USER MOD reduce.3.24.130724 H: found=0, std=0, add=1200, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1200 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 114 LYS NZ :NH3+ -148:sc= 1.29 (180deg=0) USER MOD Set 1.2: A 115 TYR OH : rot -92:sc= 1.67 USER MOD Set 2.1: A 103 SER OG : rot 180:sc= 0.00483 USER MOD Set 2.2: A 107 THR OG1 : rot 83:sc= 0.278 USER MOD Set 3.1: A 92 THR OG1 : rot 4:sc= 0.744 USER MOD Set 3.2: A 99 THR OG1 : rot 62:sc= 0.238 USER MOD Set 4.1: A 22 GLN :FLIP amide:sc= 0.692 F(o=-0.41!,f=1.5) USER MOD Set 4.2: A 27 TYR OH : rot 15:sc= 0.841 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.05 (180deg=-0.362) USER MOD Single : A 1 MET N :NH3+ -137:sc= -0.051 (180deg=-0.364) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 5 HIS : no HD1:sc= -0.0388 X(o=-0.039,f=-0.04) USER MOD Single : A 6 HIS : no HD1:sc= -0.0272 K(o=-0.027,f=-0.69) USER MOD Single : A 7 HIS : no HD1:sc= -0.49 X(o=-0.49,f=-0.16) USER MOD Single : A 8 HIS :FLIP no HD1:sc= -0.491 F(o=-1.2,f=-0.49) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 161:sc= -0.144 (180deg=-0.662) USER MOD Single : A 14 HIS : no HE2:sc= 0.215 K(o=0.22,f=-2.9!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -137:sc= -0.0722 (180deg=-0.403) USER MOD Single : A 25 GLN : amide:sc= 0.544 K(o=0.54,f=-0.049) USER MOD Single : A 34 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0774) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -1.32 USER MOD Single : A 46 MET CE :methyl -171:sc= -4.67! (180deg=-4.92!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 MET CE :methyl 162:sc= -0.0324 (180deg=-0.392) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.224 K(o=-0.22,f=-4.1!) USER MOD Single : A 68 MET CE :methyl -162:sc= -0.0825 (180deg=-0.528) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.626 USER MOD Single : A 74 THR OG1 : rot -76:sc= 0.911 USER MOD Single : A 76 LYS NZ :NH3+ -121:sc= 0.773 (180deg=-0.00184) USER MOD Single : A 84 ASN : amide:sc= -0.0983 K(o=-0.098,f=-2.1) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 160:sc= 0.0619 (180deg=-0.694!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN :FLIP amide:sc= -0.273 F(o=-1.2,f=-0.27) USER MOD Single : A 100 SER OG : rot -42:sc= 0.829 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 77:sc= 0.15 USER MOD Single : A 111 GLN : amide:sc= -0.0237 K(o=-0.024,f=-0.65) USER MOD Single : A 112 TYR OH : rot -14:sc= 0.862 USER MOD Single : A 113 MET CE :methyl -173:sc= -1.14 (180deg=-1.28) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.176 USER MOD Single : A 119 TYR OH : rot 144:sc= 0.879 USER MOD Single : A 121 CYS SG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ -143:sc= 0.0129 (180deg=0) USER MOD Single : A 127 SER OG : rot -68:sc= 0.645 USER MOD Single : A 128 ASN : amide:sc= 0.154 X(o=0.15,f=-0.097) USER MOD Single : A 130 ASN :FLIP amide:sc=-0.00185 F(o=-1,f=-0.0019) USER MOD Single : A 133 GLN : amide:sc= 0.278 X(o=0.28,f=-0.12) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 139 ASN :FLIP amide:sc= -1.23 F(o=-2.9,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 35.980 -23.486 3.859 1.00 25.22 N ATOM 2 CA MET A 1 34.943 -22.517 4.314 1.00 64.23 C ATOM 3 C MET A 1 34.181 -21.916 3.121 1.00 74.02 C ATOM 4 O MET A 1 34.704 -21.854 2.011 1.00 41.11 O ATOM 5 CB MET A 1 35.596 -21.382 5.119 1.00 22.34 C ATOM 6 CG MET A 1 36.377 -21.852 6.341 1.00 64.32 C ATOM 7 SD MET A 1 37.261 -20.507 7.163 1.00 41.11 S ATOM 8 CE MET A 1 35.899 -19.465 7.694 1.00 61.12 C ATOM 0 H1 MET A 1 35.962 -24.327 4.471 1.00 25.22 H new ATOM 0 H2 MET A 1 35.785 -23.768 2.877 1.00 25.22 H new ATOM 0 H3 MET A 1 36.918 -23.040 3.911 1.00 25.22 H new ATOM 0 HA MET A 1 34.237 -23.058 4.944 1.00 64.23 H new ATOM 0 HB2 MET A 1 36.267 -20.827 4.464 1.00 22.34 H new ATOM 0 HB3 MET A 1 34.820 -20.688 5.442 1.00 22.34 H new ATOM 0 HG2 MET A 1 35.691 -22.317 7.049 1.00 64.32 H new ATOM 0 HG3 MET A 1 37.090 -22.619 6.039 1.00 64.32 H new ATOM 0 HE1 MET A 1 36.256 -18.748 8.433 1.00 61.12 H new ATOM 0 HE2 MET A 1 35.494 -18.929 6.835 1.00 61.12 H new ATOM 0 HE3 MET A 1 35.118 -20.084 8.136 1.00 61.12 H new ATOM 20 N GLY A 2 32.947 -21.474 3.357 1.00 1.23 N ATOM 21 CA GLY A 2 32.179 -20.785 2.320 1.00 61.31 C ATOM 22 C GLY A 2 31.353 -21.715 1.429 1.00 13.12 C ATOM 23 O GLY A 2 31.841 -22.744 0.962 1.00 50.50 O ATOM 0 H GLY A 2 32.461 -21.579 4.248 1.00 1.23 H new ATOM 0 HA2 GLY A 2 31.510 -20.067 2.795 1.00 61.31 H new ATOM 0 HA3 GLY A 2 32.865 -20.215 1.694 1.00 61.31 H new ATOM 27 N HIS A 3 30.091 -21.349 1.205 1.00 51.35 N ATOM 28 CA HIS A 3 29.205 -22.088 0.294 1.00 52.30 C ATOM 29 C HIS A 3 28.491 -21.118 -0.663 1.00 44.30 C ATOM 30 O HIS A 3 27.333 -21.324 -1.035 1.00 44.50 O ATOM 31 CB HIS A 3 28.172 -22.900 1.095 1.00 15.30 C ATOM 32 CG HIS A 3 28.787 -23.893 2.036 1.00 53.02 C ATOM 33 ND1 HIS A 3 29.266 -25.117 1.626 1.00 23.44 N ATOM 34 CD2 HIS A 3 29.009 -23.839 3.373 1.00 32.54 C ATOM 35 CE1 HIS A 3 29.755 -25.769 2.658 1.00 61.35 C ATOM 36 NE2 HIS A 3 29.615 -25.019 3.728 1.00 13.00 N ATOM 0 H HIS A 3 29.653 -20.539 1.644 1.00 51.35 H new ATOM 0 HA HIS A 3 29.811 -22.777 -0.295 1.00 52.30 H new ATOM 0 HB2 HIS A 3 27.545 -22.214 1.664 1.00 15.30 H new ATOM 0 HB3 HIS A 3 27.519 -23.427 0.400 1.00 15.30 H new ATOM 0 HD2 HIS A 3 28.757 -23.022 4.033 1.00 32.54 H new ATOM 0 HE1 HIS A 3 30.197 -26.754 2.631 1.00 61.35 H new ATOM 0 HE2 HIS A 3 29.909 -25.273 4.671 1.00 13.00 H new ATOM 45 N HIS A 4 29.211 -20.073 -1.078 1.00 60.13 N ATOM 46 CA HIS A 4 28.646 -19.012 -1.917 1.00 1.52 C ATOM 47 C HIS A 4 28.144 -19.569 -3.262 1.00 14.11 C ATOM 48 O HIS A 4 28.917 -20.115 -4.055 1.00 51.44 O ATOM 49 CB HIS A 4 29.696 -17.914 -2.153 1.00 33.43 C ATOM 50 CG HIS A 4 29.147 -16.679 -2.808 1.00 33.31 C ATOM 51 ND1 HIS A 4 29.524 -16.253 -4.064 1.00 20.34 N ATOM 52 CD2 HIS A 4 28.252 -15.765 -2.362 1.00 15.43 C ATOM 53 CE1 HIS A 4 28.888 -15.137 -4.359 1.00 54.32 C ATOM 54 NE2 HIS A 4 28.110 -14.818 -3.345 1.00 63.01 N ATOM 0 H HIS A 4 30.195 -19.938 -0.844 1.00 60.13 H new ATOM 0 HA HIS A 4 27.791 -18.584 -1.393 1.00 1.52 H new ATOM 0 HB2 HIS A 4 30.141 -17.639 -1.197 1.00 33.43 H new ATOM 0 HB3 HIS A 4 30.496 -18.317 -2.773 1.00 33.43 H new ATOM 0 HD2 HIS A 4 27.744 -15.779 -1.409 1.00 15.43 H new ATOM 0 HE1 HIS A 4 28.988 -14.578 -5.278 1.00 54.32 H new ATOM 0 HE2 HIS A 4 27.502 -14.001 -3.298 1.00 63.01 H new ATOM 63 N HIS A 5 26.845 -19.416 -3.512 1.00 64.44 N ATOM 64 CA HIS A 5 26.208 -19.959 -4.717 1.00 73.31 C ATOM 65 C HIS A 5 26.604 -19.154 -5.970 1.00 15.53 C ATOM 66 O HIS A 5 25.791 -18.429 -6.547 1.00 42.11 O ATOM 67 CB HIS A 5 24.687 -19.961 -4.536 1.00 14.40 C ATOM 68 CG HIS A 5 24.250 -20.502 -3.206 1.00 61.01 C ATOM 69 ND1 HIS A 5 23.663 -19.721 -2.234 1.00 34.33 N ATOM 70 CD2 HIS A 5 24.327 -21.748 -2.683 1.00 51.42 C ATOM 71 CE1 HIS A 5 23.398 -20.459 -1.178 1.00 72.54 C ATOM 72 NE2 HIS A 5 23.790 -21.691 -1.422 1.00 52.34 N ATOM 0 H HIS A 5 26.206 -18.917 -2.893 1.00 64.44 H new ATOM 0 HA HIS A 5 26.555 -20.982 -4.862 1.00 73.31 H new ATOM 0 HB2 HIS A 5 24.313 -18.943 -4.647 1.00 14.40 H new ATOM 0 HB3 HIS A 5 24.234 -20.556 -5.329 1.00 14.40 H new ATOM 0 HD2 HIS A 5 24.735 -22.623 -3.168 1.00 51.42 H new ATOM 0 HE1 HIS A 5 22.937 -20.112 -0.265 1.00 72.54 H new ATOM 0 HE2 HIS A 5 23.708 -22.477 -0.777 1.00 52.34 H new ATOM 81 N HIS A 6 27.861 -19.299 -6.379 1.00 41.54 N ATOM 82 CA HIS A 6 28.431 -18.515 -7.482 1.00 74.45 C ATOM 83 C HIS A 6 27.692 -18.722 -8.816 1.00 43.04 C ATOM 84 O HIS A 6 27.555 -17.787 -9.605 1.00 61.31 O ATOM 85 CB HIS A 6 29.923 -18.851 -7.640 1.00 11.23 C ATOM 86 CG HIS A 6 30.215 -20.322 -7.705 1.00 73.11 C ATOM 87 ND1 HIS A 6 30.549 -21.071 -6.595 1.00 33.45 N ATOM 88 CD2 HIS A 6 30.221 -21.188 -8.751 1.00 51.11 C ATOM 89 CE1 HIS A 6 30.746 -22.325 -6.951 1.00 24.21 C ATOM 90 NE2 HIS A 6 30.553 -22.423 -8.251 1.00 20.04 N ATOM 0 H HIS A 6 28.515 -19.960 -5.960 1.00 41.54 H new ATOM 0 HA HIS A 6 28.310 -17.463 -7.223 1.00 74.45 H new ATOM 0 HB2 HIS A 6 30.297 -18.376 -8.547 1.00 11.23 H new ATOM 0 HB3 HIS A 6 30.473 -18.419 -6.804 1.00 11.23 H new ATOM 0 HD2 HIS A 6 30.005 -20.950 -9.782 1.00 51.11 H new ATOM 0 HE1 HIS A 6 31.019 -23.134 -6.290 1.00 24.21 H new ATOM 0 HE2 HIS A 6 30.637 -23.280 -8.798 1.00 20.04 H new ATOM 99 N HIS A 7 27.208 -19.939 -9.062 1.00 33.51 N ATOM 100 CA HIS A 7 26.559 -20.262 -10.342 1.00 51.24 C ATOM 101 C HIS A 7 25.023 -20.129 -10.255 1.00 65.23 C ATOM 102 O HIS A 7 24.302 -20.606 -11.129 1.00 31.20 O ATOM 103 CB HIS A 7 26.956 -21.677 -10.794 1.00 31.21 C ATOM 104 CG HIS A 7 26.693 -21.949 -12.251 1.00 52.34 C ATOM 105 ND1 HIS A 7 27.578 -21.603 -13.249 1.00 3.43 N ATOM 106 CD2 HIS A 7 25.639 -22.529 -12.879 1.00 0.35 C ATOM 107 CE1 HIS A 7 27.084 -21.956 -14.419 1.00 15.42 C ATOM 108 NE2 HIS A 7 25.912 -22.519 -14.223 1.00 14.34 N ATOM 0 H HIS A 7 27.250 -20.715 -8.401 1.00 33.51 H new ATOM 0 HA HIS A 7 26.905 -19.542 -11.083 1.00 51.24 H new ATOM 0 HB2 HIS A 7 28.016 -21.828 -10.592 1.00 31.21 H new ATOM 0 HB3 HIS A 7 26.410 -22.406 -10.194 1.00 31.21 H new ATOM 0 HD2 HIS A 7 24.751 -22.925 -12.408 1.00 0.35 H new ATOM 0 HE1 HIS A 7 27.561 -21.808 -15.377 1.00 15.42 H new ATOM 0 HE2 HIS A 7 25.304 -22.889 -14.953 1.00 14.34 H new ATOM 117 N HIS A 8 24.531 -19.488 -9.191 1.00 33.41 N ATOM 118 CA HIS A 8 23.097 -19.182 -9.063 1.00 25.34 C ATOM 119 C HIS A 8 22.795 -18.298 -7.836 1.00 1.15 C ATOM 120 O HIS A 8 22.453 -18.792 -6.764 1.00 23.43 O ATOM 121 CB HIS A 8 22.239 -20.469 -9.039 1.00 73.34 C ATOM 122 CG HIS A 8 22.653 -21.496 -8.020 1.00 11.23 C ATOM 123 ND1 HIS A 8 22.302 -21.659 -6.721 1.00 21.10 N flip ATOM 124 CD2 HIS A 8 23.521 -22.526 -8.304 1.00 43.43 C flip ATOM 125 CE1 HIS A 8 22.962 -22.771 -6.256 1.00 63.42 C flip ATOM 126 NE2 HIS A 8 23.688 -23.273 -7.233 1.00 3.20 N flip ATOM 0 H HIS A 8 25.100 -19.170 -8.406 1.00 33.41 H new ATOM 0 HA HIS A 8 22.823 -18.611 -9.950 1.00 25.34 H new ATOM 0 HB2 HIS A 8 21.202 -20.192 -8.851 1.00 73.34 H new ATOM 0 HB3 HIS A 8 22.272 -20.927 -10.027 1.00 73.34 H new ATOM 0 HD2 HIS A 8 23.993 -22.696 -9.260 1.00 43.43 H new ATOM 0 HE1 HIS A 8 22.896 -23.168 -5.254 1.00 63.42 H new ATOM 0 HE2 HIS A 8 24.280 -24.101 -7.171 1.00 3.20 H new ATOM 135 N SER A 9 22.942 -16.983 -8.001 1.00 51.24 N ATOM 136 CA SER A 9 22.559 -16.013 -6.954 1.00 45.22 C ATOM 137 C SER A 9 21.046 -15.714 -6.975 1.00 51.13 C ATOM 138 O SER A 9 20.587 -14.742 -6.378 1.00 42.14 O ATOM 139 CB SER A 9 23.347 -14.699 -7.115 1.00 62.32 C ATOM 140 OG SER A 9 24.725 -14.872 -6.807 1.00 21.24 O ATOM 0 H SER A 9 23.323 -16.557 -8.846 1.00 51.24 H new ATOM 0 HA SER A 9 22.803 -16.467 -5.993 1.00 45.22 H new ATOM 0 HB2 SER A 9 23.245 -14.336 -8.138 1.00 62.32 H new ATOM 0 HB3 SER A 9 22.921 -13.937 -6.463 1.00 62.32 H new ATOM 0 HG SER A 9 25.195 -14.020 -6.921 1.00 21.24 H new ATOM 146 N HIS A 10 20.273 -16.559 -7.656 1.00 54.34 N ATOM 147 CA HIS A 10 18.820 -16.381 -7.758 1.00 13.53 C ATOM 148 C HIS A 10 18.072 -17.464 -6.965 1.00 73.11 C ATOM 149 O HIS A 10 18.514 -18.609 -6.895 1.00 61.21 O ATOM 150 CB HIS A 10 18.395 -16.409 -9.230 1.00 41.32 C ATOM 151 CG HIS A 10 19.114 -15.393 -10.065 1.00 20.52 C ATOM 152 ND1 HIS A 10 20.088 -15.724 -10.982 1.00 73.21 N ATOM 153 CD2 HIS A 10 19.009 -14.045 -10.106 1.00 41.12 C ATOM 154 CE1 HIS A 10 20.554 -14.626 -11.543 1.00 24.31 C ATOM 155 NE2 HIS A 10 19.917 -13.595 -11.031 1.00 64.13 N ATOM 0 H HIS A 10 20.628 -17.378 -8.149 1.00 54.34 H new ATOM 0 HA HIS A 10 18.561 -15.413 -7.328 1.00 13.53 H new ATOM 0 HB2 HIS A 10 18.580 -17.403 -9.637 1.00 41.32 H new ATOM 0 HB3 HIS A 10 17.321 -16.232 -9.296 1.00 41.32 H new ATOM 0 HD2 HIS A 10 18.336 -13.437 -9.520 1.00 41.12 H new ATOM 0 HE1 HIS A 10 21.328 -14.580 -12.295 1.00 24.31 H new ATOM 0 HE2 HIS A 10 20.073 -12.619 -11.281 1.00 64.13 H new ATOM 164 N MET A 11 16.939 -17.091 -6.371 1.00 71.11 N ATOM 165 CA MET A 11 16.163 -18.003 -5.519 1.00 4.41 C ATOM 166 C MET A 11 14.664 -17.978 -5.880 1.00 3.45 C ATOM 167 O MET A 11 14.195 -17.068 -6.563 1.00 4.01 O ATOM 168 CB MET A 11 16.336 -17.596 -4.045 1.00 12.42 C ATOM 169 CG MET A 11 17.761 -17.730 -3.522 1.00 62.42 C ATOM 170 SD MET A 11 17.938 -17.123 -1.830 1.00 3.02 S ATOM 171 CE MET A 11 16.754 -18.156 -0.965 1.00 42.32 C ATOM 0 H MET A 11 16.533 -16.160 -6.462 1.00 71.11 H new ATOM 0 HA MET A 11 16.535 -19.015 -5.681 1.00 4.41 H new ATOM 0 HB2 MET A 11 16.013 -16.562 -3.925 1.00 12.42 H new ATOM 0 HB3 MET A 11 15.677 -18.209 -3.431 1.00 12.42 H new ATOM 0 HG2 MET A 11 18.062 -18.777 -3.562 1.00 62.42 H new ATOM 0 HG3 MET A 11 18.437 -17.178 -4.175 1.00 62.42 H new ATOM 0 HE1 MET A 11 16.977 -18.149 0.102 1.00 42.32 H new ATOM 0 HE2 MET A 11 15.747 -17.771 -1.128 1.00 42.32 H new ATOM 0 HE3 MET A 11 16.817 -19.177 -1.342 1.00 42.32 H new ATOM 181 N PRO A 12 13.891 -18.993 -5.440 1.00 71.14 N ATOM 182 CA PRO A 12 12.421 -18.961 -5.515 1.00 44.45 C ATOM 183 C PRO A 12 11.802 -18.172 -4.339 1.00 5.11 C ATOM 184 O PRO A 12 10.775 -18.563 -3.778 1.00 31.41 O ATOM 185 CB PRO A 12 12.049 -20.446 -5.438 1.00 31.30 C ATOM 186 CG PRO A 12 13.125 -21.063 -4.606 1.00 60.11 C ATOM 187 CD PRO A 12 14.384 -20.268 -4.875 1.00 24.14 C ATOM 0 HA PRO A 12 12.052 -18.462 -6.411 1.00 44.45 H new ATOM 0 HB2 PRO A 12 11.068 -20.586 -4.984 1.00 31.30 H new ATOM 0 HB3 PRO A 12 12.008 -20.896 -6.430 1.00 31.30 H new ATOM 0 HG2 PRO A 12 12.864 -21.031 -3.548 1.00 60.11 H new ATOM 0 HG3 PRO A 12 13.265 -22.112 -4.868 1.00 60.11 H new ATOM 0 HD2 PRO A 12 14.955 -20.105 -3.961 1.00 24.14 H new ATOM 0 HD3 PRO A 12 15.041 -20.786 -5.574 1.00 24.14 H new ATOM 195 N ASP A 13 12.424 -17.039 -4.004 1.00 22.33 N ATOM 196 CA ASP A 13 12.023 -16.213 -2.854 1.00 14.22 C ATOM 197 C ASP A 13 10.623 -15.604 -3.044 1.00 72.22 C ATOM 198 O ASP A 13 9.978 -15.193 -2.079 1.00 32.15 O ATOM 199 CB ASP A 13 13.042 -15.089 -2.658 1.00 71.23 C ATOM 200 CG ASP A 13 13.024 -14.114 -3.822 1.00 11.42 C ATOM 201 OD1 ASP A 13 13.336 -14.538 -4.956 1.00 23.41 O ATOM 202 OD2 ASP A 13 12.641 -12.945 -3.621 1.00 41.00 O ATOM 0 H ASP A 13 13.220 -16.665 -4.520 1.00 22.33 H new ATOM 0 HA ASP A 13 11.991 -16.857 -1.975 1.00 14.22 H new ATOM 0 HB2 ASP A 13 12.825 -14.556 -1.732 1.00 71.23 H new ATOM 0 HB3 ASP A 13 14.040 -15.515 -2.554 1.00 71.23 H new ATOM 207 N HIS A 14 10.163 -15.563 -4.293 1.00 42.22 N ATOM 208 CA HIS A 14 8.882 -14.938 -4.643 1.00 32.02 C ATOM 209 C HIS A 14 7.672 -15.815 -4.268 1.00 50.20 C ATOM 210 O HIS A 14 6.555 -15.568 -4.723 1.00 33.14 O ATOM 211 CB HIS A 14 8.870 -14.596 -6.139 1.00 54.15 C ATOM 212 CG HIS A 14 9.744 -13.423 -6.490 1.00 23.04 C ATOM 213 ND1 HIS A 14 11.106 -13.389 -6.258 1.00 0.00 N ATOM 214 CD2 HIS A 14 9.438 -12.222 -7.043 1.00 74.25 C ATOM 215 CE1 HIS A 14 11.593 -12.230 -6.651 1.00 64.00 C ATOM 216 NE2 HIS A 14 10.606 -11.507 -7.129 1.00 54.35 N ATOM 0 H HIS A 14 10.662 -15.959 -5.090 1.00 42.22 H new ATOM 0 HA HIS A 14 8.788 -14.023 -4.059 1.00 32.02 H new ATOM 0 HB2 HIS A 14 9.198 -15.467 -6.706 1.00 54.15 H new ATOM 0 HB3 HIS A 14 7.847 -14.382 -6.447 1.00 54.15 H new ATOM 0 HD1 HIS A 14 11.651 -14.146 -5.845 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.459 -11.891 -7.357 1.00 74.25 H new ATOM 0 HE1 HIS A 14 12.628 -11.926 -6.591 1.00 64.00 H new ATOM 225 N GLY A 15 7.896 -16.829 -3.432 1.00 54.31 N ATOM 226 CA GLY A 15 6.795 -17.602 -2.867 1.00 31.32 C ATOM 227 C GLY A 15 6.123 -18.555 -3.850 1.00 74.03 C ATOM 228 O GLY A 15 6.719 -19.550 -4.266 1.00 40.21 O ATOM 0 H GLY A 15 8.824 -17.131 -3.134 1.00 54.31 H new ATOM 0 HA2 GLY A 15 7.169 -18.177 -2.020 1.00 31.32 H new ATOM 0 HA3 GLY A 15 6.045 -16.913 -2.478 1.00 31.32 H new ATOM 232 N ASP A 16 4.881 -18.251 -4.215 1.00 53.10 N ATOM 233 CA ASP A 16 4.061 -19.165 -5.015 1.00 33.11 C ATOM 234 C ASP A 16 3.940 -18.721 -6.480 1.00 12.10 C ATOM 235 O ASP A 16 3.749 -17.542 -6.780 1.00 34.23 O ATOM 236 CB ASP A 16 2.672 -19.295 -4.381 1.00 32.20 C ATOM 237 CG ASP A 16 2.725 -20.053 -3.066 1.00 14.42 C ATOM 238 OD1 ASP A 16 2.666 -21.303 -3.095 1.00 10.34 O ATOM 239 OD2 ASP A 16 2.850 -19.413 -2.004 1.00 1.25 O ATOM 0 H ASP A 16 4.416 -17.377 -3.970 1.00 53.10 H new ATOM 0 HA ASP A 16 4.559 -20.134 -5.022 1.00 33.11 H new ATOM 0 HB2 ASP A 16 2.254 -18.302 -4.213 1.00 32.20 H new ATOM 0 HB3 ASP A 16 2.003 -19.809 -5.071 1.00 32.20 H new ATOM 244 N TRP A 17 4.040 -19.692 -7.387 1.00 63.20 N ATOM 245 CA TRP A 17 3.973 -19.430 -8.829 1.00 40.34 C ATOM 246 C TRP A 17 2.602 -19.823 -9.404 1.00 21.42 C ATOM 247 O TRP A 17 2.331 -19.617 -10.590 1.00 3.43 O ATOM 248 CB TRP A 17 5.079 -20.216 -9.549 1.00 44.41 C ATOM 249 CG TRP A 17 6.438 -20.048 -8.929 1.00 53.42 C ATOM 250 CD1 TRP A 17 6.998 -20.839 -7.966 1.00 53.31 C ATOM 251 CD2 TRP A 17 7.404 -19.033 -9.226 1.00 1.54 C ATOM 252 NE1 TRP A 17 8.250 -20.379 -7.647 1.00 1.12 N ATOM 253 CE2 TRP A 17 8.524 -19.271 -8.406 1.00 63.20 C ATOM 254 CE3 TRP A 17 7.430 -17.948 -10.106 1.00 24.13 C ATOM 255 CZ2 TRP A 17 9.657 -18.463 -8.441 1.00 42.00 C ATOM 256 CZ3 TRP A 17 8.556 -17.147 -10.140 1.00 21.13 C ATOM 257 CH2 TRP A 17 9.656 -17.408 -9.312 1.00 2.21 C ATOM 0 H TRP A 17 4.169 -20.675 -7.149 1.00 63.20 H new ATOM 0 HA TRP A 17 4.115 -18.361 -8.987 1.00 40.34 H new ATOM 0 HB2 TRP A 17 4.818 -21.274 -9.551 1.00 44.41 H new ATOM 0 HB3 TRP A 17 5.122 -19.896 -10.590 1.00 44.41 H new ATOM 0 HD1 TRP A 17 6.524 -21.701 -7.521 1.00 53.31 H new ATOM 0 HE1 TRP A 17 8.876 -20.794 -6.957 1.00 1.12 H new ATOM 0 HE3 TRP A 17 6.586 -17.739 -10.747 1.00 24.13 H new ATOM 0 HZ2 TRP A 17 10.506 -18.662 -7.804 1.00 42.00 H new ATOM 0 HZ3 TRP A 17 8.589 -16.306 -10.816 1.00 21.13 H new ATOM 0 HH2 TRP A 17 10.521 -16.763 -9.362 1.00 2.21 H new ATOM 268 N THR A 18 1.743 -20.395 -8.560 1.00 20.43 N ATOM 269 CA THR A 18 0.419 -20.868 -8.996 1.00 10.21 C ATOM 270 C THR A 18 -0.692 -19.839 -8.725 1.00 44.54 C ATOM 271 O THR A 18 -0.438 -18.717 -8.289 1.00 23.20 O ATOM 272 CB THR A 18 0.040 -22.206 -8.309 1.00 45.13 C ATOM 273 OG1 THR A 18 0.029 -22.045 -6.881 1.00 70.20 O ATOM 274 CG2 THR A 18 1.014 -23.316 -8.693 1.00 72.10 C ATOM 0 H THR A 18 1.936 -20.544 -7.570 1.00 20.43 H new ATOM 0 HA THR A 18 0.498 -21.018 -10.073 1.00 10.21 H new ATOM 0 HB THR A 18 -0.956 -22.487 -8.650 1.00 45.13 H new ATOM 0 HG1 THR A 18 -0.213 -22.895 -6.458 1.00 70.20 H new ATOM 0 HG21 THR A 18 0.724 -24.242 -8.197 1.00 72.10 H new ATOM 0 HG22 THR A 18 0.993 -23.461 -9.773 1.00 72.10 H new ATOM 0 HG23 THR A 18 2.022 -23.039 -8.384 1.00 72.10 H new ATOM 282 N TYR A 19 -1.933 -20.245 -8.989 1.00 2.11 N ATOM 283 CA TYR A 19 -3.102 -19.361 -8.868 1.00 64.55 C ATOM 284 C TYR A 19 -4.128 -19.927 -7.869 1.00 11.32 C ATOM 285 O TYR A 19 -5.332 -19.714 -8.016 1.00 73.21 O ATOM 286 CB TYR A 19 -3.750 -19.202 -10.257 1.00 51.31 C ATOM 287 CG TYR A 19 -4.108 -20.532 -10.911 1.00 54.50 C ATOM 288 CD1 TYR A 19 -3.152 -21.264 -11.611 1.00 64.34 C ATOM 289 CD2 TYR A 19 -5.392 -21.062 -10.814 1.00 14.12 C ATOM 290 CE1 TYR A 19 -3.465 -22.478 -12.191 1.00 40.41 C ATOM 291 CE2 TYR A 19 -5.708 -22.279 -11.388 1.00 2.24 C ATOM 292 CZ TYR A 19 -4.743 -22.982 -12.077 1.00 52.22 C ATOM 293 OH TYR A 19 -5.055 -24.197 -12.646 1.00 41.23 O ATOM 0 H TYR A 19 -2.161 -21.192 -9.292 1.00 2.11 H new ATOM 0 HA TYR A 19 -2.775 -18.391 -8.493 1.00 64.55 H new ATOM 0 HB2 TYR A 19 -4.652 -18.597 -10.162 1.00 51.31 H new ATOM 0 HB3 TYR A 19 -3.067 -18.657 -10.909 1.00 51.31 H new ATOM 0 HD1 TYR A 19 -2.148 -20.876 -11.702 1.00 64.34 H new ATOM 0 HD2 TYR A 19 -6.154 -20.513 -10.281 1.00 14.12 H new ATOM 0 HE1 TYR A 19 -2.711 -23.030 -12.732 1.00 40.41 H new ATOM 0 HE2 TYR A 19 -6.708 -22.678 -11.297 1.00 2.24 H new ATOM 0 HH TYR A 19 -5.996 -24.407 -12.473 1.00 41.23 H new ATOM 303 N GLU A 20 -3.647 -20.620 -6.836 1.00 74.44 N ATOM 304 CA GLU A 20 -4.533 -21.339 -5.905 1.00 62.54 C ATOM 305 C GLU A 20 -5.170 -20.401 -4.850 1.00 23.32 C ATOM 306 O GLU A 20 -5.121 -20.673 -3.645 1.00 74.42 O ATOM 307 CB GLU A 20 -3.749 -22.475 -5.227 1.00 32.01 C ATOM 308 CG GLU A 20 -4.630 -23.500 -4.518 1.00 20.43 C ATOM 309 CD GLU A 20 -3.833 -24.649 -3.929 1.00 24.34 C ATOM 310 OE1 GLU A 20 -3.422 -25.546 -4.699 1.00 55.24 O ATOM 311 OE2 GLU A 20 -3.602 -24.659 -2.698 1.00 64.44 O ATOM 0 H GLU A 20 -2.654 -20.702 -6.619 1.00 74.44 H new ATOM 0 HA GLU A 20 -5.358 -21.757 -6.482 1.00 62.54 H new ATOM 0 HB2 GLU A 20 -3.147 -22.986 -5.978 1.00 32.01 H new ATOM 0 HB3 GLU A 20 -3.057 -22.044 -4.504 1.00 32.01 H new ATOM 0 HG2 GLU A 20 -5.188 -23.005 -3.723 1.00 20.43 H new ATOM 0 HG3 GLU A 20 -5.361 -23.894 -5.223 1.00 20.43 H new ATOM 318 N GLU A 21 -5.771 -19.305 -5.324 1.00 41.23 N ATOM 319 CA GLU A 21 -6.523 -18.366 -4.472 1.00 44.11 C ATOM 320 C GLU A 21 -5.671 -17.742 -3.347 1.00 63.31 C ATOM 321 O GLU A 21 -4.466 -17.979 -3.237 1.00 51.02 O ATOM 322 CB GLU A 21 -7.753 -19.068 -3.871 1.00 41.11 C ATOM 323 CG GLU A 21 -8.732 -19.607 -4.911 1.00 22.12 C ATOM 324 CD GLU A 21 -9.307 -18.516 -5.805 1.00 40.24 C ATOM 325 OE1 GLU A 21 -10.139 -17.722 -5.316 1.00 5.13 O ATOM 326 OE2 GLU A 21 -8.934 -18.449 -6.995 1.00 45.12 O ATOM 0 H GLU A 21 -5.752 -19.040 -6.309 1.00 41.23 H new ATOM 0 HA GLU A 21 -6.836 -17.545 -5.117 1.00 44.11 H new ATOM 0 HB2 GLU A 21 -7.417 -19.893 -3.242 1.00 41.11 H new ATOM 0 HB3 GLU A 21 -8.278 -18.366 -3.223 1.00 41.11 H new ATOM 0 HG2 GLU A 21 -8.225 -20.348 -5.530 1.00 22.12 H new ATOM 0 HG3 GLU A 21 -9.548 -20.121 -4.403 1.00 22.12 H new ATOM 333 N GLN A 22 -6.318 -16.908 -2.531 1.00 23.54 N ATOM 334 CA GLN A 22 -5.687 -16.327 -1.342 1.00 3.34 C ATOM 335 C GLN A 22 -5.424 -17.402 -0.273 1.00 44.13 C ATOM 336 O GLN A 22 -6.324 -18.161 0.100 1.00 4.14 O ATOM 337 CB GLN A 22 -6.576 -15.216 -0.753 1.00 21.31 C ATOM 338 CG GLN A 22 -8.034 -15.629 -0.550 1.00 61.44 C ATOM 339 CD GLN A 22 -8.835 -14.637 0.286 1.00 23.22 C ATOM 340 OE1 GLN A 22 -8.200 -14.030 1.269 1.00 60.30 O flip ATOM 341 NE2 GLN A 22 -10.026 -14.443 0.068 1.00 62.43 N flip ATOM 0 H GLN A 22 -7.285 -16.618 -2.673 1.00 23.54 H new ATOM 0 HA GLN A 22 -4.731 -15.900 -1.646 1.00 3.34 H new ATOM 0 HB2 GLN A 22 -6.161 -14.902 0.205 1.00 21.31 H new ATOM 0 HB3 GLN A 22 -6.543 -14.350 -1.414 1.00 21.31 H new ATOM 0 HG2 GLN A 22 -8.511 -15.740 -1.524 1.00 61.44 H new ATOM 0 HG3 GLN A 22 -8.063 -16.606 -0.067 1.00 61.44 H new ATOM 0 HE21 GLN A 22 -10.489 -14.928 -0.700 1.00 62.43 H new ATOM 0 HE22 GLN A 22 -10.553 -13.797 0.655 1.00 62.43 H new ATOM 350 N PHE A 23 -4.187 -17.465 0.224 1.00 14.43 N ATOM 351 CA PHE A 23 -3.826 -18.439 1.263 1.00 40.24 C ATOM 352 C PHE A 23 -4.004 -17.876 2.688 1.00 32.31 C ATOM 353 O PHE A 23 -4.028 -16.662 2.908 1.00 65.02 O ATOM 354 CB PHE A 23 -2.395 -18.971 1.050 1.00 1.33 C ATOM 355 CG PHE A 23 -1.356 -17.917 0.753 1.00 25.43 C ATOM 356 CD1 PHE A 23 -0.848 -17.115 1.761 1.00 62.35 C ATOM 357 CD2 PHE A 23 -0.875 -17.744 -0.539 1.00 1.34 C ATOM 358 CE1 PHE A 23 0.117 -16.164 1.491 1.00 40.41 C ATOM 359 CE2 PHE A 23 0.087 -16.792 -0.814 1.00 72.10 C ATOM 360 CZ PHE A 23 0.584 -16.001 0.202 1.00 10.21 C ATOM 0 H PHE A 23 -3.422 -16.859 -0.072 1.00 14.43 H new ATOM 0 HA PHE A 23 -4.520 -19.274 1.167 1.00 40.24 H new ATOM 0 HB2 PHE A 23 -2.091 -19.517 1.943 1.00 1.33 H new ATOM 0 HB3 PHE A 23 -2.409 -19.687 0.228 1.00 1.33 H new ATOM 0 HD1 PHE A 23 -1.211 -17.234 2.771 1.00 62.35 H new ATOM 0 HD2 PHE A 23 -1.258 -18.362 -1.338 1.00 1.34 H new ATOM 0 HE1 PHE A 23 0.506 -15.548 2.288 1.00 40.41 H new ATOM 0 HE2 PHE A 23 0.450 -16.667 -1.823 1.00 72.10 H new ATOM 0 HZ PHE A 23 1.337 -15.256 -0.011 1.00 10.21 H new ATOM 370 N LYS A 24 -4.099 -18.792 3.647 1.00 14.44 N ATOM 371 CA LYS A 24 -4.450 -18.483 5.041 1.00 52.22 C ATOM 372 C LYS A 24 -3.377 -17.643 5.772 1.00 54.43 C ATOM 373 O LYS A 24 -3.672 -16.980 6.772 1.00 5.43 O ATOM 374 CB LYS A 24 -4.674 -19.814 5.777 1.00 25.35 C ATOM 375 CG LYS A 24 -5.048 -19.680 7.247 1.00 72.33 C ATOM 376 CD LYS A 24 -6.448 -19.103 7.446 1.00 72.42 C ATOM 377 CE LYS A 24 -6.816 -19.044 8.924 1.00 2.52 C ATOM 378 NZ LYS A 24 -6.734 -20.381 9.569 1.00 44.51 N ATOM 0 H LYS A 24 -3.933 -19.785 3.482 1.00 14.44 H new ATOM 0 HA LYS A 24 -5.353 -17.872 5.037 1.00 52.22 H new ATOM 0 HB2 LYS A 24 -5.462 -20.367 5.266 1.00 25.35 H new ATOM 0 HB3 LYS A 24 -3.765 -20.411 5.702 1.00 25.35 H new ATOM 0 HG2 LYS A 24 -4.991 -20.659 7.723 1.00 72.33 H new ATOM 0 HG3 LYS A 24 -4.321 -19.040 7.746 1.00 72.33 H new ATOM 0 HD2 LYS A 24 -6.496 -18.102 7.017 1.00 72.42 H new ATOM 0 HD3 LYS A 24 -7.175 -19.714 6.912 1.00 72.42 H new ATOM 0 HE2 LYS A 24 -6.148 -18.352 9.437 1.00 2.52 H new ATOM 0 HE3 LYS A 24 -7.827 -18.651 9.031 1.00 2.52 H new ATOM 0 HZ1 LYS A 24 -7.558 -20.518 10.189 1.00 44.51 H new ATOM 0 HZ2 LYS A 24 -6.725 -21.120 8.837 1.00 44.51 H new ATOM 0 HZ3 LYS A 24 -5.862 -20.441 10.133 1.00 44.51 H new ATOM 392 N GLN A 25 -2.146 -17.661 5.265 1.00 54.11 N ATOM 393 CA GLN A 25 -1.010 -17.002 5.933 1.00 70.43 C ATOM 394 C GLN A 25 -1.308 -15.538 6.321 1.00 25.42 C ATOM 395 O GLN A 25 -0.957 -15.102 7.419 1.00 12.52 O ATOM 396 CB GLN A 25 0.239 -17.069 5.041 1.00 5.23 C ATOM 397 CG GLN A 25 1.493 -16.466 5.670 1.00 24.35 C ATOM 398 CD GLN A 25 1.889 -17.141 6.976 1.00 24.13 C ATOM 399 OE1 GLN A 25 2.636 -18.113 6.988 1.00 41.13 O ATOM 400 NE2 GLN A 25 1.395 -16.631 8.086 1.00 2.20 N ATOM 0 H GLN A 25 -1.902 -18.125 4.390 1.00 54.11 H new ATOM 0 HA GLN A 25 -0.831 -17.545 6.861 1.00 70.43 H new ATOM 0 HB2 GLN A 25 0.437 -18.111 4.791 1.00 5.23 H new ATOM 0 HB3 GLN A 25 0.031 -16.551 4.105 1.00 5.23 H new ATOM 0 HG2 GLN A 25 2.319 -16.542 4.963 1.00 24.35 H new ATOM 0 HG3 GLN A 25 1.326 -15.404 5.852 1.00 24.35 H new ATOM 0 HE21 GLN A 25 0.776 -15.822 8.044 1.00 2.20 H new ATOM 0 HE22 GLN A 25 1.632 -17.046 8.987 1.00 2.20 H new ATOM 409 N LEU A 26 -1.961 -14.787 5.433 1.00 2.23 N ATOM 410 CA LEU A 26 -2.316 -13.387 5.722 1.00 52.32 C ATOM 411 C LEU A 26 -3.245 -13.273 6.945 1.00 13.32 C ATOM 412 O LEU A 26 -3.158 -12.323 7.723 1.00 1.32 O ATOM 413 CB LEU A 26 -2.987 -12.727 4.507 1.00 34.24 C ATOM 414 CG LEU A 26 -2.062 -12.421 3.318 1.00 43.25 C ATOM 415 CD1 LEU A 26 -2.843 -11.736 2.198 1.00 35.42 C ATOM 416 CD2 LEU A 26 -0.883 -11.552 3.757 1.00 12.01 C ATOM 0 H LEU A 26 -2.255 -15.116 4.514 1.00 2.23 H new ATOM 0 HA LEU A 26 -1.385 -12.866 5.946 1.00 52.32 H new ATOM 0 HB2 LEU A 26 -3.790 -13.378 4.161 1.00 34.24 H new ATOM 0 HB3 LEU A 26 -3.450 -11.795 4.832 1.00 34.24 H new ATOM 0 HG LEU A 26 -1.668 -13.364 2.940 1.00 43.25 H new ATOM 0 HD11 LEU A 26 -2.174 -11.526 1.364 1.00 35.42 H new ATOM 0 HD12 LEU A 26 -3.647 -12.391 1.862 1.00 35.42 H new ATOM 0 HD13 LEU A 26 -3.266 -10.802 2.568 1.00 35.42 H new ATOM 0 HD21 LEU A 26 -0.242 -11.348 2.899 1.00 12.01 H new ATOM 0 HD22 LEU A 26 -1.256 -10.612 4.163 1.00 12.01 H new ATOM 0 HD23 LEU A 26 -0.310 -12.076 4.522 1.00 12.01 H new ATOM 428 N TYR A 27 -4.127 -14.250 7.104 1.00 41.12 N ATOM 429 CA TYR A 27 -5.100 -14.257 8.199 1.00 74.32 C ATOM 430 C TYR A 27 -4.447 -14.636 9.543 1.00 72.11 C ATOM 431 O TYR A 27 -4.912 -14.221 10.606 1.00 13.35 O ATOM 432 CB TYR A 27 -6.257 -15.212 7.861 1.00 33.45 C ATOM 433 CG TYR A 27 -7.145 -14.709 6.732 1.00 42.34 C ATOM 434 CD1 TYR A 27 -6.668 -14.616 5.428 1.00 4.40 C ATOM 435 CD2 TYR A 27 -8.453 -14.306 6.978 1.00 33.00 C ATOM 436 CE1 TYR A 27 -7.470 -14.141 4.406 1.00 55.33 C ATOM 437 CE2 TYR A 27 -9.258 -13.825 5.963 1.00 53.40 C ATOM 438 CZ TYR A 27 -8.764 -13.747 4.679 1.00 13.30 C ATOM 439 OH TYR A 27 -9.565 -13.260 3.667 1.00 23.12 O ATOM 0 H TYR A 27 -4.192 -15.058 6.484 1.00 41.12 H new ATOM 0 HA TYR A 27 -5.493 -13.247 8.311 1.00 74.32 H new ATOM 0 HB2 TYR A 27 -5.848 -16.184 7.586 1.00 33.45 H new ATOM 0 HB3 TYR A 27 -6.866 -15.363 8.752 1.00 33.45 H new ATOM 0 HD1 TYR A 27 -5.655 -14.920 5.210 1.00 4.40 H new ATOM 0 HD2 TYR A 27 -8.847 -14.370 7.981 1.00 33.00 H new ATOM 0 HE1 TYR A 27 -7.085 -14.079 3.399 1.00 55.33 H new ATOM 0 HE2 TYR A 27 -10.270 -13.512 6.175 1.00 53.40 H new ATOM 0 HH TYR A 27 -9.167 -13.481 2.799 1.00 23.12 H new ATOM 449 N GLU A 28 -3.375 -15.428 9.488 1.00 22.15 N ATOM 450 CA GLU A 28 -2.693 -15.904 10.708 1.00 71.11 C ATOM 451 C GLU A 28 -1.464 -15.052 11.085 1.00 73.41 C ATOM 452 O GLU A 28 -0.742 -15.401 12.022 1.00 54.22 O ATOM 453 CB GLU A 28 -2.241 -17.355 10.518 1.00 21.41 C ATOM 454 CG GLU A 28 -3.362 -18.315 10.140 1.00 73.41 C ATOM 455 CD GLU A 28 -2.856 -19.730 9.924 1.00 1.24 C ATOM 456 OE1 GLU A 28 -2.021 -19.933 9.018 1.00 11.20 O ATOM 457 OE2 GLU A 28 -3.285 -20.642 10.657 1.00 61.31 O ATOM 0 H GLU A 28 -2.956 -15.756 8.618 1.00 22.15 H new ATOM 0 HA GLU A 28 -3.417 -15.821 11.519 1.00 71.11 H new ATOM 0 HB2 GLU A 28 -1.475 -17.386 9.743 1.00 21.41 H new ATOM 0 HB3 GLU A 28 -1.776 -17.703 11.441 1.00 21.41 H new ATOM 0 HG2 GLU A 28 -4.117 -18.317 10.926 1.00 73.41 H new ATOM 0 HG3 GLU A 28 -3.849 -17.962 9.231 1.00 73.41 H new ATOM 464 N LEU A 29 -1.235 -13.942 10.376 1.00 4.31 N ATOM 465 CA LEU A 29 -0.026 -13.115 10.580 1.00 45.51 C ATOM 466 C LEU A 29 0.254 -12.811 12.068 1.00 55.11 C ATOM 467 O LEU A 29 1.369 -13.027 12.549 1.00 11.13 O ATOM 468 CB LEU A 29 -0.129 -11.807 9.777 1.00 45.33 C ATOM 469 CG LEU A 29 -0.086 -11.977 8.246 1.00 74.23 C ATOM 470 CD1 LEU A 29 -0.298 -10.640 7.535 1.00 2.51 C ATOM 471 CD2 LEU A 29 1.232 -12.614 7.808 1.00 11.42 C ATOM 0 H LEU A 29 -1.865 -13.590 9.656 1.00 4.31 H new ATOM 0 HA LEU A 29 0.818 -13.701 10.216 1.00 45.51 H new ATOM 0 HB2 LEU A 29 -1.059 -11.306 10.046 1.00 45.33 H new ATOM 0 HB3 LEU A 29 0.686 -11.149 10.077 1.00 45.33 H new ATOM 0 HG LEU A 29 -0.902 -12.642 7.963 1.00 74.23 H new ATOM 0 HD11 LEU A 29 -0.262 -10.792 6.456 1.00 2.51 H new ATOM 0 HD12 LEU A 29 -1.270 -10.231 7.812 1.00 2.51 H new ATOM 0 HD13 LEU A 29 0.487 -9.943 7.829 1.00 2.51 H new ATOM 0 HD21 LEU A 29 1.240 -12.724 6.724 1.00 11.42 H new ATOM 0 HD22 LEU A 29 2.063 -11.978 8.114 1.00 11.42 H new ATOM 0 HD23 LEU A 29 1.335 -13.594 8.273 1.00 11.42 H new ATOM 483 N ASP A 30 -0.744 -12.305 12.795 1.00 42.33 N ATOM 484 CA ASP A 30 -0.603 -12.087 14.244 1.00 11.40 C ATOM 485 C ASP A 30 -1.590 -12.948 15.054 1.00 74.05 C ATOM 486 O ASP A 30 -1.278 -13.391 16.163 1.00 21.33 O ATOM 487 CB ASP A 30 -0.767 -10.597 14.591 1.00 63.04 C ATOM 488 CG ASP A 30 -1.996 -9.949 13.968 1.00 32.05 C ATOM 489 OD1 ASP A 30 -2.940 -10.670 13.587 1.00 41.45 O ATOM 490 OD2 ASP A 30 -2.007 -8.705 13.839 1.00 12.21 O ATOM 0 H ASP A 30 -1.652 -12.039 12.413 1.00 42.33 H new ATOM 0 HA ASP A 30 0.404 -12.399 14.522 1.00 11.40 H new ATOM 0 HB2 ASP A 30 -0.822 -10.491 15.674 1.00 63.04 H new ATOM 0 HB3 ASP A 30 0.122 -10.058 14.263 1.00 63.04 H new ATOM 495 N GLY A 31 -2.776 -13.176 14.497 1.00 1.44 N ATOM 496 CA GLY A 31 -3.784 -13.992 15.165 1.00 21.05 C ATOM 497 C GLY A 31 -4.866 -13.162 15.849 1.00 64.35 C ATOM 498 O GLY A 31 -5.672 -13.695 16.616 1.00 4.44 O ATOM 0 H GLY A 31 -3.061 -12.809 13.589 1.00 1.44 H new ATOM 0 HA2 GLY A 31 -4.249 -14.654 14.435 1.00 21.05 H new ATOM 0 HA3 GLY A 31 -3.297 -14.626 15.906 1.00 21.05 H new ATOM 502 N ASP A 32 -4.886 -11.860 15.567 1.00 72.14 N ATOM 503 CA ASP A 32 -5.878 -10.949 16.149 1.00 31.51 C ATOM 504 C ASP A 32 -7.107 -10.778 15.236 1.00 24.33 C ATOM 505 O ASP A 32 -7.001 -10.845 14.009 1.00 2.11 O ATOM 506 CB ASP A 32 -5.232 -9.589 16.443 1.00 12.45 C ATOM 507 CG ASP A 32 -4.249 -9.679 17.593 1.00 44.44 C ATOM 508 OD1 ASP A 32 -4.683 -10.019 18.713 1.00 13.22 O ATOM 509 OD2 ASP A 32 -3.045 -9.409 17.395 1.00 70.24 O ATOM 0 H ASP A 32 -4.224 -11.408 14.936 1.00 72.14 H new ATOM 0 HA ASP A 32 -6.228 -11.390 17.082 1.00 31.51 H new ATOM 0 HB2 ASP A 32 -4.719 -9.228 15.552 1.00 12.45 H new ATOM 0 HB3 ASP A 32 -6.007 -8.861 16.681 1.00 12.45 H new ATOM 514 N PRO A 33 -8.295 -10.542 15.832 1.00 33.23 N ATOM 515 CA PRO A 33 -9.562 -10.422 15.082 1.00 13.14 C ATOM 516 C PRO A 33 -9.524 -9.331 13.996 1.00 42.44 C ATOM 517 O PRO A 33 -9.871 -9.577 12.838 1.00 1.01 O ATOM 518 CB PRO A 33 -10.594 -10.064 16.170 1.00 0.12 C ATOM 519 CG PRO A 33 -9.788 -9.593 17.336 1.00 71.25 C ATOM 520 CD PRO A 33 -8.506 -10.371 17.282 1.00 4.24 C ATOM 0 HA PRO A 33 -9.789 -11.340 14.539 1.00 13.14 H new ATOM 0 HB2 PRO A 33 -11.277 -9.288 15.824 1.00 0.12 H new ATOM 0 HB3 PRO A 33 -11.202 -10.929 16.435 1.00 0.12 H new ATOM 0 HG2 PRO A 33 -9.599 -8.521 17.274 1.00 71.25 H new ATOM 0 HG3 PRO A 33 -10.315 -9.770 18.274 1.00 71.25 H new ATOM 0 HD2 PRO A 33 -7.684 -9.830 17.750 1.00 4.24 H new ATOM 0 HD3 PRO A 33 -8.591 -11.329 17.795 1.00 4.24 H new ATOM 528 N LYS A 34 -9.078 -8.133 14.369 1.00 75.42 N ATOM 529 CA LYS A 34 -9.070 -6.990 13.450 1.00 11.54 C ATOM 530 C LYS A 34 -8.123 -7.203 12.254 1.00 22.42 C ATOM 531 O LYS A 34 -8.270 -6.549 11.225 1.00 35.42 O ATOM 532 CB LYS A 34 -8.713 -5.703 14.207 1.00 43.35 C ATOM 533 CG LYS A 34 -9.653 -5.414 15.379 1.00 45.12 C ATOM 534 CD LYS A 34 -11.121 -5.367 14.944 1.00 24.12 C ATOM 535 CE LYS A 34 -11.418 -4.189 14.022 1.00 45.53 C ATOM 536 NZ LYS A 34 -11.304 -2.887 14.731 1.00 11.33 N ATOM 0 H LYS A 34 -8.717 -7.926 15.300 1.00 75.42 H new ATOM 0 HA LYS A 34 -10.076 -6.895 13.040 1.00 11.54 H new ATOM 0 HB2 LYS A 34 -7.691 -5.779 14.579 1.00 43.35 H new ATOM 0 HB3 LYS A 34 -8.738 -4.862 13.514 1.00 43.35 H new ATOM 0 HG2 LYS A 34 -9.526 -6.182 16.142 1.00 45.12 H new ATOM 0 HG3 LYS A 34 -9.380 -4.463 15.835 1.00 45.12 H new ATOM 0 HD2 LYS A 34 -11.376 -6.296 14.435 1.00 24.12 H new ATOM 0 HD3 LYS A 34 -11.757 -5.303 15.827 1.00 24.12 H new ATOM 0 HE2 LYS A 34 -10.727 -4.205 13.179 1.00 45.53 H new ATOM 0 HE3 LYS A 34 -12.423 -4.293 13.613 1.00 45.53 H new ATOM 0 HZ1 LYS A 34 -11.643 -2.124 14.112 1.00 11.33 H new ATOM 0 HZ2 LYS A 34 -11.879 -2.912 15.597 1.00 11.33 H new ATOM 0 HZ3 LYS A 34 -10.309 -2.714 14.981 1.00 11.33 H new ATOM 550 N ARG A 35 -7.167 -8.124 12.389 1.00 4.52 N ATOM 551 CA ARG A 35 -6.274 -8.482 11.275 1.00 73.45 C ATOM 552 C ARG A 35 -7.071 -9.056 10.095 1.00 74.10 C ATOM 553 O ARG A 35 -7.102 -8.478 9.008 1.00 32.34 O ATOM 554 CB ARG A 35 -5.224 -9.508 11.732 1.00 15.54 C ATOM 555 CG ARG A 35 -4.339 -10.053 10.605 1.00 23.03 C ATOM 556 CD ARG A 35 -3.370 -9.004 10.066 1.00 24.11 C ATOM 557 NE ARG A 35 -2.377 -8.616 11.066 1.00 12.04 N ATOM 558 CZ ARG A 35 -1.119 -8.374 10.810 1.00 21.20 C ATOM 559 NH1 ARG A 35 -0.661 -8.425 9.602 1.00 3.02 N ATOM 560 NH2 ARG A 35 -0.317 -8.076 11.772 1.00 4.12 N ATOM 0 H ARG A 35 -6.988 -8.636 13.253 1.00 4.52 H new ATOM 0 HA ARG A 35 -5.769 -7.572 10.950 1.00 73.45 H new ATOM 0 HB2 ARG A 35 -4.587 -9.046 12.487 1.00 15.54 H new ATOM 0 HB3 ARG A 35 -5.734 -10.343 12.213 1.00 15.54 H new ATOM 0 HG2 ARG A 35 -3.775 -10.910 10.972 1.00 23.03 H new ATOM 0 HG3 ARG A 35 -4.970 -10.412 9.792 1.00 23.03 H new ATOM 0 HD2 ARG A 35 -2.863 -9.396 9.184 1.00 24.11 H new ATOM 0 HD3 ARG A 35 -3.928 -8.124 9.748 1.00 24.11 H new ATOM 0 HE ARG A 35 -2.689 -8.528 12.033 1.00 12.04 H new ATOM 0 HH11 ARG A 35 -1.285 -8.657 8.829 1.00 3.02 H new ATOM 0 HH12 ARG A 35 0.324 -8.233 9.422 1.00 3.02 H new ATOM 0 HH21 ARG A 35 -0.665 -8.030 12.730 1.00 4.12 H new ATOM 0 HH22 ARG A 35 0.666 -7.886 11.576 1.00 4.12 H new ATOM 574 N LYS A 36 -7.714 -10.199 10.320 1.00 21.05 N ATOM 575 CA LYS A 36 -8.496 -10.853 9.268 1.00 30.53 C ATOM 576 C LYS A 36 -9.743 -10.035 8.892 1.00 4.22 C ATOM 577 O LYS A 36 -10.121 -9.990 7.728 1.00 33.13 O ATOM 578 CB LYS A 36 -8.879 -12.302 9.642 1.00 34.22 C ATOM 579 CG LYS A 36 -9.744 -12.474 10.895 1.00 73.23 C ATOM 580 CD LYS A 36 -8.930 -12.460 12.193 1.00 44.30 C ATOM 581 CE LYS A 36 -7.774 -13.459 12.176 1.00 4.33 C ATOM 582 NZ LYS A 36 -8.246 -14.862 12.056 1.00 44.31 N ATOM 0 H LYS A 36 -7.711 -10.691 11.214 1.00 21.05 H new ATOM 0 HA LYS A 36 -7.852 -10.902 8.390 1.00 30.53 H new ATOM 0 HB2 LYS A 36 -9.408 -12.745 8.798 1.00 34.22 H new ATOM 0 HB3 LYS A 36 -7.961 -12.874 9.779 1.00 34.22 H new ATOM 0 HG2 LYS A 36 -10.486 -11.676 10.930 1.00 73.23 H new ATOM 0 HG3 LYS A 36 -10.290 -13.415 10.826 1.00 73.23 H new ATOM 0 HD2 LYS A 36 -8.536 -11.457 12.359 1.00 44.30 H new ATOM 0 HD3 LYS A 36 -9.588 -12.686 13.032 1.00 44.30 H new ATOM 0 HE2 LYS A 36 -7.109 -13.229 11.343 1.00 4.33 H new ATOM 0 HE3 LYS A 36 -7.189 -13.351 13.090 1.00 4.33 H new ATOM 0 HZ1 LYS A 36 -7.428 -15.504 12.049 1.00 44.31 H new ATOM 0 HZ2 LYS A 36 -8.859 -15.092 12.864 1.00 44.31 H new ATOM 0 HZ3 LYS A 36 -8.782 -14.974 11.172 1.00 44.31 H new ATOM 596 N GLU A 37 -10.369 -9.378 9.871 1.00 33.11 N ATOM 597 CA GLU A 37 -11.500 -8.477 9.589 1.00 52.21 C ATOM 598 C GLU A 37 -11.097 -7.382 8.585 1.00 50.12 C ATOM 599 O GLU A 37 -11.820 -7.107 7.624 1.00 13.25 O ATOM 600 CB GLU A 37 -12.019 -7.837 10.884 1.00 52.52 C ATOM 601 CG GLU A 37 -12.734 -8.813 11.814 1.00 32.13 C ATOM 602 CD GLU A 37 -13.193 -8.167 13.116 1.00 21.43 C ATOM 603 OE1 GLU A 37 -13.717 -7.033 13.074 1.00 5.22 O ATOM 604 OE2 GLU A 37 -13.029 -8.790 14.188 1.00 41.43 O ATOM 0 H GLU A 37 -10.119 -9.448 10.857 1.00 33.11 H new ATOM 0 HA GLU A 37 -12.298 -9.074 9.147 1.00 52.21 H new ATOM 0 HB2 GLU A 37 -11.180 -7.390 11.418 1.00 52.52 H new ATOM 0 HB3 GLU A 37 -12.702 -7.027 10.629 1.00 52.52 H new ATOM 0 HG2 GLU A 37 -13.598 -9.231 11.298 1.00 32.13 H new ATOM 0 HG3 GLU A 37 -12.066 -9.644 12.043 1.00 32.13 H new ATOM 611 N PHE A 38 -9.934 -6.768 8.821 1.00 20.22 N ATOM 612 CA PHE A 38 -9.362 -5.777 7.899 1.00 3.22 C ATOM 613 C PHE A 38 -9.185 -6.379 6.495 1.00 44.13 C ATOM 614 O PHE A 38 -9.548 -5.768 5.491 1.00 12.24 O ATOM 615 CB PHE A 38 -8.005 -5.298 8.446 1.00 64.11 C ATOM 616 CG PHE A 38 -7.296 -4.268 7.594 1.00 23.52 C ATOM 617 CD1 PHE A 38 -6.493 -4.655 6.529 1.00 23.44 C ATOM 618 CD2 PHE A 38 -7.419 -2.914 7.876 1.00 2.21 C ATOM 619 CE1 PHE A 38 -5.832 -3.716 5.762 1.00 42.24 C ATOM 620 CE2 PHE A 38 -6.760 -1.971 7.110 1.00 2.23 C ATOM 621 CZ PHE A 38 -5.965 -2.373 6.053 1.00 10.25 C ATOM 0 H PHE A 38 -9.365 -6.941 9.649 1.00 20.22 H new ATOM 0 HA PHE A 38 -10.044 -4.930 7.821 1.00 3.22 H new ATOM 0 HB2 PHE A 38 -8.159 -4.880 9.441 1.00 64.11 H new ATOM 0 HB3 PHE A 38 -7.352 -6.163 8.561 1.00 64.11 H new ATOM 0 HD1 PHE A 38 -6.384 -5.704 6.298 1.00 23.44 H new ATOM 0 HD2 PHE A 38 -8.036 -2.594 8.703 1.00 2.21 H new ATOM 0 HE1 PHE A 38 -5.212 -4.032 4.936 1.00 42.24 H new ATOM 0 HE2 PHE A 38 -6.866 -0.921 7.337 1.00 2.23 H new ATOM 0 HZ PHE A 38 -5.448 -1.637 5.455 1.00 10.25 H new ATOM 631 N LEU A 39 -8.629 -7.589 6.446 1.00 44.15 N ATOM 632 CA LEU A 39 -8.388 -8.291 5.179 1.00 24.22 C ATOM 633 C LEU A 39 -9.695 -8.585 4.426 1.00 30.32 C ATOM 634 O LEU A 39 -9.802 -8.315 3.233 1.00 3.13 O ATOM 635 CB LEU A 39 -7.630 -9.598 5.442 1.00 63.34 C ATOM 636 CG LEU A 39 -6.239 -9.432 6.071 1.00 45.04 C ATOM 637 CD1 LEU A 39 -5.614 -10.793 6.356 1.00 0.31 C ATOM 638 CD2 LEU A 39 -5.330 -8.593 5.172 1.00 72.11 C ATOM 0 H LEU A 39 -8.334 -8.109 7.273 1.00 44.15 H new ATOM 0 HA LEU A 39 -7.786 -7.636 4.549 1.00 24.22 H new ATOM 0 HB2 LEU A 39 -8.235 -10.225 6.097 1.00 63.34 H new ATOM 0 HB3 LEU A 39 -7.523 -10.133 4.499 1.00 63.34 H new ATOM 0 HG LEU A 39 -6.354 -8.904 7.018 1.00 45.04 H new ATOM 0 HD11 LEU A 39 -4.629 -10.655 6.801 1.00 0.31 H new ATOM 0 HD12 LEU A 39 -6.250 -11.348 7.046 1.00 0.31 H new ATOM 0 HD13 LEU A 39 -5.516 -11.351 5.425 1.00 0.31 H new ATOM 0 HD21 LEU A 39 -4.351 -8.490 5.639 1.00 72.11 H new ATOM 0 HD22 LEU A 39 -5.221 -9.084 4.205 1.00 72.11 H new ATOM 0 HD23 LEU A 39 -5.770 -7.606 5.030 1.00 72.11 H new ATOM 650 N ASP A 40 -10.680 -9.144 5.126 1.00 25.52 N ATOM 651 CA ASP A 40 -11.982 -9.454 4.523 1.00 31.13 C ATOM 652 C ASP A 40 -12.654 -8.206 3.925 1.00 74.42 C ATOM 653 O ASP A 40 -13.158 -8.248 2.800 1.00 73.23 O ATOM 654 CB ASP A 40 -12.907 -10.120 5.551 1.00 54.50 C ATOM 655 CG ASP A 40 -12.586 -11.593 5.752 1.00 13.10 C ATOM 656 OD1 ASP A 40 -12.968 -12.406 4.881 1.00 65.24 O ATOM 657 OD2 ASP A 40 -11.970 -11.950 6.776 1.00 41.35 O ATOM 0 H ASP A 40 -10.605 -9.393 6.112 1.00 25.52 H new ATOM 0 HA ASP A 40 -11.801 -10.151 3.704 1.00 31.13 H new ATOM 0 HB2 ASP A 40 -12.821 -9.599 6.504 1.00 54.50 H new ATOM 0 HB3 ASP A 40 -13.942 -10.018 5.224 1.00 54.50 H new ATOM 662 N ASP A 41 -12.660 -7.101 4.670 1.00 54.21 N ATOM 663 CA ASP A 41 -13.221 -5.842 4.163 1.00 75.11 C ATOM 664 C ASP A 41 -12.390 -5.310 2.982 1.00 22.54 C ATOM 665 O ASP A 41 -12.941 -4.867 1.976 1.00 1.02 O ATOM 666 CB ASP A 41 -13.291 -4.797 5.284 1.00 44.35 C ATOM 667 CG ASP A 41 -13.961 -3.506 4.835 1.00 41.20 C ATOM 668 OD1 ASP A 41 -15.191 -3.510 4.617 1.00 5.11 O ATOM 669 OD2 ASP A 41 -13.268 -2.480 4.697 1.00 33.10 O ATOM 0 H ASP A 41 -12.287 -7.048 5.618 1.00 54.21 H new ATOM 0 HA ASP A 41 -14.232 -6.038 3.807 1.00 75.11 H new ATOM 0 HB2 ASP A 41 -13.839 -5.212 6.130 1.00 44.35 H new ATOM 0 HB3 ASP A 41 -12.283 -4.577 5.635 1.00 44.35 H new ATOM 674 N LEU A 42 -11.063 -5.374 3.113 1.00 13.45 N ATOM 675 CA LEU A 42 -10.140 -4.964 2.044 1.00 32.01 C ATOM 676 C LEU A 42 -10.418 -5.716 0.729 1.00 11.13 C ATOM 677 O LEU A 42 -10.707 -5.101 -0.302 1.00 73.02 O ATOM 678 CB LEU A 42 -8.687 -5.215 2.489 1.00 52.43 C ATOM 679 CG LEU A 42 -7.610 -5.066 1.398 1.00 23.35 C ATOM 680 CD1 LEU A 42 -7.560 -3.637 0.864 1.00 52.44 C ATOM 681 CD2 LEU A 42 -6.244 -5.497 1.931 1.00 44.25 C ATOM 0 H LEU A 42 -10.597 -5.709 3.956 1.00 13.45 H new ATOM 0 HA LEU A 42 -10.295 -3.901 1.859 1.00 32.01 H new ATOM 0 HB2 LEU A 42 -8.452 -4.525 3.300 1.00 52.43 H new ATOM 0 HB3 LEU A 42 -8.623 -6.223 2.899 1.00 52.43 H new ATOM 0 HG LEU A 42 -7.877 -5.720 0.568 1.00 23.35 H new ATOM 0 HD11 LEU A 42 -6.791 -3.562 0.095 1.00 52.44 H new ATOM 0 HD12 LEU A 42 -8.527 -3.375 0.436 1.00 52.44 H new ATOM 0 HD13 LEU A 42 -7.326 -2.952 1.679 1.00 52.44 H new ATOM 0 HD21 LEU A 42 -5.496 -5.385 1.147 1.00 44.25 H new ATOM 0 HD22 LEU A 42 -5.973 -4.874 2.783 1.00 44.25 H new ATOM 0 HD23 LEU A 42 -6.288 -6.540 2.244 1.00 44.25 H new ATOM 693 N PHE A 43 -10.340 -7.049 0.781 1.00 3.34 N ATOM 694 CA PHE A 43 -10.534 -7.892 -0.406 1.00 11.02 C ATOM 695 C PHE A 43 -11.934 -7.702 -1.005 1.00 72.14 C ATOM 696 O PHE A 43 -12.076 -7.495 -2.209 1.00 54.12 O ATOM 697 CB PHE A 43 -10.305 -9.374 -0.066 1.00 53.23 C ATOM 698 CG PHE A 43 -8.920 -9.678 0.464 1.00 31.05 C ATOM 699 CD1 PHE A 43 -7.798 -9.063 -0.076 1.00 44.42 C ATOM 700 CD2 PHE A 43 -8.745 -10.590 1.494 1.00 74.02 C ATOM 701 CE1 PHE A 43 -6.533 -9.351 0.404 1.00 22.34 C ATOM 702 CE2 PHE A 43 -7.483 -10.879 1.977 1.00 21.21 C ATOM 703 CZ PHE A 43 -6.376 -10.260 1.432 1.00 55.04 C ATOM 0 H PHE A 43 -10.143 -7.571 1.635 1.00 3.34 H new ATOM 0 HA PHE A 43 -9.799 -7.582 -1.149 1.00 11.02 H new ATOM 0 HB2 PHE A 43 -11.042 -9.684 0.675 1.00 53.23 H new ATOM 0 HB3 PHE A 43 -10.480 -9.972 -0.960 1.00 53.23 H new ATOM 0 HD1 PHE A 43 -7.914 -8.352 -0.880 1.00 44.42 H new ATOM 0 HD2 PHE A 43 -9.606 -11.080 1.924 1.00 74.02 H new ATOM 0 HE1 PHE A 43 -5.669 -8.865 -0.025 1.00 22.34 H new ATOM 0 HE2 PHE A 43 -7.363 -11.590 2.781 1.00 21.21 H new ATOM 0 HZ PHE A 43 -5.389 -10.486 1.809 1.00 55.04 H new ATOM 713 N SER A 44 -12.958 -7.765 -0.156 1.00 35.15 N ATOM 714 CA SER A 44 -14.352 -7.580 -0.592 1.00 1.04 C ATOM 715 C SER A 44 -14.556 -6.208 -1.252 1.00 32.15 C ATOM 716 O SER A 44 -15.129 -6.104 -2.340 1.00 71.13 O ATOM 717 CB SER A 44 -15.306 -7.726 0.602 1.00 50.35 C ATOM 718 OG SER A 44 -16.655 -7.522 0.214 1.00 50.45 O ATOM 0 H SER A 44 -12.854 -7.943 0.843 1.00 35.15 H new ATOM 0 HA SER A 44 -14.573 -8.351 -1.330 1.00 1.04 H new ATOM 0 HB2 SER A 44 -15.197 -8.719 1.037 1.00 50.35 H new ATOM 0 HB3 SER A 44 -15.036 -7.007 1.376 1.00 50.35 H new ATOM 0 HG SER A 44 -17.239 -7.623 0.995 1.00 50.45 H new ATOM 724 N PHE A 45 -14.060 -5.166 -0.592 1.00 73.21 N ATOM 725 CA PHE A 45 -14.191 -3.790 -1.078 1.00 13.12 C ATOM 726 C PHE A 45 -13.643 -3.631 -2.509 1.00 25.23 C ATOM 727 O PHE A 45 -14.353 -3.188 -3.417 1.00 3.15 O ATOM 728 CB PHE A 45 -13.452 -2.845 -0.118 1.00 61.13 C ATOM 729 CG PHE A 45 -13.450 -1.398 -0.540 1.00 12.52 C ATOM 730 CD1 PHE A 45 -14.589 -0.618 -0.397 1.00 24.33 C ATOM 731 CD2 PHE A 45 -12.305 -0.817 -1.070 1.00 12.21 C ATOM 732 CE1 PHE A 45 -14.584 0.709 -0.774 1.00 42.01 C ATOM 733 CE2 PHE A 45 -12.300 0.509 -1.448 1.00 24.41 C ATOM 734 CZ PHE A 45 -13.440 1.272 -1.300 1.00 53.20 C ATOM 0 H PHE A 45 -13.557 -5.247 0.292 1.00 73.21 H new ATOM 0 HA PHE A 45 -15.251 -3.537 -1.110 1.00 13.12 H new ATOM 0 HB2 PHE A 45 -13.908 -2.921 0.869 1.00 61.13 H new ATOM 0 HB3 PHE A 45 -12.420 -3.183 -0.019 1.00 61.13 H new ATOM 0 HD1 PHE A 45 -15.488 -1.054 0.013 1.00 24.33 H new ATOM 0 HD2 PHE A 45 -11.410 -1.410 -1.187 1.00 12.21 H new ATOM 0 HE1 PHE A 45 -15.476 1.307 -0.657 1.00 42.01 H new ATOM 0 HE2 PHE A 45 -11.404 0.950 -1.860 1.00 24.41 H new ATOM 0 HZ PHE A 45 -13.437 2.311 -1.596 1.00 53.20 H new ATOM 744 N MET A 46 -12.379 -3.999 -2.707 1.00 5.31 N ATOM 745 CA MET A 46 -11.734 -3.859 -4.017 1.00 41.04 C ATOM 746 C MET A 46 -12.312 -4.846 -5.054 1.00 44.35 C ATOM 747 O MET A 46 -12.525 -4.486 -6.215 1.00 15.11 O ATOM 748 CB MET A 46 -10.213 -4.040 -3.884 1.00 24.31 C ATOM 749 CG MET A 46 -9.790 -5.388 -3.311 1.00 43.02 C ATOM 750 SD MET A 46 -8.005 -5.530 -3.119 1.00 62.54 S ATOM 751 CE MET A 46 -7.474 -5.262 -4.806 1.00 54.20 C ATOM 0 H MET A 46 -11.781 -4.395 -1.982 1.00 5.31 H new ATOM 0 HA MET A 46 -11.941 -2.852 -4.381 1.00 41.04 H new ATOM 0 HB2 MET A 46 -9.757 -3.916 -4.866 1.00 24.31 H new ATOM 0 HB3 MET A 46 -9.819 -3.248 -3.248 1.00 24.31 H new ATOM 0 HG2 MET A 46 -10.268 -5.533 -2.342 1.00 43.02 H new ATOM 0 HG3 MET A 46 -10.146 -6.184 -3.965 1.00 43.02 H new ATOM 0 HE1 MET A 46 -6.408 -5.475 -4.890 1.00 54.20 H new ATOM 0 HE2 MET A 46 -8.030 -5.922 -5.472 1.00 54.20 H new ATOM 0 HE3 MET A 46 -7.660 -4.225 -5.086 1.00 54.20 H new ATOM 761 N GLN A 47 -12.587 -6.077 -4.624 1.00 4.13 N ATOM 762 CA GLN A 47 -13.118 -7.120 -5.514 1.00 13.45 C ATOM 763 C GLN A 47 -14.451 -6.697 -6.154 1.00 71.31 C ATOM 764 O GLN A 47 -14.685 -6.917 -7.345 1.00 72.44 O ATOM 765 CB GLN A 47 -13.315 -8.424 -4.725 1.00 45.40 C ATOM 766 CG GLN A 47 -13.764 -9.614 -5.569 1.00 61.11 C ATOM 767 CD GLN A 47 -14.079 -10.843 -4.730 1.00 23.24 C ATOM 768 OE1 GLN A 47 -14.535 -10.741 -3.596 1.00 24.11 O ATOM 769 NE2 GLN A 47 -13.824 -12.016 -5.273 1.00 3.11 N ATOM 0 H GLN A 47 -12.451 -6.382 -3.660 1.00 4.13 H new ATOM 0 HA GLN A 47 -12.395 -7.275 -6.315 1.00 13.45 H new ATOM 0 HB2 GLN A 47 -12.378 -8.679 -4.230 1.00 45.40 H new ATOM 0 HB3 GLN A 47 -14.053 -8.252 -3.942 1.00 45.40 H new ATOM 0 HG2 GLN A 47 -14.648 -9.335 -6.143 1.00 61.11 H new ATOM 0 HG3 GLN A 47 -12.982 -9.860 -6.288 1.00 61.11 H new ATOM 0 HE21 GLN A 47 -13.445 -12.069 -6.218 1.00 3.11 H new ATOM 0 HE22 GLN A 47 -14.006 -12.871 -4.748 1.00 3.11 H new ATOM 778 N LYS A 48 -15.320 -6.086 -5.356 1.00 22.22 N ATOM 779 CA LYS A 48 -16.651 -5.690 -5.824 1.00 62.40 C ATOM 780 C LYS A 48 -16.606 -4.502 -6.803 1.00 23.32 C ATOM 781 O LYS A 48 -17.472 -4.377 -7.669 1.00 43.23 O ATOM 782 CB LYS A 48 -17.556 -5.381 -4.627 1.00 35.52 C ATOM 783 CG LYS A 48 -17.839 -6.607 -3.764 1.00 45.41 C ATOM 784 CD LYS A 48 -18.696 -6.280 -2.547 1.00 52.11 C ATOM 785 CE LYS A 48 -18.964 -7.523 -1.706 1.00 14.42 C ATOM 786 NZ LYS A 48 -19.742 -7.212 -0.481 1.00 51.12 N ATOM 0 H LYS A 48 -15.130 -5.853 -4.381 1.00 22.22 H new ATOM 0 HA LYS A 48 -17.066 -6.531 -6.380 1.00 62.40 H new ATOM 0 HB2 LYS A 48 -17.088 -4.611 -4.013 1.00 35.52 H new ATOM 0 HB3 LYS A 48 -18.499 -4.971 -4.988 1.00 35.52 H new ATOM 0 HG2 LYS A 48 -18.343 -7.363 -4.367 1.00 45.41 H new ATOM 0 HG3 LYS A 48 -16.895 -7.040 -3.434 1.00 45.41 H new ATOM 0 HD2 LYS A 48 -18.194 -5.528 -1.938 1.00 52.11 H new ATOM 0 HD3 LYS A 48 -19.642 -5.848 -2.872 1.00 52.11 H new ATOM 0 HE2 LYS A 48 -19.508 -8.254 -2.304 1.00 14.42 H new ATOM 0 HE3 LYS A 48 -18.016 -7.982 -1.426 1.00 14.42 H new ATOM 0 HZ1 LYS A 48 -19.901 -8.086 0.060 1.00 51.12 H new ATOM 0 HZ2 LYS A 48 -19.213 -6.534 0.104 1.00 51.12 H new ATOM 0 HZ3 LYS A 48 -20.658 -6.798 -0.747 1.00 51.12 H new ATOM 800 N ARG A 49 -15.596 -3.636 -6.683 1.00 10.25 N ATOM 801 CA ARG A 49 -15.447 -2.511 -7.627 1.00 2.31 C ATOM 802 C ARG A 49 -14.609 -2.899 -8.863 1.00 3.42 C ATOM 803 O ARG A 49 -14.057 -2.035 -9.544 1.00 54.44 O ATOM 804 CB ARG A 49 -14.845 -1.270 -6.939 1.00 72.32 C ATOM 805 CG ARG A 49 -13.466 -1.483 -6.321 1.00 24.35 C ATOM 806 CD ARG A 49 -12.771 -0.156 -6.018 1.00 3.02 C ATOM 807 NE ARG A 49 -12.387 0.551 -7.243 1.00 20.44 N ATOM 808 CZ ARG A 49 -12.020 1.807 -7.291 1.00 12.43 C ATOM 809 NH1 ARG A 49 -12.057 2.552 -6.236 1.00 0.11 N ATOM 810 NH2 ARG A 49 -11.634 2.326 -8.410 1.00 53.54 N ATOM 0 H ARG A 49 -14.879 -3.684 -5.959 1.00 10.25 H new ATOM 0 HA ARG A 49 -16.451 -2.260 -7.970 1.00 2.31 H new ATOM 0 HB2 ARG A 49 -14.779 -0.464 -7.670 1.00 72.32 H new ATOM 0 HB3 ARG A 49 -15.529 -0.938 -6.158 1.00 72.32 H new ATOM 0 HG2 ARG A 49 -13.564 -2.060 -5.402 1.00 24.35 H new ATOM 0 HG3 ARG A 49 -12.849 -2.070 -7.001 1.00 24.35 H new ATOM 0 HD2 ARG A 49 -13.435 0.475 -5.427 1.00 3.02 H new ATOM 0 HD3 ARG A 49 -11.884 -0.341 -5.412 1.00 3.02 H new ATOM 0 HE ARG A 49 -12.407 0.028 -8.119 1.00 20.44 H new ATOM 0 HH11 ARG A 49 -12.376 2.164 -5.348 1.00 0.11 H new ATOM 0 HH12 ARG A 49 -11.768 3.529 -6.291 1.00 0.11 H new ATOM 0 HH21 ARG A 49 -11.615 1.757 -9.256 1.00 53.54 H new ATOM 0 HH22 ARG A 49 -11.348 3.304 -8.447 1.00 53.54 H new ATOM 824 N GLY A 50 -14.521 -4.200 -9.146 1.00 45.13 N ATOM 825 CA GLY A 50 -13.912 -4.666 -10.394 1.00 10.12 C ATOM 826 C GLY A 50 -12.398 -4.874 -10.333 1.00 2.21 C ATOM 827 O GLY A 50 -11.757 -5.064 -11.369 1.00 40.32 O ATOM 0 H GLY A 50 -14.860 -4.943 -8.535 1.00 45.13 H new ATOM 0 HA2 GLY A 50 -14.382 -5.606 -10.682 1.00 10.12 H new ATOM 0 HA3 GLY A 50 -14.134 -3.945 -11.181 1.00 10.12 H new ATOM 831 N THR A 51 -11.818 -4.851 -9.134 1.00 65.31 N ATOM 832 CA THR A 51 -10.367 -5.049 -8.976 1.00 45.03 C ATOM 833 C THR A 51 -10.033 -5.948 -7.775 1.00 43.21 C ATOM 834 O THR A 51 -9.814 -5.464 -6.668 1.00 33.14 O ATOM 835 CB THR A 51 -9.613 -3.697 -8.840 1.00 32.40 C ATOM 836 OG1 THR A 51 -8.261 -3.919 -8.410 1.00 43.32 O ATOM 837 CG2 THR A 51 -10.311 -2.753 -7.864 1.00 11.31 C ATOM 0 H THR A 51 -12.321 -4.699 -8.260 1.00 65.31 H new ATOM 0 HA THR A 51 -10.030 -5.549 -9.884 1.00 45.03 H new ATOM 0 HB THR A 51 -9.612 -3.227 -9.824 1.00 32.40 H new ATOM 0 HG1 THR A 51 -7.798 -3.059 -8.330 1.00 43.32 H new ATOM 0 HG21 THR A 51 -9.752 -1.820 -7.798 1.00 11.31 H new ATOM 0 HG22 THR A 51 -11.321 -2.547 -8.217 1.00 11.31 H new ATOM 0 HG23 THR A 51 -10.359 -3.218 -6.879 1.00 11.31 H new ATOM 845 N PRO A 52 -10.013 -7.278 -7.975 1.00 52.11 N ATOM 846 CA PRO A 52 -9.698 -8.241 -6.911 1.00 25.44 C ATOM 847 C PRO A 52 -8.198 -8.575 -6.800 1.00 23.22 C ATOM 848 O PRO A 52 -7.390 -8.179 -7.641 1.00 4.43 O ATOM 849 CB PRO A 52 -10.486 -9.468 -7.365 1.00 23.44 C ATOM 850 CG PRO A 52 -10.406 -9.428 -8.858 1.00 40.02 C ATOM 851 CD PRO A 52 -10.317 -7.965 -9.248 1.00 24.20 C ATOM 0 HA PRO A 52 -9.952 -7.861 -5.921 1.00 25.44 H new ATOM 0 HB2 PRO A 52 -10.054 -10.387 -6.968 1.00 23.44 H new ATOM 0 HB3 PRO A 52 -11.519 -9.427 -7.021 1.00 23.44 H new ATOM 0 HG2 PRO A 52 -9.535 -9.978 -9.214 1.00 40.02 H new ATOM 0 HG3 PRO A 52 -11.283 -9.896 -9.306 1.00 40.02 H new ATOM 0 HD2 PRO A 52 -9.537 -7.796 -9.990 1.00 24.20 H new ATOM 0 HD3 PRO A 52 -11.252 -7.609 -9.681 1.00 24.20 H new ATOM 859 N VAL A 53 -7.835 -9.311 -5.752 1.00 51.41 N ATOM 860 CA VAL A 53 -6.457 -9.775 -5.572 1.00 53.33 C ATOM 861 C VAL A 53 -6.238 -11.123 -6.282 1.00 42.03 C ATOM 862 O VAL A 53 -6.722 -12.160 -5.825 1.00 70.34 O ATOM 863 CB VAL A 53 -6.099 -9.920 -4.068 1.00 61.23 C ATOM 864 CG1 VAL A 53 -4.653 -10.388 -3.885 1.00 1.14 C ATOM 865 CG2 VAL A 53 -6.342 -8.606 -3.327 1.00 65.43 C ATOM 0 H VAL A 53 -8.475 -9.600 -5.012 1.00 51.41 H new ATOM 0 HA VAL A 53 -5.803 -9.024 -6.015 1.00 53.33 H new ATOM 0 HB VAL A 53 -6.751 -10.681 -3.640 1.00 61.23 H new ATOM 0 HG11 VAL A 53 -4.432 -10.480 -2.822 1.00 1.14 H new ATOM 0 HG12 VAL A 53 -4.520 -11.356 -4.368 1.00 1.14 H new ATOM 0 HG13 VAL A 53 -3.976 -9.662 -4.335 1.00 1.14 H new ATOM 0 HG21 VAL A 53 -6.085 -8.729 -2.275 1.00 65.43 H new ATOM 0 HG22 VAL A 53 -5.722 -7.822 -3.763 1.00 65.43 H new ATOM 0 HG23 VAL A 53 -7.392 -8.328 -3.414 1.00 65.43 H new ATOM 875 N ASN A 54 -5.528 -11.098 -7.409 1.00 34.32 N ATOM 876 CA ASN A 54 -5.249 -12.320 -8.177 1.00 14.54 C ATOM 877 C ASN A 54 -4.208 -13.200 -7.468 1.00 53.22 C ATOM 878 O ASN A 54 -4.399 -14.403 -7.304 1.00 61.34 O ATOM 879 CB ASN A 54 -4.756 -11.967 -9.586 1.00 35.33 C ATOM 880 CG ASN A 54 -5.737 -11.094 -10.348 1.00 34.24 C ATOM 881 OD1 ASN A 54 -5.648 -9.869 -10.325 1.00 44.01 O ATOM 882 ND2 ASN A 54 -6.678 -11.714 -11.024 1.00 42.41 N ATOM 0 H ASN A 54 -5.134 -10.249 -7.814 1.00 34.32 H new ATOM 0 HA ASN A 54 -6.180 -12.882 -8.252 1.00 14.54 H new ATOM 0 HB2 ASN A 54 -3.798 -11.452 -9.513 1.00 35.33 H new ATOM 0 HB3 ASN A 54 -4.582 -12.886 -10.146 1.00 35.33 H new ATOM 0 HD21 ASN A 54 -7.365 -11.176 -11.552 1.00 42.41 H new ATOM 0 HD22 ASN A 54 -6.721 -12.733 -11.020 1.00 42.41 H new ATOM 889 N ARG A 55 -3.093 -12.590 -7.067 1.00 34.14 N ATOM 890 CA ARG A 55 -2.033 -13.294 -6.333 1.00 54.34 C ATOM 891 C ARG A 55 -1.514 -12.443 -5.165 1.00 53.32 C ATOM 892 O ARG A 55 -1.469 -11.214 -5.249 1.00 44.35 O ATOM 893 CB ARG A 55 -0.857 -13.649 -7.259 1.00 10.13 C ATOM 894 CG ARG A 55 -1.183 -14.677 -8.340 1.00 3.33 C ATOM 895 CD ARG A 55 0.057 -15.046 -9.149 1.00 21.13 C ATOM 896 NE ARG A 55 -0.241 -15.997 -10.220 1.00 0.51 N ATOM 897 CZ ARG A 55 0.662 -16.715 -10.827 1.00 41.43 C ATOM 898 NH1 ARG A 55 1.905 -16.633 -10.483 1.00 10.42 N ATOM 899 NH2 ARG A 55 0.322 -17.520 -11.781 1.00 11.03 N ATOM 0 H ARG A 55 -2.897 -11.604 -7.238 1.00 34.14 H new ATOM 0 HA ARG A 55 -2.469 -14.213 -5.942 1.00 54.34 H new ATOM 0 HB2 ARG A 55 -0.503 -12.737 -7.739 1.00 10.13 H new ATOM 0 HB3 ARG A 55 -0.036 -14.029 -6.651 1.00 10.13 H new ATOM 0 HG2 ARG A 55 -1.598 -15.573 -7.879 1.00 3.33 H new ATOM 0 HG3 ARG A 55 -1.948 -14.277 -9.006 1.00 3.33 H new ATOM 0 HD2 ARG A 55 0.490 -14.143 -9.579 1.00 21.13 H new ATOM 0 HD3 ARG A 55 0.807 -15.474 -8.484 1.00 21.13 H new ATOM 0 HE ARG A 55 -1.213 -16.105 -10.509 1.00 0.51 H new ATOM 0 HH11 ARG A 55 2.186 -16.003 -9.731 1.00 10.42 H new ATOM 0 HH12 ARG A 55 2.605 -17.198 -10.963 1.00 10.42 H new ATOM 0 HH21 ARG A 55 -0.656 -17.595 -12.061 1.00 11.03 H new ATOM 0 HH22 ARG A 55 1.032 -18.080 -12.253 1.00 11.03 H new ATOM 913 N ILE A 56 -1.117 -13.105 -4.083 1.00 70.15 N ATOM 914 CA ILE A 56 -0.548 -12.419 -2.922 1.00 63.53 C ATOM 915 C ILE A 56 0.970 -12.228 -3.092 1.00 22.01 C ATOM 916 O ILE A 56 1.718 -13.204 -3.173 1.00 70.11 O ATOM 917 CB ILE A 56 -0.829 -13.208 -1.620 1.00 5.04 C ATOM 918 CG1 ILE A 56 -2.346 -13.415 -1.449 1.00 10.24 C ATOM 919 CG2 ILE A 56 -0.235 -12.484 -0.408 1.00 74.40 C ATOM 920 CD1 ILE A 56 -2.720 -14.287 -0.270 1.00 4.23 C ATOM 0 H ILE A 56 -1.178 -14.118 -3.983 1.00 70.15 H new ATOM 0 HA ILE A 56 -1.024 -11.441 -2.850 1.00 63.53 H new ATOM 0 HB ILE A 56 -0.351 -14.185 -1.691 1.00 5.04 H new ATOM 0 HG12 ILE A 56 -2.824 -12.442 -1.334 1.00 10.24 H new ATOM 0 HG13 ILE A 56 -2.746 -13.862 -2.359 1.00 10.24 H new ATOM 0 HG21 ILE A 56 -0.444 -13.056 0.496 1.00 74.40 H new ATOM 0 HG22 ILE A 56 0.843 -12.387 -0.535 1.00 74.40 H new ATOM 0 HG23 ILE A 56 -0.681 -11.493 -0.322 1.00 74.40 H new ATOM 0 HD11 ILE A 56 -3.804 -14.384 -0.219 1.00 4.23 H new ATOM 0 HD12 ILE A 56 -2.273 -15.274 -0.391 1.00 4.23 H new ATOM 0 HD13 ILE A 56 -2.352 -13.832 0.650 1.00 4.23 H new ATOM 932 N PRO A 57 1.445 -10.967 -3.149 1.00 22.12 N ATOM 933 CA PRO A 57 2.870 -10.668 -3.391 1.00 21.11 C ATOM 934 C PRO A 57 3.806 -11.183 -2.280 1.00 44.12 C ATOM 935 O PRO A 57 3.552 -10.990 -1.088 1.00 43.33 O ATOM 936 CB PRO A 57 2.904 -9.132 -3.466 1.00 13.23 C ATOM 937 CG PRO A 57 1.687 -8.684 -2.726 1.00 32.42 C ATOM 938 CD PRO A 57 0.644 -9.737 -2.982 1.00 74.31 C ATOM 0 HA PRO A 57 3.232 -11.165 -4.291 1.00 21.11 H new ATOM 0 HB2 PRO A 57 3.811 -8.734 -3.012 1.00 13.23 H new ATOM 0 HB3 PRO A 57 2.887 -8.786 -4.500 1.00 13.23 H new ATOM 0 HG2 PRO A 57 1.891 -8.586 -1.660 1.00 32.42 H new ATOM 0 HG3 PRO A 57 1.352 -7.708 -3.077 1.00 32.42 H new ATOM 0 HD2 PRO A 57 -0.056 -9.821 -2.151 1.00 74.31 H new ATOM 0 HD3 PRO A 57 0.056 -9.514 -3.873 1.00 74.31 H new ATOM 946 N ILE A 58 4.893 -11.841 -2.684 1.00 64.23 N ATOM 947 CA ILE A 58 5.895 -12.351 -1.741 1.00 45.32 C ATOM 948 C ILE A 58 7.253 -11.662 -1.962 1.00 34.31 C ATOM 949 O ILE A 58 7.711 -11.525 -3.098 1.00 31.42 O ATOM 950 CB ILE A 58 6.080 -13.885 -1.886 1.00 15.42 C ATOM 951 CG1 ILE A 58 4.722 -14.609 -1.836 1.00 52.45 C ATOM 952 CG2 ILE A 58 7.019 -14.424 -0.803 1.00 23.40 C ATOM 953 CD1 ILE A 58 3.948 -14.385 -0.557 1.00 65.05 C ATOM 0 H ILE A 58 5.105 -12.035 -3.663 1.00 64.23 H new ATOM 0 HA ILE A 58 5.531 -12.131 -0.737 1.00 45.32 H new ATOM 0 HB ILE A 58 6.533 -14.079 -2.858 1.00 15.42 H new ATOM 0 HG12 ILE A 58 4.115 -14.277 -2.678 1.00 52.45 H new ATOM 0 HG13 ILE A 58 4.888 -15.679 -1.965 1.00 52.45 H new ATOM 0 HG21 ILE A 58 7.134 -15.501 -0.924 1.00 23.40 H new ATOM 0 HG22 ILE A 58 7.993 -13.943 -0.893 1.00 23.40 H new ATOM 0 HG23 ILE A 58 6.600 -14.212 0.181 1.00 23.40 H new ATOM 0 HD11 ILE A 58 3.005 -14.929 -0.603 1.00 65.05 H new ATOM 0 HD12 ILE A 58 4.533 -14.744 0.290 1.00 65.05 H new ATOM 0 HD13 ILE A 58 3.748 -13.321 -0.435 1.00 65.05 H new ATOM 965 N MET A 59 7.886 -11.234 -0.874 1.00 61.22 N ATOM 966 CA MET A 59 9.165 -10.516 -0.939 1.00 33.34 C ATOM 967 C MET A 59 10.222 -11.168 -0.026 1.00 41.12 C ATOM 968 O MET A 59 10.040 -11.235 1.191 1.00 71.20 O ATOM 969 CB MET A 59 8.952 -9.051 -0.526 1.00 72.13 C ATOM 970 CG MET A 59 10.227 -8.218 -0.516 1.00 0.55 C ATOM 971 SD MET A 59 10.933 -7.994 -2.160 1.00 30.24 S ATOM 972 CE MET A 59 9.703 -6.937 -2.919 1.00 4.42 C ATOM 0 H MET A 59 7.534 -11.371 0.074 1.00 61.22 H new ATOM 0 HA MET A 59 9.532 -10.563 -1.964 1.00 33.34 H new ATOM 0 HB2 MET A 59 8.236 -8.592 -1.208 1.00 72.13 H new ATOM 0 HB3 MET A 59 8.506 -9.026 0.468 1.00 72.13 H new ATOM 0 HG2 MET A 59 10.013 -7.241 -0.082 1.00 0.55 H new ATOM 0 HG3 MET A 59 10.964 -8.699 0.128 1.00 0.55 H new ATOM 0 HE1 MET A 59 10.130 -6.454 -3.798 1.00 4.42 H new ATOM 0 HE2 MET A 59 8.842 -7.536 -3.216 1.00 4.42 H new ATOM 0 HE3 MET A 59 9.387 -6.176 -2.205 1.00 4.42 H new ATOM 982 N ALA A 60 11.319 -11.651 -0.621 1.00 4.32 N ATOM 983 CA ALA A 60 12.450 -12.217 0.140 1.00 50.34 C ATOM 984 C ALA A 60 12.014 -13.370 1.068 1.00 1.34 C ATOM 985 O ALA A 60 12.402 -13.417 2.237 1.00 72.40 O ATOM 986 CB ALA A 60 13.143 -11.111 0.938 1.00 30.31 C ATOM 0 H ALA A 60 11.452 -11.663 -1.632 1.00 4.32 H new ATOM 0 HA ALA A 60 13.153 -12.641 -0.577 1.00 50.34 H new ATOM 0 HB1 ALA A 60 13.977 -11.534 1.498 1.00 30.31 H new ATOM 0 HB2 ALA A 60 13.515 -10.348 0.255 1.00 30.31 H new ATOM 0 HB3 ALA A 60 12.432 -10.662 1.631 1.00 30.31 H new ATOM 992 N LYS A 61 11.204 -14.292 0.532 1.00 2.30 N ATOM 993 CA LYS A 61 10.700 -15.465 1.283 1.00 70.13 C ATOM 994 C LYS A 61 9.625 -15.090 2.326 1.00 73.32 C ATOM 995 O LYS A 61 9.059 -15.967 2.980 1.00 33.42 O ATOM 996 CB LYS A 61 11.853 -16.225 1.974 1.00 43.03 C ATOM 997 CG LYS A 61 12.842 -16.877 1.010 1.00 32.23 C ATOM 998 CD LYS A 61 12.224 -18.060 0.263 1.00 52.20 C ATOM 999 CE LYS A 61 11.842 -19.199 1.204 1.00 10.05 C ATOM 1000 NZ LYS A 61 11.309 -20.377 0.465 1.00 2.34 N ATOM 0 H LYS A 61 10.876 -14.252 -0.433 1.00 2.30 H new ATOM 0 HA LYS A 61 10.232 -16.116 0.544 1.00 70.13 H new ATOM 0 HB2 LYS A 61 12.394 -15.532 2.618 1.00 43.03 H new ATOM 0 HB3 LYS A 61 11.430 -16.996 2.619 1.00 43.03 H new ATOM 0 HG2 LYS A 61 13.188 -16.135 0.290 1.00 32.23 H new ATOM 0 HG3 LYS A 61 13.717 -17.216 1.564 1.00 32.23 H new ATOM 0 HD2 LYS A 61 11.339 -17.724 -0.277 1.00 52.20 H new ATOM 0 HD3 LYS A 61 12.931 -18.427 -0.481 1.00 52.20 H new ATOM 0 HE2 LYS A 61 12.715 -19.499 1.783 1.00 10.05 H new ATOM 0 HE3 LYS A 61 11.094 -18.847 1.914 1.00 10.05 H new ATOM 0 HZ1 LYS A 61 11.062 -21.128 1.141 1.00 2.34 H new ATOM 0 HZ2 LYS A 61 10.461 -20.098 -0.068 1.00 2.34 H new ATOM 0 HZ3 LYS A 61 12.032 -20.729 -0.195 1.00 2.34 H new ATOM 1014 N GLN A 62 9.334 -13.800 2.468 1.00 61.24 N ATOM 1015 CA GLN A 62 8.291 -13.336 3.393 1.00 61.42 C ATOM 1016 C GLN A 62 7.024 -12.920 2.638 1.00 71.41 C ATOM 1017 O GLN A 62 7.092 -12.242 1.612 1.00 22.41 O ATOM 1018 CB GLN A 62 8.799 -12.150 4.236 1.00 1.01 C ATOM 1019 CG GLN A 62 7.691 -11.366 4.952 1.00 70.13 C ATOM 1020 CD GLN A 62 7.014 -12.138 6.079 1.00 62.33 C ATOM 1021 OE1 GLN A 62 6.995 -13.363 6.099 1.00 20.23 O ATOM 1022 NE2 GLN A 62 6.413 -11.419 7.005 1.00 13.02 N ATOM 0 H GLN A 62 9.803 -13.053 1.956 1.00 61.24 H new ATOM 0 HA GLN A 62 8.047 -14.168 4.053 1.00 61.42 H new ATOM 0 HB2 GLN A 62 9.503 -12.523 4.980 1.00 1.01 H new ATOM 0 HB3 GLN A 62 9.350 -11.468 3.588 1.00 1.01 H new ATOM 0 HG2 GLN A 62 8.114 -10.447 5.358 1.00 70.13 H new ATOM 0 HG3 GLN A 62 6.937 -11.074 4.221 1.00 70.13 H new ATOM 0 HE21 GLN A 62 6.446 -10.400 6.961 1.00 13.02 H new ATOM 0 HE22 GLN A 62 5.914 -11.881 7.766 1.00 13.02 H new ATOM 1031 N VAL A 63 5.871 -13.332 3.148 1.00 62.31 N ATOM 1032 CA VAL A 63 4.593 -12.863 2.616 1.00 73.30 C ATOM 1033 C VAL A 63 4.427 -11.358 2.886 1.00 60.42 C ATOM 1034 O VAL A 63 4.628 -10.893 4.009 1.00 45.24 O ATOM 1035 CB VAL A 63 3.403 -13.649 3.224 1.00 72.11 C ATOM 1036 CG1 VAL A 63 3.366 -13.499 4.747 1.00 23.20 C ATOM 1037 CG2 VAL A 63 2.080 -13.211 2.594 1.00 25.02 C ATOM 0 H VAL A 63 5.791 -13.987 3.926 1.00 62.31 H new ATOM 0 HA VAL A 63 4.594 -13.037 1.540 1.00 73.30 H new ATOM 0 HB VAL A 63 3.547 -14.705 2.998 1.00 72.11 H new ATOM 0 HG11 VAL A 63 2.522 -14.060 5.147 1.00 23.20 H new ATOM 0 HG12 VAL A 63 4.292 -13.884 5.173 1.00 23.20 H new ATOM 0 HG13 VAL A 63 3.257 -12.446 5.006 1.00 23.20 H new ATOM 0 HG21 VAL A 63 1.261 -13.777 3.037 1.00 25.02 H new ATOM 0 HG22 VAL A 63 1.926 -12.147 2.775 1.00 25.02 H new ATOM 0 HG23 VAL A 63 2.109 -13.396 1.520 1.00 25.02 H new ATOM 1047 N LEU A 64 4.084 -10.594 1.855 1.00 73.31 N ATOM 1048 CA LEU A 64 3.963 -9.144 2.002 1.00 22.31 C ATOM 1049 C LEU A 64 2.750 -8.776 2.872 1.00 1.30 C ATOM 1050 O LEU A 64 1.605 -8.826 2.413 1.00 14.23 O ATOM 1051 CB LEU A 64 3.861 -8.466 0.626 1.00 73.43 C ATOM 1052 CG LEU A 64 3.852 -6.926 0.651 1.00 55.41 C ATOM 1053 CD1 LEU A 64 5.132 -6.382 1.284 1.00 73.34 C ATOM 1054 CD2 LEU A 64 3.674 -6.366 -0.758 1.00 11.14 C ATOM 0 H LEU A 64 3.886 -10.946 0.918 1.00 73.31 H new ATOM 0 HA LEU A 64 4.862 -8.782 2.502 1.00 22.31 H new ATOM 0 HB2 LEU A 64 4.698 -8.798 0.012 1.00 73.43 H new ATOM 0 HB3 LEU A 64 2.950 -8.811 0.136 1.00 73.43 H new ATOM 0 HG LEU A 64 3.008 -6.604 1.261 1.00 55.41 H new ATOM 0 HD11 LEU A 64 5.101 -5.292 1.289 1.00 73.34 H new ATOM 0 HD12 LEU A 64 5.216 -6.748 2.307 1.00 73.34 H new ATOM 0 HD13 LEU A 64 5.994 -6.717 0.707 1.00 73.34 H new ATOM 0 HD21 LEU A 64 3.670 -5.277 -0.719 1.00 11.14 H new ATOM 0 HD22 LEU A 64 4.495 -6.704 -1.390 1.00 11.14 H new ATOM 0 HD23 LEU A 64 2.729 -6.717 -1.172 1.00 11.14 H new ATOM 1066 N ASP A 65 3.010 -8.439 4.137 1.00 74.32 N ATOM 1067 CA ASP A 65 1.955 -8.021 5.064 1.00 34.23 C ATOM 1068 C ASP A 65 1.190 -6.795 4.531 1.00 63.44 C ATOM 1069 O ASP A 65 1.498 -5.661 4.892 1.00 43.25 O ATOM 1070 CB ASP A 65 2.553 -7.682 6.438 1.00 60.45 C ATOM 1071 CG ASP A 65 3.372 -8.810 7.039 1.00 2.10 C ATOM 1072 OD1 ASP A 65 2.797 -9.640 7.772 1.00 73.21 O ATOM 1073 OD2 ASP A 65 4.598 -8.846 6.810 1.00 51.42 O ATOM 0 H ASP A 65 3.945 -8.447 4.544 1.00 74.32 H new ATOM 0 HA ASP A 65 1.258 -8.853 5.160 1.00 34.23 H new ATOM 0 HB2 ASP A 65 3.183 -6.798 6.343 1.00 60.45 H new ATOM 0 HB3 ASP A 65 1.745 -7.426 7.123 1.00 60.45 H new ATOM 1078 N LEU A 66 0.202 -7.027 3.662 1.00 72.12 N ATOM 1079 CA LEU A 66 -0.613 -5.938 3.097 1.00 54.35 C ATOM 1080 C LEU A 66 -1.203 -5.040 4.199 1.00 42.31 C ATOM 1081 O LEU A 66 -1.300 -3.821 4.041 1.00 63.13 O ATOM 1082 CB LEU A 66 -1.738 -6.512 2.220 1.00 73.14 C ATOM 1083 CG LEU A 66 -1.269 -7.316 0.993 1.00 65.44 C ATOM 1084 CD1 LEU A 66 -2.462 -7.855 0.205 1.00 34.12 C ATOM 1085 CD2 LEU A 66 -0.372 -6.462 0.097 1.00 23.00 C ATOM 0 H LEU A 66 -0.056 -7.957 3.332 1.00 72.12 H new ATOM 0 HA LEU A 66 0.041 -5.322 2.481 1.00 54.35 H new ATOM 0 HB2 LEU A 66 -2.366 -7.155 2.837 1.00 73.14 H new ATOM 0 HB3 LEU A 66 -2.365 -5.689 1.877 1.00 73.14 H new ATOM 0 HG LEU A 66 -0.687 -8.166 1.349 1.00 65.44 H new ATOM 0 HD11 LEU A 66 -2.104 -8.419 -0.656 1.00 34.12 H new ATOM 0 HD12 LEU A 66 -3.056 -8.508 0.845 1.00 34.12 H new ATOM 0 HD13 LEU A 66 -3.078 -7.023 -0.136 1.00 34.12 H new ATOM 0 HD21 LEU A 66 -0.052 -7.050 -0.764 1.00 23.00 H new ATOM 0 HD22 LEU A 66 -0.926 -5.588 -0.246 1.00 23.00 H new ATOM 0 HD23 LEU A 66 0.503 -6.138 0.661 1.00 23.00 H new ATOM 1097 N PHE A 67 -1.584 -5.656 5.319 1.00 13.30 N ATOM 1098 CA PHE A 67 -2.078 -4.921 6.493 1.00 1.24 C ATOM 1099 C PHE A 67 -1.051 -3.875 6.967 1.00 30.34 C ATOM 1100 O PHE A 67 -1.373 -2.698 7.149 1.00 2.25 O ATOM 1101 CB PHE A 67 -2.382 -5.920 7.625 1.00 25.32 C ATOM 1102 CG PHE A 67 -2.811 -5.285 8.929 1.00 24.12 C ATOM 1103 CD1 PHE A 67 -4.136 -4.934 9.145 1.00 51.44 C ATOM 1104 CD2 PHE A 67 -1.890 -5.051 9.941 1.00 20.14 C ATOM 1105 CE1 PHE A 67 -4.534 -4.365 10.338 1.00 55.01 C ATOM 1106 CE2 PHE A 67 -2.282 -4.480 11.137 1.00 31.23 C ATOM 1107 CZ PHE A 67 -3.605 -4.137 11.336 1.00 25.04 C ATOM 0 H PHE A 67 -1.561 -6.668 5.442 1.00 13.30 H new ATOM 0 HA PHE A 67 -2.989 -4.390 6.217 1.00 1.24 H new ATOM 0 HB2 PHE A 67 -3.167 -6.599 7.291 1.00 25.32 H new ATOM 0 HB3 PHE A 67 -1.493 -6.525 7.806 1.00 25.32 H new ATOM 0 HD1 PHE A 67 -4.866 -5.108 8.369 1.00 51.44 H new ATOM 0 HD2 PHE A 67 -0.854 -5.318 9.792 1.00 20.14 H new ATOM 0 HE1 PHE A 67 -5.569 -4.098 10.491 1.00 55.01 H new ATOM 0 HE2 PHE A 67 -1.555 -4.302 11.915 1.00 31.23 H new ATOM 0 HZ PHE A 67 -3.913 -3.691 12.270 1.00 25.04 H new ATOM 1117 N MET A 68 0.195 -4.315 7.139 1.00 11.43 N ATOM 1118 CA MET A 68 1.270 -3.433 7.606 1.00 74.22 C ATOM 1119 C MET A 68 1.697 -2.451 6.509 1.00 30.41 C ATOM 1120 O MET A 68 1.988 -1.292 6.784 1.00 33.04 O ATOM 1121 CB MET A 68 2.476 -4.262 8.063 1.00 1.21 C ATOM 1122 CG MET A 68 2.155 -5.256 9.167 1.00 52.51 C ATOM 1123 SD MET A 68 1.554 -4.461 10.671 1.00 75.45 S ATOM 1124 CE MET A 68 2.973 -3.462 11.125 1.00 62.05 C ATOM 0 H MET A 68 0.487 -5.276 6.963 1.00 11.43 H new ATOM 0 HA MET A 68 0.889 -2.858 8.450 1.00 74.22 H new ATOM 0 HB2 MET A 68 2.879 -4.802 7.206 1.00 1.21 H new ATOM 0 HB3 MET A 68 3.258 -3.587 8.411 1.00 1.21 H new ATOM 0 HG2 MET A 68 1.404 -5.960 8.809 1.00 52.51 H new ATOM 0 HG3 MET A 68 3.049 -5.835 9.400 1.00 52.51 H new ATOM 0 HE1 MET A 68 2.891 -3.168 12.171 1.00 62.05 H new ATOM 0 HE2 MET A 68 3.886 -4.040 10.980 1.00 62.05 H new ATOM 0 HE3 MET A 68 3.005 -2.570 10.499 1.00 62.05 H new ATOM 1134 N LEU A 69 1.723 -2.926 5.267 1.00 31.14 N ATOM 1135 CA LEU A 69 2.060 -2.086 4.112 1.00 21.52 C ATOM 1136 C LEU A 69 1.169 -0.834 4.075 1.00 54.31 C ATOM 1137 O LEU A 69 1.652 0.285 3.887 1.00 31.03 O ATOM 1138 CB LEU A 69 1.892 -2.893 2.812 1.00 71.41 C ATOM 1139 CG LEU A 69 2.451 -2.233 1.539 1.00 71.33 C ATOM 1140 CD1 LEU A 69 3.968 -2.108 1.621 1.00 54.25 C ATOM 1141 CD2 LEU A 69 2.038 -3.024 0.298 1.00 35.40 C ATOM 0 H LEU A 69 1.514 -3.896 5.029 1.00 31.14 H new ATOM 0 HA LEU A 69 3.098 -1.767 4.204 1.00 21.52 H new ATOM 0 HB2 LEU A 69 2.378 -3.860 2.941 1.00 71.41 H new ATOM 0 HB3 LEU A 69 0.830 -3.088 2.662 1.00 71.41 H new ATOM 0 HG LEU A 69 2.031 -1.230 1.459 1.00 71.33 H new ATOM 0 HD11 LEU A 69 4.344 -1.639 0.712 1.00 54.25 H new ATOM 0 HD12 LEU A 69 4.237 -1.497 2.482 1.00 54.25 H new ATOM 0 HD13 LEU A 69 4.409 -3.099 1.728 1.00 54.25 H new ATOM 0 HD21 LEU A 69 2.443 -2.542 -0.592 1.00 35.40 H new ATOM 0 HD22 LEU A 69 2.426 -4.040 0.368 1.00 35.40 H new ATOM 0 HD23 LEU A 69 0.950 -3.055 0.231 1.00 35.40 H new ATOM 1153 N TYR A 70 -0.132 -1.037 4.280 1.00 44.03 N ATOM 1154 CA TYR A 70 -1.093 0.068 4.346 1.00 51.15 C ATOM 1155 C TYR A 70 -0.756 1.033 5.497 1.00 13.30 C ATOM 1156 O TYR A 70 -0.723 2.252 5.310 1.00 10.21 O ATOM 1157 CB TYR A 70 -2.516 -0.485 4.517 1.00 64.25 C ATOM 1158 CG TYR A 70 -3.594 0.585 4.531 1.00 41.45 C ATOM 1159 CD1 TYR A 70 -3.927 1.278 3.371 1.00 12.14 C ATOM 1160 CD2 TYR A 70 -4.277 0.905 5.701 1.00 64.43 C ATOM 1161 CE1 TYR A 70 -4.904 2.253 3.378 1.00 53.42 C ATOM 1162 CE2 TYR A 70 -5.257 1.879 5.714 1.00 35.22 C ATOM 1163 CZ TYR A 70 -5.566 2.550 4.551 1.00 41.53 C ATOM 1164 OH TYR A 70 -6.541 3.522 4.562 1.00 31.32 O ATOM 0 H TYR A 70 -0.548 -1.960 4.404 1.00 44.03 H new ATOM 0 HA TYR A 70 -1.034 0.627 3.412 1.00 51.15 H new ATOM 0 HB2 TYR A 70 -2.723 -1.185 3.708 1.00 64.25 H new ATOM 0 HB3 TYR A 70 -2.566 -1.050 5.448 1.00 64.25 H new ATOM 0 HD1 TYR A 70 -3.412 1.049 2.450 1.00 12.14 H new ATOM 0 HD2 TYR A 70 -4.037 0.383 6.615 1.00 64.43 H new ATOM 0 HE1 TYR A 70 -5.149 2.781 2.468 1.00 53.42 H new ATOM 0 HE2 TYR A 70 -5.778 2.113 6.631 1.00 35.22 H new ATOM 0 HH TYR A 70 -6.908 3.607 5.467 1.00 31.32 H new ATOM 1174 N VAL A 71 -0.504 0.480 6.684 1.00 4.11 N ATOM 1175 CA VAL A 71 -0.136 1.295 7.852 1.00 30.41 C ATOM 1176 C VAL A 71 1.122 2.145 7.579 1.00 25.52 C ATOM 1177 O VAL A 71 1.082 3.373 7.666 1.00 73.52 O ATOM 1178 CB VAL A 71 0.115 0.408 9.100 1.00 11.43 C ATOM 1179 CG1 VAL A 71 0.490 1.261 10.314 1.00 4.23 C ATOM 1180 CG2 VAL A 71 -1.108 -0.455 9.400 1.00 34.42 C ATOM 0 H VAL A 71 -0.546 -0.523 6.866 1.00 4.11 H new ATOM 0 HA VAL A 71 -0.978 1.960 8.045 1.00 30.41 H new ATOM 0 HB VAL A 71 0.955 -0.252 8.883 1.00 11.43 H new ATOM 0 HG11 VAL A 71 0.660 0.614 11.175 1.00 4.23 H new ATOM 0 HG12 VAL A 71 1.398 1.823 10.097 1.00 4.23 H new ATOM 0 HG13 VAL A 71 -0.321 1.954 10.536 1.00 4.23 H new ATOM 0 HG21 VAL A 71 -0.913 -1.070 10.278 1.00 34.42 H new ATOM 0 HG22 VAL A 71 -1.968 0.187 9.590 1.00 34.42 H new ATOM 0 HG23 VAL A 71 -1.317 -1.099 8.546 1.00 34.42 H new ATOM 1190 N LEU A 72 2.217 1.478 7.205 1.00 12.00 N ATOM 1191 CA LEU A 72 3.516 2.137 6.987 1.00 2.14 C ATOM 1192 C LEU A 72 3.452 3.245 5.921 1.00 33.12 C ATOM 1193 O LEU A 72 4.088 4.287 6.068 1.00 12.13 O ATOM 1194 CB LEU A 72 4.588 1.096 6.605 1.00 64.02 C ATOM 1195 CG LEU A 72 5.289 0.390 7.783 1.00 45.34 C ATOM 1196 CD1 LEU A 72 6.085 1.394 8.616 1.00 44.21 C ATOM 1197 CD2 LEU A 72 4.284 -0.362 8.657 1.00 15.15 C ATOM 0 H LEU A 72 2.233 0.471 7.044 1.00 12.00 H new ATOM 0 HA LEU A 72 3.787 2.615 7.928 1.00 2.14 H new ATOM 0 HB2 LEU A 72 4.122 0.337 5.976 1.00 64.02 H new ATOM 0 HB3 LEU A 72 5.347 1.590 5.999 1.00 64.02 H new ATOM 0 HG LEU A 72 5.983 -0.342 7.369 1.00 45.34 H new ATOM 0 HD11 LEU A 72 6.572 0.876 9.442 1.00 44.21 H new ATOM 0 HD12 LEU A 72 6.840 1.869 7.990 1.00 44.21 H new ATOM 0 HD13 LEU A 72 5.411 2.154 9.011 1.00 44.21 H new ATOM 0 HD21 LEU A 72 4.809 -0.849 9.479 1.00 15.15 H new ATOM 0 HD22 LEU A 72 3.554 0.341 9.059 1.00 15.15 H new ATOM 0 HD23 LEU A 72 3.772 -1.114 8.057 1.00 15.15 H new ATOM 1209 N VAL A 73 2.702 3.025 4.846 1.00 15.33 N ATOM 1210 CA VAL A 73 2.595 4.029 3.781 1.00 4.13 C ATOM 1211 C VAL A 73 1.705 5.216 4.196 1.00 62.41 C ATOM 1212 O VAL A 73 2.082 6.379 4.020 1.00 31.21 O ATOM 1213 CB VAL A 73 2.057 3.407 2.467 1.00 25.21 C ATOM 1214 CG1 VAL A 73 1.876 4.478 1.389 1.00 4.42 C ATOM 1215 CG2 VAL A 73 2.993 2.302 1.975 1.00 33.41 C ATOM 0 H VAL A 73 2.164 2.174 4.685 1.00 15.33 H new ATOM 0 HA VAL A 73 3.604 4.402 3.606 1.00 4.13 H new ATOM 0 HB VAL A 73 1.081 2.968 2.674 1.00 25.21 H new ATOM 0 HG11 VAL A 73 1.498 4.016 0.477 1.00 4.42 H new ATOM 0 HG12 VAL A 73 1.166 5.228 1.737 1.00 4.42 H new ATOM 0 HG13 VAL A 73 2.835 4.954 1.184 1.00 4.42 H new ATOM 0 HG21 VAL A 73 2.600 1.876 1.052 1.00 33.41 H new ATOM 0 HG22 VAL A 73 3.983 2.719 1.790 1.00 33.41 H new ATOM 0 HG23 VAL A 73 3.064 1.522 2.733 1.00 33.41 H new ATOM 1225 N THR A 74 0.534 4.929 4.765 1.00 12.24 N ATOM 1226 CA THR A 74 -0.410 5.993 5.154 1.00 13.35 C ATOM 1227 C THR A 74 0.113 6.849 6.320 1.00 0.41 C ATOM 1228 O THR A 74 -0.135 8.058 6.362 1.00 25.41 O ATOM 1229 CB THR A 74 -1.808 5.441 5.526 1.00 42.12 C ATOM 1230 OG1 THR A 74 -1.721 4.538 6.641 1.00 54.44 O ATOM 1231 CG2 THR A 74 -2.448 4.729 4.337 1.00 61.31 C ATOM 0 H THR A 74 0.213 3.982 4.968 1.00 12.24 H new ATOM 0 HA THR A 74 -0.503 6.622 4.268 1.00 13.35 H new ATOM 0 HB THR A 74 -2.433 6.289 5.806 1.00 42.12 H new ATOM 0 HG1 THR A 74 -1.366 3.676 6.337 1.00 54.44 H new ATOM 0 HG21 THR A 74 -3.429 4.351 4.624 1.00 61.31 H new ATOM 0 HG22 THR A 74 -2.558 5.430 3.509 1.00 61.31 H new ATOM 0 HG23 THR A 74 -1.815 3.898 4.027 1.00 61.31 H new ATOM 1239 N GLU A 75 0.843 6.237 7.259 1.00 22.01 N ATOM 1240 CA GLU A 75 1.414 6.980 8.396 1.00 14.44 C ATOM 1241 C GLU A 75 2.422 8.040 7.919 1.00 31.32 C ATOM 1242 O GLU A 75 2.608 9.070 8.566 1.00 12.41 O ATOM 1243 CB GLU A 75 2.103 6.030 9.395 1.00 64.22 C ATOM 1244 CG GLU A 75 3.344 5.334 8.841 1.00 32.31 C ATOM 1245 CD GLU A 75 4.134 4.582 9.903 1.00 72.32 C ATOM 1246 OE1 GLU A 75 3.677 3.509 10.347 1.00 50.04 O ATOM 1247 OE2 GLU A 75 5.216 5.068 10.306 1.00 42.43 O ATOM 0 H GLU A 75 1.053 5.239 7.258 1.00 22.01 H new ATOM 0 HA GLU A 75 0.586 7.480 8.898 1.00 14.44 H new ATOM 0 HB2 GLU A 75 2.383 6.596 10.283 1.00 64.22 H new ATOM 0 HB3 GLU A 75 1.386 5.273 9.713 1.00 64.22 H new ATOM 0 HG2 GLU A 75 3.043 4.636 8.059 1.00 32.31 H new ATOM 0 HG3 GLU A 75 3.991 6.076 8.374 1.00 32.31 H new ATOM 1254 N LYS A 76 3.071 7.779 6.783 1.00 3.02 N ATOM 1255 CA LYS A 76 4.062 8.706 6.222 1.00 30.13 C ATOM 1256 C LYS A 76 3.395 9.841 5.421 1.00 31.42 C ATOM 1257 O LYS A 76 4.068 10.774 4.986 1.00 50.05 O ATOM 1258 CB LYS A 76 5.053 7.950 5.323 1.00 34.51 C ATOM 1259 CG LYS A 76 5.802 6.815 6.024 1.00 51.11 C ATOM 1260 CD LYS A 76 6.714 7.316 7.144 1.00 61.25 C ATOM 1261 CE LYS A 76 7.447 6.161 7.824 1.00 50.01 C ATOM 1262 NZ LYS A 76 8.408 6.627 8.862 1.00 64.41 N ATOM 0 H LYS A 76 2.930 6.933 6.231 1.00 3.02 H new ATOM 0 HA LYS A 76 4.598 9.154 7.059 1.00 30.13 H new ATOM 0 HB2 LYS A 76 4.512 7.540 4.471 1.00 34.51 H new ATOM 0 HB3 LYS A 76 5.780 8.659 4.928 1.00 34.51 H new ATOM 0 HG2 LYS A 76 5.081 6.109 6.436 1.00 51.11 H new ATOM 0 HG3 LYS A 76 6.398 6.271 5.291 1.00 51.11 H new ATOM 0 HD2 LYS A 76 7.440 8.020 6.737 1.00 61.25 H new ATOM 0 HD3 LYS A 76 6.123 7.858 7.882 1.00 61.25 H new ATOM 0 HE2 LYS A 76 6.718 5.492 8.282 1.00 50.01 H new ATOM 0 HE3 LYS A 76 7.982 5.582 7.072 1.00 50.01 H new ATOM 0 HZ1 LYS A 76 9.365 6.300 8.621 1.00 64.41 H new ATOM 0 HZ2 LYS A 76 8.397 7.666 8.903 1.00 64.41 H new ATOM 0 HZ3 LYS A 76 8.133 6.241 9.788 1.00 64.41 H new ATOM 1276 N GLY A 77 2.076 9.761 5.230 1.00 2.13 N ATOM 1277 CA GLY A 77 1.358 10.803 4.492 1.00 14.33 C ATOM 1278 C GLY A 77 0.671 10.307 3.221 1.00 64.33 C ATOM 1279 O GLY A 77 0.146 11.107 2.443 1.00 23.42 O ATOM 0 H GLY A 77 1.491 8.998 5.570 1.00 2.13 H new ATOM 0 HA2 GLY A 77 0.609 11.247 5.148 1.00 14.33 H new ATOM 0 HA3 GLY A 77 2.059 11.595 4.228 1.00 14.33 H new ATOM 1283 N GLY A 78 0.674 8.993 3.000 1.00 31.31 N ATOM 1284 CA GLY A 78 -0.016 8.421 1.844 1.00 32.53 C ATOM 1285 C GLY A 78 0.925 8.031 0.709 1.00 34.31 C ATOM 1286 O GLY A 78 2.085 8.447 0.684 1.00 23.54 O ATOM 0 H GLY A 78 1.141 8.311 3.598 1.00 31.31 H new ATOM 0 HA2 GLY A 78 -0.574 7.540 2.162 1.00 32.53 H new ATOM 0 HA3 GLY A 78 -0.744 9.142 1.471 1.00 32.53 H new ATOM 1290 N LEU A 79 0.413 7.243 -0.239 1.00 1.31 N ATOM 1291 CA LEU A 79 1.208 6.728 -1.367 1.00 14.33 C ATOM 1292 C LEU A 79 2.079 7.815 -2.029 1.00 61.33 C ATOM 1293 O LEU A 79 3.301 7.679 -2.111 1.00 71.23 O ATOM 1294 CB LEU A 79 0.276 6.090 -2.411 1.00 54.32 C ATOM 1295 CG LEU A 79 0.967 5.503 -3.657 1.00 71.25 C ATOM 1296 CD1 LEU A 79 2.017 4.465 -3.264 1.00 2.43 C ATOM 1297 CD2 LEU A 79 -0.066 4.893 -4.606 1.00 62.34 C ATOM 0 H LEU A 79 -0.561 6.942 -0.251 1.00 1.31 H new ATOM 0 HA LEU A 79 1.889 5.978 -0.966 1.00 14.33 H new ATOM 0 HB2 LEU A 79 -0.292 5.296 -1.926 1.00 54.32 H new ATOM 0 HB3 LEU A 79 -0.442 6.842 -2.737 1.00 54.32 H new ATOM 0 HG LEU A 79 1.476 6.315 -4.176 1.00 71.25 H new ATOM 0 HD11 LEU A 79 2.489 4.067 -4.162 1.00 2.43 H new ATOM 0 HD12 LEU A 79 2.773 4.933 -2.634 1.00 2.43 H new ATOM 0 HD13 LEU A 79 1.539 3.654 -2.715 1.00 2.43 H new ATOM 0 HD21 LEU A 79 0.440 4.483 -5.480 1.00 62.34 H new ATOM 0 HD22 LEU A 79 -0.606 4.097 -4.093 1.00 62.34 H new ATOM 0 HD23 LEU A 79 -0.769 5.663 -4.922 1.00 62.34 H new ATOM 1309 N VAL A 80 1.448 8.891 -2.491 1.00 74.20 N ATOM 1310 CA VAL A 80 2.160 9.960 -3.209 1.00 62.53 C ATOM 1311 C VAL A 80 3.249 10.620 -2.345 1.00 51.42 C ATOM 1312 O VAL A 80 4.378 10.810 -2.802 1.00 31.04 O ATOM 1313 CB VAL A 80 1.180 11.043 -3.718 1.00 73.41 C ATOM 1314 CG1 VAL A 80 1.926 12.154 -4.461 1.00 41.05 C ATOM 1315 CG2 VAL A 80 0.118 10.407 -4.611 1.00 62.43 C ATOM 0 H VAL A 80 0.446 9.052 -2.384 1.00 74.20 H new ATOM 0 HA VAL A 80 2.645 9.484 -4.061 1.00 62.53 H new ATOM 0 HB VAL A 80 0.687 11.496 -2.858 1.00 73.41 H new ATOM 0 HG11 VAL A 80 1.213 12.902 -4.808 1.00 41.05 H new ATOM 0 HG12 VAL A 80 2.645 12.622 -3.789 1.00 41.05 H new ATOM 0 HG13 VAL A 80 2.452 11.730 -5.316 1.00 41.05 H new ATOM 0 HG21 VAL A 80 -0.568 11.176 -4.965 1.00 62.43 H new ATOM 0 HG22 VAL A 80 0.599 9.929 -5.464 1.00 62.43 H new ATOM 0 HG23 VAL A 80 -0.436 9.661 -4.042 1.00 62.43 H new ATOM 1325 N GLU A 81 2.911 10.959 -1.102 1.00 10.13 N ATOM 1326 CA GLU A 81 3.881 11.559 -0.177 1.00 33.41 C ATOM 1327 C GLU A 81 5.115 10.655 -0.022 1.00 61.14 C ATOM 1328 O GLU A 81 6.250 11.123 -0.046 1.00 13.25 O ATOM 1329 CB GLU A 81 3.235 11.807 1.194 1.00 41.12 C ATOM 1330 CG GLU A 81 4.148 12.512 2.202 1.00 42.22 C ATOM 1331 CD GLU A 81 4.336 13.998 1.914 1.00 73.23 C ATOM 1332 OE1 GLU A 81 5.022 14.345 0.931 1.00 63.42 O ATOM 1333 OE2 GLU A 81 3.807 14.833 2.682 1.00 53.24 O ATOM 0 H GLU A 81 1.978 10.831 -0.710 1.00 10.13 H new ATOM 0 HA GLU A 81 4.200 12.515 -0.593 1.00 33.41 H new ATOM 0 HB2 GLU A 81 2.335 12.406 1.056 1.00 41.12 H new ATOM 0 HB3 GLU A 81 2.920 10.851 1.613 1.00 41.12 H new ATOM 0 HG2 GLU A 81 3.732 12.393 3.202 1.00 42.22 H new ATOM 0 HG3 GLU A 81 5.122 12.023 2.202 1.00 42.22 H new ATOM 1340 N VAL A 82 4.878 9.351 0.120 1.00 12.31 N ATOM 1341 CA VAL A 82 5.964 8.367 0.216 1.00 2.24 C ATOM 1342 C VAL A 82 6.814 8.340 -1.068 1.00 52.31 C ATOM 1343 O VAL A 82 8.048 8.279 -1.013 1.00 72.44 O ATOM 1344 CB VAL A 82 5.407 6.947 0.499 1.00 12.24 C ATOM 1345 CG1 VAL A 82 6.525 5.905 0.541 1.00 3.24 C ATOM 1346 CG2 VAL A 82 4.617 6.935 1.806 1.00 5.41 C ATOM 0 H VAL A 82 3.943 8.948 0.172 1.00 12.31 H new ATOM 0 HA VAL A 82 6.599 8.672 1.048 1.00 2.24 H new ATOM 0 HB VAL A 82 4.738 6.683 -0.320 1.00 12.24 H new ATOM 0 HG11 VAL A 82 6.099 4.922 0.741 1.00 3.24 H new ATOM 0 HG12 VAL A 82 7.042 5.888 -0.418 1.00 3.24 H new ATOM 0 HG13 VAL A 82 7.232 6.162 1.330 1.00 3.24 H new ATOM 0 HG21 VAL A 82 4.233 5.932 1.990 1.00 5.41 H new ATOM 0 HG22 VAL A 82 5.269 7.230 2.628 1.00 5.41 H new ATOM 0 HG23 VAL A 82 3.784 7.635 1.734 1.00 5.41 H new ATOM 1356 N ILE A 83 6.146 8.398 -2.221 1.00 3.01 N ATOM 1357 CA ILE A 83 6.827 8.396 -3.523 1.00 45.05 C ATOM 1358 C ILE A 83 7.691 9.657 -3.718 1.00 14.41 C ATOM 1359 O ILE A 83 8.763 9.593 -4.319 1.00 52.43 O ATOM 1360 CB ILE A 83 5.807 8.280 -4.689 1.00 15.32 C ATOM 1361 CG1 ILE A 83 5.001 6.977 -4.570 1.00 65.42 C ATOM 1362 CG2 ILE A 83 6.512 8.349 -6.045 1.00 4.53 C ATOM 1363 CD1 ILE A 83 3.922 6.827 -5.623 1.00 1.31 C ATOM 0 H ILE A 83 5.129 8.447 -2.283 1.00 3.01 H new ATOM 0 HA ILE A 83 7.481 7.524 -3.534 1.00 45.05 H new ATOM 0 HB ILE A 83 5.120 9.124 -4.621 1.00 15.32 H new ATOM 0 HG12 ILE A 83 5.684 6.131 -4.640 1.00 65.42 H new ATOM 0 HG13 ILE A 83 4.541 6.934 -3.583 1.00 65.42 H new ATOM 0 HG21 ILE A 83 5.774 8.265 -6.843 1.00 4.53 H new ATOM 0 HG22 ILE A 83 7.037 9.300 -6.134 1.00 4.53 H new ATOM 0 HG23 ILE A 83 7.228 7.531 -6.125 1.00 4.53 H new ATOM 0 HD11 ILE A 83 3.397 5.884 -5.474 1.00 1.31 H new ATOM 0 HD12 ILE A 83 3.215 7.653 -5.540 1.00 1.31 H new ATOM 0 HD13 ILE A 83 4.377 6.836 -6.614 1.00 1.31 H new ATOM 1375 N ASN A 84 7.216 10.795 -3.209 1.00 10.42 N ATOM 1376 CA ASN A 84 7.951 12.068 -3.309 1.00 22.04 C ATOM 1377 C ASN A 84 9.017 12.215 -2.202 1.00 71.14 C ATOM 1378 O ASN A 84 10.037 12.876 -2.397 1.00 35.12 O ATOM 1379 CB ASN A 84 6.969 13.247 -3.268 1.00 51.51 C ATOM 1380 CG ASN A 84 6.134 13.344 -4.536 1.00 30.43 C ATOM 1381 OD1 ASN A 84 6.591 13.016 -5.626 1.00 64.40 O ATOM 1382 ND2 ASN A 84 4.905 13.804 -4.409 1.00 55.40 N ATOM 0 H ASN A 84 6.323 10.866 -2.721 1.00 10.42 H new ATOM 0 HA ASN A 84 8.478 12.069 -4.263 1.00 22.04 H new ATOM 0 HB2 ASN A 84 6.309 13.138 -2.408 1.00 51.51 H new ATOM 0 HB3 ASN A 84 7.524 14.175 -3.128 1.00 51.51 H new ATOM 0 HD21 ASN A 84 4.307 13.895 -5.230 1.00 55.40 H new ATOM 0 HD22 ASN A 84 4.552 14.069 -3.489 1.00 55.40 H new ATOM 1389 N LYS A 85 8.775 11.604 -1.043 1.00 43.23 N ATOM 1390 CA LYS A 85 9.768 11.589 0.045 1.00 53.41 C ATOM 1391 C LYS A 85 10.848 10.520 -0.203 1.00 0.24 C ATOM 1392 O LYS A 85 11.892 10.515 0.448 1.00 3.13 O ATOM 1393 CB LYS A 85 9.080 11.348 1.402 1.00 64.34 C ATOM 1394 CG LYS A 85 8.269 12.539 1.929 1.00 13.54 C ATOM 1395 CD LYS A 85 9.090 13.461 2.843 1.00 70.01 C ATOM 1396 CE LYS A 85 10.275 14.108 2.129 1.00 22.11 C ATOM 1397 NZ LYS A 85 11.063 14.991 3.033 1.00 53.23 N ATOM 0 H LYS A 85 7.907 11.114 -0.828 1.00 43.23 H new ATOM 0 HA LYS A 85 10.254 12.564 0.067 1.00 53.41 H new ATOM 0 HB2 LYS A 85 8.418 10.487 1.311 1.00 64.34 H new ATOM 0 HB3 LYS A 85 9.840 11.089 2.139 1.00 64.34 H new ATOM 0 HG2 LYS A 85 7.889 13.116 1.086 1.00 13.54 H new ATOM 0 HG3 LYS A 85 7.403 12.169 2.478 1.00 13.54 H new ATOM 0 HD2 LYS A 85 8.441 14.242 3.239 1.00 70.01 H new ATOM 0 HD3 LYS A 85 9.455 12.887 3.695 1.00 70.01 H new ATOM 0 HE2 LYS A 85 10.924 13.330 1.728 1.00 22.11 H new ATOM 0 HE3 LYS A 85 9.913 14.689 1.281 1.00 22.11 H new ATOM 0 HZ1 LYS A 85 11.857 15.408 2.506 1.00 53.23 H new ATOM 0 HZ2 LYS A 85 10.452 15.750 3.396 1.00 53.23 H new ATOM 0 HZ3 LYS A 85 11.432 14.432 3.829 1.00 53.23 H new ATOM 1411 N LYS A 86 10.575 9.620 -1.155 1.00 33.35 N ATOM 1412 CA LYS A 86 11.529 8.577 -1.587 1.00 13.04 C ATOM 1413 C LYS A 86 11.967 7.678 -0.409 1.00 22.41 C ATOM 1414 O LYS A 86 12.987 6.992 -0.490 1.00 11.14 O ATOM 1415 CB LYS A 86 12.784 9.202 -2.255 1.00 12.15 C ATOM 1416 CG LYS A 86 12.568 10.571 -2.916 1.00 50.02 C ATOM 1417 CD LYS A 86 11.490 10.558 -3.999 1.00 63.12 C ATOM 1418 CE LYS A 86 12.014 10.113 -5.360 1.00 34.51 C ATOM 1419 NZ LYS A 86 12.451 8.694 -5.378 1.00 14.23 N ATOM 0 H LYS A 86 9.685 9.590 -1.652 1.00 33.35 H new ATOM 0 HA LYS A 86 11.006 7.961 -2.318 1.00 13.04 H new ATOM 0 HB2 LYS A 86 13.564 9.301 -1.500 1.00 12.15 H new ATOM 0 HB3 LYS A 86 13.156 8.509 -3.009 1.00 12.15 H new ATOM 0 HG2 LYS A 86 12.295 11.297 -2.150 1.00 50.02 H new ATOM 0 HG3 LYS A 86 13.508 10.908 -3.353 1.00 50.02 H new ATOM 0 HD2 LYS A 86 10.683 9.893 -3.692 1.00 63.12 H new ATOM 0 HD3 LYS A 86 11.063 11.557 -4.090 1.00 63.12 H new ATOM 0 HE2 LYS A 86 11.234 10.257 -6.108 1.00 34.51 H new ATOM 0 HE3 LYS A 86 12.852 10.749 -5.646 1.00 34.51 H new ATOM 0 HZ1 LYS A 86 12.473 8.350 -6.359 1.00 14.23 H new ATOM 0 HZ2 LYS A 86 13.402 8.618 -4.964 1.00 14.23 H new ATOM 0 HZ3 LYS A 86 11.785 8.119 -4.824 1.00 14.23 H new ATOM 1433 N LEU A 87 11.177 7.654 0.664 1.00 3.43 N ATOM 1434 CA LEU A 87 11.588 6.997 1.920 1.00 54.12 C ATOM 1435 C LEU A 87 11.043 5.557 2.048 1.00 11.23 C ATOM 1436 O LEU A 87 10.799 5.071 3.152 1.00 20.43 O ATOM 1437 CB LEU A 87 11.157 7.856 3.133 1.00 74.30 C ATOM 1438 CG LEU A 87 9.685 7.738 3.599 1.00 24.44 C ATOM 1439 CD1 LEU A 87 9.393 8.724 4.728 1.00 12.02 C ATOM 1440 CD2 LEU A 87 8.709 7.941 2.449 1.00 53.22 C ATOM 0 H LEU A 87 10.250 8.079 0.696 1.00 3.43 H new ATOM 0 HA LEU A 87 12.675 6.916 1.901 1.00 54.12 H new ATOM 0 HB2 LEU A 87 11.799 7.597 3.975 1.00 74.30 H new ATOM 0 HB3 LEU A 87 11.352 8.901 2.893 1.00 74.30 H new ATOM 0 HG LEU A 87 9.545 6.725 3.975 1.00 24.44 H new ATOM 0 HD11 LEU A 87 8.353 8.623 5.039 1.00 12.02 H new ATOM 0 HD12 LEU A 87 10.047 8.513 5.574 1.00 12.02 H new ATOM 0 HD13 LEU A 87 9.570 9.741 4.378 1.00 12.02 H new ATOM 0 HD21 LEU A 87 7.688 7.850 2.818 1.00 53.22 H new ATOM 0 HD22 LEU A 87 8.853 8.933 2.020 1.00 53.22 H new ATOM 0 HD23 LEU A 87 8.886 7.186 1.684 1.00 53.22 H new ATOM 1452 N TRP A 88 10.905 4.857 0.922 1.00 62.32 N ATOM 1453 CA TRP A 88 10.395 3.473 0.925 1.00 44.10 C ATOM 1454 C TRP A 88 11.209 2.540 1.850 1.00 21.22 C ATOM 1455 O TRP A 88 10.747 1.452 2.206 1.00 40.22 O ATOM 1456 CB TRP A 88 10.370 2.902 -0.500 1.00 0.45 C ATOM 1457 CG TRP A 88 9.246 3.439 -1.342 1.00 74.12 C ATOM 1458 CD1 TRP A 88 9.315 4.423 -2.289 1.00 13.25 C ATOM 1459 CD2 TRP A 88 7.876 3.017 -1.304 1.00 71.41 C ATOM 1460 NE1 TRP A 88 8.073 4.636 -2.838 1.00 22.12 N ATOM 1461 CE2 TRP A 88 7.173 3.786 -2.248 1.00 23.22 C ATOM 1462 CE3 TRP A 88 7.178 2.058 -0.563 1.00 21.40 C ATOM 1463 CZ2 TRP A 88 5.806 3.630 -2.464 1.00 74.34 C ATOM 1464 CZ3 TRP A 88 5.822 1.907 -0.778 1.00 71.55 C ATOM 1465 CH2 TRP A 88 5.148 2.688 -1.722 1.00 75.12 C ATOM 0 H TRP A 88 11.136 5.218 -0.004 1.00 62.32 H new ATOM 0 HA TRP A 88 9.379 3.517 1.318 1.00 44.10 H new ATOM 0 HB2 TRP A 88 11.318 3.125 -0.989 1.00 0.45 H new ATOM 0 HB3 TRP A 88 10.287 1.817 -0.446 1.00 0.45 H new ATOM 0 HD1 TRP A 88 10.214 4.955 -2.565 1.00 13.25 H new ATOM 0 HE1 TRP A 88 7.856 5.316 -3.566 1.00 22.12 H new ATOM 0 HE3 TRP A 88 7.690 1.446 0.165 1.00 21.40 H new ATOM 0 HZ2 TRP A 88 5.283 4.232 -3.192 1.00 74.34 H new ATOM 0 HZ3 TRP A 88 5.273 1.173 -0.207 1.00 71.55 H new ATOM 0 HH2 TRP A 88 4.088 2.545 -1.868 1.00 75.12 H new ATOM 1476 N ARG A 89 12.419 2.963 2.231 1.00 53.02 N ATOM 1477 CA ARG A 89 13.230 2.217 3.204 1.00 2.53 C ATOM 1478 C ARG A 89 12.457 1.995 4.519 1.00 12.43 C ATOM 1479 O ARG A 89 12.569 0.943 5.154 1.00 15.22 O ATOM 1480 CB ARG A 89 14.540 2.964 3.507 1.00 74.33 C ATOM 1481 CG ARG A 89 14.342 4.254 4.304 1.00 21.23 C ATOM 1482 CD ARG A 89 15.659 4.860 4.769 1.00 3.42 C ATOM 1483 NE ARG A 89 15.443 5.958 5.713 1.00 33.12 N ATOM 1484 CZ ARG A 89 16.374 6.782 6.107 1.00 44.13 C ATOM 1485 NH1 ARG A 89 17.592 6.659 5.676 1.00 52.44 N ATOM 1486 NH2 ARG A 89 16.087 7.730 6.941 1.00 11.23 N ATOM 0 H ARG A 89 12.859 3.815 1.883 1.00 53.02 H new ATOM 0 HA ARG A 89 13.460 1.248 2.761 1.00 2.53 H new ATOM 0 HB2 ARG A 89 15.205 2.303 4.063 1.00 74.33 H new ATOM 0 HB3 ARG A 89 15.039 3.201 2.567 1.00 74.33 H new ATOM 0 HG2 ARG A 89 13.809 4.979 3.689 1.00 21.23 H new ATOM 0 HG3 ARG A 89 13.714 4.049 5.171 1.00 21.23 H new ATOM 0 HD2 ARG A 89 16.269 4.089 5.240 1.00 3.42 H new ATOM 0 HD3 ARG A 89 16.217 5.225 3.907 1.00 3.42 H new ATOM 0 HE ARG A 89 14.503 6.087 6.087 1.00 33.12 H new ATOM 0 HH11 ARG A 89 17.829 5.912 5.023 1.00 52.44 H new ATOM 0 HH12 ARG A 89 18.312 7.309 5.991 1.00 52.44 H new ATOM 0 HH21 ARG A 89 15.134 7.832 7.289 1.00 11.23 H new ATOM 0 HH22 ARG A 89 16.814 8.375 7.250 1.00 11.23 H new ATOM 1500 N GLU A 90 11.678 3.006 4.911 1.00 14.01 N ATOM 1501 CA GLU A 90 10.856 2.950 6.126 1.00 13.21 C ATOM 1502 C GLU A 90 9.856 1.790 6.041 1.00 3.14 C ATOM 1503 O GLU A 90 9.591 1.095 7.022 1.00 63.14 O ATOM 1504 CB GLU A 90 10.078 4.269 6.289 1.00 54.34 C ATOM 1505 CG GLU A 90 10.934 5.535 6.242 1.00 30.31 C ATOM 1506 CD GLU A 90 11.810 5.713 7.467 1.00 63.21 C ATOM 1507 OE1 GLU A 90 11.255 5.973 8.558 1.00 1.45 O ATOM 1508 OE2 GLU A 90 13.051 5.607 7.346 1.00 55.42 O ATOM 0 H GLU A 90 11.598 3.884 4.398 1.00 14.01 H new ATOM 0 HA GLU A 90 11.514 2.798 6.982 1.00 13.21 H new ATOM 0 HB2 GLU A 90 9.325 4.328 5.503 1.00 54.34 H new ATOM 0 HB3 GLU A 90 9.545 4.244 7.240 1.00 54.34 H new ATOM 0 HG2 GLU A 90 11.565 5.506 5.354 1.00 30.31 H new ATOM 0 HG3 GLU A 90 10.282 6.403 6.141 1.00 30.31 H new ATOM 1515 N ILE A 91 9.323 1.590 4.840 1.00 54.12 N ATOM 1516 CA ILE A 91 8.297 0.578 4.599 1.00 41.25 C ATOM 1517 C ILE A 91 8.866 -0.838 4.772 1.00 74.34 C ATOM 1518 O ILE A 91 8.333 -1.641 5.537 1.00 73.24 O ATOM 1519 CB ILE A 91 7.696 0.724 3.178 1.00 25.22 C ATOM 1520 CG1 ILE A 91 7.325 2.193 2.889 1.00 23.11 C ATOM 1521 CG2 ILE A 91 6.475 -0.182 3.011 1.00 24.43 C ATOM 1522 CD1 ILE A 91 6.329 2.788 3.861 1.00 31.42 C ATOM 0 H ILE A 91 9.587 2.121 4.010 1.00 54.12 H new ATOM 0 HA ILE A 91 7.508 0.734 5.335 1.00 41.25 H new ATOM 0 HB ILE A 91 8.453 0.415 2.457 1.00 25.22 H new ATOM 0 HG12 ILE A 91 8.234 2.795 2.905 1.00 23.11 H new ATOM 0 HG13 ILE A 91 6.916 2.260 1.881 1.00 23.11 H new ATOM 0 HG21 ILE A 91 6.069 -0.064 2.006 1.00 24.43 H new ATOM 0 HG22 ILE A 91 6.769 -1.220 3.164 1.00 24.43 H new ATOM 0 HG23 ILE A 91 5.716 0.092 3.744 1.00 24.43 H new ATOM 0 HD11 ILE A 91 6.124 3.822 3.585 1.00 31.42 H new ATOM 0 HD12 ILE A 91 5.403 2.214 3.830 1.00 31.42 H new ATOM 0 HD13 ILE A 91 6.742 2.757 4.869 1.00 31.42 H new ATOM 1534 N THR A 92 9.960 -1.135 4.067 1.00 41.33 N ATOM 1535 CA THR A 92 10.623 -2.447 4.183 1.00 53.23 C ATOM 1536 C THR A 92 11.080 -2.729 5.617 1.00 2.33 C ATOM 1537 O THR A 92 10.831 -3.809 6.157 1.00 10.24 O ATOM 1538 CB THR A 92 11.848 -2.566 3.244 1.00 25.25 C ATOM 1539 OG1 THR A 92 12.638 -1.367 3.301 1.00 21.32 O ATOM 1540 CG2 THR A 92 11.419 -2.839 1.807 1.00 62.30 C ATOM 0 H THR A 92 10.407 -0.493 3.412 1.00 41.33 H new ATOM 0 HA THR A 92 9.874 -3.182 3.889 1.00 53.23 H new ATOM 0 HB THR A 92 12.450 -3.408 3.585 1.00 25.25 H new ATOM 0 HG1 THR A 92 12.259 -0.757 3.968 1.00 21.32 H new ATOM 0 HG21 THR A 92 12.302 -2.917 1.172 1.00 62.30 H new ATOM 0 HG22 THR A 92 10.859 -3.773 1.766 1.00 62.30 H new ATOM 0 HG23 THR A 92 10.790 -2.022 1.454 1.00 62.30 H new ATOM 1548 N LYS A 93 11.744 -1.753 6.233 1.00 34.22 N ATOM 1549 CA LYS A 93 12.209 -1.898 7.615 1.00 32.23 C ATOM 1550 C LYS A 93 11.025 -2.099 8.578 1.00 2.44 C ATOM 1551 O LYS A 93 11.130 -2.833 9.565 1.00 15.13 O ATOM 1552 CB LYS A 93 13.039 -0.674 8.031 1.00 31.23 C ATOM 1553 CG LYS A 93 13.776 -0.844 9.359 1.00 21.22 C ATOM 1554 CD LYS A 93 14.691 -2.069 9.347 1.00 5.22 C ATOM 1555 CE LYS A 93 15.498 -2.194 10.635 1.00 11.13 C ATOM 1556 NZ LYS A 93 16.288 -3.455 10.674 1.00 74.15 N ATOM 0 H LYS A 93 11.972 -0.857 5.802 1.00 34.22 H new ATOM 0 HA LYS A 93 12.842 -2.784 7.669 1.00 32.23 H new ATOM 0 HB2 LYS A 93 13.767 -0.459 7.249 1.00 31.23 H new ATOM 0 HB3 LYS A 93 12.380 0.192 8.101 1.00 31.23 H new ATOM 0 HG2 LYS A 93 14.367 0.049 9.564 1.00 21.22 H new ATOM 0 HG3 LYS A 93 13.051 -0.939 10.167 1.00 21.22 H new ATOM 0 HD2 LYS A 93 14.091 -2.968 9.207 1.00 5.22 H new ATOM 0 HD3 LYS A 93 15.372 -2.005 8.498 1.00 5.22 H new ATOM 0 HE2 LYS A 93 16.171 -1.341 10.726 1.00 11.13 H new ATOM 0 HE3 LYS A 93 14.824 -2.161 11.491 1.00 11.13 H new ATOM 0 HZ1 LYS A 93 16.822 -3.502 11.565 1.00 74.15 H new ATOM 0 HZ2 LYS A 93 15.645 -4.270 10.612 1.00 74.15 H new ATOM 0 HZ3 LYS A 93 16.950 -3.475 9.872 1.00 74.15 H new ATOM 1570 N GLY A 94 9.896 -1.457 8.271 1.00 22.54 N ATOM 1571 CA GLY A 94 8.688 -1.613 9.077 1.00 14.43 C ATOM 1572 C GLY A 94 8.052 -2.997 8.944 1.00 11.11 C ATOM 1573 O GLY A 94 7.242 -3.399 9.780 1.00 60.35 O ATOM 0 H GLY A 94 9.795 -0.828 7.474 1.00 22.54 H new ATOM 0 HA2 GLY A 94 8.931 -1.431 10.124 1.00 14.43 H new ATOM 0 HA3 GLY A 94 7.961 -0.856 8.782 1.00 14.43 H new ATOM 1577 N LEU A 95 8.412 -3.722 7.884 1.00 33.21 N ATOM 1578 CA LEU A 95 7.920 -5.090 7.665 1.00 50.31 C ATOM 1579 C LEU A 95 8.951 -6.130 8.143 1.00 11.14 C ATOM 1580 O LEU A 95 8.801 -7.328 7.891 1.00 3.40 O ATOM 1581 CB LEU A 95 7.619 -5.305 6.171 1.00 64.43 C ATOM 1582 CG LEU A 95 6.697 -4.259 5.525 1.00 25.44 C ATOM 1583 CD1 LEU A 95 6.553 -4.511 4.026 1.00 12.42 C ATOM 1584 CD2 LEU A 95 5.330 -4.245 6.202 1.00 25.14 C ATOM 0 H LEU A 95 9.045 -3.386 7.159 1.00 33.21 H new ATOM 0 HA LEU A 95 7.006 -5.221 8.244 1.00 50.31 H new ATOM 0 HB2 LEU A 95 8.563 -5.318 5.626 1.00 64.43 H new ATOM 0 HB3 LEU A 95 7.166 -6.289 6.047 1.00 64.43 H new ATOM 0 HG LEU A 95 7.154 -3.279 5.663 1.00 25.44 H new ATOM 0 HD11 LEU A 95 5.896 -3.758 3.592 1.00 12.42 H new ATOM 0 HD12 LEU A 95 7.533 -4.455 3.552 1.00 12.42 H new ATOM 0 HD13 LEU A 95 6.127 -5.501 3.863 1.00 12.42 H new ATOM 0 HD21 LEU A 95 4.696 -3.496 5.727 1.00 25.14 H new ATOM 0 HD22 LEU A 95 4.866 -5.227 6.106 1.00 25.14 H new ATOM 0 HD23 LEU A 95 5.449 -4.002 7.258 1.00 25.14 H new ATOM 1596 N ASN A 96 9.996 -5.651 8.831 1.00 45.25 N ATOM 1597 CA ASN A 96 11.098 -6.502 9.316 1.00 52.44 C ATOM 1598 C ASN A 96 11.948 -7.040 8.143 1.00 4.43 C ATOM 1599 O ASN A 96 12.758 -7.950 8.308 1.00 34.32 O ATOM 1600 CB ASN A 96 10.549 -7.656 10.180 1.00 71.04 C ATOM 1601 CG ASN A 96 11.629 -8.448 10.907 1.00 2.23 C ATOM 1602 OD1 ASN A 96 12.702 -7.788 11.299 1.00 24.22 O flip ATOM 1603 ND2 ASN A 96 11.492 -9.647 11.132 1.00 10.33 N flip ATOM 0 H ASN A 96 10.104 -4.665 9.068 1.00 45.25 H new ATOM 0 HA ASN A 96 11.750 -5.890 9.939 1.00 52.44 H new ATOM 0 HB2 ASN A 96 9.854 -7.249 10.914 1.00 71.04 H new ATOM 0 HB3 ASN A 96 9.980 -8.334 9.544 1.00 71.04 H new ATOM 0 HD21 ASN A 96 10.652 -10.132 10.817 1.00 10.33 H new ATOM 0 HD22 ASN A 96 12.218 -10.158 11.634 1.00 10.33 H new ATOM 1610 N LEU A 97 11.782 -6.440 6.965 1.00 35.10 N ATOM 1611 CA LEU A 97 12.508 -6.866 5.760 1.00 11.01 C ATOM 1612 C LEU A 97 13.866 -6.149 5.630 1.00 30.35 C ATOM 1613 O LEU A 97 14.033 -5.023 6.104 1.00 74.00 O ATOM 1614 CB LEU A 97 11.668 -6.587 4.503 1.00 13.30 C ATOM 1615 CG LEU A 97 10.238 -7.149 4.521 1.00 11.31 C ATOM 1616 CD1 LEU A 97 9.537 -6.888 3.190 1.00 24.01 C ATOM 1617 CD2 LEU A 97 10.239 -8.640 4.851 1.00 14.22 C ATOM 0 H LEU A 97 11.149 -5.654 6.815 1.00 35.10 H new ATOM 0 HA LEU A 97 12.690 -7.937 5.854 1.00 11.01 H new ATOM 0 HB2 LEU A 97 11.613 -5.508 4.357 1.00 13.30 H new ATOM 0 HB3 LEU A 97 12.190 -7.000 3.640 1.00 13.30 H new ATOM 0 HG LEU A 97 9.684 -6.633 5.305 1.00 11.31 H new ATOM 0 HD11 LEU A 97 8.526 -7.294 3.225 1.00 24.01 H new ATOM 0 HD12 LEU A 97 9.490 -5.814 3.008 1.00 24.01 H new ATOM 0 HD13 LEU A 97 10.093 -7.369 2.385 1.00 24.01 H new ATOM 0 HD21 LEU A 97 9.214 -9.012 4.857 1.00 14.22 H new ATOM 0 HD22 LEU A 97 10.816 -9.179 4.099 1.00 14.22 H new ATOM 0 HD23 LEU A 97 10.687 -8.795 5.832 1.00 14.22 H new ATOM 1629 N PRO A 98 14.854 -6.791 4.970 1.00 33.24 N ATOM 1630 CA PRO A 98 16.151 -6.157 4.695 1.00 41.45 C ATOM 1631 C PRO A 98 16.007 -5.006 3.684 1.00 63.34 C ATOM 1632 O PRO A 98 15.807 -5.232 2.492 1.00 31.43 O ATOM 1633 CB PRO A 98 16.999 -7.304 4.120 1.00 21.40 C ATOM 1634 CG PRO A 98 16.008 -8.277 3.571 1.00 1.03 C ATOM 1635 CD PRO A 98 14.781 -8.166 4.440 1.00 54.03 C ATOM 0 HA PRO A 98 16.597 -5.706 5.581 1.00 41.45 H new ATOM 0 HB2 PRO A 98 17.673 -6.945 3.342 1.00 21.40 H new ATOM 0 HB3 PRO A 98 17.618 -7.763 4.891 1.00 21.40 H new ATOM 0 HG2 PRO A 98 15.771 -8.047 2.532 1.00 1.03 H new ATOM 0 HG3 PRO A 98 16.407 -9.291 3.589 1.00 1.03 H new ATOM 0 HD2 PRO A 98 13.868 -8.327 3.867 1.00 54.03 H new ATOM 0 HD3 PRO A 98 14.789 -8.905 5.241 1.00 54.03 H new ATOM 1643 N THR A 99 16.123 -3.771 4.165 1.00 22.25 N ATOM 1644 CA THR A 99 15.799 -2.581 3.353 1.00 41.11 C ATOM 1645 C THR A 99 16.747 -2.375 2.151 1.00 52.32 C ATOM 1646 O THR A 99 16.654 -1.373 1.439 1.00 11.31 O ATOM 1647 CB THR A 99 15.786 -1.295 4.220 1.00 15.01 C ATOM 1648 OG1 THR A 99 15.208 -0.212 3.483 1.00 63.21 O ATOM 1649 CG2 THR A 99 17.193 -0.912 4.676 1.00 35.05 C ATOM 0 H THR A 99 16.438 -3.559 5.112 1.00 22.25 H new ATOM 0 HA THR A 99 14.803 -2.770 2.953 1.00 41.11 H new ATOM 0 HB THR A 99 15.185 -1.498 5.106 1.00 15.01 H new ATOM 0 HG1 THR A 99 14.280 -0.430 3.256 1.00 63.21 H new ATOM 0 HG21 THR A 99 17.146 -0.007 5.281 1.00 35.05 H new ATOM 0 HG22 THR A 99 17.617 -1.723 5.269 1.00 35.05 H new ATOM 0 HG23 THR A 99 17.822 -0.733 3.804 1.00 35.05 H new ATOM 1657 N SER A 100 17.647 -3.330 1.916 1.00 70.44 N ATOM 1658 CA SER A 100 18.571 -3.272 0.772 1.00 52.00 C ATOM 1659 C SER A 100 18.075 -4.133 -0.407 1.00 51.31 C ATOM 1660 O SER A 100 18.825 -4.412 -1.342 1.00 63.32 O ATOM 1661 CB SER A 100 19.973 -3.737 1.205 1.00 60.13 C ATOM 1662 OG SER A 100 20.924 -3.593 0.158 1.00 44.03 O ATOM 0 H SER A 100 17.760 -4.157 2.502 1.00 70.44 H new ATOM 0 HA SER A 100 18.616 -2.237 0.434 1.00 52.00 H new ATOM 0 HB2 SER A 100 20.296 -3.160 2.071 1.00 60.13 H new ATOM 0 HB3 SER A 100 19.930 -4.781 1.516 1.00 60.13 H new ATOM 0 HG SER A 100 20.522 -3.876 -0.690 1.00 44.03 H new ATOM 1668 N ILE A 101 16.803 -4.542 -0.366 1.00 30.04 N ATOM 1669 CA ILE A 101 16.213 -5.371 -1.431 1.00 35.41 C ATOM 1670 C ILE A 101 16.301 -4.689 -2.811 1.00 14.10 C ATOM 1671 O ILE A 101 15.874 -3.545 -2.981 1.00 31.15 O ATOM 1672 CB ILE A 101 14.739 -5.734 -1.109 1.00 55.50 C ATOM 1673 CG1 ILE A 101 14.678 -6.704 0.083 1.00 31.32 C ATOM 1674 CG2 ILE A 101 14.035 -6.334 -2.329 1.00 55.23 C ATOM 1675 CD1 ILE A 101 13.279 -6.946 0.610 1.00 32.31 C ATOM 0 H ILE A 101 16.159 -4.314 0.392 1.00 30.04 H new ATOM 0 HA ILE A 101 16.799 -6.289 -1.473 1.00 35.41 H new ATOM 0 HB ILE A 101 14.215 -4.816 -0.842 1.00 55.50 H new ATOM 0 HG12 ILE A 101 15.113 -7.658 -0.216 1.00 31.32 H new ATOM 0 HG13 ILE A 101 15.296 -6.311 0.890 1.00 31.32 H new ATOM 0 HG21 ILE A 101 13.004 -6.578 -2.071 1.00 55.23 H new ATOM 0 HG22 ILE A 101 14.044 -5.612 -3.146 1.00 55.23 H new ATOM 0 HG23 ILE A 101 14.555 -7.240 -2.640 1.00 55.23 H new ATOM 0 HD11 ILE A 101 13.321 -7.640 1.449 1.00 32.31 H new ATOM 0 HD12 ILE A 101 12.847 -6.002 0.942 1.00 32.31 H new ATOM 0 HD13 ILE A 101 12.661 -7.370 -0.181 1.00 32.31 H new ATOM 1687 N THR A 102 16.832 -5.435 -3.788 1.00 15.03 N ATOM 1688 CA THR A 102 17.117 -4.942 -5.153 1.00 12.01 C ATOM 1689 C THR A 102 16.087 -3.925 -5.693 1.00 23.54 C ATOM 1690 O THR A 102 16.453 -2.831 -6.128 1.00 11.51 O ATOM 1691 CB THR A 102 17.203 -6.124 -6.155 1.00 62.24 C ATOM 1692 OG1 THR A 102 18.167 -7.091 -5.700 1.00 25.04 O ATOM 1693 CG2 THR A 102 17.586 -5.646 -7.553 1.00 63.30 C ATOM 0 H THR A 102 17.082 -6.415 -3.656 1.00 15.03 H new ATOM 0 HA THR A 102 18.072 -4.423 -5.067 1.00 12.01 H new ATOM 0 HB THR A 102 16.216 -6.584 -6.207 1.00 62.24 H new ATOM 0 HG1 THR A 102 18.212 -7.833 -6.338 1.00 25.04 H new ATOM 0 HG21 THR A 102 17.637 -6.500 -8.228 1.00 63.30 H new ATOM 0 HG22 THR A 102 16.837 -4.942 -7.915 1.00 63.30 H new ATOM 0 HG23 THR A 102 18.558 -5.154 -7.516 1.00 63.30 H new ATOM 1701 N SER A 103 14.806 -4.289 -5.683 1.00 12.43 N ATOM 1702 CA SER A 103 13.758 -3.429 -6.267 1.00 12.43 C ATOM 1703 C SER A 103 12.627 -3.136 -5.274 1.00 1.12 C ATOM 1704 O SER A 103 11.482 -2.943 -5.675 1.00 73.24 O ATOM 1705 CB SER A 103 13.173 -4.088 -7.527 1.00 51.14 C ATOM 1706 OG SER A 103 12.549 -5.327 -7.222 1.00 23.51 O ATOM 0 H SER A 103 14.463 -5.163 -5.283 1.00 12.43 H new ATOM 0 HA SER A 103 14.230 -2.481 -6.526 1.00 12.43 H new ATOM 0 HB2 SER A 103 12.447 -3.417 -7.987 1.00 51.14 H new ATOM 0 HB3 SER A 103 13.966 -4.248 -8.257 1.00 51.14 H new ATOM 0 HG SER A 103 12.185 -5.721 -8.042 1.00 23.51 H new ATOM 1712 N ALA A 104 12.963 -3.056 -3.986 1.00 20.52 N ATOM 1713 CA ALA A 104 11.963 -2.830 -2.928 1.00 22.24 C ATOM 1714 C ALA A 104 11.016 -1.658 -3.251 1.00 52.13 C ATOM 1715 O ALA A 104 9.816 -1.854 -3.433 1.00 64.32 O ATOM 1716 CB ALA A 104 12.659 -2.589 -1.594 1.00 74.24 C ATOM 0 H ALA A 104 13.920 -3.144 -3.644 1.00 20.52 H new ATOM 0 HA ALA A 104 11.351 -3.730 -2.866 1.00 22.24 H new ATOM 0 HB1 ALA A 104 11.911 -2.423 -0.818 1.00 74.24 H new ATOM 0 HB2 ALA A 104 13.262 -3.459 -1.336 1.00 74.24 H new ATOM 0 HB3 ALA A 104 13.302 -1.712 -1.672 1.00 74.24 H new ATOM 1722 N ALA A 105 11.571 -0.451 -3.334 1.00 4.34 N ATOM 1723 CA ALA A 105 10.782 0.763 -3.600 1.00 45.55 C ATOM 1724 C ALA A 105 9.906 0.638 -4.863 1.00 44.13 C ATOM 1725 O ALA A 105 8.729 1.004 -4.859 1.00 53.42 O ATOM 1726 CB ALA A 105 11.716 1.960 -3.731 1.00 40.12 C ATOM 0 H ALA A 105 12.570 -0.281 -3.221 1.00 4.34 H new ATOM 0 HA ALA A 105 10.106 0.903 -2.757 1.00 45.55 H new ATOM 0 HB1 ALA A 105 11.131 2.858 -3.928 1.00 40.12 H new ATOM 0 HB2 ALA A 105 12.276 2.088 -2.805 1.00 40.12 H new ATOM 0 HB3 ALA A 105 12.410 1.791 -4.554 1.00 40.12 H new ATOM 1732 N PHE A 106 10.492 0.117 -5.936 1.00 3.12 N ATOM 1733 CA PHE A 106 9.803 -0.002 -7.224 1.00 31.34 C ATOM 1734 C PHE A 106 8.644 -1.014 -7.159 1.00 5.52 C ATOM 1735 O PHE A 106 7.550 -0.758 -7.663 1.00 23.32 O ATOM 1736 CB PHE A 106 10.812 -0.416 -8.308 1.00 43.24 C ATOM 1737 CG PHE A 106 10.268 -0.360 -9.714 1.00 15.41 C ATOM 1738 CD1 PHE A 106 10.253 0.839 -10.415 1.00 23.34 C ATOM 1739 CD2 PHE A 106 9.772 -1.498 -10.334 1.00 20.40 C ATOM 1740 CE1 PHE A 106 9.756 0.898 -11.703 1.00 32.30 C ATOM 1741 CE2 PHE A 106 9.275 -1.444 -11.622 1.00 35.11 C ATOM 1742 CZ PHE A 106 9.267 -0.244 -12.307 1.00 22.40 C ATOM 0 H PHE A 106 11.450 -0.233 -5.942 1.00 3.12 H new ATOM 0 HA PHE A 106 9.374 0.969 -7.472 1.00 31.34 H new ATOM 0 HB2 PHE A 106 11.685 0.233 -8.242 1.00 43.24 H new ATOM 0 HB3 PHE A 106 11.153 -1.431 -8.103 1.00 43.24 H new ATOM 0 HD1 PHE A 106 10.634 1.735 -9.948 1.00 23.34 H new ATOM 0 HD2 PHE A 106 9.774 -2.438 -9.803 1.00 20.40 H new ATOM 0 HE1 PHE A 106 9.750 1.837 -12.237 1.00 32.30 H new ATOM 0 HE2 PHE A 106 8.893 -2.338 -12.093 1.00 35.11 H new ATOM 0 HZ PHE A 106 8.879 -0.199 -13.314 1.00 22.40 H new ATOM 1752 N THR A 107 8.893 -2.158 -6.526 1.00 23.44 N ATOM 1753 CA THR A 107 7.895 -3.232 -6.435 1.00 54.01 C ATOM 1754 C THR A 107 6.776 -2.898 -5.432 1.00 11.51 C ATOM 1755 O THR A 107 5.593 -3.067 -5.734 1.00 64.14 O ATOM 1756 CB THR A 107 8.551 -4.578 -6.032 1.00 1.24 C ATOM 1757 OG1 THR A 107 9.595 -4.916 -6.962 1.00 74.11 O ATOM 1758 CG2 THR A 107 7.522 -5.708 -5.992 1.00 1.14 C ATOM 0 H THR A 107 9.778 -2.370 -6.066 1.00 23.44 H new ATOM 0 HA THR A 107 7.456 -3.326 -7.428 1.00 54.01 H new ATOM 0 HB THR A 107 8.971 -4.458 -5.033 1.00 1.24 H new ATOM 0 HG1 THR A 107 10.417 -4.442 -6.717 1.00 74.11 H new ATOM 0 HG21 THR A 107 8.014 -6.638 -5.706 1.00 1.14 H new ATOM 0 HG22 THR A 107 6.747 -5.469 -5.264 1.00 1.14 H new ATOM 0 HG23 THR A 107 7.071 -5.824 -6.977 1.00 1.14 H new ATOM 1766 N LEU A 108 7.152 -2.425 -4.240 1.00 33.12 N ATOM 1767 CA LEU A 108 6.170 -2.076 -3.199 1.00 24.43 C ATOM 1768 C LEU A 108 5.177 -1.015 -3.695 1.00 73.21 C ATOM 1769 O LEU A 108 3.975 -1.114 -3.451 1.00 13.24 O ATOM 1770 CB LEU A 108 6.874 -1.571 -1.931 1.00 11.34 C ATOM 1771 CG LEU A 108 7.749 -2.605 -1.203 1.00 20.20 C ATOM 1772 CD1 LEU A 108 8.397 -1.988 0.036 1.00 70.41 C ATOM 1773 CD2 LEU A 108 6.934 -3.841 -0.828 1.00 44.15 C ATOM 0 H LEU A 108 8.124 -2.274 -3.969 1.00 33.12 H new ATOM 0 HA LEU A 108 5.615 -2.984 -2.962 1.00 24.43 H new ATOM 0 HB2 LEU A 108 7.497 -0.717 -2.198 1.00 11.34 H new ATOM 0 HB3 LEU A 108 6.117 -1.208 -1.236 1.00 11.34 H new ATOM 0 HG LEU A 108 8.541 -2.917 -1.884 1.00 20.20 H new ATOM 0 HD11 LEU A 108 9.012 -2.737 0.536 1.00 70.41 H new ATOM 0 HD12 LEU A 108 9.021 -1.146 -0.261 1.00 70.41 H new ATOM 0 HD13 LEU A 108 7.621 -1.641 0.718 1.00 70.41 H new ATOM 0 HD21 LEU A 108 7.575 -4.557 -0.314 1.00 44.15 H new ATOM 0 HD22 LEU A 108 6.115 -3.551 -0.170 1.00 44.15 H new ATOM 0 HD23 LEU A 108 6.530 -4.298 -1.731 1.00 44.15 H new ATOM 1785 N ARG A 109 5.693 -0.004 -4.395 1.00 12.34 N ATOM 1786 CA ARG A 109 4.852 1.048 -4.978 1.00 23.43 C ATOM 1787 C ARG A 109 3.773 0.453 -5.898 1.00 72.33 C ATOM 1788 O ARG A 109 2.602 0.835 -5.830 1.00 51.34 O ATOM 1789 CB ARG A 109 5.722 2.046 -5.761 1.00 30.52 C ATOM 1790 CG ARG A 109 4.948 3.210 -6.376 1.00 2.45 C ATOM 1791 CD ARG A 109 5.852 4.101 -7.221 1.00 51.23 C ATOM 1792 NE ARG A 109 6.433 3.369 -8.347 1.00 13.34 N ATOM 1793 CZ ARG A 109 7.589 3.635 -8.890 1.00 13.41 C ATOM 1794 NH1 ARG A 109 8.331 4.604 -8.441 1.00 15.33 N ATOM 1795 NH2 ARG A 109 7.999 2.917 -9.884 1.00 50.34 N ATOM 0 H ARG A 109 6.691 0.111 -4.574 1.00 12.34 H new ATOM 0 HA ARG A 109 4.351 1.570 -4.163 1.00 23.43 H new ATOM 0 HB2 ARG A 109 6.485 2.446 -5.093 1.00 30.52 H new ATOM 0 HB3 ARG A 109 6.242 1.511 -6.556 1.00 30.52 H new ATOM 0 HG2 ARG A 109 4.138 2.823 -6.994 1.00 2.45 H new ATOM 0 HG3 ARG A 109 4.490 3.802 -5.584 1.00 2.45 H new ATOM 0 HD2 ARG A 109 5.280 4.950 -7.595 1.00 51.23 H new ATOM 0 HD3 ARG A 109 6.650 4.504 -6.598 1.00 51.23 H new ATOM 0 HE ARG A 109 5.895 2.594 -8.736 1.00 13.34 H new ATOM 0 HH11 ARG A 109 8.011 5.168 -7.654 1.00 15.33 H new ATOM 0 HH12 ARG A 109 9.233 4.800 -8.876 1.00 15.33 H new ATOM 0 HH21 ARG A 109 7.421 2.153 -10.234 1.00 50.34 H new ATOM 0 HH22 ARG A 109 8.901 3.114 -10.318 1.00 50.34 H new ATOM 1809 N THR A 110 4.177 -0.492 -6.747 1.00 2.12 N ATOM 1810 CA THR A 110 3.246 -1.168 -7.662 1.00 61.34 C ATOM 1811 C THR A 110 2.192 -1.986 -6.895 1.00 55.42 C ATOM 1812 O THR A 110 0.992 -1.818 -7.103 1.00 65.33 O ATOM 1813 CB THR A 110 3.992 -2.110 -8.642 1.00 62.40 C ATOM 1814 OG1 THR A 110 4.973 -1.378 -9.393 1.00 4.31 O ATOM 1815 CG2 THR A 110 3.019 -2.789 -9.607 1.00 0.10 C ATOM 0 H THR A 110 5.143 -0.810 -6.823 1.00 2.12 H new ATOM 0 HA THR A 110 2.748 -0.381 -8.228 1.00 61.34 H new ATOM 0 HB THR A 110 4.487 -2.878 -8.047 1.00 62.40 H new ATOM 0 HG1 THR A 110 5.754 -1.203 -8.827 1.00 4.31 H new ATOM 0 HG21 THR A 110 3.572 -3.443 -10.281 1.00 0.10 H new ATOM 0 HG22 THR A 110 2.297 -3.378 -9.041 1.00 0.10 H new ATOM 0 HG23 THR A 110 2.493 -2.031 -10.187 1.00 0.10 H new ATOM 1823 N GLN A 111 2.648 -2.863 -5.998 1.00 73.31 N ATOM 1824 CA GLN A 111 1.741 -3.744 -5.242 1.00 30.14 C ATOM 1825 C GLN A 111 0.723 -2.933 -4.422 1.00 2.34 C ATOM 1826 O GLN A 111 -0.470 -3.249 -4.401 1.00 61.11 O ATOM 1827 CB GLN A 111 2.542 -4.677 -4.320 1.00 42.41 C ATOM 1828 CG GLN A 111 3.633 -5.467 -5.039 1.00 12.44 C ATOM 1829 CD GLN A 111 3.111 -6.289 -6.210 1.00 12.11 C ATOM 1830 OE1 GLN A 111 1.980 -6.763 -6.209 1.00 43.30 O ATOM 1831 NE2 GLN A 111 3.938 -6.457 -7.226 1.00 1.11 N ATOM 0 H GLN A 111 3.636 -2.986 -5.774 1.00 73.31 H new ATOM 0 HA GLN A 111 1.188 -4.347 -5.963 1.00 30.14 H new ATOM 0 HB2 GLN A 111 2.998 -4.085 -3.527 1.00 42.41 H new ATOM 0 HB3 GLN A 111 1.856 -5.376 -3.841 1.00 42.41 H new ATOM 0 HG2 GLN A 111 4.394 -4.775 -5.401 1.00 12.44 H new ATOM 0 HG3 GLN A 111 4.120 -6.132 -4.326 1.00 12.44 H new ATOM 0 HE21 GLN A 111 4.873 -6.049 -7.196 1.00 1.11 H new ATOM 0 HE22 GLN A 111 3.642 -6.994 -8.041 1.00 1.11 H new ATOM 1840 N TYR A 112 1.202 -1.886 -3.752 1.00 2.11 N ATOM 1841 CA TYR A 112 0.326 -0.973 -3.010 1.00 30.21 C ATOM 1842 C TYR A 112 -0.693 -0.326 -3.959 1.00 23.14 C ATOM 1843 O TYR A 112 -1.889 -0.261 -3.663 1.00 41.43 O ATOM 1844 CB TYR A 112 1.164 0.110 -2.317 1.00 5.52 C ATOM 1845 CG TYR A 112 0.377 1.010 -1.378 1.00 10.03 C ATOM 1846 CD1 TYR A 112 -0.217 2.186 -1.829 1.00 4.13 C ATOM 1847 CD2 TYR A 112 0.244 0.690 -0.032 1.00 62.22 C ATOM 1848 CE1 TYR A 112 -0.915 3.011 -0.967 1.00 15.13 C ATOM 1849 CE2 TYR A 112 -0.456 1.508 0.832 1.00 55.32 C ATOM 1850 CZ TYR A 112 -1.030 2.669 0.363 1.00 22.01 C ATOM 1851 OH TYR A 112 -1.718 3.489 1.232 1.00 54.23 O ATOM 0 H TYR A 112 2.192 -1.647 -3.706 1.00 2.11 H new ATOM 0 HA TYR A 112 -0.214 -1.541 -2.253 1.00 30.21 H new ATOM 0 HB2 TYR A 112 1.963 -0.372 -1.754 1.00 5.52 H new ATOM 0 HB3 TYR A 112 1.639 0.728 -3.079 1.00 5.52 H new ATOM 0 HD1 TYR A 112 -0.131 2.458 -2.871 1.00 4.13 H new ATOM 0 HD2 TYR A 112 0.697 -0.215 0.345 1.00 62.22 H new ATOM 0 HE1 TYR A 112 -1.368 3.920 -1.334 1.00 15.13 H new ATOM 0 HE2 TYR A 112 -0.553 1.238 1.873 1.00 55.32 H new ATOM 0 HH TYR A 112 -1.862 4.363 0.812 1.00 54.23 H new ATOM 1861 N MET A 113 -0.204 0.125 -5.114 1.00 54.21 N ATOM 1862 CA MET A 113 -1.046 0.757 -6.136 1.00 33.31 C ATOM 1863 C MET A 113 -2.100 -0.219 -6.686 1.00 71.35 C ATOM 1864 O MET A 113 -3.188 0.191 -7.096 1.00 50.53 O ATOM 1865 CB MET A 113 -0.172 1.281 -7.283 1.00 73.33 C ATOM 1866 CG MET A 113 -0.918 2.117 -8.315 1.00 15.00 C ATOM 1867 SD MET A 113 0.161 2.671 -9.649 1.00 52.34 S ATOM 1868 CE MET A 113 1.459 3.486 -8.717 1.00 63.31 C ATOM 0 H MET A 113 0.782 0.064 -5.369 1.00 54.21 H new ATOM 0 HA MET A 113 -1.572 1.588 -5.667 1.00 33.31 H new ATOM 0 HB2 MET A 113 0.635 1.881 -6.863 1.00 73.33 H new ATOM 0 HB3 MET A 113 0.291 0.433 -7.787 1.00 73.33 H new ATOM 0 HG2 MET A 113 -1.737 1.531 -8.732 1.00 15.00 H new ATOM 0 HG3 MET A 113 -1.363 2.984 -7.826 1.00 15.00 H new ATOM 0 HE1 MET A 113 2.139 3.990 -9.404 1.00 63.31 H new ATOM 0 HE2 MET A 113 1.017 4.219 -8.042 1.00 63.31 H new ATOM 0 HE3 MET A 113 2.011 2.746 -8.138 1.00 63.31 H new ATOM 1878 N LYS A 114 -1.768 -1.508 -6.705 1.00 71.54 N ATOM 1879 CA LYS A 114 -2.699 -2.541 -7.175 1.00 72.34 C ATOM 1880 C LYS A 114 -3.850 -2.774 -6.187 1.00 62.31 C ATOM 1881 O LYS A 114 -5.022 -2.750 -6.566 1.00 52.52 O ATOM 1882 CB LYS A 114 -1.973 -3.878 -7.393 1.00 33.24 C ATOM 1883 CG LYS A 114 -0.962 -3.887 -8.535 1.00 70.12 C ATOM 1884 CD LYS A 114 -0.398 -5.292 -8.754 1.00 32.01 C ATOM 1885 CE LYS A 114 -1.510 -6.293 -9.059 1.00 31.02 C ATOM 1886 NZ LYS A 114 -1.024 -7.695 -9.102 1.00 20.22 N ATOM 0 H LYS A 114 -0.862 -1.866 -6.401 1.00 71.54 H new ATOM 0 HA LYS A 114 -3.108 -2.176 -8.117 1.00 72.34 H new ATOM 0 HB2 LYS A 114 -1.459 -4.149 -6.471 1.00 33.24 H new ATOM 0 HB3 LYS A 114 -2.718 -4.651 -7.582 1.00 33.24 H new ATOM 0 HG2 LYS A 114 -1.438 -3.535 -9.450 1.00 70.12 H new ATOM 0 HG3 LYS A 114 -0.150 -3.195 -8.312 1.00 70.12 H new ATOM 0 HD2 LYS A 114 0.316 -5.276 -9.578 1.00 32.01 H new ATOM 0 HD3 LYS A 114 0.147 -5.610 -7.866 1.00 32.01 H new ATOM 0 HE2 LYS A 114 -2.289 -6.206 -8.302 1.00 31.02 H new ATOM 0 HE3 LYS A 114 -1.967 -6.042 -10.016 1.00 31.02 H new ATOM 0 HZ1 LYS A 114 -1.585 -8.236 -9.790 1.00 20.22 H new ATOM 0 HZ2 LYS A 114 -0.023 -7.707 -9.385 1.00 20.22 H new ATOM 0 HZ3 LYS A 114 -1.122 -8.126 -8.160 1.00 20.22 H new ATOM 1900 N TYR A 115 -3.504 -3.005 -4.922 1.00 10.10 N ATOM 1901 CA TYR A 115 -4.481 -3.482 -3.934 1.00 14.43 C ATOM 1902 C TYR A 115 -4.919 -2.389 -2.941 1.00 1.22 C ATOM 1903 O TYR A 115 -6.112 -2.168 -2.732 1.00 42.04 O ATOM 1904 CB TYR A 115 -3.889 -4.674 -3.163 1.00 4.42 C ATOM 1905 CG TYR A 115 -3.210 -5.711 -4.051 1.00 71.01 C ATOM 1906 CD1 TYR A 115 -3.916 -6.383 -5.045 1.00 31.54 C ATOM 1907 CD2 TYR A 115 -1.860 -6.017 -3.891 1.00 42.12 C ATOM 1908 CE1 TYR A 115 -3.301 -7.321 -5.852 1.00 21.11 C ATOM 1909 CE2 TYR A 115 -1.239 -6.955 -4.696 1.00 23.41 C ATOM 1910 CZ TYR A 115 -1.964 -7.605 -5.676 1.00 53.14 C ATOM 1911 OH TYR A 115 -1.353 -8.540 -6.484 1.00 23.04 O ATOM 0 H TYR A 115 -2.562 -2.872 -4.555 1.00 10.10 H new ATOM 0 HA TYR A 115 -5.372 -3.784 -4.485 1.00 14.43 H new ATOM 0 HB2 TYR A 115 -3.165 -4.301 -2.438 1.00 4.42 H new ATOM 0 HB3 TYR A 115 -4.685 -5.160 -2.598 1.00 4.42 H new ATOM 0 HD1 TYR A 115 -4.964 -6.167 -5.188 1.00 31.54 H new ATOM 0 HD2 TYR A 115 -1.289 -5.513 -3.125 1.00 42.12 H new ATOM 0 HE1 TYR A 115 -3.866 -7.830 -6.618 1.00 21.11 H new ATOM 0 HE2 TYR A 115 -0.191 -7.178 -4.559 1.00 23.41 H new ATOM 0 HH TYR A 115 -1.400 -9.421 -6.058 1.00 23.04 H new ATOM 1921 N LEU A 116 -3.952 -1.697 -2.341 1.00 14.45 N ATOM 1922 CA LEU A 116 -4.238 -0.781 -1.226 1.00 23.04 C ATOM 1923 C LEU A 116 -4.541 0.658 -1.682 1.00 54.23 C ATOM 1924 O LEU A 116 -5.032 1.468 -0.896 1.00 43.13 O ATOM 1925 CB LEU A 116 -3.062 -0.792 -0.242 1.00 64.24 C ATOM 1926 CG LEU A 116 -2.750 -2.167 0.381 1.00 24.54 C ATOM 1927 CD1 LEU A 116 -1.492 -2.101 1.240 1.00 33.12 C ATOM 1928 CD2 LEU A 116 -3.938 -2.671 1.202 1.00 65.45 C ATOM 0 H LEU A 116 -2.967 -1.749 -2.603 1.00 14.45 H new ATOM 0 HA LEU A 116 -5.143 -1.142 -0.738 1.00 23.04 H new ATOM 0 HB2 LEU A 116 -2.172 -0.433 -0.758 1.00 64.24 H new ATOM 0 HB3 LEU A 116 -3.272 -0.085 0.561 1.00 64.24 H new ATOM 0 HG LEU A 116 -2.570 -2.873 -0.430 1.00 24.54 H new ATOM 0 HD11 LEU A 116 -1.292 -3.083 1.669 1.00 33.12 H new ATOM 0 HD12 LEU A 116 -0.646 -1.795 0.624 1.00 33.12 H new ATOM 0 HD13 LEU A 116 -1.637 -1.377 2.042 1.00 33.12 H new ATOM 0 HD21 LEU A 116 -3.697 -3.643 1.633 1.00 65.45 H new ATOM 0 HD22 LEU A 116 -4.154 -1.963 2.002 1.00 65.45 H new ATOM 0 HD23 LEU A 116 -4.811 -2.767 0.557 1.00 65.45 H new ATOM 1940 N TYR A 117 -4.267 0.973 -2.947 1.00 72.42 N ATOM 1941 CA TYR A 117 -4.518 2.324 -3.480 1.00 23.02 C ATOM 1942 C TYR A 117 -6.014 2.727 -3.404 1.00 24.53 C ATOM 1943 O TYR A 117 -6.337 3.779 -2.847 1.00 72.05 O ATOM 1944 CB TYR A 117 -3.982 2.442 -4.916 1.00 51.44 C ATOM 1945 CG TYR A 117 -4.466 3.672 -5.665 1.00 52.14 C ATOM 1946 CD1 TYR A 117 -4.090 4.953 -5.269 1.00 74.22 C ATOM 1947 CD2 TYR A 117 -5.315 3.548 -6.761 1.00 14.35 C ATOM 1948 CE1 TYR A 117 -4.542 6.070 -5.948 1.00 65.11 C ATOM 1949 CE2 TYR A 117 -5.769 4.660 -7.443 1.00 1.23 C ATOM 1950 CZ TYR A 117 -5.382 5.918 -7.032 1.00 51.23 C ATOM 1951 OH TYR A 117 -5.838 7.028 -7.710 1.00 72.10 O ATOM 0 H TYR A 117 -3.873 0.320 -3.624 1.00 72.42 H new ATOM 0 HA TYR A 117 -3.978 3.027 -2.846 1.00 23.02 H new ATOM 0 HB2 TYR A 117 -2.893 2.455 -4.885 1.00 51.44 H new ATOM 0 HB3 TYR A 117 -4.274 1.553 -5.475 1.00 51.44 H new ATOM 0 HD1 TYR A 117 -3.436 5.076 -4.419 1.00 74.22 H new ATOM 0 HD2 TYR A 117 -5.624 2.565 -7.084 1.00 14.35 H new ATOM 0 HE1 TYR A 117 -4.239 7.057 -5.631 1.00 65.11 H new ATOM 0 HE2 TYR A 117 -6.424 4.545 -8.294 1.00 1.23 H new ATOM 0 HH TYR A 117 -6.418 6.745 -8.447 1.00 72.10 H new ATOM 1961 N PRO A 118 -6.957 1.916 -3.954 1.00 15.30 N ATOM 1962 CA PRO A 118 -8.397 2.222 -3.845 1.00 11.40 C ATOM 1963 C PRO A 118 -8.856 2.266 -2.380 1.00 4.20 C ATOM 1964 O PRO A 118 -9.725 3.056 -2.000 1.00 4.14 O ATOM 1965 CB PRO A 118 -9.080 1.061 -4.597 1.00 61.34 C ATOM 1966 CG PRO A 118 -8.010 0.477 -5.462 1.00 33.05 C ATOM 1967 CD PRO A 118 -6.723 0.664 -4.703 1.00 3.54 C ATOM 0 HA PRO A 118 -8.643 3.201 -4.258 1.00 11.40 H new ATOM 0 HB2 PRO A 118 -9.475 0.319 -3.903 1.00 61.34 H new ATOM 0 HB3 PRO A 118 -9.919 1.417 -5.194 1.00 61.34 H new ATOM 0 HG2 PRO A 118 -8.198 -0.578 -5.659 1.00 33.05 H new ATOM 0 HG3 PRO A 118 -7.971 0.979 -6.429 1.00 33.05 H new ATOM 0 HD2 PRO A 118 -6.523 -0.174 -4.035 1.00 3.54 H new ATOM 0 HD3 PRO A 118 -5.868 0.749 -5.373 1.00 3.54 H new ATOM 1975 N TYR A 119 -8.237 1.420 -1.561 1.00 24.20 N ATOM 1976 CA TYR A 119 -8.550 1.336 -0.137 1.00 30.55 C ATOM 1977 C TYR A 119 -8.160 2.636 0.594 1.00 13.43 C ATOM 1978 O TYR A 119 -8.952 3.177 1.369 1.00 41.24 O ATOM 1979 CB TYR A 119 -7.828 0.127 0.471 1.00 42.25 C ATOM 1980 CG TYR A 119 -8.300 -0.251 1.865 1.00 72.44 C ATOM 1981 CD1 TYR A 119 -9.500 -0.933 2.051 1.00 33.53 C ATOM 1982 CD2 TYR A 119 -7.550 0.068 2.988 1.00 71.30 C ATOM 1983 CE1 TYR A 119 -9.930 -1.288 3.316 1.00 73.42 C ATOM 1984 CE2 TYR A 119 -7.975 -0.283 4.254 1.00 25.25 C ATOM 1985 CZ TYR A 119 -9.163 -0.959 4.413 1.00 51.20 C ATOM 1986 OH TYR A 119 -9.585 -1.307 5.676 1.00 73.52 O ATOM 0 H TYR A 119 -7.507 0.775 -1.864 1.00 24.20 H new ATOM 0 HA TYR A 119 -9.626 1.207 -0.017 1.00 30.55 H new ATOM 0 HB2 TYR A 119 -7.961 -0.730 -0.189 1.00 42.25 H new ATOM 0 HB3 TYR A 119 -6.759 0.338 0.507 1.00 42.25 H new ATOM 0 HD1 TYR A 119 -10.104 -1.189 1.193 1.00 33.53 H new ATOM 0 HD2 TYR A 119 -6.618 0.600 2.870 1.00 71.30 H new ATOM 0 HE1 TYR A 119 -10.861 -1.820 3.444 1.00 73.42 H new ATOM 0 HE2 TYR A 119 -7.377 -0.028 5.116 1.00 25.25 H new ATOM 0 HH TYR A 119 -8.810 -1.554 6.223 1.00 73.52 H new ATOM 1996 N GLU A 120 -6.947 3.142 0.338 1.00 53.23 N ATOM 1997 CA GLU A 120 -6.514 4.425 0.913 1.00 22.31 C ATOM 1998 C GLU A 120 -7.458 5.551 0.481 1.00 55.23 C ATOM 1999 O GLU A 120 -7.972 6.298 1.311 1.00 12.30 O ATOM 2000 CB GLU A 120 -5.079 4.793 0.485 1.00 15.32 C ATOM 2001 CG GLU A 120 -4.560 6.069 1.160 1.00 33.04 C ATOM 2002 CD GLU A 120 -3.406 6.738 0.417 1.00 52.31 C ATOM 2003 OE1 GLU A 120 -2.337 6.110 0.275 1.00 44.30 O ATOM 2004 OE2 GLU A 120 -3.571 7.905 -0.018 1.00 71.53 O ATOM 0 H GLU A 120 -6.253 2.689 -0.257 1.00 53.23 H new ATOM 0 HA GLU A 120 -6.537 4.309 1.997 1.00 22.31 H new ATOM 0 HB2 GLU A 120 -4.411 3.965 0.724 1.00 15.32 H new ATOM 0 HB3 GLU A 120 -5.051 4.924 -0.597 1.00 15.32 H new ATOM 0 HG2 GLU A 120 -5.381 6.780 1.251 1.00 33.04 H new ATOM 0 HG3 GLU A 120 -4.235 5.826 2.172 1.00 33.04 H new ATOM 2011 N CYS A 121 -7.682 5.646 -0.829 1.00 44.52 N ATOM 2012 CA CYS A 121 -8.530 6.693 -1.417 1.00 74.40 C ATOM 2013 C CYS A 121 -9.897 6.793 -0.719 1.00 61.33 C ATOM 2014 O CYS A 121 -10.434 7.885 -0.547 1.00 55.40 O ATOM 2015 CB CYS A 121 -8.733 6.428 -2.915 1.00 41.45 C ATOM 2016 SG CYS A 121 -9.695 7.701 -3.771 1.00 65.24 S ATOM 0 H CYS A 121 -7.284 5.004 -1.514 1.00 44.52 H new ATOM 0 HA CYS A 121 -8.015 7.643 -1.275 1.00 74.40 H new ATOM 0 HB2 CYS A 121 -7.757 6.343 -3.393 1.00 41.45 H new ATOM 0 HB3 CYS A 121 -9.233 5.467 -3.038 1.00 41.45 H new ATOM 0 HG CYS A 121 -9.809 7.387 -5.027 1.00 65.24 H new ATOM 2022 N GLU A 122 -10.452 5.649 -0.316 1.00 23.34 N ATOM 2023 CA GLU A 122 -11.751 5.617 0.371 1.00 31.52 C ATOM 2024 C GLU A 122 -11.603 5.797 1.897 1.00 54.50 C ATOM 2025 O GLU A 122 -12.095 6.767 2.476 1.00 12.33 O ATOM 2026 CB GLU A 122 -12.461 4.288 0.082 1.00 4.23 C ATOM 2027 CG GLU A 122 -13.870 4.186 0.669 1.00 21.22 C ATOM 2028 CD GLU A 122 -14.871 5.103 -0.022 1.00 43.54 C ATOM 2029 OE1 GLU A 122 -15.330 4.757 -1.131 1.00 55.35 O ATOM 2030 OE2 GLU A 122 -15.207 6.168 0.539 1.00 64.15 O ATOM 0 H GLU A 122 -10.026 4.732 -0.452 1.00 23.34 H new ATOM 0 HA GLU A 122 -12.342 6.450 -0.010 1.00 31.52 H new ATOM 0 HB2 GLU A 122 -12.519 4.148 -0.997 1.00 4.23 H new ATOM 0 HB3 GLU A 122 -11.855 3.473 0.477 1.00 4.23 H new ATOM 0 HG2 GLU A 122 -14.216 3.155 0.591 1.00 21.22 H new ATOM 0 HG3 GLU A 122 -13.834 4.431 1.731 1.00 21.22 H new ATOM 2037 N LYS A 123 -10.914 4.852 2.535 1.00 30.20 N ATOM 2038 CA LYS A 123 -10.837 4.784 4.003 1.00 41.21 C ATOM 2039 C LYS A 123 -10.038 5.944 4.619 1.00 34.25 C ATOM 2040 O LYS A 123 -10.380 6.445 5.691 1.00 44.43 O ATOM 2041 CB LYS A 123 -10.192 3.455 4.424 1.00 2.31 C ATOM 2042 CG LYS A 123 -10.918 2.217 3.904 1.00 52.14 C ATOM 2043 CD LYS A 123 -12.308 2.064 4.514 1.00 10.14 C ATOM 2044 CE LYS A 123 -12.970 0.760 4.085 1.00 62.45 C ATOM 2045 NZ LYS A 123 -14.285 0.555 4.746 1.00 55.33 N ATOM 0 H LYS A 123 -10.395 4.115 2.058 1.00 30.20 H new ATOM 0 HA LYS A 123 -11.859 4.858 4.375 1.00 41.21 H new ATOM 0 HB2 LYS A 123 -9.162 3.435 4.068 1.00 2.31 H new ATOM 0 HB3 LYS A 123 -10.154 3.411 5.512 1.00 2.31 H new ATOM 0 HG2 LYS A 123 -11.004 2.278 2.819 1.00 52.14 H new ATOM 0 HG3 LYS A 123 -10.325 1.330 4.128 1.00 52.14 H new ATOM 0 HD2 LYS A 123 -12.234 2.094 5.601 1.00 10.14 H new ATOM 0 HD3 LYS A 123 -12.932 2.905 4.213 1.00 10.14 H new ATOM 0 HE2 LYS A 123 -13.105 0.762 3.003 1.00 62.45 H new ATOM 0 HE3 LYS A 123 -12.311 -0.075 4.323 1.00 62.45 H new ATOM 0 HZ1 LYS A 123 -14.410 -0.454 4.965 1.00 55.33 H new ATOM 0 HZ2 LYS A 123 -14.321 1.107 5.627 1.00 55.33 H new ATOM 0 HZ3 LYS A 123 -15.046 0.868 4.110 1.00 55.33 H new ATOM 2059 N ARG A 124 -8.978 6.367 3.942 1.00 75.24 N ATOM 2060 CA ARG A 124 -8.059 7.367 4.496 1.00 72.10 C ATOM 2061 C ARG A 124 -8.229 8.745 3.820 1.00 43.23 C ATOM 2062 O ARG A 124 -8.415 9.757 4.497 1.00 55.33 O ATOM 2063 CB ARG A 124 -6.616 6.869 4.340 1.00 63.22 C ATOM 2064 CG ARG A 124 -5.587 7.669 5.128 1.00 22.12 C ATOM 2065 CD ARG A 124 -5.762 7.519 6.637 1.00 54.12 C ATOM 2066 NE ARG A 124 -4.722 8.231 7.381 1.00 14.02 N ATOM 2067 CZ ARG A 124 -4.206 7.815 8.509 1.00 73.30 C ATOM 2068 NH1 ARG A 124 -4.571 6.686 9.027 1.00 71.31 N ATOM 2069 NH2 ARG A 124 -3.297 8.514 9.101 1.00 53.40 N ATOM 0 H ARG A 124 -8.729 6.037 3.010 1.00 75.24 H new ATOM 0 HA ARG A 124 -8.294 7.498 5.552 1.00 72.10 H new ATOM 0 HB2 ARG A 124 -6.568 5.827 4.656 1.00 63.22 H new ATOM 0 HB3 ARG A 124 -6.348 6.895 3.284 1.00 63.22 H new ATOM 0 HG2 ARG A 124 -4.585 7.343 4.847 1.00 22.12 H new ATOM 0 HG3 ARG A 124 -5.667 8.722 4.859 1.00 22.12 H new ATOM 0 HD2 ARG A 124 -6.741 7.899 6.928 1.00 54.12 H new ATOM 0 HD3 ARG A 124 -5.739 6.462 6.902 1.00 54.12 H new ATOM 0 HE ARG A 124 -4.377 9.110 6.995 1.00 14.02 H new ATOM 0 HH11 ARG A 124 -5.268 6.110 8.555 1.00 71.31 H new ATOM 0 HH12 ARG A 124 -4.161 6.372 9.907 1.00 71.31 H new ATOM 0 HH21 ARG A 124 -2.980 9.392 8.690 1.00 53.40 H new ATOM 0 HH22 ARG A 124 -2.895 8.189 9.980 1.00 53.40 H new ATOM 2083 N GLY A 125 -8.151 8.770 2.490 1.00 33.40 N ATOM 2084 CA GLY A 125 -8.323 10.012 1.736 1.00 22.31 C ATOM 2085 C GLY A 125 -7.145 10.977 1.874 1.00 21.45 C ATOM 2086 O GLY A 125 -7.321 12.132 2.260 1.00 4.12 O ATOM 0 H GLY A 125 -7.971 7.948 1.914 1.00 33.40 H new ATOM 0 HA2 GLY A 125 -8.464 9.772 0.682 1.00 22.31 H new ATOM 0 HA3 GLY A 125 -9.232 10.510 2.074 1.00 22.31 H new ATOM 2090 N LEU A 126 -5.938 10.505 1.560 1.00 52.24 N ATOM 2091 CA LEU A 126 -4.736 11.347 1.638 1.00 23.34 C ATOM 2092 C LEU A 126 -4.339 11.880 0.259 1.00 42.14 C ATOM 2093 O LEU A 126 -4.351 13.090 0.020 1.00 3.22 O ATOM 2094 CB LEU A 126 -3.565 10.556 2.239 1.00 43.31 C ATOM 2095 CG LEU A 126 -3.748 10.115 3.695 1.00 50.12 C ATOM 2096 CD1 LEU A 126 -2.604 9.207 4.131 1.00 54.04 C ATOM 2097 CD2 LEU A 126 -3.860 11.325 4.622 1.00 74.10 C ATOM 0 H LEU A 126 -5.763 9.549 1.250 1.00 52.24 H new ATOM 0 HA LEU A 126 -4.970 12.194 2.282 1.00 23.34 H new ATOM 0 HB2 LEU A 126 -3.395 9.670 1.627 1.00 43.31 H new ATOM 0 HB3 LEU A 126 -2.664 11.166 2.173 1.00 43.31 H new ATOM 0 HG LEU A 126 -4.678 9.550 3.762 1.00 50.12 H new ATOM 0 HD11 LEU A 126 -2.754 8.906 5.168 1.00 54.04 H new ATOM 0 HD12 LEU A 126 -2.580 8.322 3.496 1.00 54.04 H new ATOM 0 HD13 LEU A 126 -1.659 9.744 4.042 1.00 54.04 H new ATOM 0 HD21 LEU A 126 -3.989 10.985 5.650 1.00 74.10 H new ATOM 0 HD22 LEU A 126 -2.952 11.924 4.549 1.00 74.10 H new ATOM 0 HD23 LEU A 126 -4.718 11.930 4.329 1.00 74.10 H new ATOM 2109 N SER A 127 -4.007 10.972 -0.654 1.00 15.44 N ATOM 2110 CA SER A 127 -3.504 11.356 -1.979 1.00 0.22 C ATOM 2111 C SER A 127 -4.602 11.330 -3.054 1.00 5.13 C ATOM 2112 O SER A 127 -5.677 10.755 -2.856 1.00 74.33 O ATOM 2113 CB SER A 127 -2.360 10.424 -2.394 1.00 34.23 C ATOM 2114 OG SER A 127 -2.807 9.092 -2.595 1.00 72.41 O ATOM 0 H SER A 127 -4.075 9.965 -0.506 1.00 15.44 H new ATOM 0 HA SER A 127 -3.144 12.382 -1.900 1.00 0.22 H new ATOM 0 HB2 SER A 127 -1.904 10.796 -3.311 1.00 34.23 H new ATOM 0 HB3 SER A 127 -1.586 10.435 -1.626 1.00 34.23 H new ATOM 0 HG SER A 127 -3.075 8.704 -1.736 1.00 72.41 H new ATOM 2120 N ASN A 128 -4.328 11.974 -4.194 1.00 5.21 N ATOM 2121 CA ASN A 128 -5.259 11.978 -5.332 1.00 10.41 C ATOM 2122 C ASN A 128 -4.599 11.385 -6.596 1.00 21.41 C ATOM 2123 O ASN A 128 -3.383 11.488 -6.783 1.00 1.21 O ATOM 2124 CB ASN A 128 -5.739 13.402 -5.649 1.00 74.12 C ATOM 2125 CG ASN A 128 -6.019 14.230 -4.408 1.00 54.22 C ATOM 2126 OD1 ASN A 128 -7.128 14.241 -3.882 1.00 43.22 O ATOM 2127 ND2 ASN A 128 -5.018 14.943 -3.938 1.00 34.21 N ATOM 0 H ASN A 128 -3.469 12.500 -4.355 1.00 5.21 H new ATOM 0 HA ASN A 128 -6.112 11.362 -5.046 1.00 10.41 H new ATOM 0 HB2 ASN A 128 -4.984 13.907 -6.252 1.00 74.12 H new ATOM 0 HB3 ASN A 128 -6.645 13.347 -6.253 1.00 74.12 H new ATOM 0 HD21 ASN A 128 -5.151 15.527 -3.113 1.00 34.21 H new ATOM 0 HD22 ASN A 128 -4.109 14.911 -4.399 1.00 34.21 H new ATOM 2134 N PRO A 129 -5.405 10.764 -7.482 1.00 63.10 N ATOM 2135 CA PRO A 129 -4.933 10.219 -8.771 1.00 40.15 C ATOM 2136 C PRO A 129 -4.004 11.169 -9.561 1.00 21.45 C ATOM 2137 O PRO A 129 -2.999 10.740 -10.135 1.00 42.10 O ATOM 2138 CB PRO A 129 -6.233 10.005 -9.553 1.00 50.30 C ATOM 2139 CG PRO A 129 -7.295 9.808 -8.521 1.00 54.12 C ATOM 2140 CD PRO A 129 -6.844 10.519 -7.272 1.00 44.41 C ATOM 0 HA PRO A 129 -4.331 9.324 -8.613 1.00 40.15 H new ATOM 0 HB2 PRO A 129 -6.456 10.864 -10.186 1.00 50.30 H new ATOM 0 HB3 PRO A 129 -6.158 9.137 -10.209 1.00 50.30 H new ATOM 0 HG2 PRO A 129 -8.247 10.209 -8.868 1.00 54.12 H new ATOM 0 HG3 PRO A 129 -7.448 8.747 -8.325 1.00 54.12 H new ATOM 0 HD2 PRO A 129 -7.388 11.453 -7.129 1.00 44.41 H new ATOM 0 HD3 PRO A 129 -7.017 9.910 -6.385 1.00 44.41 H new ATOM 2148 N ASN A 130 -4.354 12.456 -9.597 1.00 21.54 N ATOM 2149 CA ASN A 130 -3.605 13.448 -10.383 1.00 44.45 C ATOM 2150 C ASN A 130 -2.166 13.633 -9.873 1.00 53.31 C ATOM 2151 O ASN A 130 -1.207 13.384 -10.610 1.00 51.01 O ATOM 2152 CB ASN A 130 -4.349 14.790 -10.396 1.00 30.22 C ATOM 2153 CG ASN A 130 -5.681 14.717 -11.127 1.00 73.41 C ATOM 2154 OD1 ASN A 130 -5.745 13.928 -12.180 1.00 51.04 O flip ATOM 2155 ND2 ASN A 130 -6.646 15.378 -10.755 1.00 1.33 N flip ATOM 0 H ASN A 130 -5.152 12.840 -9.091 1.00 21.54 H new ATOM 0 HA ASN A 130 -3.536 13.067 -11.402 1.00 44.45 H new ATOM 0 HB2 ASN A 130 -4.520 15.116 -9.370 1.00 30.22 H new ATOM 0 HB3 ASN A 130 -3.721 15.544 -10.869 1.00 30.22 H new ATOM 0 HD21 ASN A 130 -6.566 15.980 -9.936 1.00 1.33 H new ATOM 0 HD22 ASN A 130 -7.528 15.325 -11.265 1.00 1.33 H new ATOM 2162 N GLU A 131 -2.014 14.062 -8.617 1.00 22.42 N ATOM 2163 CA GLU A 131 -0.681 14.255 -8.025 1.00 65.22 C ATOM 2164 C GLU A 131 0.147 12.958 -8.092 1.00 2.53 C ATOM 2165 O GLU A 131 1.368 12.992 -8.265 1.00 11.33 O ATOM 2166 CB GLU A 131 -0.799 14.733 -6.567 1.00 24.41 C ATOM 2167 CG GLU A 131 -1.345 13.683 -5.606 1.00 70.03 C ATOM 2168 CD GLU A 131 -1.361 14.156 -4.162 1.00 24.34 C ATOM 2169 OE1 GLU A 131 -0.281 14.486 -3.623 1.00 24.42 O ATOM 2170 OE2 GLU A 131 -2.448 14.208 -3.563 1.00 30.20 O ATOM 0 H GLU A 131 -2.789 14.282 -7.992 1.00 22.42 H new ATOM 0 HA GLU A 131 -0.166 15.021 -8.605 1.00 65.22 H new ATOM 0 HB2 GLU A 131 0.184 15.050 -6.220 1.00 24.41 H new ATOM 0 HB3 GLU A 131 -1.446 15.610 -6.535 1.00 24.41 H new ATOM 0 HG2 GLU A 131 -2.358 13.414 -5.906 1.00 70.03 H new ATOM 0 HG3 GLU A 131 -0.740 12.779 -5.681 1.00 70.03 H new ATOM 2177 N LEU A 132 -0.538 11.818 -7.967 1.00 35.44 N ATOM 2178 CA LEU A 132 0.103 10.499 -8.041 1.00 61.32 C ATOM 2179 C LEU A 132 0.891 10.317 -9.346 1.00 73.03 C ATOM 2180 O LEU A 132 2.045 9.881 -9.331 1.00 4.54 O ATOM 2181 CB LEU A 132 -0.958 9.394 -7.911 1.00 33.33 C ATOM 2182 CG LEU A 132 -0.430 7.949 -8.004 1.00 23.13 C ATOM 2183 CD1 LEU A 132 0.585 7.664 -6.900 1.00 1.15 C ATOM 2184 CD2 LEU A 132 -1.584 6.949 -7.947 1.00 54.11 C ATOM 0 H LEU A 132 -1.546 11.781 -7.813 1.00 35.44 H new ATOM 0 HA LEU A 132 0.811 10.429 -7.215 1.00 61.32 H new ATOM 0 HB2 LEU A 132 -1.467 9.515 -6.955 1.00 33.33 H new ATOM 0 HB3 LEU A 132 -1.706 9.539 -8.691 1.00 33.33 H new ATOM 0 HG LEU A 132 0.076 7.836 -8.963 1.00 23.13 H new ATOM 0 HD11 LEU A 132 0.941 6.638 -6.989 1.00 1.15 H new ATOM 0 HD12 LEU A 132 1.427 8.350 -6.994 1.00 1.15 H new ATOM 0 HD13 LEU A 132 0.113 7.801 -5.927 1.00 1.15 H new ATOM 0 HD21 LEU A 132 -1.190 5.935 -8.014 1.00 54.11 H new ATOM 0 HD22 LEU A 132 -2.122 7.068 -7.007 1.00 54.11 H new ATOM 0 HD23 LEU A 132 -2.264 7.130 -8.780 1.00 54.11 H new ATOM 2196 N GLN A 133 0.264 10.659 -10.472 1.00 3.13 N ATOM 2197 CA GLN A 133 0.900 10.514 -11.786 1.00 11.30 C ATOM 2198 C GLN A 133 2.201 11.329 -11.869 1.00 32.01 C ATOM 2199 O GLN A 133 3.201 10.864 -12.422 1.00 60.32 O ATOM 2200 CB GLN A 133 -0.070 10.939 -12.899 1.00 33.22 C ATOM 2201 CG GLN A 133 0.477 10.743 -14.312 1.00 70.53 C ATOM 2202 CD GLN A 133 0.859 9.297 -14.600 1.00 12.15 C ATOM 2203 OE1 GLN A 133 0.040 8.501 -15.048 1.00 64.31 O ATOM 2204 NE2 GLN A 133 2.106 8.947 -14.356 1.00 32.31 N ATOM 0 H GLN A 133 -0.682 11.038 -10.503 1.00 3.13 H new ATOM 0 HA GLN A 133 1.154 9.463 -11.922 1.00 11.30 H new ATOM 0 HB2 GLN A 133 -0.995 10.371 -12.797 1.00 33.22 H new ATOM 0 HB3 GLN A 133 -0.325 11.990 -12.762 1.00 33.22 H new ATOM 0 HG2 GLN A 133 -0.271 11.067 -15.035 1.00 70.53 H new ATOM 0 HG3 GLN A 133 1.351 11.380 -14.450 1.00 70.53 H new ATOM 0 HE21 GLN A 133 2.764 9.631 -13.983 1.00 32.31 H new ATOM 0 HE22 GLN A 133 2.413 7.992 -14.540 1.00 32.31 H new ATOM 2213 N ALA A 134 2.181 12.538 -11.310 1.00 75.34 N ATOM 2214 CA ALA A 134 3.373 13.397 -11.271 1.00 52.44 C ATOM 2215 C ALA A 134 4.485 12.773 -10.409 1.00 51.24 C ATOM 2216 O ALA A 134 5.656 12.766 -10.794 1.00 22.43 O ATOM 2217 CB ALA A 134 3.007 14.784 -10.750 1.00 65.45 C ATOM 0 H ALA A 134 1.354 12.949 -10.877 1.00 75.34 H new ATOM 0 HA ALA A 134 3.755 13.491 -12.288 1.00 52.44 H new ATOM 0 HB1 ALA A 134 3.899 15.411 -10.726 1.00 65.45 H new ATOM 0 HB2 ALA A 134 2.264 15.235 -11.408 1.00 65.45 H new ATOM 0 HB3 ALA A 134 2.597 14.698 -9.744 1.00 65.45 H new ATOM 2223 N ALA A 135 4.103 12.249 -9.246 1.00 14.34 N ATOM 2224 CA ALA A 135 5.040 11.568 -8.343 1.00 44.43 C ATOM 2225 C ALA A 135 5.784 10.428 -9.056 1.00 42.21 C ATOM 2226 O ALA A 135 7.019 10.368 -9.065 1.00 63.44 O ATOM 2227 CB ALA A 135 4.278 11.021 -7.140 1.00 4.01 C ATOM 0 H ALA A 135 3.144 12.282 -8.901 1.00 14.34 H new ATOM 0 HA ALA A 135 5.784 12.293 -8.013 1.00 44.43 H new ATOM 0 HB1 ALA A 135 4.972 10.515 -6.469 1.00 4.01 H new ATOM 0 HB2 ALA A 135 3.795 11.843 -6.611 1.00 4.01 H new ATOM 0 HB3 ALA A 135 3.521 10.314 -7.480 1.00 4.01 H new ATOM 2233 N ILE A 136 5.011 9.531 -9.660 1.00 44.41 N ATOM 2234 CA ILE A 136 5.555 8.392 -10.402 1.00 25.03 C ATOM 2235 C ILE A 136 6.424 8.855 -11.578 1.00 2.04 C ATOM 2236 O ILE A 136 7.527 8.346 -11.791 1.00 44.24 O ATOM 2237 CB ILE A 136 4.411 7.501 -10.937 1.00 63.51 C ATOM 2238 CG1 ILE A 136 3.490 7.084 -9.782 1.00 23.32 C ATOM 2239 CG2 ILE A 136 4.966 6.271 -11.658 1.00 24.42 C ATOM 2240 CD1 ILE A 136 2.162 6.522 -10.236 1.00 71.20 C ATOM 0 H ILE A 136 3.992 9.570 -9.651 1.00 44.41 H new ATOM 0 HA ILE A 136 6.175 7.819 -9.712 1.00 25.03 H new ATOM 0 HB ILE A 136 3.832 8.076 -11.660 1.00 63.51 H new ATOM 0 HG12 ILE A 136 4.001 6.338 -9.173 1.00 23.32 H new ATOM 0 HG13 ILE A 136 3.309 7.948 -9.143 1.00 23.32 H new ATOM 0 HG21 ILE A 136 4.141 5.661 -12.025 1.00 24.42 H new ATOM 0 HG22 ILE A 136 5.583 6.589 -12.498 1.00 24.42 H new ATOM 0 HG23 ILE A 136 5.570 5.685 -10.965 1.00 24.42 H new ATOM 0 HD11 ILE A 136 1.565 6.250 -9.365 1.00 71.20 H new ATOM 0 HD12 ILE A 136 1.630 7.273 -10.820 1.00 71.20 H new ATOM 0 HD13 ILE A 136 2.332 5.638 -10.850 1.00 71.20 H new ATOM 2252 N ASP A 137 5.918 9.831 -12.330 1.00 11.42 N ATOM 2253 CA ASP A 137 6.631 10.380 -13.485 1.00 10.31 C ATOM 2254 C ASP A 137 8.027 10.890 -13.082 1.00 61.54 C ATOM 2255 O ASP A 137 9.028 10.570 -13.728 1.00 52.12 O ATOM 2256 CB ASP A 137 5.802 11.508 -14.110 1.00 4.12 C ATOM 2257 CG ASP A 137 6.425 12.057 -15.380 1.00 72.12 C ATOM 2258 OD1 ASP A 137 6.541 11.297 -16.363 1.00 13.33 O ATOM 2259 OD2 ASP A 137 6.782 13.251 -15.409 1.00 53.55 O ATOM 0 H ASP A 137 5.009 10.262 -12.159 1.00 11.42 H new ATOM 0 HA ASP A 137 6.770 9.588 -14.221 1.00 10.31 H new ATOM 0 HB2 ASP A 137 4.801 11.138 -14.332 1.00 4.12 H new ATOM 0 HB3 ASP A 137 5.690 12.315 -13.386 1.00 4.12 H new ATOM 2264 N SER A 138 8.085 11.658 -11.996 1.00 73.25 N ATOM 2265 CA SER A 138 9.358 12.177 -11.478 1.00 42.10 C ATOM 2266 C SER A 138 10.312 11.032 -11.096 1.00 53.20 C ATOM 2267 O SER A 138 11.503 11.073 -11.409 1.00 51.44 O ATOM 2268 CB SER A 138 9.118 13.087 -10.264 1.00 72.34 C ATOM 2269 OG SER A 138 10.326 13.692 -9.824 1.00 4.41 O ATOM 0 H SER A 138 7.267 11.937 -11.454 1.00 73.25 H new ATOM 0 HA SER A 138 9.824 12.761 -12.272 1.00 42.10 H new ATOM 0 HB2 SER A 138 8.395 13.860 -10.524 1.00 72.34 H new ATOM 0 HB3 SER A 138 8.683 12.505 -9.451 1.00 72.34 H new ATOM 0 HG SER A 138 10.142 14.266 -9.052 1.00 4.41 H new ATOM 2275 N ASN A 139 9.777 9.993 -10.442 1.00 3.31 N ATOM 2276 CA ASN A 139 10.579 8.814 -10.076 1.00 44.40 C ATOM 2277 C ASN A 139 11.113 8.085 -11.325 1.00 42.14 C ATOM 2278 O ASN A 139 12.221 7.546 -11.316 1.00 4.14 O ATOM 2279 CB ASN A 139 9.765 7.833 -9.217 1.00 64.13 C ATOM 2280 CG ASN A 139 9.595 8.285 -7.772 1.00 13.23 C ATOM 2281 OD1 ASN A 139 9.502 9.580 -7.542 1.00 32.04 O flip ATOM 2282 ND2 ASN A 139 9.532 7.462 -6.864 1.00 23.51 N flip ATOM 0 H ASN A 139 8.799 9.943 -10.156 1.00 3.31 H new ATOM 0 HA ASN A 139 11.427 9.175 -9.494 1.00 44.40 H new ATOM 0 HB2 ASN A 139 8.781 7.700 -9.666 1.00 64.13 H new ATOM 0 HB3 ASN A 139 10.255 6.859 -9.229 1.00 64.13 H new ATOM 0 HD21 ASN A 139 9.607 6.466 -7.072 1.00 23.51 H new ATOM 0 HD22 ASN A 139 9.404 7.774 -5.901 1.00 23.51 H new ATOM 2289 N ARG A 140 10.314 8.061 -12.393 1.00 10.42 N ATOM 2290 CA ARG A 140 10.745 7.452 -13.659 1.00 52.34 C ATOM 2291 C ARG A 140 11.898 8.252 -14.280 1.00 31.35 C ATOM 2292 O ARG A 140 12.834 7.684 -14.838 1.00 0.44 O ATOM 2293 CB ARG A 140 9.577 7.366 -14.657 1.00 14.43 C ATOM 2294 CG ARG A 140 8.395 6.534 -14.168 1.00 61.23 C ATOM 2295 CD ARG A 140 7.335 6.348 -15.255 1.00 61.12 C ATOM 2296 NE ARG A 140 6.854 7.620 -15.796 1.00 53.12 N ATOM 2297 CZ ARG A 140 5.862 7.733 -16.643 1.00 33.44 C ATOM 2298 NH1 ARG A 140 5.206 6.689 -17.042 1.00 75.33 N ATOM 2299 NH2 ARG A 140 5.527 8.896 -17.089 1.00 5.11 N ATOM 0 H ARG A 140 9.372 8.452 -12.411 1.00 10.42 H new ATOM 0 HA ARG A 140 11.091 6.442 -13.439 1.00 52.34 H new ATOM 0 HB2 ARG A 140 9.229 8.375 -14.880 1.00 14.43 H new ATOM 0 HB3 ARG A 140 9.943 6.942 -15.592 1.00 14.43 H new ATOM 0 HG2 ARG A 140 8.751 5.558 -13.838 1.00 61.23 H new ATOM 0 HG3 ARG A 140 7.945 7.019 -13.302 1.00 61.23 H new ATOM 0 HD2 ARG A 140 7.751 5.748 -16.064 1.00 61.12 H new ATOM 0 HD3 ARG A 140 6.493 5.790 -14.845 1.00 61.12 H new ATOM 0 HE ARG A 140 7.322 8.474 -15.493 1.00 53.12 H new ATOM 0 HH11 ARG A 140 5.460 5.764 -16.696 1.00 75.33 H new ATOM 0 HH12 ARG A 140 4.435 6.792 -17.702 1.00 75.33 H new ATOM 0 HH21 ARG A 140 6.035 9.726 -16.782 1.00 5.11 H new ATOM 0 HH22 ARG A 140 4.754 8.986 -17.749 1.00 5.11 H new ATOM 2313 N ARG A 141 11.817 9.573 -14.162 1.00 72.03 N ATOM 2314 CA ARG A 141 12.847 10.478 -14.686 1.00 52.55 C ATOM 2315 C ARG A 141 14.196 10.283 -13.966 1.00 51.42 C ATOM 2316 O ARG A 141 15.259 10.530 -14.540 1.00 55.01 O ATOM 2317 CB ARG A 141 12.357 11.930 -14.546 1.00 12.20 C ATOM 2318 CG ARG A 141 13.303 12.990 -15.108 1.00 54.42 C ATOM 2319 CD ARG A 141 12.653 14.374 -15.095 1.00 4.33 C ATOM 2320 NE ARG A 141 13.563 15.431 -15.535 1.00 63.54 N ATOM 2321 CZ ARG A 141 13.470 16.058 -16.679 1.00 33.25 C ATOM 2322 NH1 ARG A 141 12.619 15.677 -17.578 1.00 61.03 N ATOM 2323 NH2 ARG A 141 14.251 17.053 -16.934 1.00 13.40 N ATOM 0 H ARG A 141 11.041 10.050 -13.703 1.00 72.03 H new ATOM 0 HA ARG A 141 13.014 10.247 -15.738 1.00 52.55 H new ATOM 0 HB2 ARG A 141 11.394 12.022 -15.048 1.00 12.20 H new ATOM 0 HB3 ARG A 141 12.187 12.140 -13.490 1.00 12.20 H new ATOM 0 HG2 ARG A 141 14.221 13.011 -14.520 1.00 54.42 H new ATOM 0 HG3 ARG A 141 13.584 12.727 -16.128 1.00 54.42 H new ATOM 0 HD2 ARG A 141 11.775 14.364 -15.741 1.00 4.33 H new ATOM 0 HD3 ARG A 141 12.304 14.597 -14.087 1.00 4.33 H new ATOM 0 HE ARG A 141 14.322 15.697 -14.907 1.00 63.54 H new ATOM 0 HH11 ARG A 141 12.010 14.878 -17.398 1.00 61.03 H new ATOM 0 HH12 ARG A 141 12.557 16.176 -18.466 1.00 61.03 H new ATOM 0 HH21 ARG A 141 14.940 17.350 -16.244 1.00 13.40 H new ATOM 0 HH22 ARG A 141 14.179 17.542 -17.826 1.00 13.40 H new ATOM 2337 N GLU A 142 14.148 9.830 -12.712 1.00 62.31 N ATOM 2338 CA GLU A 142 15.368 9.579 -11.929 1.00 3.22 C ATOM 2339 C GLU A 142 16.230 8.460 -12.540 1.00 3.11 C ATOM 2340 O GLU A 142 17.326 8.707 -13.051 1.00 42.11 O ATOM 2341 CB GLU A 142 15.024 9.198 -10.481 1.00 0.55 C ATOM 2342 CG GLU A 142 14.260 10.260 -9.702 1.00 72.41 C ATOM 2343 CD GLU A 142 14.034 9.847 -8.255 1.00 75.03 C ATOM 2344 OE1 GLU A 142 13.191 8.961 -8.009 1.00 23.34 O ATOM 2345 OE2 GLU A 142 14.724 10.386 -7.357 1.00 64.41 O ATOM 0 H GLU A 142 13.281 9.628 -12.214 1.00 62.31 H new ATOM 0 HA GLU A 142 15.938 10.508 -11.944 1.00 3.22 H new ATOM 0 HB2 GLU A 142 14.434 8.282 -10.492 1.00 0.55 H new ATOM 0 HB3 GLU A 142 15.949 8.974 -9.950 1.00 0.55 H new ATOM 0 HG2 GLU A 142 14.813 11.199 -9.730 1.00 72.41 H new ATOM 0 HG3 GLU A 142 13.299 10.442 -10.182 1.00 72.41 H new ATOM 2352 N GLY A 143 15.723 7.227 -12.484 1.00 73.13 N ATOM 2353 CA GLY A 143 16.523 6.061 -12.863 1.00 12.21 C ATOM 2354 C GLY A 143 16.081 5.387 -14.161 1.00 54.41 C ATOM 2355 O GLY A 143 15.929 4.163 -14.206 1.00 42.32 O ATOM 0 H GLY A 143 14.773 7.011 -12.183 1.00 73.13 H new ATOM 0 HA2 GLY A 143 17.564 6.367 -12.963 1.00 12.21 H new ATOM 0 HA3 GLY A 143 16.482 5.330 -12.056 1.00 12.21 H new ATOM 2359 N ARG A 144 15.858 6.182 -15.209 1.00 1.51 N ATOM 2360 CA ARG A 144 15.570 5.653 -16.552 1.00 75.00 C ATOM 2361 C ARG A 144 16.151 6.572 -17.644 1.00 35.23 C ATOM 2362 O ARG A 144 16.995 7.430 -17.374 1.00 1.55 O ATOM 2363 CB ARG A 144 14.053 5.493 -16.785 1.00 5.11 C ATOM 2364 CG ARG A 144 13.338 4.545 -15.817 1.00 61.43 C ATOM 2365 CD ARG A 144 12.140 3.866 -16.477 1.00 53.11 C ATOM 2366 NE ARG A 144 11.369 4.790 -17.311 1.00 30.42 N ATOM 2367 CZ ARG A 144 11.269 4.691 -18.613 1.00 11.04 C ATOM 2368 NH1 ARG A 144 11.882 3.745 -19.254 1.00 44.44 N ATOM 2369 NH2 ARG A 144 10.567 5.553 -19.271 1.00 61.11 N ATOM 0 H ARG A 144 15.871 7.201 -15.157 1.00 1.51 H new ATOM 0 HA ARG A 144 16.042 4.672 -16.613 1.00 75.00 H new ATOM 0 HB2 ARG A 144 13.586 6.476 -16.717 1.00 5.11 H new ATOM 0 HB3 ARG A 144 13.894 5.135 -17.802 1.00 5.11 H new ATOM 0 HG2 ARG A 144 14.038 3.787 -15.465 1.00 61.43 H new ATOM 0 HG3 ARG A 144 13.004 5.102 -14.941 1.00 61.43 H new ATOM 0 HD2 ARG A 144 12.488 3.033 -17.088 1.00 53.11 H new ATOM 0 HD3 ARG A 144 11.492 3.448 -15.707 1.00 53.11 H new ATOM 0 HE ARG A 144 10.880 5.557 -16.850 1.00 30.42 H new ATOM 0 HH11 ARG A 144 12.449 3.068 -18.744 1.00 44.44 H new ATOM 0 HH12 ARG A 144 11.797 3.678 -20.268 1.00 44.44 H new ATOM 0 HH21 ARG A 144 10.092 6.308 -18.776 1.00 61.11 H new ATOM 0 HH22 ARG A 144 10.487 5.478 -20.285 1.00 61.11 H new ATOM 2383 N ARG A 145 15.699 6.369 -18.882 1.00 53.45 N ATOM 2384 CA ARG A 145 16.102 7.204 -20.021 1.00 32.01 C ATOM 2385 C ARG A 145 14.876 7.840 -20.721 1.00 14.24 C ATOM 2386 O ARG A 145 14.401 7.283 -21.744 1.00 36.35 O ATOM 2387 CB ARG A 145 16.921 6.365 -21.017 1.00 13.30 C ATOM 2388 CG ARG A 145 16.369 4.953 -21.236 1.00 54.04 C ATOM 2389 CD ARG A 145 16.800 4.379 -22.579 1.00 32.00 C ATOM 2390 NE ARG A 145 16.193 5.104 -23.694 1.00 64.11 N ATOM 2391 CZ ARG A 145 16.128 4.654 -24.918 1.00 2.21 C ATOM 2392 NH1 ARG A 145 16.637 3.505 -25.233 1.00 13.34 N ATOM 2393 NH2 ARG A 145 15.548 5.361 -25.830 1.00 60.33 N ATOM 2394 OXT ARG A 145 14.387 8.884 -20.234 1.00 36.35 O ATOM 0 H ARG A 145 15.046 5.625 -19.126 1.00 53.45 H new ATOM 0 HA ARG A 145 16.721 8.019 -19.646 1.00 32.01 H new ATOM 0 HB2 ARG A 145 16.954 6.885 -21.975 1.00 13.30 H new ATOM 0 HB3 ARG A 145 17.948 6.292 -20.658 1.00 13.30 H new ATOM 0 HG2 ARG A 145 16.713 4.300 -20.434 1.00 54.04 H new ATOM 0 HG3 ARG A 145 15.281 4.976 -21.183 1.00 54.04 H new ATOM 0 HD2 ARG A 145 17.886 4.424 -22.663 1.00 32.00 H new ATOM 0 HD3 ARG A 145 16.520 3.327 -22.633 1.00 32.00 H new ATOM 0 HE ARG A 145 15.794 6.023 -23.503 1.00 64.11 H new ATOM 0 HH11 ARG A 145 17.097 2.938 -24.520 1.00 13.34 H new ATOM 0 HH12 ARG A 145 16.578 3.167 -26.194 1.00 13.34 H new ATOM 0 HH21 ARG A 145 15.143 6.267 -25.593 1.00 60.33 H new ATOM 0 HH22 ARG A 145 15.495 5.014 -26.788 1.00 60.33 H new TER 2408 ARG A 145