ATOM 529 CA HIS A 33 91.435 3.112 7.278 1.00 0.00 C ATOM 530 C HIS A 33 90.783 3.826 6.079 1.00 0.00 C ATOM 531 O HIS A 33 90.773 5.038 6.007 1.00 0.00 O ATOM 532 CB HIS A 33 92.971 3.149 7.182 1.00 0.00 C ATOM 533 CG HIS A 33 93.411 3.842 5.922 1.00 0.00 C ATOM 534 ND1 HIS A 33 93.849 5.159 5.913 1.00 0.00 N ATOM 535 CD2 HIS A 33 93.497 3.408 4.625 1.00 0.00 C ATOM 536 CE1 HIS A 33 94.179 5.467 4.645 1.00 0.00 C ATOM 537 NE2 HIS A 33 93.983 4.435 3.823 1.00 0.00 N ATOM 0 H HIS A 33 91.621 1.016 6.911 1.00 0.00 H new ATOM 0 HA HIS A 33 91.129 3.635 8.184 1.00 0.00 H new ATOM 0 HB2 HIS A 33 93.382 3.666 8.049 1.00 0.00 H new ATOM 0 HB3 HIS A 33 93.366 2.133 7.200 1.00 0.00 H new ATOM 0 HD2 HIS A 33 93.229 2.421 4.279 1.00 0.00 H new ATOM 0 HE1 HIS A 33 94.556 6.430 4.332 1.00 0.00 H new ATOM 0 HE2 HIS A 33 94.154 4.405 2.818 1.00 0.00 H new ATOM 546 N THR A 34 90.220 3.088 5.151 1.00 0.00 N ATOM 547 CA THR A 34 89.550 3.735 3.975 1.00 0.00 C ATOM 548 C THR A 34 88.046 3.484 4.060 1.00 0.00 C ATOM 549 O THR A 34 87.276 4.008 3.279 1.00 0.00 O ATOM 550 CB THR A 34 90.068 3.135 2.659 1.00 0.00 C ATOM 551 OG1 THR A 34 90.147 1.723 2.782 1.00 0.00 O ATOM 552 CG2 THR A 34 91.453 3.698 2.316 1.00 0.00 C ATOM 0 H THR A 34 90.195 2.068 5.156 1.00 0.00 H new ATOM 0 HA THR A 34 89.768 4.803 3.993 1.00 0.00 H new ATOM 0 HB THR A 34 89.377 3.399 1.859 1.00 0.00 H new ATOM 0 HG1 THR A 34 90.891 1.487 3.375 1.00 0.00 H new ATOM 0 HG21 THR A 34 91.802 3.261 1.381 1.00 0.00 H new ATOM 0 HG22 THR A 34 91.389 4.781 2.209 1.00 0.00 H new ATOM 0 HG23 THR A 34 92.153 3.453 3.115 1.00 0.00 H new ATOM 560 N LYS A 35 87.621 2.678 4.992 1.00 0.00 N ATOM 561 CA LYS A 35 86.164 2.387 5.113 1.00 0.00 C ATOM 562 C LYS A 35 85.664 1.771 3.802 1.00 0.00 C ATOM 563 O LYS A 35 84.493 1.831 3.480 1.00 0.00 O ATOM 564 CB LYS A 35 85.398 3.683 5.396 1.00 0.00 C ATOM 565 CG LYS A 35 86.125 4.487 6.477 1.00 0.00 C ATOM 566 CD LYS A 35 86.221 3.655 7.759 1.00 0.00 C ATOM 567 CE LYS A 35 86.572 4.568 8.936 1.00 0.00 C ATOM 568 NZ LYS A 35 85.413 5.454 9.239 1.00 0.00 N ATOM 0 H LYS A 35 88.217 2.209 5.674 1.00 0.00 H new ATOM 0 HA LYS A 35 85.999 1.689 5.934 1.00 0.00 H new ATOM 0 HB2 LYS A 35 85.315 4.274 4.484 1.00 0.00 H new ATOM 0 HB3 LYS A 35 84.383 3.453 5.721 1.00 0.00 H new ATOM 0 HG2 LYS A 35 87.123 4.759 6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 35 85.591 5.417 6.674 1.00 0.00 H new ATOM 0 HD2 LYS A 35 85.275 3.148 7.948 1.00 0.00 H new ATOM 0 HD3 LYS A 35 86.980 2.881 7.647 1.00 0.00 H new ATOM 0 HE2 LYS A 35 86.825 3.970 9.811 1.00 0.00 H new ATOM 0 HE3 LYS A 35 87.449 5.168 8.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 85.455 5.753 10.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 85.447 6.292 8.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 84.527 4.936 9.070 1.00 0.00 H new ATOM 582 N ARG A 36 86.549 1.182 3.044 1.00 0.00 N ATOM 583 CA ARG A 36 86.146 0.558 1.750 1.00 0.00 C ATOM 584 C ARG A 36 87.304 -0.304 1.240 1.00 0.00 C ATOM 585 O ARG A 36 88.452 -0.025 1.516 1.00 0.00 O ATOM 586 CB ARG A 36 85.836 1.658 0.729 1.00 0.00 C ATOM 587 CG ARG A 36 86.094 1.143 -0.693 1.00 0.00 C ATOM 588 CD ARG A 36 85.064 0.074 -1.070 1.00 0.00 C ATOM 589 NE ARG A 36 84.281 0.536 -2.250 1.00 0.00 N ATOM 590 CZ ARG A 36 83.616 -0.326 -2.970 1.00 0.00 C ATOM 591 NH1 ARG A 36 83.638 -1.592 -2.656 1.00 0.00 N ATOM 592 NH2 ARG A 36 82.930 0.079 -4.004 1.00 0.00 N ATOM 0 H ARG A 36 87.541 1.106 3.267 1.00 0.00 H new ATOM 0 HA ARG A 36 85.259 -0.059 1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 36 84.798 1.974 0.827 1.00 0.00 H new ATOM 0 HB3 ARG A 36 86.456 2.533 0.926 1.00 0.00 H new ATOM 0 HG2 ARG A 36 86.044 1.970 -1.401 1.00 0.00 H new ATOM 0 HG3 ARG A 36 87.099 0.727 -0.759 1.00 0.00 H new ATOM 0 HD2 ARG A 36 85.566 -0.866 -1.298 1.00 0.00 H new ATOM 0 HD3 ARG A 36 84.397 -0.117 -0.229 1.00 0.00 H new ATOM 0 HE ARG A 36 84.265 1.526 -2.495 1.00 0.00 H new ATOM 0 HH11 ARG A 36 84.175 -1.908 -1.848 1.00 0.00 H new ATOM 0 HH12 ARG A 36 83.118 -2.266 -3.218 1.00 0.00 H new ATOM 0 HH21 ARG A 36 82.914 1.069 -4.249 1.00 0.00 H new ATOM 0 HH22 ARG A 36 82.410 -0.594 -4.567 1.00 0.00 H new ATOM 606 N CYS A 37 87.028 -1.339 0.485 1.00 0.00 N ATOM 607 CA CYS A 37 88.143 -2.176 -0.028 1.00 0.00 C ATOM 608 C CYS A 37 88.597 -1.660 -1.394 1.00 0.00 C ATOM 609 O CYS A 37 88.007 -1.959 -2.413 1.00 0.00 O ATOM 610 CB CYS A 37 87.680 -3.624 -0.149 1.00 0.00 C ATOM 611 SG CYS A 37 88.170 -4.521 1.345 1.00 0.00 S ATOM 0 H CYS A 37 86.091 -1.633 0.208 1.00 0.00 H new ATOM 0 HA CYS A 37 88.981 -2.122 0.667 1.00 0.00 H new ATOM 0 HB2 CYS A 37 86.598 -3.665 -0.276 1.00 0.00 H new ATOM 0 HB3 CYS A 37 88.122 -4.089 -1.030 1.00 0.00 H new ATOM 616 N LYS A 38 89.643 -0.881 -1.404 1.00 0.00 N ATOM 617 CA LYS A 38 90.185 -0.316 -2.676 1.00 0.00 C ATOM 618 C LYS A 38 90.038 -1.309 -3.841 1.00 0.00 C ATOM 619 O LYS A 38 90.140 -0.926 -4.988 1.00 0.00 O ATOM 620 CB LYS A 38 91.672 0.011 -2.472 1.00 0.00 C ATOM 621 CG LYS A 38 91.815 1.465 -2.011 1.00 0.00 C ATOM 622 CD LYS A 38 93.215 1.688 -1.432 1.00 0.00 C ATOM 623 CE LYS A 38 93.588 3.168 -1.540 1.00 0.00 C ATOM 624 NZ LYS A 38 92.413 4.005 -1.165 1.00 0.00 N ATOM 0 H LYS A 38 90.157 -0.606 -0.567 1.00 0.00 H new ATOM 0 HA LYS A 38 89.621 0.582 -2.927 1.00 0.00 H new ATOM 0 HB2 LYS A 38 92.105 -0.661 -1.731 1.00 0.00 H new ATOM 0 HB3 LYS A 38 92.220 -0.143 -3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 38 91.646 2.141 -2.849 1.00 0.00 H new ATOM 0 HG3 LYS A 38 91.059 1.694 -1.260 1.00 0.00 H new ATOM 0 HD2 LYS A 38 93.243 1.371 -0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 38 93.942 1.080 -1.969 1.00 0.00 H new ATOM 0 HE2 LYS A 38 94.430 3.390 -0.885 1.00 0.00 H new ATOM 0 HE3 LYS A 38 93.904 3.401 -2.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 92.735 4.836 -0.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 91.921 4.319 -2.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 91.761 3.446 -0.578 1.00 0.00 H new ATOM 638 N ASP A 39 89.805 -2.572 -3.570 1.00 0.00 N ATOM 639 CA ASP A 39 89.658 -3.561 -4.680 1.00 0.00 C ATOM 640 C ASP A 39 91.042 -4.020 -5.147 1.00 0.00 C ATOM 641 O ASP A 39 91.196 -5.092 -5.691 1.00 0.00 O ATOM 642 CB ASP A 39 88.896 -2.931 -5.857 1.00 0.00 C ATOM 643 CG ASP A 39 88.094 -4.011 -6.589 1.00 0.00 C ATOM 644 OD1 ASP A 39 88.712 -4.877 -7.186 1.00 0.00 O ATOM 645 OD2 ASP A 39 86.876 -3.952 -6.539 1.00 0.00 O ATOM 0 H ASP A 39 89.711 -2.957 -2.630 1.00 0.00 H new ATOM 0 HA ASP A 39 89.094 -4.420 -4.315 1.00 0.00 H new ATOM 0 HB2 ASP A 39 88.227 -2.151 -5.494 1.00 0.00 H new ATOM 0 HB3 ASP A 39 89.596 -2.456 -6.544 1.00 0.00 H new ATOM 650 N LEU A 40 92.051 -3.219 -4.939 1.00 0.00 N ATOM 651 CA LEU A 40 93.421 -3.621 -5.374 1.00 0.00 C ATOM 652 C LEU A 40 94.452 -3.013 -4.418 1.00 0.00 C ATOM 653 O LEU A 40 94.317 -1.890 -3.973 1.00 0.00 O ATOM 654 CB LEU A 40 93.670 -3.114 -6.810 1.00 0.00 C ATOM 655 CG LEU A 40 94.072 -4.265 -7.750 1.00 0.00 C ATOM 656 CD1 LEU A 40 95.385 -4.914 -7.285 1.00 0.00 C ATOM 657 CD2 LEU A 40 92.956 -5.314 -7.792 1.00 0.00 C ATOM 0 H LEU A 40 91.988 -2.306 -4.488 1.00 0.00 H new ATOM 0 HA LEU A 40 93.512 -4.707 -5.358 1.00 0.00 H new ATOM 0 HB2 LEU A 40 92.769 -2.631 -7.188 1.00 0.00 H new ATOM 0 HB3 LEU A 40 94.456 -2.359 -6.800 1.00 0.00 H new ATOM 0 HG LEU A 40 94.224 -3.859 -8.750 1.00 0.00 H new ATOM 0 HD11 LEU A 40 95.650 -5.725 -7.963 1.00 0.00 H new ATOM 0 HD12 LEU A 40 96.179 -4.168 -7.283 1.00 0.00 H new ATOM 0 HD13 LEU A 40 95.258 -5.311 -6.278 1.00 0.00 H new ATOM 0 HD21 LEU A 40 93.245 -6.126 -8.459 1.00 0.00 H new ATOM 0 HD22 LEU A 40 92.790 -5.709 -6.790 1.00 0.00 H new ATOM 0 HD23 LEU A 40 92.038 -4.854 -8.158 1.00 0.00 H new ATOM 669 N ASN A 41 95.481 -3.750 -4.099 1.00 0.00 N ATOM 670 CA ASN A 41 96.523 -3.225 -3.173 1.00 0.00 C ATOM 671 C ASN A 41 97.842 -3.946 -3.445 1.00 0.00 C ATOM 672 O ASN A 41 97.927 -5.154 -3.368 1.00 0.00 O ATOM 673 CB ASN A 41 96.092 -3.473 -1.729 1.00 0.00 C ATOM 674 CG ASN A 41 94.799 -2.708 -1.446 1.00 0.00 C ATOM 675 OD1 ASN A 41 93.654 -3.251 -1.757 1.00 0.00 O flip ATOM 676 ND2 ASN A 41 94.831 -1.604 -0.940 1.00 0.00 N flip ATOM 0 H ASN A 41 95.645 -4.697 -4.442 1.00 0.00 H new ATOM 0 HA ASN A 41 96.651 -2.154 -3.331 1.00 0.00 H new ATOM 0 HB2 ASN A 41 95.941 -4.539 -1.561 1.00 0.00 H new ATOM 0 HB3 ASN A 41 96.876 -3.150 -1.044 1.00 0.00 H new ATOM 0 HD21 ASN A 41 95.726 -1.180 -0.697 1.00 0.00 H new ATOM 0 HD22 ASN A 41 93.962 -1.101 -0.758 1.00 0.00 H new ATOM 683 N THR A 42 98.870 -3.215 -3.770 1.00 0.00 N ATOM 684 CA THR A 42 100.185 -3.854 -4.056 1.00 0.00 C ATOM 685 C THR A 42 101.107 -3.684 -2.845 1.00 0.00 C ATOM 686 O THR A 42 100.987 -2.743 -2.088 1.00 0.00 O ATOM 687 CB THR A 42 100.809 -3.178 -5.290 1.00 0.00 C ATOM 688 OG1 THR A 42 100.190 -1.916 -5.491 1.00 0.00 O ATOM 689 CG2 THR A 42 100.596 -4.040 -6.541 1.00 0.00 C ATOM 0 H THR A 42 98.857 -2.198 -3.850 1.00 0.00 H new ATOM 0 HA THR A 42 100.050 -4.918 -4.253 1.00 0.00 H new ATOM 0 HB THR A 42 101.879 -3.055 -5.121 1.00 0.00 H new ATOM 0 HG1 THR A 42 100.584 -1.479 -6.275 1.00 0.00 H new ATOM 0 HG21 THR A 42 101.044 -3.546 -7.404 1.00 0.00 H new ATOM 0 HG22 THR A 42 101.065 -5.013 -6.396 1.00 0.00 H new ATOM 0 HG23 THR A 42 99.528 -4.174 -6.713 1.00 0.00 H new ATOM 697 N PHE A 43 102.025 -4.593 -2.661 1.00 0.00 N ATOM 698 CA PHE A 43 102.968 -4.501 -1.510 1.00 0.00 C ATOM 699 C PHE A 43 104.378 -4.826 -2.006 1.00 0.00 C ATOM 700 O PHE A 43 104.554 -5.374 -3.073 1.00 0.00 O ATOM 701 CB PHE A 43 102.578 -5.510 -0.428 1.00 0.00 C ATOM 702 CG PHE A 43 101.211 -5.185 0.130 1.00 0.00 C ATOM 703 CD1 PHE A 43 100.068 -5.413 -0.643 1.00 0.00 C ATOM 704 CD2 PHE A 43 101.086 -4.679 1.430 1.00 0.00 C ATOM 705 CE1 PHE A 43 98.802 -5.133 -0.117 1.00 0.00 C ATOM 706 CE2 PHE A 43 99.820 -4.403 1.957 1.00 0.00 C ATOM 707 CZ PHE A 43 98.678 -4.631 1.183 1.00 0.00 C ATOM 0 H PHE A 43 102.163 -5.403 -3.265 1.00 0.00 H new ATOM 0 HA PHE A 43 102.931 -3.495 -1.091 1.00 0.00 H new ATOM 0 HB2 PHE A 43 102.577 -6.517 -0.845 1.00 0.00 H new ATOM 0 HB3 PHE A 43 103.317 -5.497 0.373 1.00 0.00 H new ATOM 0 HD1 PHE A 43 100.162 -5.805 -1.645 1.00 0.00 H new ATOM 0 HD2 PHE A 43 101.969 -4.502 2.027 1.00 0.00 H new ATOM 0 HE1 PHE A 43 97.919 -5.305 -0.715 1.00 0.00 H new ATOM 0 HE2 PHE A 43 99.725 -4.014 2.960 1.00 0.00 H new ATOM 0 HZ PHE A 43 97.700 -4.419 1.589 1.00 0.00 H new ATOM 717 N LEU A 44 105.382 -4.505 -1.233 1.00 0.00 N ATOM 718 CA LEU A 44 106.786 -4.806 -1.646 1.00 0.00 C ATOM 719 C LEU A 44 107.397 -5.735 -0.590 1.00 0.00 C ATOM 720 O LEU A 44 106.987 -5.715 0.552 1.00 0.00 O ATOM 721 CB LEU A 44 107.580 -3.495 -1.763 1.00 0.00 C ATOM 722 CG LEU A 44 106.848 -2.540 -2.717 1.00 0.00 C ATOM 723 CD1 LEU A 44 107.656 -1.247 -2.897 1.00 0.00 C ATOM 724 CD2 LEU A 44 106.680 -3.216 -4.077 1.00 0.00 C ATOM 0 H LEU A 44 105.290 -4.044 -0.328 1.00 0.00 H new ATOM 0 HA LEU A 44 106.813 -5.297 -2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 44 107.689 -3.034 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 44 108.585 -3.697 -2.133 1.00 0.00 H new ATOM 0 HG LEU A 44 105.873 -2.297 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 44 107.126 -0.578 -3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 44 107.781 -0.759 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 44 108.635 -1.485 -3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 44 106.161 -2.541 -4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 44 107.661 -3.459 -4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 44 106.099 -4.131 -3.959 1.00 0.00 H new ATOM 736 N HIS A 45 108.351 -6.569 -0.943 1.00 0.00 N ATOM 737 CA HIS A 45 108.924 -7.500 0.090 1.00 0.00 C ATOM 738 C HIS A 45 110.353 -7.099 0.432 1.00 0.00 C ATOM 739 O HIS A 45 111.297 -7.792 0.107 1.00 0.00 O ATOM 740 CB HIS A 45 108.926 -8.939 -0.433 1.00 0.00 C ATOM 741 CG HIS A 45 109.018 -9.900 0.721 1.00 0.00 C ATOM 742 ND1 HIS A 45 109.882 -9.697 1.788 1.00 0.00 N ATOM 743 CD2 HIS A 45 108.371 -11.083 0.982 1.00 0.00 C ATOM 744 CE1 HIS A 45 109.735 -10.735 2.633 1.00 0.00 C ATOM 745 NE2 HIS A 45 108.827 -11.604 2.187 1.00 0.00 N ATOM 0 H HIS A 45 108.751 -6.646 -1.878 1.00 0.00 H new ATOM 0 HA HIS A 45 108.303 -7.436 0.984 1.00 0.00 H new ATOM 0 HB2 HIS A 45 108.018 -9.129 -1.005 1.00 0.00 H new ATOM 0 HB3 HIS A 45 109.767 -9.088 -1.111 1.00 0.00 H new ATOM 0 HD2 HIS A 45 107.624 -11.538 0.349 1.00 0.00 H new ATOM 0 HE1 HIS A 45 110.284 -10.849 3.556 1.00 0.00 H new ATOM 0 HE2 HIS A 45 108.529 -12.470 2.636 1.00 0.00 H new ATOM 754 N GLU A 46 110.526 -5.997 1.094 1.00 0.00 N ATOM 755 CA GLU A 46 111.901 -5.571 1.461 1.00 0.00 C ATOM 756 C GLU A 46 111.830 -4.720 2.740 1.00 0.00 C ATOM 757 O GLU A 46 111.012 -3.831 2.842 1.00 0.00 O ATOM 758 CB GLU A 46 112.486 -4.762 0.299 1.00 0.00 C ATOM 759 CG GLU A 46 113.943 -4.405 0.592 1.00 0.00 C ATOM 760 CD GLU A 46 114.824 -5.638 0.381 1.00 0.00 C ATOM 761 OE1 GLU A 46 114.280 -6.685 0.070 1.00 0.00 O ATOM 762 OE2 GLU A 46 116.028 -5.514 0.533 1.00 0.00 O ATOM 0 H GLU A 46 109.779 -5.373 1.397 1.00 0.00 H new ATOM 0 HA GLU A 46 112.541 -6.433 1.650 1.00 0.00 H new ATOM 0 HB2 GLU A 46 112.423 -5.338 -0.624 1.00 0.00 H new ATOM 0 HB3 GLU A 46 111.903 -3.853 0.148 1.00 0.00 H new ATOM 0 HG2 GLU A 46 114.269 -3.596 -0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 46 114.041 -4.046 1.616 1.00 0.00 H new ATOM 769 N PRO A 47 112.659 -4.993 3.724 1.00 0.00 N ATOM 770 CA PRO A 47 112.644 -4.223 5.000 1.00 0.00 C ATOM 771 C PRO A 47 112.679 -2.711 4.772 1.00 0.00 C ATOM 772 O PRO A 47 113.536 -2.191 4.085 1.00 0.00 O ATOM 773 CB PRO A 47 113.903 -4.670 5.736 1.00 0.00 C ATOM 774 CG PRO A 47 114.260 -6.004 5.159 1.00 0.00 C ATOM 775 CD PRO A 47 113.684 -6.053 3.738 1.00 0.00 C ATOM 0 HA PRO A 47 111.727 -4.414 5.558 1.00 0.00 H new ATOM 0 HB2 PRO A 47 114.713 -3.954 5.596 1.00 0.00 H new ATOM 0 HB3 PRO A 47 113.724 -4.743 6.809 1.00 0.00 H new ATOM 0 HG2 PRO A 47 115.342 -6.138 5.140 1.00 0.00 H new ATOM 0 HG3 PRO A 47 113.849 -6.809 5.768 1.00 0.00 H new ATOM 0 HD2 PRO A 47 114.455 -5.871 2.990 1.00 0.00 H new ATOM 0 HD3 PRO A 47 113.251 -7.029 3.518 1.00 0.00 H new ATOM 783 N PHE A 48 111.752 -2.011 5.355 1.00 0.00 N ATOM 784 CA PHE A 48 111.696 -0.529 5.203 1.00 0.00 C ATOM 785 C PHE A 48 113.092 0.056 5.340 1.00 0.00 C ATOM 786 O PHE A 48 113.344 1.151 4.914 1.00 0.00 O ATOM 787 CB PHE A 48 110.751 0.038 6.259 1.00 0.00 C ATOM 788 CG PHE A 48 109.681 -1.003 6.525 1.00 0.00 C ATOM 789 CD1 PHE A 48 109.223 -1.810 5.471 1.00 0.00 C ATOM 790 CD2 PHE A 48 109.171 -1.192 7.816 1.00 0.00 C ATOM 791 CE1 PHE A 48 108.270 -2.796 5.704 1.00 0.00 C ATOM 792 CE2 PHE A 48 108.202 -2.183 8.044 1.00 0.00 C ATOM 793 CZ PHE A 48 107.756 -2.984 6.987 1.00 0.00 C ATOM 0 H PHE A 48 111.017 -2.407 5.941 1.00 0.00 H new ATOM 0 HA PHE A 48 111.319 -0.263 4.215 1.00 0.00 H new ATOM 0 HB2 PHE A 48 111.295 0.270 7.175 1.00 0.00 H new ATOM 0 HB3 PHE A 48 110.302 0.968 5.911 1.00 0.00 H new ATOM 0 HD1 PHE A 48 109.613 -1.664 4.474 1.00 0.00 H new ATOM 0 HD2 PHE A 48 109.521 -0.578 8.633 1.00 0.00 H new ATOM 0 HE1 PHE A 48 107.927 -3.417 4.890 1.00 0.00 H new ATOM 0 HE2 PHE A 48 107.801 -2.327 9.036 1.00 0.00 H new ATOM 0 HZ PHE A 48 107.014 -3.748 7.165 1.00 0.00 H new ATOM 803 N SER A 49 114.005 -0.671 5.913 1.00 0.00 N ATOM 804 CA SER A 49 115.389 -0.148 6.040 1.00 0.00 C ATOM 805 C SER A 49 116.067 -0.248 4.672 1.00 0.00 C ATOM 806 O SER A 49 116.820 0.621 4.268 1.00 0.00 O ATOM 807 CB SER A 49 116.164 -0.982 7.062 1.00 0.00 C ATOM 808 OG SER A 49 115.489 -0.938 8.312 1.00 0.00 O ATOM 0 H SER A 49 113.853 -1.603 6.298 1.00 0.00 H new ATOM 0 HA SER A 49 115.370 0.889 6.376 1.00 0.00 H new ATOM 0 HB2 SER A 49 116.249 -2.013 6.718 1.00 0.00 H new ATOM 0 HB3 SER A 49 117.178 -0.597 7.169 1.00 0.00 H new ATOM 0 HG SER A 49 115.982 -1.473 8.969 1.00 0.00 H new ATOM 814 N SER A 50 115.783 -1.295 3.938 1.00 0.00 N ATOM 815 CA SER A 50 116.392 -1.442 2.590 1.00 0.00 C ATOM 816 C SER A 50 115.543 -0.649 1.601 1.00 0.00 C ATOM 817 O SER A 50 116.052 0.086 0.782 1.00 0.00 O ATOM 818 CB SER A 50 116.434 -2.922 2.200 1.00 0.00 C ATOM 819 OG SER A 50 117.770 -3.394 2.306 1.00 0.00 O ATOM 0 H SER A 50 115.157 -2.050 4.217 1.00 0.00 H new ATOM 0 HA SER A 50 117.414 -1.063 2.586 1.00 0.00 H new ATOM 0 HB2 SER A 50 115.778 -3.501 2.850 1.00 0.00 H new ATOM 0 HB3 SER A 50 116.069 -3.053 1.181 1.00 0.00 H new ATOM 0 HG SER A 50 117.803 -4.342 2.059 1.00 0.00 H new ATOM 825 N VAL A 51 114.245 -0.764 1.698 1.00 0.00 N ATOM 826 CA VAL A 51 113.368 0.020 0.790 1.00 0.00 C ATOM 827 C VAL A 51 113.612 1.491 1.114 1.00 0.00 C ATOM 828 O VAL A 51 113.545 2.357 0.265 1.00 0.00 O ATOM 829 CB VAL A 51 111.892 -0.331 1.046 1.00 0.00 C ATOM 830 CG1 VAL A 51 111.111 -0.347 -0.278 1.00 0.00 C ATOM 831 CG2 VAL A 51 111.803 -1.712 1.702 1.00 0.00 C ATOM 0 H VAL A 51 113.759 -1.365 2.364 1.00 0.00 H new ATOM 0 HA VAL A 51 113.589 -0.200 -0.255 1.00 0.00 H new ATOM 0 HB VAL A 51 111.459 0.422 1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 51 110.068 -0.597 -0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 51 111.167 0.636 -0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 51 111.543 -1.092 -0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 51 110.758 -1.962 1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 51 112.245 -2.458 1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 51 112.343 -1.701 2.649 1.00 0.00 H new ATOM 841 N ALA A 52 113.921 1.761 2.356 1.00 0.00 N ATOM 842 CA ALA A 52 114.204 3.156 2.777 1.00 0.00 C ATOM 843 C ALA A 52 115.355 3.672 1.921 1.00 0.00 C ATOM 844 O ALA A 52 115.246 4.678 1.247 1.00 0.00 O ATOM 845 CB ALA A 52 114.617 3.177 4.253 1.00 0.00 C ATOM 0 H ALA A 52 113.989 1.066 3.099 1.00 0.00 H new ATOM 0 HA ALA A 52 113.319 3.780 2.652 1.00 0.00 H new ATOM 0 HB1 ALA A 52 114.824 4.203 4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 52 113.809 2.773 4.863 1.00 0.00 H new ATOM 0 HB3 ALA A 52 115.512 2.570 4.389 1.00 0.00 H new ATOM 851 N ALA A 53 116.458 2.969 1.929 1.00 0.00 N ATOM 852 CA ALA A 53 117.615 3.399 1.098 1.00 0.00 C ATOM 853 C ALA A 53 117.212 3.315 -0.372 1.00 0.00 C ATOM 854 O ALA A 53 117.647 4.098 -1.192 1.00 0.00 O ATOM 855 CB ALA A 53 118.808 2.477 1.359 1.00 0.00 C ATOM 0 H ALA A 53 116.605 2.119 2.474 1.00 0.00 H new ATOM 0 HA ALA A 53 117.898 4.421 1.351 1.00 0.00 H new ATOM 0 HB1 ALA A 53 119.654 2.795 0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 53 119.082 2.526 2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 53 118.539 1.453 1.101 1.00 0.00 H new ATOM 861 N THR A 54 116.367 2.377 -0.709 1.00 0.00 N ATOM 862 CA THR A 54 115.921 2.256 -2.121 1.00 0.00 C ATOM 863 C THR A 54 115.238 3.560 -2.515 1.00 0.00 C ATOM 864 O THR A 54 115.328 4.008 -3.641 1.00 0.00 O ATOM 865 CB THR A 54 114.926 1.093 -2.261 1.00 0.00 C ATOM 866 OG1 THR A 54 115.465 -0.064 -1.639 1.00 0.00 O ATOM 867 CG2 THR A 54 114.668 0.802 -3.741 1.00 0.00 C ATOM 0 H THR A 54 115.969 1.692 -0.066 1.00 0.00 H new ATOM 0 HA THR A 54 116.777 2.062 -2.767 1.00 0.00 H new ATOM 0 HB THR A 54 113.986 1.365 -1.781 1.00 0.00 H new ATOM 0 HG1 THR A 54 115.518 0.080 -0.671 1.00 0.00 H new ATOM 0 HG21 THR A 54 113.962 -0.023 -3.832 1.00 0.00 H new ATOM 0 HG22 THR A 54 114.253 1.689 -4.219 1.00 0.00 H new ATOM 0 HG23 THR A 54 115.605 0.533 -4.228 1.00 0.00 H new ATOM 875 N CYS A 55 114.561 4.188 -1.590 1.00 0.00 N ATOM 876 CA CYS A 55 113.885 5.461 -1.929 1.00 0.00 C ATOM 877 C CYS A 55 114.921 6.585 -1.981 1.00 0.00 C ATOM 878 O CYS A 55 114.599 7.747 -1.830 1.00 0.00 O ATOM 879 CB CYS A 55 112.810 5.778 -0.888 1.00 0.00 C ATOM 880 SG CYS A 55 111.490 6.736 -1.672 1.00 0.00 S ATOM 0 H CYS A 55 114.451 3.874 -0.626 1.00 0.00 H new ATOM 0 HA CYS A 55 113.405 5.369 -2.903 1.00 0.00 H new ATOM 0 HB2 CYS A 55 112.408 4.855 -0.470 1.00 0.00 H new ATOM 0 HB3 CYS A 55 113.242 6.341 -0.061 1.00 0.00 H new ATOM 885 N GLN A 56 116.167 6.242 -2.191 1.00 0.00 N ATOM 886 CA GLN A 56 117.237 7.280 -2.251 1.00 0.00 C ATOM 887 C GLN A 56 117.851 7.323 -3.655 1.00 0.00 C ATOM 888 O GLN A 56 118.591 8.229 -3.984 1.00 0.00 O ATOM 889 CB GLN A 56 118.328 6.938 -1.233 1.00 0.00 C ATOM 890 CG GLN A 56 119.243 8.149 -1.037 1.00 0.00 C ATOM 891 CD GLN A 56 120.243 7.857 0.083 1.00 0.00 C ATOM 892 OE1 GLN A 56 120.381 6.633 0.516 1.00 0.00 O flip ATOM 893 NE2 GLN A 56 120.907 8.751 0.569 1.00 0.00 N flip ATOM 0 H GLN A 56 116.489 5.283 -2.324 1.00 0.00 H new ATOM 0 HA GLN A 56 116.804 8.254 -2.021 1.00 0.00 H new ATOM 0 HB2 GLN A 56 117.877 6.653 -0.283 1.00 0.00 H new ATOM 0 HB3 GLN A 56 118.908 6.083 -1.580 1.00 0.00 H new ATOM 0 HG2 GLN A 56 119.773 8.371 -1.963 1.00 0.00 H new ATOM 0 HG3 GLN A 56 118.650 9.030 -0.789 1.00 0.00 H new ATOM 0 HE21 GLN A 56 120.800 9.707 0.231 1.00 0.00 H new ATOM 0 HE22 GLN A 56 121.572 8.545 1.315 1.00 0.00 H new ATOM 902 N THR A 57 117.560 6.359 -4.491 1.00 0.00 N ATOM 903 CA THR A 57 118.150 6.379 -5.867 1.00 0.00 C ATOM 904 C THR A 57 117.520 7.520 -6.672 1.00 0.00 C ATOM 905 O THR A 57 116.460 8.009 -6.339 1.00 0.00 O ATOM 906 CB THR A 57 117.885 5.040 -6.575 1.00 0.00 C ATOM 907 OG1 THR A 57 117.398 5.284 -7.888 1.00 0.00 O ATOM 908 CG2 THR A 57 116.849 4.235 -5.794 1.00 0.00 C ATOM 0 H THR A 57 116.948 5.569 -4.286 1.00 0.00 H new ATOM 0 HA THR A 57 119.227 6.532 -5.793 1.00 0.00 H new ATOM 0 HB THR A 57 118.816 4.475 -6.628 1.00 0.00 H new ATOM 0 HG1 THR A 57 118.025 4.914 -8.544 1.00 0.00 H new ATOM 0 HG21 THR A 57 116.666 3.288 -6.301 1.00 0.00 H new ATOM 0 HG22 THR A 57 117.221 4.042 -4.788 1.00 0.00 H new ATOM 0 HG23 THR A 57 115.919 4.800 -5.734 1.00 0.00 H new ATOM 916 N PRO A 58 118.167 7.939 -7.728 1.00 0.00 N ATOM 917 CA PRO A 58 117.666 9.035 -8.598 1.00 0.00 C ATOM 918 C PRO A 58 116.138 9.033 -8.697 1.00 0.00 C ATOM 919 O PRO A 58 115.534 8.061 -9.104 1.00 0.00 O ATOM 920 CB PRO A 58 118.308 8.715 -9.946 1.00 0.00 C ATOM 921 CG PRO A 58 119.610 8.049 -9.611 1.00 0.00 C ATOM 922 CD PRO A 58 119.451 7.414 -8.217 1.00 0.00 C ATOM 0 HA PRO A 58 117.917 10.026 -8.220 1.00 0.00 H new ATOM 0 HB2 PRO A 58 117.671 8.059 -10.540 1.00 0.00 H new ATOM 0 HB3 PRO A 58 118.468 9.620 -10.531 1.00 0.00 H new ATOM 0 HG2 PRO A 58 119.856 7.290 -10.354 1.00 0.00 H new ATOM 0 HG3 PRO A 58 120.424 8.773 -9.613 1.00 0.00 H new ATOM 0 HD2 PRO A 58 119.441 6.326 -8.274 1.00 0.00 H new ATOM 0 HD3 PRO A 58 120.273 7.691 -7.557 1.00 0.00 H new ATOM 930 N LYS A 59 115.507 10.109 -8.310 1.00 0.00 N ATOM 931 CA LYS A 59 114.018 10.157 -8.364 1.00 0.00 C ATOM 932 C LYS A 59 113.548 10.578 -9.756 1.00 0.00 C ATOM 933 O LYS A 59 114.273 10.487 -10.726 1.00 0.00 O ATOM 934 CB LYS A 59 113.502 11.164 -7.332 1.00 0.00 C ATOM 935 CG LYS A 59 114.124 12.544 -7.597 1.00 0.00 C ATOM 936 CD LYS A 59 114.818 13.062 -6.331 1.00 0.00 C ATOM 937 CE LYS A 59 115.718 14.248 -6.686 1.00 0.00 C ATOM 938 NZ LYS A 59 117.021 13.744 -7.206 1.00 0.00 N ATOM 0 H LYS A 59 115.957 10.955 -7.960 1.00 0.00 H new ATOM 0 HA LYS A 59 113.627 9.164 -8.143 1.00 0.00 H new ATOM 0 HB2 LYS A 59 112.415 11.228 -7.385 1.00 0.00 H new ATOM 0 HB3 LYS A 59 113.753 10.829 -6.326 1.00 0.00 H new ATOM 0 HG2 LYS A 59 114.843 12.477 -8.413 1.00 0.00 H new ATOM 0 HG3 LYS A 59 113.351 13.246 -7.910 1.00 0.00 H new ATOM 0 HD2 LYS A 59 114.074 13.365 -5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 59 115.410 12.267 -5.877 1.00 0.00 H new ATOM 0 HE2 LYS A 59 115.233 14.875 -7.435 1.00 0.00 H new ATOM 0 HE3 LYS A 59 115.881 14.871 -5.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 117.633 14.549 -7.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 117.484 13.163 -6.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 116.856 13.167 -8.056 1.00 0.00 H new ATOM 952 N ILE A 60 112.327 11.030 -9.852 1.00 0.00 N ATOM 953 CA ILE A 60 111.777 11.452 -11.172 1.00 0.00 C ATOM 954 C ILE A 60 110.644 12.456 -10.943 1.00 0.00 C ATOM 955 O ILE A 60 109.994 12.445 -9.918 1.00 0.00 O ATOM 956 CB ILE A 60 111.226 10.218 -11.906 1.00 0.00 C ATOM 957 CG1 ILE A 60 110.940 9.108 -10.882 1.00 0.00 C ATOM 958 CG2 ILE A 60 112.250 9.715 -12.929 1.00 0.00 C ATOM 959 CD1 ILE A 60 109.943 8.096 -11.456 1.00 0.00 C ATOM 0 H ILE A 60 111.683 11.126 -9.067 1.00 0.00 H new ATOM 0 HA ILE A 60 112.561 11.914 -11.772 1.00 0.00 H new ATOM 0 HB ILE A 60 110.307 10.489 -12.426 1.00 0.00 H new ATOM 0 HG12 ILE A 60 111.868 8.603 -10.615 1.00 0.00 H new ATOM 0 HG13 ILE A 60 110.540 9.543 -9.966 1.00 0.00 H new ATOM 0 HG21 ILE A 60 111.851 8.841 -13.444 1.00 0.00 H new ATOM 0 HG22 ILE A 60 112.455 10.501 -13.655 1.00 0.00 H new ATOM 0 HG23 ILE A 60 113.173 9.444 -12.417 1.00 0.00 H new ATOM 0 HD11 ILE A 60 109.751 7.316 -10.719 1.00 0.00 H new ATOM 0 HD12 ILE A 60 109.009 8.603 -11.700 1.00 0.00 H new ATOM 0 HD13 ILE A 60 110.359 7.648 -12.358 1.00 0.00 H new ATOM 971 N ALA A 61 110.395 13.318 -11.892 1.00 0.00 N ATOM 972 CA ALA A 61 109.296 14.311 -11.721 1.00 0.00 C ATOM 973 C ALA A 61 107.985 13.569 -11.467 1.00 0.00 C ATOM 974 O ALA A 61 107.197 13.355 -12.367 1.00 0.00 O ATOM 975 CB ALA A 61 109.162 15.159 -12.987 1.00 0.00 C ATOM 0 H ALA A 61 110.903 13.377 -12.775 1.00 0.00 H new ATOM 0 HA ALA A 61 109.523 14.961 -10.876 1.00 0.00 H new ATOM 0 HB1 ALA A 61 108.358 15.883 -12.857 1.00 0.00 H new ATOM 0 HB2 ALA A 61 110.098 15.686 -13.173 1.00 0.00 H new ATOM 0 HB3 ALA A 61 108.935 14.513 -13.835 1.00 0.00 H new ATOM 981 N CYS A 62 107.748 13.173 -10.247 1.00 0.00 N ATOM 982 CA CYS A 62 106.492 12.441 -9.924 1.00 0.00 C ATOM 983 C CYS A 62 105.309 13.113 -10.630 1.00 0.00 C ATOM 984 O CYS A 62 104.821 12.631 -11.633 1.00 0.00 O ATOM 985 CB CYS A 62 106.283 12.460 -8.403 1.00 0.00 C ATOM 986 SG CYS A 62 106.614 10.814 -7.730 1.00 0.00 S ATOM 0 H CYS A 62 108.374 13.326 -9.456 1.00 0.00 H new ATOM 0 HA CYS A 62 106.563 11.409 -10.267 1.00 0.00 H new ATOM 0 HB2 CYS A 62 106.946 13.193 -7.943 1.00 0.00 H new ATOM 0 HB3 CYS A 62 105.262 12.762 -8.169 1.00 0.00 H new ATOM 991 N LYS A 63 104.850 14.220 -10.122 1.00 0.00 N ATOM 992 CA LYS A 63 103.706 14.917 -10.773 1.00 0.00 C ATOM 993 C LYS A 63 104.199 15.611 -12.043 1.00 0.00 C ATOM 994 O LYS A 63 103.898 15.205 -13.148 1.00 0.00 O ATOM 995 CB LYS A 63 103.134 15.963 -9.812 1.00 0.00 C ATOM 996 CG LYS A 63 102.283 15.273 -8.738 1.00 0.00 C ATOM 997 CD LYS A 63 100.847 15.099 -9.244 1.00 0.00 C ATOM 998 CE LYS A 63 99.994 14.461 -8.146 1.00 0.00 C ATOM 999 NZ LYS A 63 100.565 13.134 -7.781 1.00 0.00 N ATOM 0 H LYS A 63 105.216 14.673 -9.285 1.00 0.00 H new ATOM 0 HA LYS A 63 102.931 14.194 -11.026 1.00 0.00 H new ATOM 0 HB2 LYS A 63 103.945 16.521 -9.343 1.00 0.00 H new ATOM 0 HB3 LYS A 63 102.528 16.683 -10.362 1.00 0.00 H new ATOM 0 HG2 LYS A 63 102.711 14.302 -8.491 1.00 0.00 H new ATOM 0 HG3 LYS A 63 102.286 15.865 -7.823 1.00 0.00 H new ATOM 0 HD2 LYS A 63 100.430 16.065 -9.528 1.00 0.00 H new ATOM 0 HD3 LYS A 63 100.838 14.473 -10.136 1.00 0.00 H new ATOM 0 HE2 LYS A 63 99.965 15.110 -7.270 1.00 0.00 H new ATOM 0 HE3 LYS A 63 98.967 14.344 -8.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 99.842 12.567 -7.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 100.870 12.638 -8.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 101.382 13.269 -7.152 1.00 0.00 H new ATOM 1013 N ASN A 64 104.960 16.653 -11.883 1.00 0.00 N ATOM 1014 CA ASN A 64 105.496 17.393 -13.059 1.00 0.00 C ATOM 1015 C ASN A 64 106.805 18.054 -12.639 1.00 0.00 C ATOM 1016 O ASN A 64 107.240 19.035 -13.208 1.00 0.00 O ATOM 1017 CB ASN A 64 104.496 18.465 -13.490 1.00 0.00 C ATOM 1018 CG ASN A 64 103.354 17.815 -14.274 1.00 0.00 C ATOM 1019 OD1 ASN A 64 103.630 16.929 -15.191 1.00 0.00 O flip ATOM 1020 ND2 ASN A 64 102.199 18.117 -14.048 1.00 0.00 N flip ATOM 0 H ASN A 64 105.238 17.030 -10.977 1.00 0.00 H new ATOM 0 HA ASN A 64 105.663 16.713 -13.894 1.00 0.00 H new ATOM 0 HB2 ASN A 64 104.102 18.982 -12.615 1.00 0.00 H new ATOM 0 HB3 ASN A 64 104.993 19.214 -14.106 1.00 0.00 H new ATOM 0 HD21 ASN A 64 101.984 18.810 -13.331 1.00 0.00 H new ATOM 0 HD22 ASN A 64 101.444 17.678 -14.575 1.00 0.00 H new ATOM 1027 N GLY A 65 107.422 17.514 -11.629 1.00 0.00 N ATOM 1028 CA GLY A 65 108.699 18.083 -11.123 1.00 0.00 C ATOM 1029 C GLY A 65 108.788 17.815 -9.621 1.00 0.00 C ATOM 1030 O GLY A 65 109.691 18.273 -8.949 1.00 0.00 O ATOM 0 H GLY A 65 107.091 16.691 -11.125 1.00 0.00 H new ATOM 0 HA2 GLY A 65 109.546 17.631 -11.639 1.00 0.00 H new ATOM 0 HA3 GLY A 65 108.741 19.154 -11.320 1.00 0.00 H new ATOM 1034 N ASP A 66 107.851 17.073 -9.089 1.00 0.00 N ATOM 1035 CA ASP A 66 107.876 16.772 -7.629 1.00 0.00 C ATOM 1036 C ASP A 66 109.208 16.113 -7.272 1.00 0.00 C ATOM 1037 O ASP A 66 109.753 16.333 -6.209 1.00 0.00 O ATOM 1038 CB ASP A 66 106.724 15.819 -7.283 1.00 0.00 C ATOM 1039 CG ASP A 66 105.569 16.603 -6.653 1.00 0.00 C ATOM 1040 OD1 ASP A 66 105.835 17.416 -5.784 1.00 0.00 O ATOM 1041 OD2 ASP A 66 104.438 16.375 -7.050 1.00 0.00 O ATOM 0 H ASP A 66 107.071 16.664 -9.603 1.00 0.00 H new ATOM 0 HA ASP A 66 107.763 17.697 -7.063 1.00 0.00 H new ATOM 0 HB2 ASP A 66 106.380 15.309 -8.183 1.00 0.00 H new ATOM 0 HB3 ASP A 66 107.072 15.050 -6.593 1.00 0.00 H new ATOM 1046 N LYS A 67 109.735 15.302 -8.147 1.00 0.00 N ATOM 1047 CA LYS A 67 111.027 14.633 -7.845 1.00 0.00 C ATOM 1048 C LYS A 67 110.926 13.951 -6.478 1.00 0.00 C ATOM 1049 O LYS A 67 111.781 14.116 -5.630 1.00 0.00 O ATOM 1050 CB LYS A 67 112.139 15.688 -7.820 1.00 0.00 C ATOM 1051 CG LYS A 67 112.597 15.981 -9.252 1.00 0.00 C ATOM 1052 CD LYS A 67 113.742 17.002 -9.234 1.00 0.00 C ATOM 1053 CE LYS A 67 113.173 18.420 -9.141 1.00 0.00 C ATOM 1054 NZ LYS A 67 114.283 19.408 -9.256 1.00 0.00 N ATOM 0 H LYS A 67 109.327 15.075 -9.054 1.00 0.00 H new ATOM 0 HA LYS A 67 111.253 13.886 -8.606 1.00 0.00 H new ATOM 0 HB2 LYS A 67 111.778 16.602 -7.348 1.00 0.00 H new ATOM 0 HB3 LYS A 67 112.979 15.332 -7.224 1.00 0.00 H new ATOM 0 HG2 LYS A 67 112.926 15.060 -9.734 1.00 0.00 H new ATOM 0 HG3 LYS A 67 111.763 16.367 -9.838 1.00 0.00 H new ATOM 0 HD2 LYS A 67 114.400 16.809 -8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 67 114.345 16.901 -10.136 1.00 0.00 H new ATOM 0 HE2 LYS A 67 112.443 18.583 -9.934 1.00 0.00 H new ATOM 0 HE3 LYS A 67 112.650 18.552 -8.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 113.898 20.372 -9.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 114.964 19.256 -8.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 114.763 19.286 -10.171 1.00 0.00 H new ATOM 1068 N ASN A 68 109.876 13.199 -6.249 1.00 0.00 N ATOM 1069 CA ASN A 68 109.714 12.524 -4.923 1.00 0.00 C ATOM 1070 C ASN A 68 109.614 11.001 -5.086 1.00 0.00 C ATOM 1071 O ASN A 68 109.541 10.279 -4.102 1.00 0.00 O ATOM 1072 CB ASN A 68 108.438 13.039 -4.253 1.00 0.00 C ATOM 1073 CG ASN A 68 108.316 12.433 -2.854 1.00 0.00 C ATOM 1074 OD1 ASN A 68 109.280 11.935 -2.308 1.00 0.00 O ATOM 1075 ND2 ASN A 68 107.161 12.455 -2.246 1.00 0.00 N ATOM 0 H ASN A 68 109.128 13.024 -6.920 1.00 0.00 H new ATOM 0 HA ASN A 68 110.587 12.750 -4.311 1.00 0.00 H new ATOM 0 HB2 ASN A 68 108.462 14.127 -4.189 1.00 0.00 H new ATOM 0 HB3 ASN A 68 107.567 12.774 -4.853 1.00 0.00 H new ATOM 0 HD21 ASN A 68 107.068 12.054 -1.313 1.00 0.00 H new ATOM 0 HD22 ASN A 68 106.351 12.873 -2.704 1.00 0.00 H new ATOM 1082 N CYS A 69 109.614 10.497 -6.303 1.00 0.00 N ATOM 1083 CA CYS A 69 109.520 9.024 -6.501 1.00 0.00 C ATOM 1084 C CYS A 69 110.927 8.439 -6.550 1.00 0.00 C ATOM 1085 O CYS A 69 111.892 9.140 -6.758 1.00 0.00 O ATOM 1086 CB CYS A 69 108.793 8.719 -7.819 1.00 0.00 C ATOM 1087 SG CYS A 69 108.333 10.266 -8.635 1.00 0.00 S ATOM 0 H CYS A 69 109.675 11.047 -7.160 1.00 0.00 H new ATOM 0 HA CYS A 69 108.962 8.581 -5.676 1.00 0.00 H new ATOM 0 HB2 CYS A 69 109.436 8.130 -8.472 1.00 0.00 H new ATOM 0 HB3 CYS A 69 107.903 8.121 -7.624 1.00 0.00 H new ATOM 1092 N HIS A 70 111.049 7.159 -6.371 1.00 0.00 N ATOM 1093 CA HIS A 70 112.393 6.524 -6.415 1.00 0.00 C ATOM 1094 C HIS A 70 112.226 5.098 -6.911 1.00 0.00 C ATOM 1095 O HIS A 70 111.552 4.298 -6.296 1.00 0.00 O ATOM 1096 CB HIS A 70 112.991 6.485 -5.011 1.00 0.00 C ATOM 1097 CG HIS A 70 113.700 7.773 -4.698 1.00 0.00 C ATOM 1098 ND1 HIS A 70 115.072 7.832 -4.499 1.00 0.00 N ATOM 1099 CD2 HIS A 70 113.241 9.051 -4.522 1.00 0.00 C ATOM 1100 CE1 HIS A 70 115.387 9.110 -4.218 1.00 0.00 C ATOM 1101 NE2 HIS A 70 114.307 9.891 -4.220 1.00 0.00 N ATOM 0 H HIS A 70 110.273 6.520 -6.195 1.00 0.00 H new ATOM 0 HA HIS A 70 113.050 7.092 -7.073 1.00 0.00 H new ATOM 0 HB2 HIS A 70 112.202 6.312 -4.279 1.00 0.00 H new ATOM 0 HB3 HIS A 70 113.689 5.651 -4.931 1.00 0.00 H new ATOM 0 HD2 HIS A 70 112.209 9.359 -4.605 1.00 0.00 H new ATOM 0 HE1 HIS A 70 116.389 9.459 -4.016 1.00 0.00 H new ATOM 0 HE2 HIS A 70 114.270 10.894 -4.038 1.00 0.00 H new ATOM 1110 N GLN A 71 112.826 4.771 -8.013 1.00 0.00 N ATOM 1111 CA GLN A 71 112.680 3.389 -8.547 1.00 0.00 C ATOM 1112 C GLN A 71 113.827 2.503 -8.062 1.00 0.00 C ATOM 1113 O GLN A 71 114.970 2.911 -7.999 1.00 0.00 O ATOM 1114 CB GLN A 71 112.620 3.444 -10.081 1.00 0.00 C ATOM 1115 CG GLN A 71 113.519 2.373 -10.718 1.00 0.00 C ATOM 1116 CD GLN A 71 114.985 2.799 -10.611 1.00 0.00 C ATOM 1117 OE1 GLN A 71 115.283 3.879 -10.140 1.00 0.00 O ATOM 1118 NE2 GLN A 71 115.919 1.991 -11.031 1.00 0.00 N ATOM 0 H GLN A 71 113.410 5.395 -8.569 1.00 0.00 H new ATOM 0 HA GLN A 71 111.754 2.949 -8.178 1.00 0.00 H new ATOM 0 HB2 GLN A 71 111.591 3.301 -10.411 1.00 0.00 H new ATOM 0 HB3 GLN A 71 112.930 4.431 -10.423 1.00 0.00 H new ATOM 0 HG2 GLN A 71 113.371 1.416 -10.218 1.00 0.00 H new ATOM 0 HG3 GLN A 71 113.247 2.231 -11.764 1.00 0.00 H new ATOM 0 HE21 GLN A 71 115.669 1.084 -11.426 1.00 0.00 H new ATOM 0 HE22 GLN A 71 116.899 2.266 -10.964 1.00 0.00 H new ATOM 1127 N SER A 72 113.511 1.284 -7.718 1.00 0.00 N ATOM 1128 CA SER A 72 114.554 0.341 -7.233 1.00 0.00 C ATOM 1129 C SER A 72 115.630 0.173 -8.307 1.00 0.00 C ATOM 1130 O SER A 72 115.351 0.209 -9.489 1.00 0.00 O ATOM 1131 CB SER A 72 113.912 -1.016 -6.941 1.00 0.00 C ATOM 1132 OG SER A 72 114.879 -2.042 -7.124 1.00 0.00 O ATOM 0 H SER A 72 112.567 0.900 -7.753 1.00 0.00 H new ATOM 0 HA SER A 72 115.007 0.735 -6.324 1.00 0.00 H new ATOM 0 HB2 SER A 72 113.530 -1.038 -5.920 1.00 0.00 H new ATOM 0 HB3 SER A 72 113.062 -1.179 -7.603 1.00 0.00 H new ATOM 0 HG SER A 72 114.453 -2.824 -7.532 1.00 0.00 H new ATOM 1138 N HIS A 73 116.857 -0.013 -7.907 1.00 0.00 N ATOM 1139 CA HIS A 73 117.949 -0.187 -8.906 1.00 0.00 C ATOM 1140 C HIS A 73 117.926 -1.624 -9.430 1.00 0.00 C ATOM 1141 O HIS A 73 118.924 -2.147 -9.886 1.00 0.00 O ATOM 1142 CB HIS A 73 119.297 0.092 -8.233 1.00 0.00 C ATOM 1143 CG HIS A 73 119.660 1.543 -8.404 1.00 0.00 C ATOM 1144 ND1 HIS A 73 120.967 1.996 -8.290 1.00 0.00 N ATOM 1145 CD2 HIS A 73 118.902 2.652 -8.686 1.00 0.00 C ATOM 1146 CE1 HIS A 73 120.956 3.325 -8.501 1.00 0.00 C ATOM 1147 NE2 HIS A 73 119.723 3.772 -8.747 1.00 0.00 N ATOM 0 H HIS A 73 117.151 -0.052 -6.931 1.00 0.00 H new ATOM 0 HA HIS A 73 117.806 0.506 -9.735 1.00 0.00 H new ATOM 0 HB2 HIS A 73 119.243 -0.157 -7.173 1.00 0.00 H new ATOM 0 HB3 HIS A 73 120.070 -0.540 -8.670 1.00 0.00 H new ATOM 0 HD1 HIS A 73 121.787 1.425 -8.084 1.00 0.00 H new ATOM 0 HD2 HIS A 73 117.833 2.654 -8.837 1.00 0.00 H new ATOM 0 HE1 HIS A 73 121.835 3.952 -8.475 1.00 0.00 H new ATOM 1156 N GLY A 74 116.796 -2.267 -9.368 1.00 0.00 N ATOM 1157 CA GLY A 74 116.709 -3.670 -9.860 1.00 0.00 C ATOM 1158 C GLY A 74 115.365 -4.272 -9.451 1.00 0.00 C ATOM 1159 O GLY A 74 114.530 -3.607 -8.870 1.00 0.00 O ATOM 0 H GLY A 74 115.927 -1.882 -8.998 1.00 0.00 H new ATOM 0 HA2 GLY A 74 116.815 -3.693 -10.945 1.00 0.00 H new ATOM 0 HA3 GLY A 74 117.525 -4.263 -9.447 1.00 0.00 H new ATOM 1163 N PRO A 75 115.159 -5.524 -9.756 1.00 0.00 N ATOM 1164 CA PRO A 75 113.894 -6.236 -9.422 1.00 0.00 C ATOM 1165 C PRO A 75 113.810 -6.608 -7.937 1.00 0.00 C ATOM 1166 O PRO A 75 114.657 -7.306 -7.416 1.00 0.00 O ATOM 1167 CB PRO A 75 113.951 -7.494 -10.292 1.00 0.00 C ATOM 1168 CG PRO A 75 115.408 -7.760 -10.498 1.00 0.00 C ATOM 1169 CD PRO A 75 116.112 -6.400 -10.457 1.00 0.00 C ATOM 0 HA PRO A 75 113.016 -5.617 -9.608 1.00 0.00 H new ATOM 0 HB2 PRO A 75 113.462 -8.335 -9.801 1.00 0.00 H new ATOM 0 HB3 PRO A 75 113.440 -7.339 -11.242 1.00 0.00 H new ATOM 0 HG2 PRO A 75 115.795 -8.420 -9.721 1.00 0.00 H new ATOM 0 HG3 PRO A 75 115.580 -8.256 -11.453 1.00 0.00 H new ATOM 0 HD2 PRO A 75 117.063 -6.459 -9.928 1.00 0.00 H new ATOM 0 HD3 PRO A 75 116.328 -6.032 -11.460 1.00 0.00 H new ATOM 1177 N VAL A 76 112.789 -6.154 -7.256 1.00 0.00 N ATOM 1178 CA VAL A 76 112.641 -6.487 -5.809 1.00 0.00 C ATOM 1179 C VAL A 76 111.517 -7.507 -5.667 1.00 0.00 C ATOM 1180 O VAL A 76 110.494 -7.410 -6.318 1.00 0.00 O ATOM 1181 CB VAL A 76 112.288 -5.216 -5.016 1.00 0.00 C ATOM 1182 CG1 VAL A 76 111.517 -4.252 -5.912 1.00 0.00 C ATOM 1183 CG2 VAL A 76 111.437 -5.577 -3.789 1.00 0.00 C ATOM 0 H VAL A 76 112.050 -5.566 -7.642 1.00 0.00 H new ATOM 0 HA VAL A 76 113.574 -6.895 -5.420 1.00 0.00 H new ATOM 0 HB VAL A 76 113.209 -4.740 -4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 76 111.268 -3.352 -5.349 1.00 0.00 H new ATOM 0 HG12 VAL A 76 112.131 -3.984 -6.771 1.00 0.00 H new ATOM 0 HG13 VAL A 76 110.600 -4.730 -6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 76 111.193 -4.670 -3.236 1.00 0.00 H new ATOM 0 HG22 VAL A 76 110.517 -6.062 -4.114 1.00 0.00 H new ATOM 0 HG23 VAL A 76 111.996 -6.256 -3.145 1.00 0.00 H new ATOM 1193 N SER A 77 111.687 -8.475 -4.816 1.00 0.00 N ATOM 1194 CA SER A 77 110.611 -9.479 -4.634 1.00 0.00 C ATOM 1195 C SER A 77 109.384 -8.757 -4.085 1.00 0.00 C ATOM 1196 O SER A 77 109.167 -8.706 -2.902 1.00 0.00 O ATOM 1197 CB SER A 77 111.066 -10.550 -3.643 1.00 0.00 C ATOM 1198 OG SER A 77 112.241 -11.179 -4.139 1.00 0.00 O ATOM 0 H SER A 77 112.519 -8.613 -4.242 1.00 0.00 H new ATOM 0 HA SER A 77 110.376 -9.961 -5.583 1.00 0.00 H new ATOM 0 HB2 SER A 77 111.263 -10.101 -2.669 1.00 0.00 H new ATOM 0 HB3 SER A 77 110.277 -11.288 -3.500 1.00 0.00 H new ATOM 0 HG SER A 77 112.537 -11.865 -3.505 1.00 0.00 H new ATOM 1204 N LEU A 78 108.586 -8.184 -4.934 1.00 0.00 N ATOM 1205 CA LEU A 78 107.388 -7.456 -4.444 1.00 0.00 C ATOM 1206 C LEU A 78 106.191 -8.401 -4.419 1.00 0.00 C ATOM 1207 O LEU A 78 106.295 -9.561 -4.766 1.00 0.00 O ATOM 1208 CB LEU A 78 107.095 -6.286 -5.374 1.00 0.00 C ATOM 1209 CG LEU A 78 106.766 -6.797 -6.779 1.00 0.00 C ATOM 1210 CD1 LEU A 78 105.310 -7.284 -6.856 1.00 0.00 C ATOM 1211 CD2 LEU A 78 106.963 -5.653 -7.765 1.00 0.00 C ATOM 0 H LEU A 78 108.710 -8.188 -5.946 1.00 0.00 H new ATOM 0 HA LEU A 78 107.574 -7.084 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 78 106.259 -5.704 -4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 78 107.956 -5.619 -5.414 1.00 0.00 H new ATOM 0 HG LEU A 78 107.422 -7.633 -7.019 1.00 0.00 H new ATOM 0 HD11 LEU A 78 105.099 -7.642 -7.864 1.00 0.00 H new ATOM 0 HD12 LEU A 78 105.159 -8.095 -6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 78 104.638 -6.460 -6.616 1.00 0.00 H new ATOM 0 HD21 LEU A 78 106.733 -5.998 -8.773 1.00 0.00 H new ATOM 0 HD22 LEU A 78 106.299 -4.829 -7.503 1.00 0.00 H new ATOM 0 HD23 LEU A 78 107.998 -5.312 -7.725 1.00 0.00 H new ATOM 1223 N THR A 79 105.054 -7.916 -4.003 1.00 0.00 N ATOM 1224 CA THR A 79 103.846 -8.783 -3.946 1.00 0.00 C ATOM 1225 C THR A 79 102.619 -7.992 -4.396 1.00 0.00 C ATOM 1226 O THR A 79 102.130 -7.133 -3.695 1.00 0.00 O ATOM 1227 CB THR A 79 103.656 -9.266 -2.509 1.00 0.00 C ATOM 1228 OG1 THR A 79 104.395 -10.463 -2.318 1.00 0.00 O ATOM 1229 CG2 THR A 79 102.180 -9.532 -2.226 1.00 0.00 C ATOM 0 H THR A 79 104.910 -6.953 -3.699 1.00 0.00 H new ATOM 0 HA THR A 79 103.972 -9.639 -4.609 1.00 0.00 H new ATOM 0 HB THR A 79 104.011 -8.494 -1.826 1.00 0.00 H new ATOM 0 HG1 THR A 79 105.311 -10.242 -2.049 1.00 0.00 H new ATOM 0 HG21 THR A 79 102.063 -9.875 -1.198 1.00 0.00 H new ATOM 0 HG22 THR A 79 101.611 -8.613 -2.369 1.00 0.00 H new ATOM 0 HG23 THR A 79 101.811 -10.298 -2.909 1.00 0.00 H new ATOM 1237 N MET A 80 102.111 -8.285 -5.558 1.00 0.00 N ATOM 1238 CA MET A 80 100.905 -7.557 -6.041 1.00 0.00 C ATOM 1239 C MET A 80 99.645 -8.270 -5.546 1.00 0.00 C ATOM 1240 O MET A 80 99.300 -9.337 -6.017 1.00 0.00 O ATOM 1241 CB MET A 80 100.897 -7.527 -7.572 1.00 0.00 C ATOM 1242 CG MET A 80 102.316 -7.295 -8.085 1.00 0.00 C ATOM 1243 SD MET A 80 102.282 -7.084 -9.882 1.00 0.00 S ATOM 1244 CE MET A 80 101.992 -5.298 -9.896 1.00 0.00 C ATOM 0 H MET A 80 102.476 -8.994 -6.193 1.00 0.00 H new ATOM 0 HA MET A 80 100.926 -6.537 -5.657 1.00 0.00 H new ATOM 0 HB2 MET A 80 100.507 -8.467 -7.963 1.00 0.00 H new ATOM 0 HB3 MET A 80 100.237 -6.736 -7.927 1.00 0.00 H new ATOM 0 HG2 MET A 80 102.745 -6.411 -7.613 1.00 0.00 H new ATOM 0 HG3 MET A 80 102.953 -8.139 -7.819 1.00 0.00 H new ATOM 0 HE1 MET A 80 102.472 -4.858 -10.770 1.00 0.00 H new ATOM 0 HE2 MET A 80 100.920 -5.104 -9.935 1.00 0.00 H new ATOM 0 HE3 MET A 80 102.409 -4.855 -8.992 1.00 0.00 H new ATOM 1254 N CYS A 81 98.948 -7.692 -4.602 1.00 0.00 N ATOM 1255 CA CYS A 81 97.707 -8.341 -4.098 1.00 0.00 C ATOM 1256 C CYS A 81 96.507 -7.755 -4.832 1.00 0.00 C ATOM 1257 O CYS A 81 96.518 -6.608 -5.228 1.00 0.00 O ATOM 1258 CB CYS A 81 97.546 -8.074 -2.605 1.00 0.00 C ATOM 1259 SG CYS A 81 99.139 -8.260 -1.775 1.00 0.00 S ATOM 0 H CYS A 81 99.185 -6.803 -4.162 1.00 0.00 H new ATOM 0 HA CYS A 81 97.771 -9.416 -4.269 1.00 0.00 H new ATOM 0 HB2 CYS A 81 97.158 -7.068 -2.446 1.00 0.00 H new ATOM 0 HB3 CYS A 81 96.820 -8.767 -2.179 1.00 0.00 H new ATOM 1264 N LYS A 82 95.469 -8.525 -5.015 1.00 0.00 N ATOM 1265 CA LYS A 82 94.277 -8.003 -5.714 1.00 0.00 C ATOM 1266 C LYS A 82 93.032 -8.422 -4.931 1.00 0.00 C ATOM 1267 O LYS A 82 93.040 -9.414 -4.229 1.00 0.00 O ATOM 1268 CB LYS A 82 94.234 -8.576 -7.137 1.00 0.00 C ATOM 1269 CG LYS A 82 93.290 -9.779 -7.180 1.00 0.00 C ATOM 1270 CD LYS A 82 93.471 -10.539 -8.502 1.00 0.00 C ATOM 1271 CE LYS A 82 94.577 -11.587 -8.351 1.00 0.00 C ATOM 1272 NZ LYS A 82 94.047 -12.763 -7.603 1.00 0.00 N ATOM 0 H LYS A 82 95.402 -9.495 -4.707 1.00 0.00 H new ATOM 0 HA LYS A 82 94.315 -6.915 -5.777 1.00 0.00 H new ATOM 0 HB2 LYS A 82 93.897 -7.812 -7.837 1.00 0.00 H new ATOM 0 HB3 LYS A 82 95.235 -8.875 -7.449 1.00 0.00 H new ATOM 0 HG2 LYS A 82 93.493 -10.442 -6.339 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.257 -9.445 -7.081 1.00 0.00 H new ATOM 0 HD2 LYS A 82 92.536 -11.022 -8.785 1.00 0.00 H new ATOM 0 HD3 LYS A 82 93.724 -9.842 -9.301 1.00 0.00 H new ATOM 0 HE2 LYS A 82 94.935 -11.898 -9.333 1.00 0.00 H new ATOM 0 HE3 LYS A 82 95.429 -11.159 -7.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 94.788 -13.139 -6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 93.227 -12.471 -7.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 93.756 -13.500 -8.276 1.00 0.00 H new ATOM 1286 N LEU A 83 91.960 -7.691 -5.043 1.00 0.00 N ATOM 1287 CA LEU A 83 90.738 -8.088 -4.296 1.00 0.00 C ATOM 1288 C LEU A 83 90.112 -9.284 -4.993 1.00 0.00 C ATOM 1289 O LEU A 83 89.566 -9.180 -6.073 1.00 0.00 O ATOM 1290 CB LEU A 83 89.730 -6.934 -4.239 1.00 0.00 C ATOM 1291 CG LEU A 83 88.406 -7.422 -3.627 1.00 0.00 C ATOM 1292 CD1 LEU A 83 88.686 -8.247 -2.375 1.00 0.00 C ATOM 1293 CD2 LEU A 83 87.543 -6.224 -3.231 1.00 0.00 C ATOM 0 H LEU A 83 91.877 -6.848 -5.611 1.00 0.00 H new ATOM 0 HA LEU A 83 91.012 -8.345 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 83 90.135 -6.115 -3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 83 89.555 -6.543 -5.241 1.00 0.00 H new ATOM 0 HG LEU A 83 87.885 -8.030 -4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 83 87.744 -8.589 -1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 83 89.300 -9.109 -2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 83 89.214 -7.633 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 83 86.607 -6.577 -2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 83 88.076 -5.618 -2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 83 87.330 -5.621 -4.114 1.00 0.00 H new ATOM 1305 N THR A 84 90.194 -10.421 -4.377 1.00 0.00 N ATOM 1306 CA THR A 84 89.610 -11.639 -4.993 1.00 0.00 C ATOM 1307 C THR A 84 88.097 -11.467 -5.070 1.00 0.00 C ATOM 1308 O THR A 84 87.506 -11.639 -6.116 1.00 0.00 O ATOM 1309 CB THR A 84 89.966 -12.869 -4.152 1.00 0.00 C ATOM 1310 OG1 THR A 84 89.246 -12.831 -2.930 1.00 0.00 O ATOM 1311 CG2 THR A 84 91.475 -12.886 -3.864 1.00 0.00 C ATOM 0 H THR A 84 90.641 -10.563 -3.471 1.00 0.00 H new ATOM 0 HA THR A 84 90.012 -11.782 -5.996 1.00 0.00 H new ATOM 0 HB THR A 84 89.699 -13.771 -4.703 1.00 0.00 H new ATOM 0 HG1 THR A 84 89.471 -12.011 -2.443 1.00 0.00 H new ATOM 0 HG21 THR A 84 91.721 -13.763 -3.266 1.00 0.00 H new ATOM 0 HG22 THR A 84 92.025 -12.922 -4.805 1.00 0.00 H new ATOM 0 HG23 THR A 84 91.751 -11.984 -3.317 1.00 0.00 H new ATOM 1319 N SER A 85 87.465 -11.099 -3.981 1.00 0.00 N ATOM 1320 CA SER A 85 85.982 -10.890 -4.024 1.00 0.00 C ATOM 1321 C SER A 85 85.376 -10.959 -2.621 1.00 0.00 C ATOM 1322 O SER A 85 85.915 -11.560 -1.715 1.00 0.00 O ATOM 1323 CB SER A 85 85.318 -11.958 -4.898 1.00 0.00 C ATOM 1324 OG SER A 85 85.246 -11.492 -6.239 1.00 0.00 O ATOM 0 H SER A 85 87.904 -10.936 -3.075 1.00 0.00 H new ATOM 0 HA SER A 85 85.802 -9.901 -4.445 1.00 0.00 H new ATOM 0 HB2 SER A 85 85.888 -12.886 -4.854 1.00 0.00 H new ATOM 0 HB3 SER A 85 84.318 -12.180 -4.524 1.00 0.00 H new ATOM 0 HG SER A 85 86.136 -11.209 -6.535 1.00 0.00 H new ATOM 1330 N GLY A 86 84.242 -10.340 -2.457 1.00 0.00 N ATOM 1331 CA GLY A 86 83.545 -10.334 -1.153 1.00 0.00 C ATOM 1332 C GLY A 86 82.724 -9.053 -1.077 1.00 0.00 C ATOM 1333 O GLY A 86 81.530 -9.048 -1.301 1.00 0.00 O ATOM 0 H GLY A 86 83.761 -9.826 -3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 86 82.901 -11.208 -1.059 1.00 0.00 H new ATOM 0 HA3 GLY A 86 84.263 -10.378 -0.334 1.00 0.00 H new ATOM 1337 N LYS A 87 83.372 -7.968 -0.771 1.00 0.00 N ATOM 1338 CA LYS A 87 82.682 -6.651 -0.669 1.00 0.00 C ATOM 1339 C LYS A 87 83.648 -5.693 0.036 1.00 0.00 C ATOM 1340 O LYS A 87 84.834 -5.749 -0.197 1.00 0.00 O ATOM 1341 CB LYS A 87 81.382 -6.805 0.133 1.00 0.00 C ATOM 1342 CG LYS A 87 81.603 -7.784 1.294 1.00 0.00 C ATOM 1343 CD LYS A 87 80.401 -7.748 2.249 1.00 0.00 C ATOM 1344 CE LYS A 87 79.310 -8.690 1.735 1.00 0.00 C ATOM 1345 NZ LYS A 87 78.137 -8.640 2.653 1.00 0.00 N ATOM 0 H LYS A 87 84.374 -7.936 -0.583 1.00 0.00 H new ATOM 0 HA LYS A 87 82.416 -6.265 -1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 87 81.064 -5.836 0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 87 80.585 -7.168 -0.515 1.00 0.00 H new ATOM 0 HG2 LYS A 87 81.740 -8.794 0.908 1.00 0.00 H new ATOM 0 HG3 LYS A 87 82.514 -7.522 1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 87 80.710 -8.046 3.251 1.00 0.00 H new ATOM 0 HD3 LYS A 87 80.013 -6.732 2.324 1.00 0.00 H new ATOM 0 HE2 LYS A 87 79.010 -8.401 0.728 1.00 0.00 H new ATOM 0 HE3 LYS A 87 79.694 -9.708 1.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 77.395 -9.280 2.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 78.429 -8.936 3.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 77.767 -7.669 2.690 1.00 0.00 H new ATOM 1359 N TYR A 88 83.185 -4.829 0.901 1.00 0.00 N ATOM 1360 CA TYR A 88 84.139 -3.920 1.600 1.00 0.00 C ATOM 1361 C TYR A 88 84.436 -4.474 3.007 1.00 0.00 C ATOM 1362 O TYR A 88 85.580 -4.573 3.403 1.00 0.00 O ATOM 1363 CB TYR A 88 83.567 -2.494 1.680 1.00 0.00 C ATOM 1364 CG TYR A 88 83.981 -1.861 2.987 1.00 0.00 C ATOM 1365 CD1 TYR A 88 85.314 -1.942 3.411 1.00 0.00 C ATOM 1366 CD2 TYR A 88 83.029 -1.230 3.787 1.00 0.00 C ATOM 1367 CE1 TYR A 88 85.688 -1.395 4.642 1.00 0.00 C ATOM 1368 CE2 TYR A 88 83.404 -0.673 5.015 1.00 0.00 C ATOM 1369 CZ TYR A 88 84.733 -0.760 5.445 1.00 0.00 C ATOM 1370 OH TYR A 88 85.100 -0.226 6.663 1.00 0.00 O ATOM 0 H TYR A 88 82.203 -4.714 1.151 1.00 0.00 H new ATOM 0 HA TYR A 88 85.070 -3.872 1.035 1.00 0.00 H new ATOM 0 HB2 TYR A 88 83.930 -1.897 0.843 1.00 0.00 H new ATOM 0 HB3 TYR A 88 82.480 -2.521 1.605 1.00 0.00 H new ATOM 0 HD1 TYR A 88 86.051 -2.426 2.788 1.00 0.00 H new ATOM 0 HD2 TYR A 88 82.002 -1.171 3.459 1.00 0.00 H new ATOM 0 HE1 TYR A 88 86.714 -1.462 4.974 1.00 0.00 H new ATOM 0 HE2 TYR A 88 82.668 -0.176 5.630 1.00 0.00 H new ATOM 0 HH TYR A 88 84.317 0.179 7.092 1.00 0.00 H new ATOM 1380 N PRO A 89 83.431 -4.836 3.762 1.00 0.00 N ATOM 1381 CA PRO A 89 83.628 -5.387 5.129 1.00 0.00 C ATOM 1382 C PRO A 89 83.943 -6.892 5.105 1.00 0.00 C ATOM 1383 O PRO A 89 84.097 -7.518 6.135 1.00 0.00 O ATOM 1384 CB PRO A 89 82.284 -5.127 5.805 1.00 0.00 C ATOM 1385 CG PRO A 89 81.279 -5.187 4.700 1.00 0.00 C ATOM 1386 CD PRO A 89 82.003 -4.759 3.415 1.00 0.00 C ATOM 0 HA PRO A 89 84.473 -4.929 5.644 1.00 0.00 H new ATOM 0 HB2 PRO A 89 82.075 -5.875 6.570 1.00 0.00 H new ATOM 0 HB3 PRO A 89 82.271 -4.155 6.298 1.00 0.00 H new ATOM 0 HG2 PRO A 89 80.876 -6.195 4.599 1.00 0.00 H new ATOM 0 HG3 PRO A 89 80.437 -4.526 4.907 1.00 0.00 H new ATOM 0 HD2 PRO A 89 81.759 -5.419 2.582 1.00 0.00 H new ATOM 0 HD3 PRO A 89 81.720 -3.750 3.116 1.00 0.00 H new ATOM 1394 N ASN A 90 84.036 -7.476 3.936 1.00 0.00 N ATOM 1395 CA ASN A 90 84.337 -8.938 3.850 1.00 0.00 C ATOM 1396 C ASN A 90 85.088 -9.237 2.546 1.00 0.00 C ATOM 1397 O ASN A 90 84.902 -10.269 1.931 1.00 0.00 O ATOM 1398 CB ASN A 90 83.028 -9.730 3.876 1.00 0.00 C ATOM 1399 CG ASN A 90 83.328 -11.204 4.154 1.00 0.00 C ATOM 1400 OD1 ASN A 90 83.539 -11.590 5.286 1.00 0.00 O ATOM 1401 ND2 ASN A 90 83.355 -12.050 3.160 1.00 0.00 N ATOM 0 H ASN A 90 83.917 -7.005 3.039 1.00 0.00 H new ATOM 0 HA ASN A 90 84.957 -9.228 4.698 1.00 0.00 H new ATOM 0 HB2 ASN A 90 82.365 -9.332 4.644 1.00 0.00 H new ATOM 0 HB3 ASN A 90 82.509 -9.627 2.923 1.00 0.00 H new ATOM 0 HD21 ASN A 90 83.553 -13.035 3.334 1.00 0.00 H new ATOM 0 HD22 ASN A 90 83.178 -11.726 2.209 1.00 0.00 H new ATOM 1408 N CYS A 91 85.933 -8.338 2.124 1.00 0.00 N ATOM 1409 CA CYS A 91 86.705 -8.545 0.866 1.00 0.00 C ATOM 1410 C CYS A 91 87.947 -9.393 1.158 1.00 0.00 C ATOM 1411 O CYS A 91 88.735 -9.075 2.027 1.00 0.00 O ATOM 1412 CB CYS A 91 87.128 -7.173 0.333 1.00 0.00 C ATOM 1413 SG CYS A 91 86.738 -5.916 1.573 1.00 0.00 S ATOM 0 H CYS A 91 86.124 -7.458 2.603 1.00 0.00 H new ATOM 0 HA CYS A 91 86.093 -9.063 0.127 1.00 0.00 H new ATOM 0 HB2 CYS A 91 88.196 -7.167 0.113 1.00 0.00 H new ATOM 0 HB3 CYS A 91 86.609 -6.955 -0.601 1.00 0.00 H new ATOM 1418 N ARG A 92 88.135 -10.459 0.425 1.00 0.00 N ATOM 1419 CA ARG A 92 89.334 -11.321 0.640 1.00 0.00 C ATOM 1420 C ARG A 92 90.302 -11.092 -0.521 1.00 0.00 C ATOM 1421 O ARG A 92 89.901 -11.061 -1.674 1.00 0.00 O ATOM 1422 CB ARG A 92 88.914 -12.796 0.692 1.00 0.00 C ATOM 1423 CG ARG A 92 87.661 -13.006 -0.158 1.00 0.00 C ATOM 1424 CD ARG A 92 87.327 -14.498 -0.216 1.00 0.00 C ATOM 1425 NE ARG A 92 88.451 -15.234 -0.859 1.00 0.00 N ATOM 1426 CZ ARG A 92 88.521 -16.534 -0.762 1.00 0.00 C ATOM 1427 NH1 ARG A 92 87.605 -17.189 -0.102 1.00 0.00 N ATOM 1428 NH2 ARG A 92 89.505 -17.178 -1.326 1.00 0.00 N ATOM 0 H ARG A 92 87.507 -10.771 -0.316 1.00 0.00 H new ATOM 0 HA ARG A 92 89.816 -11.067 1.584 1.00 0.00 H new ATOM 0 HB2 ARG A 92 89.723 -13.428 0.326 1.00 0.00 H new ATOM 0 HB3 ARG A 92 88.720 -13.093 1.723 1.00 0.00 H new ATOM 0 HG2 ARG A 92 86.824 -12.451 0.266 1.00 0.00 H new ATOM 0 HG3 ARG A 92 87.822 -12.619 -1.164 1.00 0.00 H new ATOM 0 HD2 ARG A 92 87.155 -14.882 0.789 1.00 0.00 H new ATOM 0 HD3 ARG A 92 86.407 -14.654 -0.779 1.00 0.00 H new ATOM 0 HE ARG A 92 89.166 -14.722 -1.375 1.00 0.00 H new ATOM 0 HH11 ARG A 92 86.835 -16.685 0.338 1.00 0.00 H new ATOM 0 HH12 ARG A 92 87.659 -18.205 -0.026 1.00 0.00 H new ATOM 0 HH21 ARG A 92 90.220 -16.666 -1.843 1.00 0.00 H new ATOM 0 HH22 ARG A 92 89.560 -18.194 -1.250 1.00 0.00 H new ATOM 1442 N TYR A 93 91.567 -10.903 -0.228 1.00 0.00 N ATOM 1443 CA TYR A 93 92.559 -10.646 -1.307 1.00 0.00 C ATOM 1444 C TYR A 93 93.505 -11.833 -1.463 1.00 0.00 C ATOM 1445 O TYR A 93 93.634 -12.669 -0.591 1.00 0.00 O ATOM 1446 CB TYR A 93 93.388 -9.415 -0.943 1.00 0.00 C ATOM 1447 CG TYR A 93 92.482 -8.220 -0.793 1.00 0.00 C ATOM 1448 CD1 TYR A 93 91.602 -8.138 0.294 1.00 0.00 C ATOM 1449 CD2 TYR A 93 92.523 -7.193 -1.740 1.00 0.00 C ATOM 1450 CE1 TYR A 93 90.766 -7.028 0.432 1.00 0.00 C ATOM 1451 CE2 TYR A 93 91.687 -6.084 -1.601 1.00 0.00 C ATOM 1452 CZ TYR A 93 90.810 -6.000 -0.517 1.00 0.00 C ATOM 1453 OH TYR A 93 89.996 -4.902 -0.384 1.00 0.00 O ATOM 0 H TYR A 93 91.951 -10.917 0.717 1.00 0.00 H new ATOM 0 HA TYR A 93 92.021 -10.489 -2.242 1.00 0.00 H new ATOM 0 HB2 TYR A 93 93.930 -9.591 -0.014 1.00 0.00 H new ATOM 0 HB3 TYR A 93 94.133 -9.224 -1.716 1.00 0.00 H new ATOM 0 HD1 TYR A 93 91.570 -8.933 1.025 1.00 0.00 H new ATOM 0 HD2 TYR A 93 93.201 -7.257 -2.578 1.00 0.00 H new ATOM 0 HE1 TYR A 93 90.087 -6.963 1.269 1.00 0.00 H new ATOM 0 HE2 TYR A 93 91.718 -5.290 -2.332 1.00 0.00 H new ATOM 0 HH TYR A 93 90.022 -4.586 0.543 1.00 0.00 H new ATOM 1463 N LYS A 94 94.190 -11.878 -2.569 1.00 0.00 N ATOM 1464 CA LYS A 94 95.172 -12.963 -2.825 1.00 0.00 C ATOM 1465 C LYS A 94 96.532 -12.300 -3.014 1.00 0.00 C ATOM 1466 O LYS A 94 96.643 -11.279 -3.670 1.00 0.00 O ATOM 1467 CB LYS A 94 94.785 -13.730 -4.097 1.00 0.00 C ATOM 1468 CG LYS A 94 94.010 -15.001 -3.728 1.00 0.00 C ATOM 1469 CD LYS A 94 94.979 -16.080 -3.232 1.00 0.00 C ATOM 1470 CE LYS A 94 94.295 -17.447 -3.289 1.00 0.00 C ATOM 1471 NZ LYS A 94 94.003 -17.797 -4.708 1.00 0.00 N ATOM 0 H LYS A 94 94.108 -11.194 -3.321 1.00 0.00 H new ATOM 0 HA LYS A 94 95.195 -13.670 -1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 94 94.176 -13.097 -4.742 1.00 0.00 H new ATOM 0 HB3 LYS A 94 95.681 -13.991 -4.661 1.00 0.00 H new ATOM 0 HG2 LYS A 94 93.275 -14.777 -2.955 1.00 0.00 H new ATOM 0 HG3 LYS A 94 93.459 -15.366 -4.595 1.00 0.00 H new ATOM 0 HD2 LYS A 94 95.879 -16.086 -3.847 1.00 0.00 H new ATOM 0 HD3 LYS A 94 95.292 -15.861 -2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 94 94.937 -18.206 -2.841 1.00 0.00 H new ATOM 0 HE3 LYS A 94 93.371 -17.428 -2.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 94.029 -18.830 -4.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 93.060 -17.443 -4.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 94.717 -17.362 -5.327 1.00 0.00 H new ATOM 1485 N GLU A 95 97.561 -12.849 -2.436 1.00 0.00 N ATOM 1486 CA GLU A 95 98.906 -12.226 -2.571 1.00 0.00 C ATOM 1487 C GLU A 95 99.644 -12.836 -3.767 1.00 0.00 C ATOM 1488 O GLU A 95 99.785 -14.037 -3.877 1.00 0.00 O ATOM 1489 CB GLU A 95 99.700 -12.463 -1.275 1.00 0.00 C ATOM 1490 CG GLU A 95 100.522 -13.750 -1.378 1.00 0.00 C ATOM 1491 CD GLU A 95 101.057 -14.127 0.004 1.00 0.00 C ATOM 1492 OE1 GLU A 95 100.262 -14.193 0.927 1.00 0.00 O ATOM 1493 OE2 GLU A 95 102.252 -14.343 0.117 1.00 0.00 O ATOM 0 H GLU A 95 97.530 -13.701 -1.876 1.00 0.00 H new ATOM 0 HA GLU A 95 98.802 -11.154 -2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 95 100.361 -11.617 -1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 95 99.016 -12.528 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 95 99.905 -14.557 -1.773 1.00 0.00 H new ATOM 0 HG3 GLU A 95 101.349 -13.611 -2.074 1.00 0.00 H new ATOM 1500 N LYS A 96 100.125 -12.013 -4.659 1.00 0.00 N ATOM 1501 CA LYS A 96 100.868 -12.541 -5.839 1.00 0.00 C ATOM 1502 C LYS A 96 102.329 -12.109 -5.725 1.00 0.00 C ATOM 1503 O LYS A 96 102.658 -10.955 -5.894 1.00 0.00 O ATOM 1504 CB LYS A 96 100.262 -11.962 -7.122 1.00 0.00 C ATOM 1505 CG LYS A 96 100.754 -12.761 -8.336 1.00 0.00 C ATOM 1506 CD LYS A 96 99.838 -13.966 -8.571 1.00 0.00 C ATOM 1507 CE LYS A 96 100.294 -14.716 -9.824 1.00 0.00 C ATOM 1508 NZ LYS A 96 101.680 -15.224 -9.623 1.00 0.00 N ATOM 0 H LYS A 96 100.036 -10.998 -4.622 1.00 0.00 H new ATOM 0 HA LYS A 96 100.801 -13.628 -5.870 1.00 0.00 H new ATOM 0 HB2 LYS A 96 99.174 -11.997 -7.069 1.00 0.00 H new ATOM 0 HB3 LYS A 96 100.543 -10.914 -7.227 1.00 0.00 H new ATOM 0 HG2 LYS A 96 100.767 -12.124 -9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 96 101.777 -13.098 -8.171 1.00 0.00 H new ATOM 0 HD2 LYS A 96 99.864 -14.630 -7.707 1.00 0.00 H new ATOM 0 HD3 LYS A 96 98.806 -13.635 -8.688 1.00 0.00 H new ATOM 0 HE2 LYS A 96 99.618 -15.546 -10.030 1.00 0.00 H new ATOM 0 HE3 LYS A 96 100.260 -14.054 -10.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 101.874 -15.984 -10.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 102.358 -14.449 -9.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 101.777 -15.594 -8.656 1.00 0.00 H new ATOM 1522 N ARG A 97 103.207 -13.024 -5.431 1.00 0.00 N ATOM 1523 CA ARG A 97 104.646 -12.657 -5.294 1.00 0.00 C ATOM 1524 C ARG A 97 105.266 -12.405 -6.670 1.00 0.00 C ATOM 1525 O ARG A 97 105.475 -13.319 -7.442 1.00 0.00 O ATOM 1526 CB ARG A 97 105.400 -13.799 -4.603 1.00 0.00 C ATOM 1527 CG ARG A 97 106.909 -13.616 -4.804 1.00 0.00 C ATOM 1528 CD ARG A 97 107.669 -14.448 -3.770 1.00 0.00 C ATOM 1529 NE ARG A 97 107.155 -15.847 -3.783 1.00 0.00 N ATOM 1530 CZ ARG A 97 107.604 -16.715 -2.918 1.00 0.00 C ATOM 1531 NH1 ARG A 97 108.503 -16.358 -2.041 1.00 0.00 N ATOM 1532 NH2 ARG A 97 107.154 -17.940 -2.929 1.00 0.00 N ATOM 0 H ARG A 97 102.993 -14.010 -5.279 1.00 0.00 H new ATOM 0 HA ARG A 97 104.721 -11.747 -4.699 1.00 0.00 H new ATOM 0 HB2 ARG A 97 105.164 -13.813 -3.539 1.00 0.00 H new ATOM 0 HB3 ARG A 97 105.082 -14.758 -5.012 1.00 0.00 H new ATOM 0 HG2 ARG A 97 107.192 -13.922 -5.811 1.00 0.00 H new ATOM 0 HG3 ARG A 97 107.174 -12.563 -4.705 1.00 0.00 H new ATOM 0 HD2 ARG A 97 108.736 -14.439 -3.993 1.00 0.00 H new ATOM 0 HD3 ARG A 97 107.547 -14.014 -2.778 1.00 0.00 H new ATOM 0 HE ARG A 97 106.452 -16.126 -4.468 1.00 0.00 H new ATOM 0 HH11 ARG A 97 108.855 -15.401 -2.032 1.00 0.00 H new ATOM 0 HH12 ARG A 97 108.854 -17.037 -1.365 1.00 0.00 H new ATOM 0 HH21 ARG A 97 106.451 -18.219 -3.614 1.00 0.00 H new ATOM 0 HH22 ARG A 97 107.505 -18.618 -2.253 1.00 0.00 H new ATOM 1546 N GLN A 98 105.585 -11.171 -6.970 1.00 0.00 N ATOM 1547 CA GLN A 98 106.221 -10.858 -8.285 1.00 0.00 C ATOM 1548 C GLN A 98 107.599 -10.241 -8.023 1.00 0.00 C ATOM 1549 O GLN A 98 107.912 -9.869 -6.916 1.00 0.00 O ATOM 1550 CB GLN A 98 105.341 -9.866 -9.060 1.00 0.00 C ATOM 1551 CG GLN A 98 105.325 -10.237 -10.546 1.00 0.00 C ATOM 1552 CD GLN A 98 104.412 -11.446 -10.761 1.00 0.00 C ATOM 1553 OE1 GLN A 98 103.925 -12.073 -9.725 1.00 0.00 O flip ATOM 1554 NE2 GLN A 98 104.140 -11.824 -11.883 1.00 0.00 N flip ATOM 0 H GLN A 98 105.432 -10.367 -6.361 1.00 0.00 H new ATOM 0 HA GLN A 98 106.329 -11.767 -8.877 1.00 0.00 H new ATOM 0 HB2 GLN A 98 104.326 -9.878 -8.662 1.00 0.00 H new ATOM 0 HB3 GLN A 98 105.721 -8.852 -8.933 1.00 0.00 H new ATOM 0 HG2 GLN A 98 104.973 -9.393 -11.139 1.00 0.00 H new ATOM 0 HG3 GLN A 98 106.335 -10.466 -10.885 1.00 0.00 H new ATOM 0 HE21 GLN A 98 104.521 -11.334 -12.693 1.00 0.00 H new ATOM 0 HE22 GLN A 98 103.531 -12.631 -12.016 1.00 0.00 H new ATOM 1563 N ASN A 99 108.422 -10.126 -9.031 1.00 0.00 N ATOM 1564 CA ASN A 99 109.778 -9.520 -8.837 1.00 0.00 C ATOM 1565 C ASN A 99 109.979 -8.437 -9.889 1.00 0.00 C ATOM 1566 O ASN A 99 110.133 -8.718 -11.060 1.00 0.00 O ATOM 1567 CB ASN A 99 110.851 -10.599 -8.999 1.00 0.00 C ATOM 1568 CG ASN A 99 110.540 -11.447 -10.234 1.00 0.00 C ATOM 1569 OD1 ASN A 99 109.742 -11.061 -11.065 1.00 0.00 O ATOM 1570 ND2 ASN A 99 111.142 -12.594 -10.390 1.00 0.00 N ATOM 0 H ASN A 99 108.216 -10.425 -9.984 1.00 0.00 H new ATOM 0 HA ASN A 99 109.856 -9.090 -7.838 1.00 0.00 H new ATOM 0 HB2 ASN A 99 111.833 -10.138 -9.100 1.00 0.00 H new ATOM 0 HB3 ASN A 99 110.885 -11.230 -8.111 1.00 0.00 H new ATOM 0 HD21 ASN A 99 110.943 -13.167 -11.210 1.00 0.00 H new ATOM 0 HD22 ASN A 99 111.812 -12.918 -9.692 1.00 0.00 H new ATOM 1577 N LYS A 100 109.970 -7.200 -9.482 1.00 0.00 N ATOM 1578 CA LYS A 100 110.147 -6.093 -10.462 1.00 0.00 C ATOM 1579 C LYS A 100 110.653 -4.851 -9.732 1.00 0.00 C ATOM 1580 O LYS A 100 110.417 -4.675 -8.554 1.00 0.00 O ATOM 1581 CB LYS A 100 108.798 -5.765 -11.116 1.00 0.00 C ATOM 1582 CG LYS A 100 108.130 -7.042 -11.637 1.00 0.00 C ATOM 1583 CD LYS A 100 106.782 -6.690 -12.267 1.00 0.00 C ATOM 1584 CE LYS A 100 106.385 -7.772 -13.274 1.00 0.00 C ATOM 1585 NZ LYS A 100 106.830 -9.103 -12.774 1.00 0.00 N ATOM 0 H LYS A 100 109.848 -6.907 -8.513 1.00 0.00 H new ATOM 0 HA LYS A 100 110.863 -6.398 -11.225 1.00 0.00 H new ATOM 0 HB2 LYS A 100 108.146 -5.275 -10.393 1.00 0.00 H new ATOM 0 HB3 LYS A 100 108.946 -5.064 -11.937 1.00 0.00 H new ATOM 0 HG2 LYS A 100 108.772 -7.527 -12.372 1.00 0.00 H new ATOM 0 HG3 LYS A 100 107.988 -7.750 -10.821 1.00 0.00 H new ATOM 0 HD2 LYS A 100 106.020 -6.603 -11.493 1.00 0.00 H new ATOM 0 HD3 LYS A 100 106.844 -5.722 -12.764 1.00 0.00 H new ATOM 0 HE2 LYS A 100 105.305 -7.769 -13.420 1.00 0.00 H new ATOM 0 HE3 LYS A 100 106.838 -7.566 -14.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 106.111 -9.819 -13.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 107.731 -9.360 -13.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 106.958 -9.061 -11.743 1.00 0.00 H new ATOM 1599 N SER A 101 111.332 -3.977 -10.423 1.00 0.00 N ATOM 1600 CA SER A 101 111.832 -2.739 -9.763 1.00 0.00 C ATOM 1601 C SER A 101 110.691 -1.726 -9.740 1.00 0.00 C ATOM 1602 O SER A 101 110.205 -1.309 -10.768 1.00 0.00 O ATOM 1603 CB SER A 101 113.017 -2.178 -10.552 1.00 0.00 C ATOM 1604 OG SER A 101 113.705 -3.247 -11.188 1.00 0.00 O ATOM 0 H SER A 101 111.561 -4.066 -11.413 1.00 0.00 H new ATOM 0 HA SER A 101 112.165 -2.953 -8.747 1.00 0.00 H new ATOM 0 HB2 SER A 101 112.667 -1.462 -11.295 1.00 0.00 H new ATOM 0 HB3 SER A 101 113.692 -1.642 -9.885 1.00 0.00 H new ATOM 0 HG SER A 101 114.464 -2.891 -11.695 1.00 0.00 H new ATOM 1610 N TYR A 102 110.233 -1.356 -8.577 1.00 0.00 N ATOM 1611 CA TYR A 102 109.090 -0.406 -8.495 1.00 0.00 C ATOM 1612 C TYR A 102 109.568 0.999 -8.187 1.00 0.00 C ATOM 1613 O TYR A 102 110.746 1.271 -8.138 1.00 0.00 O ATOM 1614 CB TYR A 102 108.187 -0.847 -7.355 1.00 0.00 C ATOM 1615 CG TYR A 102 109.044 -1.137 -6.140 1.00 0.00 C ATOM 1616 CD1 TYR A 102 109.852 -0.135 -5.570 1.00 0.00 C ATOM 1617 CD2 TYR A 102 109.024 -2.409 -5.573 1.00 0.00 C ATOM 1618 CE1 TYR A 102 110.633 -0.422 -4.444 1.00 0.00 C ATOM 1619 CE2 TYR A 102 109.797 -2.688 -4.445 1.00 0.00 C ATOM 1620 CZ TYR A 102 110.605 -1.697 -3.883 1.00 0.00 C ATOM 1621 OH TYR A 102 111.371 -1.980 -2.773 1.00 0.00 O ATOM 0 H TYR A 102 110.601 -1.671 -7.679 1.00 0.00 H new ATOM 0 HA TYR A 102 108.569 -0.404 -9.452 1.00 0.00 H new ATOM 0 HB2 TYR A 102 107.459 -0.068 -7.127 1.00 0.00 H new ATOM 0 HB3 TYR A 102 107.624 -1.736 -7.641 1.00 0.00 H new ATOM 0 HD1 TYR A 102 109.869 0.855 -6.001 1.00 0.00 H new ATOM 0 HD2 TYR A 102 108.408 -3.182 -6.008 1.00 0.00 H new ATOM 0 HE1 TYR A 102 111.257 0.345 -4.010 1.00 0.00 H new ATOM 0 HE2 TYR A 102 109.770 -3.674 -4.005 1.00 0.00 H new ATOM 0 HH TYR A 102 110.884 -2.597 -2.188 1.00 0.00 H new ATOM 1631 N VAL A 103 108.635 1.883 -7.947 1.00 0.00 N ATOM 1632 CA VAL A 103 108.987 3.286 -7.603 1.00 0.00 C ATOM 1633 C VAL A 103 108.226 3.705 -6.363 1.00 0.00 C ATOM 1634 O VAL A 103 107.025 3.884 -6.388 1.00 0.00 O ATOM 1635 CB VAL A 103 108.600 4.210 -8.742 1.00 0.00 C ATOM 1636 CG1 VAL A 103 109.573 5.394 -8.816 1.00 0.00 C ATOM 1637 CG2 VAL A 103 108.634 3.407 -10.030 1.00 0.00 C ATOM 0 H VAL A 103 107.634 1.687 -7.976 1.00 0.00 H new ATOM 0 HA VAL A 103 110.061 3.348 -7.427 1.00 0.00 H new ATOM 0 HB VAL A 103 107.600 4.612 -8.582 1.00 0.00 H new ATOM 0 HG11 VAL A 103 109.285 6.051 -9.637 1.00 0.00 H new ATOM 0 HG12 VAL A 103 109.542 5.950 -7.879 1.00 0.00 H new ATOM 0 HG13 VAL A 103 110.584 5.024 -8.985 1.00 0.00 H new ATOM 0 HG21 VAL A 103 108.359 4.049 -10.867 1.00 0.00 H new ATOM 0 HG22 VAL A 103 109.639 3.015 -10.188 1.00 0.00 H new ATOM 0 HG23 VAL A 103 107.929 2.579 -9.961 1.00 0.00 H new ATOM 1647 N VAL A 104 108.917 3.881 -5.286 1.00 0.00 N ATOM 1648 CA VAL A 104 108.241 4.317 -4.037 1.00 0.00 C ATOM 1649 C VAL A 104 108.707 5.739 -3.710 1.00 0.00 C ATOM 1650 O VAL A 104 109.828 6.112 -3.996 1.00 0.00 O ATOM 1651 CB VAL A 104 108.556 3.332 -2.886 1.00 0.00 C ATOM 1652 CG1 VAL A 104 109.490 2.229 -3.383 1.00 0.00 C ATOM 1653 CG2 VAL A 104 109.218 4.059 -1.711 1.00 0.00 C ATOM 0 H VAL A 104 109.925 3.743 -5.210 1.00 0.00 H new ATOM 0 HA VAL A 104 107.159 4.319 -4.168 1.00 0.00 H new ATOM 0 HB VAL A 104 107.616 2.896 -2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 104 109.706 1.540 -2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 104 109.011 1.686 -4.198 1.00 0.00 H new ATOM 0 HG13 VAL A 104 110.420 2.673 -3.740 1.00 0.00 H new ATOM 0 HG21 VAL A 104 109.430 3.346 -0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 104 110.149 4.517 -2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 104 108.547 4.832 -1.337 1.00 0.00 H new ATOM 1663 N ALA A 105 107.856 6.541 -3.127 1.00 0.00 N ATOM 1664 CA ALA A 105 108.257 7.935 -2.801 1.00 0.00 C ATOM 1665 C ALA A 105 108.830 7.966 -1.392 1.00 0.00 C ATOM 1666 O ALA A 105 108.712 7.011 -0.650 1.00 0.00 O ATOM 1667 CB ALA A 105 107.038 8.857 -2.885 1.00 0.00 C ATOM 0 H ALA A 105 106.903 6.289 -2.864 1.00 0.00 H new ATOM 0 HA ALA A 105 109.009 8.278 -3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 105 107.337 9.878 -2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 105 106.628 8.827 -3.894 1.00 0.00 H new ATOM 0 HB3 ALA A 105 106.281 8.524 -2.175 1.00 0.00 H new ATOM 1673 N CYS A 106 109.479 9.037 -1.021 1.00 0.00 N ATOM 1674 CA CYS A 106 110.083 9.086 0.349 1.00 0.00 C ATOM 1675 C CYS A 106 109.630 10.335 1.111 1.00 0.00 C ATOM 1676 O CYS A 106 109.303 11.350 0.529 1.00 0.00 O ATOM 1677 CB CYS A 106 111.614 9.076 0.225 1.00 0.00 C ATOM 1678 SG CYS A 106 112.082 8.656 -1.471 1.00 0.00 S ATOM 0 H CYS A 106 109.618 9.869 -1.594 1.00 0.00 H new ATOM 0 HA CYS A 106 109.748 8.213 0.909 1.00 0.00 H new ATOM 0 HB2 CYS A 106 112.017 10.053 0.493 1.00 0.00 H new ATOM 0 HB3 CYS A 106 112.041 8.353 0.920 1.00 0.00 H new ATOM 1683 N LYS A 107 109.619 10.256 2.423 1.00 0.00 N ATOM 1684 CA LYS A 107 109.191 11.423 3.256 1.00 0.00 C ATOM 1685 C LYS A 107 109.979 11.408 4.571 1.00 0.00 C ATOM 1686 O LYS A 107 110.512 10.389 4.970 1.00 0.00 O ATOM 1687 CB LYS A 107 107.690 11.303 3.569 1.00 0.00 C ATOM 1688 CG LYS A 107 106.858 11.925 2.435 1.00 0.00 C ATOM 1689 CD LYS A 107 106.648 13.422 2.689 1.00 0.00 C ATOM 1690 CE LYS A 107 105.614 13.964 1.701 1.00 0.00 C ATOM 1691 NZ LYS A 107 105.374 15.409 1.976 1.00 0.00 N ATOM 0 H LYS A 107 109.890 9.428 2.953 1.00 0.00 H new ATOM 0 HA LYS A 107 109.379 12.351 2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 107 107.420 10.254 3.694 1.00 0.00 H new ATOM 0 HB3 LYS A 107 107.467 11.804 4.511 1.00 0.00 H new ATOM 0 HG2 LYS A 107 107.364 11.779 1.481 1.00 0.00 H new ATOM 0 HG3 LYS A 107 105.893 11.422 2.365 1.00 0.00 H new ATOM 0 HD2 LYS A 107 106.310 13.585 3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 107 107.591 13.957 2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 107 105.968 13.831 0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 107 104.682 13.406 1.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 104.671 15.778 1.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 105.019 15.523 2.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 106.265 15.935 1.869 1.00 0.00 H new ATOM 1705 N PRO A 108 110.048 12.526 5.249 1.00 0.00 N ATOM 1706 CA PRO A 108 110.773 12.622 6.545 1.00 0.00 C ATOM 1707 C PRO A 108 110.031 11.872 7.667 1.00 0.00 C ATOM 1708 O PRO A 108 108.827 11.974 7.794 1.00 0.00 O ATOM 1709 CB PRO A 108 110.813 14.128 6.836 1.00 0.00 C ATOM 1710 CG PRO A 108 109.666 14.709 6.078 1.00 0.00 C ATOM 1711 CD PRO A 108 109.453 13.815 4.855 1.00 0.00 C ATOM 0 HA PRO A 108 111.764 12.170 6.495 1.00 0.00 H new ATOM 0 HB2 PRO A 108 110.718 14.324 7.904 1.00 0.00 H new ATOM 0 HB3 PRO A 108 111.758 14.565 6.514 1.00 0.00 H new ATOM 0 HG2 PRO A 108 108.769 14.740 6.696 1.00 0.00 H new ATOM 0 HG3 PRO A 108 109.881 15.734 5.776 1.00 0.00 H new ATOM 0 HD2 PRO A 108 108.395 13.710 4.617 1.00 0.00 H new ATOM 0 HD3 PRO A 108 109.940 14.226 3.970 1.00 0.00 H new ATOM 1719 N PRO A 109 110.744 11.128 8.477 1.00 0.00 N ATOM 1720 CA PRO A 109 110.139 10.359 9.603 1.00 0.00 C ATOM 1721 C PRO A 109 109.170 11.229 10.418 1.00 0.00 C ATOM 1722 O PRO A 109 109.575 12.129 11.126 1.00 0.00 O ATOM 1723 CB PRO A 109 111.349 9.935 10.447 1.00 0.00 C ATOM 1724 CG PRO A 109 112.530 9.976 9.536 1.00 0.00 C ATOM 1725 CD PRO A 109 112.199 10.949 8.407 1.00 0.00 C ATOM 0 HA PRO A 109 109.546 9.511 9.260 1.00 0.00 H new ATOM 0 HB2 PRO A 109 111.487 10.608 11.294 1.00 0.00 H new ATOM 0 HB3 PRO A 109 111.207 8.934 10.855 1.00 0.00 H new ATOM 0 HG2 PRO A 109 113.420 10.301 10.075 1.00 0.00 H new ATOM 0 HG3 PRO A 109 112.743 8.984 9.138 1.00 0.00 H new ATOM 0 HD2 PRO A 109 112.720 11.897 8.537 1.00 0.00 H new ATOM 0 HD3 PRO A 109 112.502 10.549 7.439 1.00 0.00 H new ATOM 1733 N GLN A 110 107.890 10.976 10.308 1.00 0.00 N ATOM 1734 CA GLN A 110 106.895 11.798 11.060 1.00 0.00 C ATOM 1735 C GLN A 110 107.246 11.814 12.546 1.00 0.00 C ATOM 1736 O GLN A 110 108.032 12.619 13.004 1.00 0.00 O ATOM 1737 CB GLN A 110 105.497 11.199 10.885 1.00 0.00 C ATOM 1738 CG GLN A 110 105.179 11.055 9.400 1.00 0.00 C ATOM 1739 CD GLN A 110 104.859 12.428 8.807 1.00 0.00 C ATOM 1740 OE1 GLN A 110 103.778 12.949 9.000 1.00 0.00 O ATOM 1741 NE2 GLN A 110 105.759 13.041 8.089 1.00 0.00 N ATOM 0 H GLN A 110 107.492 10.236 9.730 1.00 0.00 H new ATOM 0 HA GLN A 110 106.914 12.816 10.671 1.00 0.00 H new ATOM 0 HB2 GLN A 110 105.444 10.226 11.374 1.00 0.00 H new ATOM 0 HB3 GLN A 110 104.755 11.837 11.365 1.00 0.00 H new ATOM 0 HG2 GLN A 110 106.027 10.611 8.878 1.00 0.00 H new ATOM 0 HG3 GLN A 110 104.332 10.382 9.263 1.00 0.00 H new ATOM 0 HE21 GLN A 110 106.666 12.604 7.927 1.00 0.00 H new ATOM 0 HE22 GLN A 110 105.555 13.957 7.690 1.00 0.00 H new ATOM 1750 N LYS A 111 106.663 10.923 13.299 1.00 0.00 N ATOM 1751 CA LYS A 111 106.942 10.860 14.759 1.00 0.00 C ATOM 1752 C LYS A 111 107.273 9.416 15.110 1.00 0.00 C ATOM 1753 O LYS A 111 108.111 9.144 15.947 1.00 0.00 O ATOM 1754 CB LYS A 111 105.707 11.316 15.552 1.00 0.00 C ATOM 1755 CG LYS A 111 104.985 12.451 14.811 1.00 0.00 C ATOM 1756 CD LYS A 111 105.796 13.751 14.916 1.00 0.00 C ATOM 1757 CE LYS A 111 105.434 14.487 16.210 1.00 0.00 C ATOM 1758 NZ LYS A 111 106.174 15.780 16.267 1.00 0.00 N ATOM 0 H LYS A 111 105.998 10.228 12.960 1.00 0.00 H new ATOM 0 HA LYS A 111 107.775 11.516 15.012 1.00 0.00 H new ATOM 0 HB2 LYS A 111 105.027 10.476 15.694 1.00 0.00 H new ATOM 0 HB3 LYS A 111 106.008 11.654 16.544 1.00 0.00 H new ATOM 0 HG2 LYS A 111 104.848 12.182 13.764 1.00 0.00 H new ATOM 0 HG3 LYS A 111 103.992 12.598 15.235 1.00 0.00 H new ATOM 0 HD2 LYS A 111 106.863 13.527 14.901 1.00 0.00 H new ATOM 0 HD3 LYS A 111 105.592 14.388 14.055 1.00 0.00 H new ATOM 0 HE2 LYS A 111 104.360 14.668 16.250 1.00 0.00 H new ATOM 0 HE3 LYS A 111 105.686 13.872 17.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 105.930 16.281 17.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 107.197 15.596 16.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 105.912 16.366 15.449 1.00 0.00 H new ATOM 1772 N LYS A 112 106.631 8.481 14.462 1.00 0.00 N ATOM 1773 CA LYS A 112 106.926 7.060 14.747 1.00 0.00 C ATOM 1774 C LYS A 112 108.403 6.811 14.444 1.00 0.00 C ATOM 1775 O LYS A 112 109.087 6.132 15.182 1.00 0.00 O ATOM 1776 CB LYS A 112 106.039 6.173 13.865 1.00 0.00 C ATOM 1777 CG LYS A 112 105.577 4.956 14.659 1.00 0.00 C ATOM 1778 CD LYS A 112 106.786 4.091 15.023 1.00 0.00 C ATOM 1779 CE LYS A 112 106.305 2.757 15.595 1.00 0.00 C ATOM 1780 NZ LYS A 112 105.591 2.996 16.881 1.00 0.00 N ATOM 0 H LYS A 112 105.918 8.646 13.751 1.00 0.00 H new ATOM 0 HA LYS A 112 106.722 6.823 15.791 1.00 0.00 H new ATOM 0 HB2 LYS A 112 105.176 6.739 13.514 1.00 0.00 H new ATOM 0 HB3 LYS A 112 106.592 5.854 12.981 1.00 0.00 H new ATOM 0 HG2 LYS A 112 105.060 5.275 15.564 1.00 0.00 H new ATOM 0 HG3 LYS A 112 104.865 4.375 14.072 1.00 0.00 H new ATOM 0 HD2 LYS A 112 107.403 3.919 14.141 1.00 0.00 H new ATOM 0 HD3 LYS A 112 107.410 4.608 15.752 1.00 0.00 H new ATOM 0 HE2 LYS A 112 105.642 2.263 14.885 1.00 0.00 H new ATOM 0 HE3 LYS A 112 107.153 2.091 15.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 105.428 2.088 17.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 106.168 3.611 17.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 104.678 3.456 16.691 1.00 0.00 H new ATOM 1794 N ASP A 113 108.898 7.381 13.369 1.00 0.00 N ATOM 1795 CA ASP A 113 110.338 7.217 13.001 1.00 0.00 C ATOM 1796 C ASP A 113 110.915 5.935 13.601 1.00 0.00 C ATOM 1797 O ASP A 113 111.307 5.899 14.751 1.00 0.00 O ATOM 1798 CB ASP A 113 111.125 8.415 13.529 1.00 0.00 C ATOM 1799 CG ASP A 113 112.607 8.223 13.215 1.00 0.00 C ATOM 1800 OD1 ASP A 113 112.900 7.636 12.187 1.00 0.00 O ATOM 1801 OD2 ASP A 113 113.423 8.665 14.006 1.00 0.00 O ATOM 0 H ASP A 113 108.357 7.959 12.725 1.00 0.00 H new ATOM 0 HA ASP A 113 110.416 7.156 11.915 1.00 0.00 H new ATOM 0 HB2 ASP A 113 110.761 9.335 13.071 1.00 0.00 H new ATOM 0 HB3 ASP A 113 110.979 8.515 14.605 1.00 0.00 H new ATOM 1806 N SER A 114 110.980 4.885 12.835 1.00 0.00 N ATOM 1807 CA SER A 114 111.538 3.619 13.376 1.00 0.00 C ATOM 1808 C SER A 114 112.991 3.844 13.797 1.00 0.00 C ATOM 1809 O SER A 114 113.501 3.174 14.672 1.00 0.00 O ATOM 1810 CB SER A 114 111.456 2.521 12.310 1.00 0.00 C ATOM 1811 OG SER A 114 110.385 1.641 12.628 1.00 0.00 O ATOM 0 H SER A 114 110.673 4.849 11.863 1.00 0.00 H new ATOM 0 HA SER A 114 110.961 3.305 14.246 1.00 0.00 H new ATOM 0 HB2 SER A 114 111.299 2.963 11.326 1.00 0.00 H new ATOM 0 HB3 SER A 114 112.395 1.969 12.266 1.00 0.00 H new ATOM 0 HG SER A 114 110.327 0.937 11.948 1.00 0.00 H new ATOM 1817 N GLN A 115 113.658 4.787 13.190 1.00 0.00 N ATOM 1818 CA GLN A 115 115.077 5.055 13.563 1.00 0.00 C ATOM 1819 C GLN A 115 115.416 6.523 13.297 1.00 0.00 C ATOM 1820 O GLN A 115 115.885 7.223 14.169 1.00 0.00 O ATOM 1821 CB GLN A 115 116.015 4.177 12.724 1.00 0.00 C ATOM 1822 CG GLN A 115 115.450 2.761 12.612 1.00 0.00 C ATOM 1823 CD GLN A 115 116.449 1.871 11.871 1.00 0.00 C ATOM 1824 OE1 GLN A 115 116.649 2.021 10.682 1.00 0.00 O ATOM 1825 NE2 GLN A 115 117.090 0.943 12.528 1.00 0.00 N ATOM 0 H GLN A 115 113.283 5.383 12.452 1.00 0.00 H new ATOM 0 HA GLN A 115 115.206 4.829 14.621 1.00 0.00 H new ATOM 0 HB2 GLN A 115 116.137 4.608 11.730 1.00 0.00 H new ATOM 0 HB3 GLN A 115 117.004 4.147 13.182 1.00 0.00 H new ATOM 0 HG2 GLN A 115 115.253 2.357 13.605 1.00 0.00 H new ATOM 0 HG3 GLN A 115 114.498 2.779 12.081 1.00 0.00 H new ATOM 0 HE21 GLN A 115 116.922 0.817 13.526 1.00 0.00 H new ATOM 0 HE22 GLN A 115 117.758 0.344 12.043 1.00 0.00 H new ATOM 1834 N GLN A 116 115.189 6.981 12.092 1.00 0.00 N ATOM 1835 CA GLN A 116 115.510 8.407 11.739 1.00 0.00 C ATOM 1836 C GLN A 116 115.627 8.556 10.217 1.00 0.00 C ATOM 1837 O GLN A 116 115.605 9.652 9.695 1.00 0.00 O ATOM 1838 CB GLN A 116 116.855 8.808 12.359 1.00 0.00 C ATOM 1839 CG GLN A 116 117.887 7.696 12.117 1.00 0.00 C ATOM 1840 CD GLN A 116 119.289 8.303 12.031 1.00 0.00 C ATOM 1841 OE1 GLN A 116 119.503 9.428 12.438 1.00 0.00 O ATOM 1842 NE2 GLN A 116 120.260 7.601 11.514 1.00 0.00 N ATOM 0 H GLN A 116 114.793 6.430 11.331 1.00 0.00 H new ATOM 0 HA GLN A 116 114.712 9.044 12.121 1.00 0.00 H new ATOM 0 HB2 GLN A 116 117.204 9.743 11.921 1.00 0.00 H new ATOM 0 HB3 GLN A 116 116.736 8.981 13.429 1.00 0.00 H new ATOM 0 HG2 GLN A 116 117.845 6.966 12.925 1.00 0.00 H new ATOM 0 HG3 GLN A 116 117.653 7.164 11.195 1.00 0.00 H new ATOM 0 HE21 GLN A 116 120.081 6.657 11.172 1.00 0.00 H new ATOM 0 HE22 GLN A 116 121.198 7.997 11.452 1.00 0.00 H new ATOM 1851 N PHE A 117 115.769 7.459 9.516 1.00 0.00 N ATOM 1852 CA PHE A 117 115.912 7.484 8.021 1.00 0.00 C ATOM 1853 C PHE A 117 116.084 8.908 7.482 1.00 0.00 C ATOM 1854 O PHE A 117 117.160 9.286 7.071 1.00 0.00 O ATOM 1855 CB PHE A 117 114.679 6.857 7.380 1.00 0.00 C ATOM 1856 CG PHE A 117 114.290 5.624 8.155 1.00 0.00 C ATOM 1857 CD1 PHE A 117 113.591 5.747 9.359 1.00 0.00 C ATOM 1858 CD2 PHE A 117 114.633 4.357 7.670 1.00 0.00 C ATOM 1859 CE1 PHE A 117 113.233 4.604 10.079 1.00 0.00 C ATOM 1860 CE2 PHE A 117 114.274 3.213 8.390 1.00 0.00 C ATOM 1861 CZ PHE A 117 113.573 3.336 9.594 1.00 0.00 C ATOM 0 H PHE A 117 115.793 6.524 9.924 1.00 0.00 H new ATOM 0 HA PHE A 117 116.808 6.917 7.769 1.00 0.00 H new ATOM 0 HB2 PHE A 117 113.856 7.571 7.372 1.00 0.00 H new ATOM 0 HB3 PHE A 117 114.886 6.598 6.342 1.00 0.00 H new ATOM 0 HD1 PHE A 117 113.328 6.725 9.733 1.00 0.00 H new ATOM 0 HD2 PHE A 117 115.175 4.263 6.740 1.00 0.00 H new ATOM 0 HE1 PHE A 117 112.694 4.699 11.010 1.00 0.00 H new ATOM 0 HE2 PHE A 117 114.538 2.235 8.016 1.00 0.00 H new ATOM 0 HZ PHE A 117 113.294 2.453 10.149 1.00 0.00 H new ATOM 1871 N HIS A 118 115.016 9.676 7.446 1.00 0.00 N ATOM 1872 CA HIS A 118 115.079 11.075 6.896 1.00 0.00 C ATOM 1873 C HIS A 118 114.562 11.025 5.463 1.00 0.00 C ATOM 1874 O HIS A 118 114.809 11.901 4.659 1.00 0.00 O ATOM 1875 CB HIS A 118 116.514 11.623 6.909 1.00 0.00 C ATOM 1876 CG HIS A 118 116.478 13.122 6.784 1.00 0.00 C ATOM 1877 ND1 HIS A 118 116.252 13.950 7.876 1.00 0.00 N ATOM 1878 CD2 HIS A 118 116.637 13.958 5.706 1.00 0.00 C ATOM 1879 CE1 HIS A 118 116.281 15.221 7.433 1.00 0.00 C ATOM 1880 NE2 HIS A 118 116.512 15.278 6.120 1.00 0.00 N ATOM 0 H HIS A 118 114.094 9.391 7.777 1.00 0.00 H new ATOM 0 HA HIS A 118 114.474 11.738 7.515 1.00 0.00 H new ATOM 0 HB2 HIS A 118 117.016 11.336 7.833 1.00 0.00 H new ATOM 0 HB3 HIS A 118 117.087 11.192 6.088 1.00 0.00 H new ATOM 0 HD2 HIS A 118 116.830 13.638 4.693 1.00 0.00 H new ATOM 0 HE1 HIS A 118 116.135 16.087 8.062 1.00 0.00 H new ATOM 0 HE2 HIS A 118 116.582 16.115 5.542 1.00 0.00 H new ATOM 1889 N LEU A 119 113.843 9.980 5.160 1.00 0.00 N ATOM 1890 CA LEU A 119 113.274 9.782 3.789 1.00 0.00 C ATOM 1891 C LEU A 119 112.566 8.429 3.772 1.00 0.00 C ATOM 1892 O LEU A 119 112.542 7.721 2.790 1.00 0.00 O ATOM 1893 CB LEU A 119 114.402 9.829 2.732 1.00 0.00 C ATOM 1894 CG LEU A 119 115.246 8.517 2.654 1.00 0.00 C ATOM 1895 CD1 LEU A 119 115.114 7.646 3.915 1.00 0.00 C ATOM 1896 CD2 LEU A 119 114.841 7.685 1.424 1.00 0.00 C ATOM 0 H LEU A 119 113.619 9.235 5.819 1.00 0.00 H new ATOM 0 HA LEU A 119 112.566 10.575 3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 119 113.963 10.027 1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 119 115.065 10.664 2.958 1.00 0.00 H new ATOM 0 HG LEU A 119 116.287 8.829 2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 119 115.722 6.749 3.803 1.00 0.00 H new ATOM 0 HD12 LEU A 119 115.455 8.209 4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 119 114.071 7.362 4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 119 115.440 6.775 1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 119 113.786 7.422 1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 119 115.010 8.268 0.519 1.00 0.00 H new ATOM 1908 N VAL A 120 112.013 8.074 4.889 1.00 0.00 N ATOM 1909 CA VAL A 120 111.313 6.772 5.042 1.00 0.00 C ATOM 1910 C VAL A 120 110.547 6.395 3.761 1.00 0.00 C ATOM 1911 O VAL A 120 110.173 7.252 2.986 1.00 0.00 O ATOM 1912 CB VAL A 120 110.354 6.923 6.225 1.00 0.00 C ATOM 1913 CG1 VAL A 120 111.168 7.328 7.460 1.00 0.00 C ATOM 1914 CG2 VAL A 120 109.314 8.021 5.921 1.00 0.00 C ATOM 0 H VAL A 120 112.016 8.649 5.731 1.00 0.00 H new ATOM 0 HA VAL A 120 112.030 5.971 5.220 1.00 0.00 H new ATOM 0 HB VAL A 120 109.835 5.981 6.402 1.00 0.00 H new ATOM 0 HG11 VAL A 120 110.501 7.441 8.315 1.00 0.00 H new ATOM 0 HG12 VAL A 120 111.908 6.558 7.677 1.00 0.00 H new ATOM 0 HG13 VAL A 120 111.674 8.274 7.268 1.00 0.00 H new ATOM 0 HG21 VAL A 120 108.635 8.123 6.767 1.00 0.00 H new ATOM 0 HG22 VAL A 120 109.825 8.968 5.749 1.00 0.00 H new ATOM 0 HG23 VAL A 120 108.747 7.748 5.031 1.00 0.00 H new ATOM 1924 N PRO A 121 110.300 5.118 3.546 1.00 0.00 N ATOM 1925 CA PRO A 121 109.550 4.636 2.353 1.00 0.00 C ATOM 1926 C PRO A 121 108.062 4.883 2.573 1.00 0.00 C ATOM 1927 O PRO A 121 107.388 4.137 3.253 1.00 0.00 O ATOM 1928 CB PRO A 121 109.874 3.143 2.301 1.00 0.00 C ATOM 1929 CG PRO A 121 110.129 2.756 3.718 1.00 0.00 C ATOM 1930 CD PRO A 121 110.698 3.996 4.416 1.00 0.00 C ATOM 0 HA PRO A 121 109.816 5.137 1.422 1.00 0.00 H new ATOM 0 HB2 PRO A 121 109.046 2.574 1.879 1.00 0.00 H new ATOM 0 HB3 PRO A 121 110.746 2.949 1.676 1.00 0.00 H new ATOM 0 HG2 PRO A 121 109.209 2.428 4.201 1.00 0.00 H new ATOM 0 HG3 PRO A 121 110.832 1.925 3.772 1.00 0.00 H new ATOM 0 HD2 PRO A 121 110.292 4.108 5.421 1.00 0.00 H new ATOM 0 HD3 PRO A 121 111.782 3.935 4.515 1.00 0.00 H new ATOM 1938 N VAL A 122 107.574 5.975 2.069 1.00 0.00 N ATOM 1939 CA VAL A 122 106.159 6.354 2.314 1.00 0.00 C ATOM 1940 C VAL A 122 105.208 5.835 1.226 1.00 0.00 C ATOM 1941 O VAL A 122 104.526 4.853 1.417 1.00 0.00 O ATOM 1942 CB VAL A 122 106.105 7.894 2.427 1.00 0.00 C ATOM 1943 CG1 VAL A 122 107.350 8.492 1.780 1.00 0.00 C ATOM 1944 CG2 VAL A 122 104.875 8.472 1.731 1.00 0.00 C ATOM 0 H VAL A 122 108.100 6.630 1.491 1.00 0.00 H new ATOM 0 HA VAL A 122 105.815 5.888 3.237 1.00 0.00 H new ATOM 0 HB VAL A 122 106.054 8.145 3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 122 107.314 9.579 1.858 1.00 0.00 H new ATOM 0 HG12 VAL A 122 108.239 8.120 2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.387 8.205 0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 122 104.875 9.557 1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 122 104.897 8.208 0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 122 103.973 8.064 2.188 1.00 0.00 H new ATOM 1954 N HIS A 123 105.099 6.515 0.126 1.00 0.00 N ATOM 1955 CA HIS A 123 104.119 6.091 -0.914 1.00 0.00 C ATOM 1956 C HIS A 123 104.736 5.152 -1.944 1.00 0.00 C ATOM 1957 O HIS A 123 105.933 4.975 -2.024 1.00 0.00 O ATOM 1958 CB HIS A 123 103.600 7.343 -1.627 1.00 0.00 C ATOM 1959 CG HIS A 123 102.359 7.012 -2.410 1.00 0.00 C ATOM 1960 ND1 HIS A 123 101.096 7.017 -1.834 1.00 0.00 N ATOM 1961 CD2 HIS A 123 102.169 6.676 -3.727 1.00 0.00 C ATOM 1962 CE1 HIS A 123 100.211 6.694 -2.796 1.00 0.00 C ATOM 1963 NE2 HIS A 123 100.815 6.477 -3.965 1.00 0.00 N ATOM 0 H HIS A 123 105.644 7.347 -0.102 1.00 0.00 H new ATOM 0 HA HIS A 123 103.313 5.549 -0.420 1.00 0.00 H new ATOM 0 HB2 HIS A 123 103.382 8.123 -0.897 1.00 0.00 H new ATOM 0 HB3 HIS A 123 104.367 7.736 -2.294 1.00 0.00 H new ATOM 0 HD1 HIS A 123 100.878 7.227 -0.860 1.00 0.00 H new ATOM 0 HD2 HIS A 123 102.952 6.581 -4.465 1.00 0.00 H new ATOM 0 HE1 HIS A 123 99.145 6.620 -2.640 1.00 0.00 H new ATOM 1972 N LEU A 124 103.892 4.574 -2.753 1.00 0.00 N ATOM 1973 CA LEU A 124 104.346 3.663 -3.835 1.00 0.00 C ATOM 1974 C LEU A 124 103.938 4.320 -5.153 1.00 0.00 C ATOM 1975 O LEU A 124 102.766 4.436 -5.454 1.00 0.00 O ATOM 1976 CB LEU A 124 103.657 2.303 -3.685 1.00 0.00 C ATOM 1977 CG LEU A 124 104.109 1.368 -4.824 1.00 0.00 C ATOM 1978 CD1 LEU A 124 104.362 -0.041 -4.279 1.00 0.00 C ATOM 1979 CD2 LEU A 124 103.024 1.301 -5.905 1.00 0.00 C ATOM 0 H LEU A 124 102.881 4.700 -2.706 1.00 0.00 H new ATOM 0 HA LEU A 124 105.423 3.499 -3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 124 103.905 1.863 -2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 124 102.574 2.427 -3.710 1.00 0.00 H new ATOM 0 HG LEU A 124 105.030 1.761 -5.253 1.00 0.00 H new ATOM 0 HD11 LEU A 124 104.681 -0.694 -5.092 1.00 0.00 H new ATOM 0 HD12 LEU A 124 105.141 -0.002 -3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 124 103.444 -0.431 -3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 124 103.350 0.639 -6.707 1.00 0.00 H new ATOM 0 HD22 LEU A 124 102.101 0.918 -5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 124 102.849 2.299 -6.307 1.00 0.00 H new ATOM 1991 N ASP A 125 104.875 4.797 -5.926 1.00 0.00 N ATOM 1992 CA ASP A 125 104.495 5.490 -7.187 1.00 0.00 C ATOM 1993 C ASP A 125 104.007 4.479 -8.226 1.00 0.00 C ATOM 1994 O ASP A 125 102.979 4.669 -8.845 1.00 0.00 O ATOM 1995 CB ASP A 125 105.702 6.271 -7.724 1.00 0.00 C ATOM 1996 CG ASP A 125 105.394 7.771 -7.708 1.00 0.00 C ATOM 1997 OD1 ASP A 125 105.136 8.291 -6.635 1.00 0.00 O ATOM 1998 OD2 ASP A 125 105.421 8.373 -8.768 1.00 0.00 O ATOM 0 H ASP A 125 105.876 4.738 -5.741 1.00 0.00 H new ATOM 0 HA ASP A 125 103.681 6.186 -6.982 1.00 0.00 H new ATOM 0 HB2 ASP A 125 106.582 6.064 -7.115 1.00 0.00 H new ATOM 0 HB3 ASP A 125 105.934 5.948 -8.739 1.00 0.00 H new ATOM 2003 N ARG A 126 104.725 3.413 -8.434 1.00 0.00 N ATOM 2004 CA ARG A 126 104.273 2.419 -9.445 1.00 0.00 C ATOM 2005 C ARG A 126 105.186 1.201 -9.438 1.00 0.00 C ATOM 2006 O ARG A 126 106.129 1.122 -8.684 1.00 0.00 O ATOM 2007 CB ARG A 126 104.290 3.047 -10.840 1.00 0.00 C ATOM 2008 CG ARG A 126 105.615 3.780 -11.091 1.00 0.00 C ATOM 2009 CD ARG A 126 105.372 4.984 -12.005 1.00 0.00 C ATOM 2010 NE ARG A 126 104.597 6.020 -11.266 1.00 0.00 N ATOM 2011 CZ ARG A 126 104.281 7.141 -11.854 1.00 0.00 C ATOM 2012 NH1 ARG A 126 104.643 7.355 -13.089 1.00 0.00 N ATOM 2013 NH2 ARG A 126 103.602 8.048 -11.206 1.00 0.00 N ATOM 0 H ARG A 126 105.596 3.188 -7.954 1.00 0.00 H new ATOM 0 HA ARG A 126 103.259 2.110 -9.192 1.00 0.00 H new ATOM 0 HB2 ARG A 126 104.149 2.273 -11.594 1.00 0.00 H new ATOM 0 HB3 ARG A 126 103.459 3.745 -10.940 1.00 0.00 H new ATOM 0 HG2 ARG A 126 106.044 4.110 -10.145 1.00 0.00 H new ATOM 0 HG3 ARG A 126 106.336 3.103 -11.549 1.00 0.00 H new ATOM 0 HD2 ARG A 126 106.323 5.397 -12.341 1.00 0.00 H new ATOM 0 HD3 ARG A 126 104.827 4.673 -12.896 1.00 0.00 H new ATOM 0 HE ARG A 126 104.314 5.853 -10.301 1.00 0.00 H new ATOM 0 HH11 ARG A 126 105.173 6.646 -13.595 1.00 0.00 H new ATOM 0 HH12 ARG A 126 104.396 8.232 -13.548 1.00 0.00 H new ATOM 0 HH21 ARG A 126 103.319 7.880 -10.241 1.00 0.00 H new ATOM 0 HH22 ARG A 126 103.355 8.925 -11.665 1.00 0.00 H new ATOM 2027 N VAL A 127 104.901 0.247 -10.280 1.00 0.00 N ATOM 2028 CA VAL A 127 105.742 -0.979 -10.343 1.00 0.00 C ATOM 2029 C VAL A 127 106.390 -1.065 -11.727 1.00 0.00 C ATOM 2030 O VAL A 127 105.759 -0.807 -12.733 1.00 0.00 O ATOM 2031 CB VAL A 127 104.862 -2.206 -10.085 1.00 0.00 C ATOM 2032 CG1 VAL A 127 105.638 -3.221 -9.246 1.00 0.00 C ATOM 2033 CG2 VAL A 127 103.614 -1.772 -9.314 1.00 0.00 C ATOM 0 H VAL A 127 104.116 0.265 -10.931 1.00 0.00 H new ATOM 0 HA VAL A 127 106.525 -0.943 -9.585 1.00 0.00 H new ATOM 0 HB VAL A 127 104.576 -2.658 -11.035 1.00 0.00 H new ATOM 0 HG11 VAL A 127 105.013 -4.095 -9.062 1.00 0.00 H new ATOM 0 HG12 VAL A 127 106.537 -3.525 -9.782 1.00 0.00 H new ATOM 0 HG13 VAL A 127 105.918 -2.768 -8.295 1.00 0.00 H new ATOM 0 HG21 VAL A 127 102.982 -2.640 -9.126 1.00 0.00 H new ATOM 0 HG22 VAL A 127 103.910 -1.326 -8.364 1.00 0.00 H new ATOM 0 HG23 VAL A 127 103.060 -1.040 -9.901 1.00 0.00 H new ATOM 2043 N LEU A 128 107.650 -1.409 -11.784 1.00 0.00 N ATOM 2044 CA LEU A 128 108.354 -1.496 -13.100 1.00 0.00 C ATOM 2045 C LEU A 128 108.929 -2.904 -13.279 1.00 0.00 C ATOM 2046 O LEU A 128 108.308 -3.691 -13.974 1.00 0.00 O ATOM 2047 CB LEU A 128 109.491 -0.458 -13.129 1.00 0.00 C ATOM 2048 CG LEU A 128 109.473 0.306 -14.456 1.00 0.00 C ATOM 2049 CD1 LEU A 128 110.482 1.454 -14.398 1.00 0.00 C ATOM 2050 CD2 LEU A 128 109.850 -0.644 -15.594 1.00 0.00 C ATOM 2051 OXT LEU A 128 109.980 -3.170 -12.719 1.00 0.00 O ATOM 0 H LEU A 128 108.225 -1.635 -10.972 1.00 0.00 H new ATOM 0 HA LEU A 128 107.654 -1.292 -13.910 1.00 0.00 H new ATOM 0 HB2 LEU A 128 109.379 0.238 -12.298 1.00 0.00 H new ATOM 0 HB3 LEU A 128 110.452 -0.956 -13.000 1.00 0.00 H new ATOM 0 HG LEU A 128 108.475 0.708 -14.631 1.00 0.00 H new ATOM 0 HD11 LEU A 128 110.469 1.998 -15.343 1.00 0.00 H new ATOM 0 HD12 LEU A 128 110.217 2.131 -13.586 1.00 0.00 H new ATOM 0 HD13 LEU A 128 111.480 1.053 -14.224 1.00 0.00 H new ATOM 0 HD21 LEU A 128 109.838 -0.102 -16.540 1.00 0.00 H new ATOM 0 HD22 LEU A 128 110.848 -1.044 -15.418 1.00 0.00 H new ATOM 0 HD23 LEU A 128 109.133 -1.464 -15.636 1.00 0.00 H new TER 2063 LEU A 128