USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 938 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 75 ASN : amide:sc= 0.266 K(o=0.56,f=-0.14) USER MOD Set 1.2: A 92 ASN : amide:sc= 0.293 K(o=0.56,f=-0.012) USER MOD Set 2.1: A 64 LYS NZ :NH3+ -160:sc= 0.595 (180deg=0) USER MOD Set 2.2: A 67 GLN : amide:sc= -2.58! K(o=-2!,f=-1.1) USER MOD Set 3.1: A 44 MET CE :methyl 161:sc= -4.51! (180deg=-5.64!) USER MOD Set 3.2: A 57 TYR OH : rot -78:sc= 0.696 USER MOD Set 4.1: A 31 ASN : amide:sc= 0.683 K(o=1.5,f=-1.2!) USER MOD Set 4.2: A 33 SER OG : rot 112:sc= 0.846 USER MOD Set 5.1: A 16 CYS SG : rot 180:sc= 0 USER MOD Set 5.2: A 32 THR OG1 : rot -44:sc= 0.0627 USER MOD Set 6.1: A 12 THR OG1 : rot 180:sc= 0.252 USER MOD Set 6.2: A 14 ASN : amide:sc= 0.35 K(o=0.6,f=1.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.994 X(o=-0.99,f=-1.1) USER MOD Single : A 4 HIS : no HD1:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0989 X(o=-0.099,f=-0.022) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0.0291 K(o=0.029,f=-0.55) USER MOD Single : A 9 SER OG : rot 180:sc= 0.11 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -141:sc= -0.0937 (180deg=-0.583) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -140:sc= 0.0466 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 37 GLN : amide:sc= -0.22 X(o=-0.22,f=0.26) USER MOD Single : A 39 MET CE :methyl -144:sc= -1.48 (180deg=-3.82!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 69:sc= 0.31 USER MOD Single : A 56 LYS NZ :NH3+ 165:sc= 0.915 (180deg=0.635) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -106:sc= 0.158 USER MOD Single : A 68 THR OG1 : rot 32:sc= 0.0235 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 28:sc= 0.187 USER MOD Single : A 81 SER OG : rot 180:sc= 0.979 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -169:sc=-0.00275 (180deg=-0.125) USER MOD Single : A 90 ASN : amide:sc= -0.806 K(o=-0.81,f=0) USER MOD Single : A 91 GLN : amide:sc= -3.02! C(o=-3!,f=-6.6!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0302) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.591 K(o=-0.59,f=-4.4!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 114 GLN : amide:sc= -0.0125 K(o=-0.013,f=-0.77) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot -173:sc= 0.828 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot -46:sc= 1.02 USER MOD Single : A 122 THR OG1 : rot 53:sc= 0.611 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.577 -8.938 -25.102 1.00 45.14 N ATOM 2 CA MET A 1 -21.261 -9.909 -24.019 1.00 45.02 C ATOM 3 C MET A 1 -19.760 -9.933 -23.698 1.00 41.55 C ATOM 4 O MET A 1 -18.940 -10.314 -24.538 1.00 74.23 O ATOM 5 CB MET A 1 -21.735 -11.320 -24.405 1.00 73.33 C ATOM 6 CG MET A 1 -23.245 -11.497 -24.338 1.00 53.24 C ATOM 7 SD MET A 1 -23.887 -11.260 -22.668 1.00 73.10 S ATOM 8 CE MET A 1 -25.641 -11.521 -22.934 1.00 13.12 C ATOM 0 H1 MET A 1 -22.600 -8.950 -25.291 1.00 45.14 H new ATOM 0 H2 MET A 1 -21.290 -7.983 -24.806 1.00 45.14 H new ATOM 0 H3 MET A 1 -21.062 -9.202 -25.966 1.00 45.14 H new ATOM 0 HA MET A 1 -21.792 -9.583 -23.125 1.00 45.02 H new ATOM 0 HB2 MET A 1 -21.396 -11.544 -25.417 1.00 73.33 H new ATOM 0 HB3 MET A 1 -21.263 -12.046 -23.743 1.00 73.33 H new ATOM 0 HG2 MET A 1 -23.722 -10.787 -25.013 1.00 53.24 H new ATOM 0 HG3 MET A 1 -23.508 -12.495 -24.688 1.00 53.24 H new ATOM 0 HE1 MET A 1 -26.173 -11.407 -21.990 1.00 13.12 H new ATOM 0 HE2 MET A 1 -26.013 -10.789 -23.651 1.00 13.12 H new ATOM 0 HE3 MET A 1 -25.804 -12.526 -23.324 1.00 13.12 H new ATOM 20 N GLY A 2 -19.412 -9.518 -22.482 1.00 64.42 N ATOM 21 CA GLY A 2 -18.027 -9.573 -22.026 1.00 54.20 C ATOM 22 C GLY A 2 -17.912 -10.066 -20.587 1.00 32.41 C ATOM 23 O GLY A 2 -18.474 -11.101 -20.233 1.00 13.35 O ATOM 0 H GLY A 2 -20.068 -9.141 -21.798 1.00 64.42 H new ATOM 0 HA2 GLY A 2 -17.457 -10.232 -22.681 1.00 54.20 H new ATOM 0 HA3 GLY A 2 -17.581 -8.582 -22.105 1.00 54.20 H new ATOM 27 N HIS A 3 -17.187 -9.323 -19.753 1.00 20.53 N ATOM 28 CA HIS A 3 -17.023 -9.693 -18.341 1.00 11.22 C ATOM 29 C HIS A 3 -18.280 -9.336 -17.519 1.00 73.10 C ATOM 30 O HIS A 3 -18.703 -8.178 -17.479 1.00 10.34 O ATOM 31 CB HIS A 3 -15.776 -9.012 -17.750 1.00 53.11 C ATOM 32 CG HIS A 3 -15.835 -7.514 -17.757 1.00 21.12 C ATOM 33 ND1 HIS A 3 -15.571 -6.754 -18.873 1.00 73.42 N ATOM 34 CD2 HIS A 3 -16.133 -6.635 -16.772 1.00 43.52 C ATOM 35 CE1 HIS A 3 -15.706 -5.479 -18.579 1.00 71.10 C ATOM 36 NE2 HIS A 3 -16.048 -5.377 -17.313 1.00 42.32 N ATOM 0 H HIS A 3 -16.705 -8.466 -20.024 1.00 20.53 H new ATOM 0 HA HIS A 3 -16.888 -10.773 -18.289 1.00 11.22 H new ATOM 0 HB2 HIS A 3 -15.640 -9.355 -16.724 1.00 53.11 H new ATOM 0 HB3 HIS A 3 -14.899 -9.333 -18.312 1.00 53.11 H new ATOM 0 HD2 HIS A 3 -16.390 -6.878 -15.752 1.00 43.52 H new ATOM 0 HE1 HIS A 3 -15.561 -4.655 -19.262 1.00 71.10 H new ATOM 0 HE2 HIS A 3 -16.222 -4.504 -16.814 1.00 42.32 H new ATOM 45 N HIS A 4 -18.870 -10.337 -16.868 1.00 42.40 N ATOM 46 CA HIS A 4 -20.092 -10.141 -16.072 1.00 52.12 C ATOM 47 C HIS A 4 -19.817 -9.334 -14.792 1.00 4.02 C ATOM 48 O HIS A 4 -20.660 -8.550 -14.352 1.00 72.22 O ATOM 49 CB HIS A 4 -20.722 -11.498 -15.727 1.00 70.12 C ATOM 50 CG HIS A 4 -21.247 -12.238 -16.921 1.00 62.42 C ATOM 51 ND1 HIS A 4 -22.563 -12.638 -17.043 1.00 44.21 N ATOM 52 CD2 HIS A 4 -20.630 -12.656 -18.055 1.00 22.54 C ATOM 53 CE1 HIS A 4 -22.728 -13.269 -18.187 1.00 72.34 C ATOM 54 NE2 HIS A 4 -21.576 -13.292 -18.819 1.00 44.41 N ATOM 0 H HIS A 4 -18.524 -11.297 -16.873 1.00 42.40 H new ATOM 0 HA HIS A 4 -20.793 -9.565 -16.676 1.00 52.12 H new ATOM 0 HB2 HIS A 4 -19.979 -12.117 -15.225 1.00 70.12 H new ATOM 0 HB3 HIS A 4 -21.537 -11.342 -15.020 1.00 70.12 H new ATOM 0 HD2 HIS A 4 -19.590 -12.515 -18.309 1.00 22.54 H new ATOM 0 HE1 HIS A 4 -23.653 -13.695 -18.545 1.00 72.34 H new ATOM 0 HE2 HIS A 4 -21.411 -13.715 -19.732 1.00 44.41 H new ATOM 63 N HIS A 5 -18.644 -9.551 -14.194 1.00 60.01 N ATOM 64 CA HIS A 5 -18.179 -8.761 -13.043 1.00 73.11 C ATOM 65 C HIS A 5 -19.131 -8.882 -11.831 1.00 74.31 C ATOM 66 O HIS A 5 -19.441 -7.895 -11.162 1.00 34.35 O ATOM 67 CB HIS A 5 -18.011 -7.288 -13.464 1.00 73.21 C ATOM 68 CG HIS A 5 -17.132 -6.485 -12.550 1.00 11.21 C ATOM 69 ND1 HIS A 5 -15.760 -6.453 -12.674 1.00 25.31 N ATOM 70 CD2 HIS A 5 -17.427 -5.675 -11.502 1.00 53.32 C ATOM 71 CE1 HIS A 5 -15.252 -5.663 -11.752 1.00 61.01 C ATOM 72 NE2 HIS A 5 -16.238 -5.179 -11.027 1.00 73.24 N ATOM 0 H HIS A 5 -17.989 -10.275 -14.489 1.00 60.01 H new ATOM 0 HA HIS A 5 -17.216 -9.160 -12.725 1.00 73.11 H new ATOM 0 HB2 HIS A 5 -17.596 -7.254 -14.471 1.00 73.21 H new ATOM 0 HB3 HIS A 5 -18.994 -6.820 -13.509 1.00 73.21 H new ATOM 0 HD2 HIS A 5 -18.412 -5.461 -11.114 1.00 53.32 H new ATOM 0 HE1 HIS A 5 -14.203 -5.448 -11.614 1.00 61.01 H new ATOM 0 HE2 HIS A 5 -16.135 -4.539 -10.240 1.00 73.24 H new ATOM 81 N HIS A 6 -19.580 -10.106 -11.544 1.00 21.44 N ATOM 82 CA HIS A 6 -20.445 -10.365 -10.381 1.00 23.14 C ATOM 83 C HIS A 6 -19.779 -11.324 -9.378 1.00 72.23 C ATOM 84 O HIS A 6 -19.525 -12.490 -9.683 1.00 12.42 O ATOM 85 CB HIS A 6 -21.808 -10.916 -10.826 1.00 73.25 C ATOM 86 CG HIS A 6 -22.714 -9.868 -11.410 1.00 51.42 C ATOM 87 ND1 HIS A 6 -23.012 -9.779 -12.753 1.00 3.05 N ATOM 88 CD2 HIS A 6 -23.396 -8.858 -10.813 1.00 42.31 C ATOM 89 CE1 HIS A 6 -23.832 -8.764 -12.956 1.00 3.13 C ATOM 90 NE2 HIS A 6 -24.079 -8.191 -11.798 1.00 34.31 N ATOM 0 H HIS A 6 -19.362 -10.935 -12.097 1.00 21.44 H new ATOM 0 HA HIS A 6 -20.602 -9.412 -9.875 1.00 23.14 H new ATOM 0 HB2 HIS A 6 -21.650 -11.702 -11.565 1.00 73.25 H new ATOM 0 HB3 HIS A 6 -22.302 -11.377 -9.971 1.00 73.25 H new ATOM 0 HD2 HIS A 6 -23.400 -8.623 -9.759 1.00 42.31 H new ATOM 0 HE1 HIS A 6 -24.232 -8.456 -13.911 1.00 3.13 H new ATOM 0 HE2 HIS A 6 -24.682 -7.381 -11.655 1.00 34.31 H new ATOM 99 N HIS A 7 -19.511 -10.819 -8.174 1.00 24.31 N ATOM 100 CA HIS A 7 -18.872 -11.610 -7.112 1.00 22.14 C ATOM 101 C HIS A 7 -19.515 -11.278 -5.751 1.00 74.41 C ATOM 102 O HIS A 7 -19.221 -10.248 -5.146 1.00 13.43 O ATOM 103 CB HIS A 7 -17.360 -11.328 -7.094 1.00 44.03 C ATOM 104 CG HIS A 7 -16.553 -12.326 -6.321 1.00 35.14 C ATOM 105 ND1 HIS A 7 -15.916 -12.028 -5.137 1.00 31.32 N ATOM 106 CD2 HIS A 7 -16.252 -13.621 -6.587 1.00 3.01 C ATOM 107 CE1 HIS A 7 -15.262 -13.089 -4.709 1.00 35.42 C ATOM 108 NE2 HIS A 7 -15.449 -14.066 -5.568 1.00 42.52 N ATOM 0 H HIS A 7 -19.727 -9.859 -7.905 1.00 24.31 H new ATOM 0 HA HIS A 7 -19.021 -12.672 -7.307 1.00 22.14 H new ATOM 0 HB2 HIS A 7 -16.996 -11.302 -8.121 1.00 44.03 H new ATOM 0 HB3 HIS A 7 -17.193 -10.338 -6.671 1.00 44.03 H new ATOM 0 HD2 HIS A 7 -16.582 -14.194 -7.441 1.00 3.01 H new ATOM 0 HE1 HIS A 7 -14.673 -13.146 -3.806 1.00 35.42 H new ATOM 0 HE2 HIS A 7 -15.059 -15.005 -5.489 1.00 42.52 H new ATOM 117 N HIS A 8 -20.381 -12.171 -5.270 1.00 35.21 N ATOM 118 CA HIS A 8 -21.256 -11.877 -4.120 1.00 11.31 C ATOM 119 C HIS A 8 -20.590 -12.145 -2.754 1.00 41.42 C ATOM 120 O HIS A 8 -21.280 -12.242 -1.739 1.00 71.42 O ATOM 121 CB HIS A 8 -22.552 -12.695 -4.235 1.00 53.14 C ATOM 122 CG HIS A 8 -22.361 -14.177 -4.094 1.00 61.12 C ATOM 123 ND1 HIS A 8 -21.967 -14.994 -5.135 1.00 70.44 N ATOM 124 CD2 HIS A 8 -22.516 -14.993 -3.022 1.00 1.42 C ATOM 125 CE1 HIS A 8 -21.891 -16.240 -4.708 1.00 41.52 C ATOM 126 NE2 HIS A 8 -22.218 -16.267 -3.434 1.00 2.33 N ATOM 0 H HIS A 8 -20.500 -13.108 -5.656 1.00 35.21 H new ATOM 0 HA HIS A 8 -21.470 -10.809 -4.156 1.00 11.31 H new ATOM 0 HB2 HIS A 8 -23.251 -12.356 -3.470 1.00 53.14 H new ATOM 0 HB3 HIS A 8 -23.013 -12.490 -5.201 1.00 53.14 H new ATOM 0 HD2 HIS A 8 -22.818 -14.695 -2.029 1.00 1.42 H new ATOM 0 HE1 HIS A 8 -21.608 -17.095 -5.304 1.00 41.52 H new ATOM 0 HE2 HIS A 8 -22.246 -17.101 -2.847 1.00 2.33 H new ATOM 135 N SER A 9 -19.261 -12.234 -2.719 1.00 22.13 N ATOM 136 CA SER A 9 -18.542 -12.529 -1.466 1.00 15.51 C ATOM 137 C SER A 9 -18.751 -11.436 -0.407 1.00 15.32 C ATOM 138 O SER A 9 -18.591 -10.245 -0.680 1.00 50.43 O ATOM 139 CB SER A 9 -17.041 -12.692 -1.720 1.00 4.32 C ATOM 140 OG SER A 9 -16.337 -12.876 -0.502 1.00 64.41 O ATOM 0 H SER A 9 -18.659 -12.108 -3.533 1.00 22.13 H new ATOM 0 HA SER A 9 -18.956 -13.463 -1.087 1.00 15.51 H new ATOM 0 HB2 SER A 9 -16.870 -13.546 -2.376 1.00 4.32 H new ATOM 0 HB3 SER A 9 -16.658 -11.812 -2.236 1.00 4.32 H new ATOM 0 HG SER A 9 -15.381 -12.980 -0.689 1.00 64.41 H new ATOM 146 N HIS A 10 -19.104 -11.853 0.809 1.00 41.13 N ATOM 147 CA HIS A 10 -19.289 -10.926 1.932 1.00 44.15 C ATOM 148 C HIS A 10 -18.003 -10.789 2.774 1.00 75.02 C ATOM 149 O HIS A 10 -18.026 -10.227 3.871 1.00 10.20 O ATOM 150 CB HIS A 10 -20.450 -11.401 2.817 1.00 13.31 C ATOM 151 CG HIS A 10 -21.788 -11.358 2.140 1.00 73.31 C ATOM 152 ND1 HIS A 10 -22.701 -10.345 2.340 1.00 53.42 N ATOM 153 CD2 HIS A 10 -22.372 -12.209 1.260 1.00 73.23 C ATOM 154 CE1 HIS A 10 -23.780 -10.574 1.622 1.00 43.50 C ATOM 155 NE2 HIS A 10 -23.606 -11.696 0.956 1.00 43.33 N ATOM 0 H HIS A 10 -19.269 -12.832 1.045 1.00 41.13 H new ATOM 0 HA HIS A 10 -19.523 -9.944 1.521 1.00 44.15 H new ATOM 0 HB2 HIS A 10 -20.251 -12.422 3.143 1.00 13.31 H new ATOM 0 HB3 HIS A 10 -20.487 -10.782 3.713 1.00 13.31 H new ATOM 0 HD2 HIS A 10 -21.944 -13.121 0.871 1.00 73.23 H new ATOM 0 HE1 HIS A 10 -24.659 -9.948 1.585 1.00 43.50 H new ATOM 0 HE2 HIS A 10 -24.281 -12.116 0.317 1.00 43.33 H new ATOM 164 N MET A 11 -16.887 -11.306 2.256 1.00 15.40 N ATOM 165 CA MET A 11 -15.594 -11.207 2.949 1.00 74.24 C ATOM 166 C MET A 11 -15.065 -9.763 2.951 1.00 32.14 C ATOM 167 O MET A 11 -14.662 -9.232 1.913 1.00 40.02 O ATOM 168 CB MET A 11 -14.560 -12.148 2.310 1.00 13.35 C ATOM 169 CG MET A 11 -14.876 -13.626 2.500 1.00 45.12 C ATOM 170 SD MET A 11 -14.921 -14.113 4.240 1.00 12.00 S ATOM 171 CE MET A 11 -13.238 -13.747 4.747 1.00 3.24 C ATOM 0 H MET A 11 -16.849 -11.796 1.362 1.00 15.40 H new ATOM 0 HA MET A 11 -15.754 -11.510 3.984 1.00 74.24 H new ATOM 0 HB2 MET A 11 -14.497 -11.933 1.243 1.00 13.35 H new ATOM 0 HB3 MET A 11 -13.579 -11.938 2.736 1.00 13.35 H new ATOM 0 HG2 MET A 11 -15.838 -13.849 2.040 1.00 45.12 H new ATOM 0 HG3 MET A 11 -14.127 -14.223 1.979 1.00 45.12 H new ATOM 0 HE1 MET A 11 -12.885 -14.524 5.426 1.00 3.24 H new ATOM 0 HE2 MET A 11 -12.593 -13.712 3.869 1.00 3.24 H new ATOM 0 HE3 MET A 11 -13.212 -12.783 5.255 1.00 3.24 H new ATOM 181 N THR A 12 -15.062 -9.140 4.125 1.00 54.32 N ATOM 182 CA THR A 12 -14.613 -7.749 4.266 1.00 70.15 C ATOM 183 C THR A 12 -13.108 -7.597 3.994 1.00 53.41 C ATOM 184 O THR A 12 -12.335 -8.551 4.116 1.00 4.41 O ATOM 185 CB THR A 12 -14.927 -7.194 5.675 1.00 13.13 C ATOM 186 OG1 THR A 12 -14.270 -7.983 6.675 1.00 3.33 O ATOM 187 CG2 THR A 12 -16.431 -7.186 5.937 1.00 14.44 C ATOM 0 H THR A 12 -15.365 -9.573 4.997 1.00 54.32 H new ATOM 0 HA THR A 12 -15.163 -7.176 3.520 1.00 70.15 H new ATOM 0 HB THR A 12 -14.560 -6.169 5.722 1.00 13.13 H new ATOM 0 HG1 THR A 12 -14.474 -7.622 7.563 1.00 3.33 H new ATOM 0 HG21 THR A 12 -16.624 -6.791 6.934 1.00 14.44 H new ATOM 0 HG22 THR A 12 -16.926 -6.558 5.196 1.00 14.44 H new ATOM 0 HG23 THR A 12 -16.818 -8.203 5.868 1.00 14.44 H new ATOM 195 N GLY A 13 -12.695 -6.385 3.623 1.00 33.41 N ATOM 196 CA GLY A 13 -11.293 -6.134 3.301 1.00 43.40 C ATOM 197 C GLY A 13 -10.393 -6.039 4.532 1.00 14.44 C ATOM 198 O GLY A 13 -9.985 -4.950 4.929 1.00 63.24 O ATOM 0 H GLY A 13 -13.304 -5.571 3.539 1.00 33.41 H new ATOM 0 HA2 GLY A 13 -10.928 -6.932 2.655 1.00 43.40 H new ATOM 0 HA3 GLY A 13 -11.219 -5.206 2.734 1.00 43.40 H new ATOM 202 N ASN A 14 -10.074 -7.187 5.124 1.00 2.51 N ATOM 203 CA ASN A 14 -9.217 -7.238 6.319 1.00 70.44 C ATOM 204 C ASN A 14 -7.720 -7.115 5.960 1.00 42.00 C ATOM 205 O ASN A 14 -6.900 -7.955 6.337 1.00 2.24 O ATOM 206 CB ASN A 14 -9.482 -8.540 7.086 1.00 73.12 C ATOM 207 CG ASN A 14 -10.920 -8.642 7.565 1.00 34.21 C ATOM 208 OD1 ASN A 14 -11.250 -8.245 8.677 1.00 20.32 O ATOM 209 ND2 ASN A 14 -11.792 -9.164 6.729 1.00 64.11 N ATOM 0 H ASN A 14 -10.394 -8.100 4.799 1.00 2.51 H new ATOM 0 HA ASN A 14 -9.466 -6.386 6.951 1.00 70.44 H new ATOM 0 HB2 ASN A 14 -9.254 -9.391 6.444 1.00 73.12 H new ATOM 0 HB3 ASN A 14 -8.811 -8.598 7.943 1.00 73.12 H new ATOM 0 HD21 ASN A 14 -12.772 -9.247 7.000 1.00 64.11 H new ATOM 0 HD22 ASN A 14 -11.488 -9.486 5.810 1.00 64.11 H new ATOM 216 N VAL A 15 -7.372 -6.052 5.234 1.00 21.35 N ATOM 217 CA VAL A 15 -5.980 -5.782 4.848 1.00 63.32 C ATOM 218 C VAL A 15 -5.416 -4.590 5.640 1.00 25.44 C ATOM 219 O VAL A 15 -5.875 -3.459 5.486 1.00 21.31 O ATOM 220 CB VAL A 15 -5.862 -5.496 3.327 1.00 40.22 C ATOM 221 CG1 VAL A 15 -4.403 -5.267 2.928 1.00 24.12 C ATOM 222 CG2 VAL A 15 -6.476 -6.638 2.516 1.00 71.41 C ATOM 0 H VAL A 15 -8.038 -5.357 4.898 1.00 21.35 H new ATOM 0 HA VAL A 15 -5.399 -6.675 5.081 1.00 63.32 H new ATOM 0 HB VAL A 15 -6.418 -4.584 3.107 1.00 40.22 H new ATOM 0 HG11 VAL A 15 -4.345 -5.069 1.858 1.00 24.12 H new ATOM 0 HG12 VAL A 15 -4.005 -4.414 3.477 1.00 24.12 H new ATOM 0 HG13 VAL A 15 -3.817 -6.155 3.164 1.00 24.12 H new ATOM 0 HG21 VAL A 15 -6.384 -6.419 1.452 1.00 71.41 H new ATOM 0 HG22 VAL A 15 -5.953 -7.567 2.742 1.00 71.41 H new ATOM 0 HG23 VAL A 15 -7.530 -6.743 2.775 1.00 71.41 H new ATOM 232 N CYS A 16 -4.426 -4.855 6.488 1.00 25.32 N ATOM 233 CA CYS A 16 -3.856 -3.827 7.373 1.00 12.24 C ATOM 234 C CYS A 16 -2.580 -3.196 6.787 1.00 73.14 C ATOM 235 O CYS A 16 -1.833 -3.837 6.042 1.00 22.41 O ATOM 236 CB CYS A 16 -3.534 -4.438 8.746 1.00 15.52 C ATOM 237 SG CYS A 16 -4.942 -5.240 9.552 1.00 4.02 S ATOM 0 H CYS A 16 -3.996 -5.775 6.586 1.00 25.32 H new ATOM 0 HA CYS A 16 -4.603 -3.040 7.475 1.00 12.24 H new ATOM 0 HB2 CYS A 16 -2.734 -5.168 8.627 1.00 15.52 H new ATOM 0 HB3 CYS A 16 -3.154 -3.653 9.400 1.00 15.52 H new ATOM 0 HG CYS A 16 -4.568 -5.724 10.699 1.00 4.02 H new ATOM 243 N ILE A 17 -2.333 -1.935 7.137 1.00 10.20 N ATOM 244 CA ILE A 17 -1.094 -1.248 6.756 1.00 41.41 C ATOM 245 C ILE A 17 -0.030 -1.431 7.848 1.00 62.22 C ATOM 246 O ILE A 17 -0.155 -0.879 8.946 1.00 31.40 O ATOM 247 CB ILE A 17 -1.327 0.270 6.535 1.00 15.42 C ATOM 248 CG1 ILE A 17 -2.451 0.498 5.512 1.00 15.30 C ATOM 249 CG2 ILE A 17 -0.035 0.951 6.075 1.00 21.05 C ATOM 250 CD1 ILE A 17 -2.807 1.957 5.301 1.00 11.51 C ATOM 0 H ILE A 17 -2.976 -1.364 7.686 1.00 10.20 H new ATOM 0 HA ILE A 17 -0.753 -1.690 5.820 1.00 41.41 H new ATOM 0 HB ILE A 17 -1.629 0.714 7.484 1.00 15.42 H new ATOM 0 HG12 ILE A 17 -2.152 0.066 4.557 1.00 15.30 H new ATOM 0 HG13 ILE A 17 -3.341 -0.039 5.840 1.00 15.30 H new ATOM 0 HG21 ILE A 17 -0.218 2.015 5.925 1.00 21.05 H new ATOM 0 HG22 ILE A 17 0.736 0.819 6.834 1.00 21.05 H new ATOM 0 HG23 ILE A 17 0.298 0.505 5.138 1.00 21.05 H new ATOM 0 HD11 ILE A 17 -3.608 2.033 4.565 1.00 11.51 H new ATOM 0 HD12 ILE A 17 -3.138 2.391 6.244 1.00 11.51 H new ATOM 0 HD13 ILE A 17 -1.931 2.497 4.941 1.00 11.51 H new ATOM 262 N GLU A 18 1.010 -2.207 7.553 1.00 11.12 N ATOM 263 CA GLU A 18 2.043 -2.502 8.548 1.00 13.32 C ATOM 264 C GLU A 18 3.012 -1.323 8.737 1.00 64.32 C ATOM 265 O GLU A 18 3.026 -0.686 9.793 1.00 31.04 O ATOM 266 CB GLU A 18 2.823 -3.767 8.162 1.00 61.22 C ATOM 267 CG GLU A 18 3.893 -4.148 9.177 1.00 4.21 C ATOM 268 CD GLU A 18 4.663 -5.396 8.786 1.00 15.15 C ATOM 269 OE1 GLU A 18 5.684 -5.273 8.084 1.00 23.24 O ATOM 270 OE2 GLU A 18 4.252 -6.503 9.191 1.00 51.44 O ATOM 0 H GLU A 18 1.161 -2.640 6.642 1.00 11.12 H new ATOM 0 HA GLU A 18 1.535 -2.672 9.497 1.00 13.32 H new ATOM 0 HB2 GLU A 18 2.125 -4.597 8.052 1.00 61.22 H new ATOM 0 HB3 GLU A 18 3.292 -3.614 7.190 1.00 61.22 H new ATOM 0 HG2 GLU A 18 4.590 -3.318 9.291 1.00 4.21 H new ATOM 0 HG3 GLU A 18 3.425 -4.306 10.149 1.00 4.21 H new ATOM 277 N GLU A 19 3.820 -1.028 7.718 1.00 23.43 N ATOM 278 CA GLU A 19 4.838 0.023 7.833 1.00 31.34 C ATOM 279 C GLU A 19 5.226 0.598 6.458 1.00 23.15 C ATOM 280 O GLU A 19 5.155 -0.088 5.432 1.00 1.15 O ATOM 281 CB GLU A 19 6.075 -0.537 8.558 1.00 60.15 C ATOM 282 CG GLU A 19 7.084 0.522 8.997 1.00 62.31 C ATOM 283 CD GLU A 19 8.243 -0.072 9.785 1.00 43.24 C ATOM 284 OE1 GLU A 19 8.058 -0.387 10.983 1.00 61.44 O ATOM 285 OE2 GLU A 19 9.341 -0.241 9.209 1.00 43.33 O ATOM 0 H GLU A 19 3.792 -1.495 6.812 1.00 23.43 H new ATOM 0 HA GLU A 19 4.418 0.844 8.414 1.00 31.34 H new ATOM 0 HB2 GLU A 19 5.746 -1.093 9.436 1.00 60.15 H new ATOM 0 HB3 GLU A 19 6.576 -1.247 7.900 1.00 60.15 H new ATOM 0 HG2 GLU A 19 7.472 1.037 8.118 1.00 62.31 H new ATOM 0 HG3 GLU A 19 6.579 1.270 9.608 1.00 62.31 H new ATOM 292 N ILE A 20 5.622 1.870 6.446 1.00 11.34 N ATOM 293 CA ILE A 20 6.030 2.552 5.215 1.00 4.24 C ATOM 294 C ILE A 20 7.548 2.797 5.202 1.00 72.32 C ATOM 295 O ILE A 20 8.124 3.200 6.213 1.00 54.34 O ATOM 296 CB ILE A 20 5.295 3.912 5.064 1.00 60.23 C ATOM 297 CG1 ILE A 20 3.767 3.711 5.111 1.00 63.10 C ATOM 298 CG2 ILE A 20 5.712 4.609 3.766 1.00 4.22 C ATOM 299 CD1 ILE A 20 2.978 5.005 5.050 1.00 63.04 C ATOM 0 H ILE A 20 5.670 2.454 7.281 1.00 11.34 H new ATOM 0 HA ILE A 20 5.762 1.905 4.380 1.00 4.24 H new ATOM 0 HB ILE A 20 5.580 4.551 5.900 1.00 60.23 H new ATOM 0 HG12 ILE A 20 3.468 3.074 4.279 1.00 63.10 H new ATOM 0 HG13 ILE A 20 3.508 3.181 6.027 1.00 63.10 H new ATOM 0 HG21 ILE A 20 5.186 5.560 3.679 1.00 4.22 H new ATOM 0 HG22 ILE A 20 6.787 4.788 3.779 1.00 4.22 H new ATOM 0 HG23 ILE A 20 5.460 3.975 2.916 1.00 4.22 H new ATOM 0 HD11 ILE A 20 1.912 4.783 5.088 1.00 63.04 H new ATOM 0 HD12 ILE A 20 3.248 5.636 5.897 1.00 63.04 H new ATOM 0 HD13 ILE A 20 3.207 5.527 4.121 1.00 63.04 H new ATOM 311 N ASP A 21 8.186 2.558 4.059 1.00 52.31 N ATOM 312 CA ASP A 21 9.630 2.774 3.918 1.00 1.33 C ATOM 313 C ASP A 21 9.992 4.271 3.932 1.00 11.03 C ATOM 314 O ASP A 21 9.229 5.122 3.463 1.00 63.23 O ATOM 315 CB ASP A 21 10.132 2.107 2.632 1.00 42.25 C ATOM 316 CG ASP A 21 11.557 2.489 2.277 1.00 5.30 C ATOM 317 OD1 ASP A 21 12.448 2.338 3.139 1.00 73.14 O ATOM 318 OD2 ASP A 21 11.783 2.944 1.139 1.00 44.22 O ATOM 0 H ASP A 21 7.729 2.214 3.215 1.00 52.31 H new ATOM 0 HA ASP A 21 10.124 2.318 4.776 1.00 1.33 H new ATOM 0 HB2 ASP A 21 10.070 1.025 2.744 1.00 42.25 H new ATOM 0 HB3 ASP A 21 9.473 2.380 1.808 1.00 42.25 H new ATOM 323 N VAL A 22 11.169 4.574 4.475 1.00 70.21 N ATOM 324 CA VAL A 22 11.648 5.955 4.605 1.00 55.31 C ATOM 325 C VAL A 22 12.707 6.289 3.534 1.00 30.13 C ATOM 326 O VAL A 22 12.998 7.457 3.275 1.00 53.25 O ATOM 327 CB VAL A 22 12.241 6.197 6.021 1.00 21.30 C ATOM 328 CG1 VAL A 22 13.476 5.327 6.255 1.00 15.21 C ATOM 329 CG2 VAL A 22 12.559 7.676 6.244 1.00 2.23 C ATOM 0 H VAL A 22 11.818 3.875 4.837 1.00 70.21 H new ATOM 0 HA VAL A 22 10.791 6.612 4.457 1.00 55.31 H new ATOM 0 HB VAL A 22 11.485 5.908 6.751 1.00 21.30 H new ATOM 0 HG11 VAL A 22 13.871 5.516 7.253 1.00 15.21 H new ATOM 0 HG12 VAL A 22 13.203 4.276 6.166 1.00 15.21 H new ATOM 0 HG13 VAL A 22 14.237 5.568 5.512 1.00 15.21 H new ATOM 0 HG21 VAL A 22 12.972 7.813 7.243 1.00 2.23 H new ATOM 0 HG22 VAL A 22 13.286 8.008 5.502 1.00 2.23 H new ATOM 0 HG23 VAL A 22 11.646 8.263 6.145 1.00 2.23 H new ATOM 339 N ASP A 23 13.276 5.257 2.912 1.00 1.32 N ATOM 340 CA ASP A 23 14.308 5.440 1.885 1.00 52.02 C ATOM 341 C ASP A 23 13.682 5.939 0.565 1.00 34.31 C ATOM 342 O ASP A 23 14.334 6.609 -0.244 1.00 12.33 O ATOM 343 CB ASP A 23 15.056 4.114 1.673 1.00 33.04 C ATOM 344 CG ASP A 23 16.391 4.298 0.975 1.00 14.42 C ATOM 345 OD1 ASP A 23 16.429 4.294 -0.268 1.00 20.41 O ATOM 346 OD2 ASP A 23 17.420 4.438 1.671 1.00 43.22 O ATOM 0 H ASP A 23 13.041 4.282 3.100 1.00 1.32 H new ATOM 0 HA ASP A 23 15.017 6.197 2.219 1.00 52.02 H new ATOM 0 HB2 ASP A 23 15.219 3.635 2.639 1.00 33.04 H new ATOM 0 HB3 ASP A 23 14.433 3.441 1.084 1.00 33.04 H new ATOM 351 N GLY A 24 12.409 5.606 0.362 1.00 62.30 N ATOM 352 CA GLY A 24 11.666 6.087 -0.797 1.00 51.14 C ATOM 353 C GLY A 24 11.611 5.074 -1.936 1.00 74.23 C ATOM 354 O GLY A 24 11.743 5.436 -3.110 1.00 31.34 O ATOM 0 H GLY A 24 11.872 5.005 0.986 1.00 62.30 H new ATOM 0 HA2 GLY A 24 10.650 6.337 -0.492 1.00 51.14 H new ATOM 0 HA3 GLY A 24 12.125 7.007 -1.159 1.00 51.14 H new ATOM 358 N LYS A 25 11.413 3.802 -1.596 1.00 13.14 N ATOM 359 CA LYS A 25 11.396 2.731 -2.599 1.00 24.55 C ATOM 360 C LYS A 25 10.117 1.876 -2.557 1.00 62.22 C ATOM 361 O LYS A 25 9.616 1.469 -3.607 1.00 72.42 O ATOM 362 CB LYS A 25 12.632 1.835 -2.424 1.00 64.33 C ATOM 363 CG LYS A 25 13.948 2.550 -2.713 1.00 65.03 C ATOM 364 CD LYS A 25 15.155 1.664 -2.418 1.00 55.53 C ATOM 365 CE LYS A 25 16.463 2.378 -2.736 1.00 20.55 C ATOM 366 NZ LYS A 25 17.641 1.593 -2.294 1.00 3.51 N ATOM 0 H LYS A 25 11.262 3.485 -0.638 1.00 13.14 H new ATOM 0 HA LYS A 25 11.414 3.215 -3.575 1.00 24.55 H new ATOM 0 HB2 LYS A 25 12.652 1.453 -1.404 1.00 64.33 H new ATOM 0 HB3 LYS A 25 12.543 0.973 -3.086 1.00 64.33 H new ATOM 0 HG2 LYS A 25 13.971 2.859 -3.758 1.00 65.03 H new ATOM 0 HG3 LYS A 25 14.008 3.457 -2.111 1.00 65.03 H new ATOM 0 HD2 LYS A 25 15.145 1.371 -1.368 1.00 55.53 H new ATOM 0 HD3 LYS A 25 15.087 0.748 -3.005 1.00 55.53 H new ATOM 0 HE2 LYS A 25 16.528 2.557 -3.809 1.00 20.55 H new ATOM 0 HE3 LYS A 25 16.473 3.353 -2.249 1.00 20.55 H new ATOM 0 HZ1 LYS A 25 18.511 2.112 -2.528 1.00 3.51 H new ATOM 0 HZ2 LYS A 25 17.593 1.443 -1.266 1.00 3.51 H new ATOM 0 HZ3 LYS A 25 17.646 0.672 -2.778 1.00 3.51 H new ATOM 380 N PHE A 26 9.581 1.594 -1.364 1.00 73.33 N ATOM 381 CA PHE A 26 8.440 0.667 -1.259 1.00 34.33 C ATOM 382 C PHE A 26 7.567 0.878 -0.003 1.00 53.24 C ATOM 383 O PHE A 26 7.886 1.659 0.886 1.00 74.02 O ATOM 384 CB PHE A 26 8.952 -0.782 -1.296 1.00 30.11 C ATOM 385 CG PHE A 26 9.939 -1.115 -0.198 1.00 60.51 C ATOM 386 CD1 PHE A 26 11.300 -0.907 -0.382 1.00 62.51 C ATOM 387 CD2 PHE A 26 9.505 -1.635 1.015 1.00 2.43 C ATOM 388 CE1 PHE A 26 12.204 -1.211 0.619 1.00 34.42 C ATOM 389 CE2 PHE A 26 10.405 -1.940 2.018 1.00 13.30 C ATOM 390 CZ PHE A 26 11.757 -1.727 1.819 1.00 32.22 C ATOM 0 H PHE A 26 9.905 1.980 -0.478 1.00 73.33 H new ATOM 0 HA PHE A 26 7.796 0.877 -2.113 1.00 34.33 H new ATOM 0 HB2 PHE A 26 8.101 -1.459 -1.223 1.00 30.11 H new ATOM 0 HB3 PHE A 26 9.423 -0.965 -2.262 1.00 30.11 H new ATOM 0 HD1 PHE A 26 11.656 -0.503 -1.318 1.00 62.51 H new ATOM 0 HD2 PHE A 26 8.450 -1.803 1.176 1.00 2.43 H new ATOM 0 HE1 PHE A 26 13.260 -1.045 0.462 1.00 34.42 H new ATOM 0 HE2 PHE A 26 10.053 -2.344 2.956 1.00 13.30 H new ATOM 0 HZ PHE A 26 12.462 -1.964 2.602 1.00 32.22 H new ATOM 400 N ILE A 27 6.436 0.170 0.029 1.00 11.43 N ATOM 401 CA ILE A 27 5.544 0.122 1.202 1.00 32.13 C ATOM 402 C ILE A 27 5.087 -1.331 1.434 1.00 25.21 C ATOM 403 O ILE A 27 4.871 -2.063 0.474 1.00 24.45 O ATOM 404 CB ILE A 27 4.290 1.019 1.004 1.00 70.34 C ATOM 405 CG1 ILE A 27 4.697 2.462 0.660 1.00 4.54 C ATOM 406 CG2 ILE A 27 3.406 0.995 2.253 1.00 32.31 C ATOM 407 CD1 ILE A 27 3.527 3.379 0.364 1.00 15.42 C ATOM 0 H ILE A 27 6.107 -0.390 -0.758 1.00 11.43 H new ATOM 0 HA ILE A 27 6.100 0.494 2.063 1.00 32.13 H new ATOM 0 HB ILE A 27 3.717 0.618 0.168 1.00 70.34 H new ATOM 0 HG12 ILE A 27 5.268 2.875 1.491 1.00 4.54 H new ATOM 0 HG13 ILE A 27 5.360 2.445 -0.205 1.00 4.54 H new ATOM 0 HG21 ILE A 27 2.534 1.629 2.094 1.00 32.31 H new ATOM 0 HG22 ILE A 27 3.081 -0.027 2.449 1.00 32.31 H new ATOM 0 HG23 ILE A 27 3.973 1.366 3.107 1.00 32.31 H new ATOM 0 HD11 ILE A 27 3.897 4.377 0.131 1.00 15.42 H new ATOM 0 HD12 ILE A 27 2.967 2.991 -0.487 1.00 15.42 H new ATOM 0 HD13 ILE A 27 2.874 3.429 1.235 1.00 15.42 H new ATOM 419 N ARG A 28 4.934 -1.760 2.688 1.00 50.12 N ATOM 420 CA ARG A 28 4.568 -3.161 2.959 1.00 13.42 C ATOM 421 C ARG A 28 3.258 -3.281 3.760 1.00 74.32 C ATOM 422 O ARG A 28 3.170 -2.853 4.914 1.00 2.31 O ATOM 423 CB ARG A 28 5.714 -3.879 3.687 1.00 22.32 C ATOM 424 CG ARG A 28 5.551 -5.398 3.731 1.00 51.14 C ATOM 425 CD ARG A 28 6.792 -6.099 4.281 1.00 53.21 C ATOM 426 NE ARG A 28 7.030 -5.786 5.689 1.00 74.45 N ATOM 427 CZ ARG A 28 8.179 -5.929 6.293 1.00 24.43 C ATOM 428 NH1 ARG A 28 9.217 -6.366 5.652 1.00 50.24 N ATOM 429 NH2 ARG A 28 8.280 -5.636 7.546 1.00 43.15 N ATOM 0 H ARG A 28 5.053 -1.178 3.517 1.00 50.12 H new ATOM 0 HA ARG A 28 4.397 -3.643 1.996 1.00 13.42 H new ATOM 0 HB2 ARG A 28 6.655 -3.637 3.194 1.00 22.32 H new ATOM 0 HB3 ARG A 28 5.781 -3.499 4.706 1.00 22.32 H new ATOM 0 HG2 ARG A 28 4.690 -5.651 4.349 1.00 51.14 H new ATOM 0 HG3 ARG A 28 5.342 -5.768 2.727 1.00 51.14 H new ATOM 0 HD2 ARG A 28 6.679 -7.177 4.165 1.00 53.21 H new ATOM 0 HD3 ARG A 28 7.662 -5.805 3.694 1.00 53.21 H new ATOM 0 HE ARG A 28 6.246 -5.432 6.237 1.00 74.45 H new ATOM 0 HH11 ARG A 28 9.143 -6.603 4.663 1.00 50.24 H new ATOM 0 HH12 ARG A 28 10.108 -6.473 6.137 1.00 50.24 H new ATOM 0 HH21 ARG A 28 7.466 -5.295 8.057 1.00 43.15 H new ATOM 0 HH22 ARG A 28 9.174 -5.745 8.025 1.00 43.15 H new ATOM 443 N LEU A 29 2.239 -3.865 3.126 1.00 31.22 N ATOM 444 CA LEU A 29 0.941 -4.113 3.774 1.00 11.32 C ATOM 445 C LEU A 29 0.792 -5.603 4.131 1.00 12.54 C ATOM 446 O LEU A 29 1.598 -6.430 3.709 1.00 54.42 O ATOM 447 CB LEU A 29 -0.221 -3.682 2.856 1.00 44.13 C ATOM 448 CG LEU A 29 -0.305 -2.176 2.518 1.00 61.33 C ATOM 449 CD1 LEU A 29 0.843 -1.739 1.608 1.00 61.25 C ATOM 450 CD2 LEU A 29 -1.650 -1.846 1.873 1.00 35.33 C ATOM 0 H LEU A 29 2.285 -4.179 2.157 1.00 31.22 H new ATOM 0 HA LEU A 29 0.905 -3.521 4.689 1.00 11.32 H new ATOM 0 HB2 LEU A 29 -0.143 -4.238 1.922 1.00 44.13 H new ATOM 0 HB3 LEU A 29 -1.158 -3.980 3.327 1.00 44.13 H new ATOM 0 HG LEU A 29 -0.217 -1.623 3.453 1.00 61.33 H new ATOM 0 HD11 LEU A 29 0.751 -0.675 1.392 1.00 61.25 H new ATOM 0 HD12 LEU A 29 1.794 -1.927 2.106 1.00 61.25 H new ATOM 0 HD13 LEU A 29 0.804 -2.303 0.676 1.00 61.25 H new ATOM 0 HD21 LEU A 29 -1.691 -0.782 1.642 1.00 35.33 H new ATOM 0 HD22 LEU A 29 -1.764 -2.421 0.954 1.00 35.33 H new ATOM 0 HD23 LEU A 29 -2.456 -2.099 2.562 1.00 35.33 H new ATOM 462 N LYS A 30 -0.244 -5.946 4.897 1.00 35.24 N ATOM 463 CA LYS A 30 -0.464 -7.338 5.322 1.00 52.13 C ATOM 464 C LYS A 30 -1.958 -7.696 5.372 1.00 2.43 C ATOM 465 O LYS A 30 -2.750 -6.998 6.003 1.00 60.12 O ATOM 466 CB LYS A 30 0.169 -7.575 6.703 1.00 5.25 C ATOM 467 CG LYS A 30 -0.001 -9.005 7.223 1.00 53.30 C ATOM 468 CD LYS A 30 0.607 -9.192 8.612 1.00 51.31 C ATOM 469 CE LYS A 30 2.104 -8.900 8.622 1.00 21.03 C ATOM 470 NZ LYS A 30 2.713 -9.139 9.955 1.00 23.21 N ATOM 0 H LYS A 30 -0.944 -5.286 5.237 1.00 35.24 H new ATOM 0 HA LYS A 30 0.010 -7.982 4.581 1.00 52.13 H new ATOM 0 HB2 LYS A 30 1.232 -7.342 6.650 1.00 5.25 H new ATOM 0 HB3 LYS A 30 -0.274 -6.883 7.419 1.00 5.25 H new ATOM 0 HG2 LYS A 30 -1.062 -9.254 7.257 1.00 53.30 H new ATOM 0 HG3 LYS A 30 0.468 -9.701 6.527 1.00 53.30 H new ATOM 0 HD2 LYS A 30 0.104 -8.533 9.320 1.00 51.31 H new ATOM 0 HD3 LYS A 30 0.434 -10.214 8.949 1.00 51.31 H new ATOM 0 HE2 LYS A 30 2.600 -9.526 7.880 1.00 21.03 H new ATOM 0 HE3 LYS A 30 2.272 -7.864 8.328 1.00 21.03 H new ATOM 0 HZ1 LYS A 30 3.408 -8.392 10.158 1.00 23.21 H new ATOM 0 HZ2 LYS A 30 1.970 -9.128 10.683 1.00 23.21 H new ATOM 0 HZ3 LYS A 30 3.188 -10.064 9.959 1.00 23.21 H new ATOM 484 N ASN A 31 -2.337 -8.790 4.712 1.00 21.20 N ATOM 485 CA ASN A 31 -3.717 -9.293 4.771 1.00 13.11 C ATOM 486 C ASN A 31 -3.883 -10.292 5.926 1.00 53.41 C ATOM 487 O ASN A 31 -3.085 -11.217 6.074 1.00 64.22 O ATOM 488 CB ASN A 31 -4.101 -9.963 3.446 1.00 54.41 C ATOM 489 CG ASN A 31 -5.501 -10.551 3.478 1.00 43.14 C ATOM 490 OD1 ASN A 31 -6.388 -10.038 4.152 1.00 52.34 O ATOM 491 ND2 ASN A 31 -5.712 -11.632 2.757 1.00 13.40 N ATOM 0 H ASN A 31 -1.712 -9.347 4.130 1.00 21.20 H new ATOM 0 HA ASN A 31 -4.378 -8.444 4.944 1.00 13.11 H new ATOM 0 HB2 ASN A 31 -4.035 -9.232 2.640 1.00 54.41 H new ATOM 0 HB3 ASN A 31 -3.384 -10.752 3.220 1.00 54.41 H new ATOM 0 HD21 ASN A 31 -6.634 -12.067 2.748 1.00 13.40 H new ATOM 0 HD22 ASN A 31 -4.953 -12.034 2.207 1.00 13.40 H new ATOM 498 N THR A 32 -4.927 -10.111 6.735 1.00 63.00 N ATOM 499 CA THR A 32 -5.153 -10.963 7.915 1.00 74.55 C ATOM 500 C THR A 32 -6.468 -11.753 7.821 1.00 43.23 C ATOM 501 O THR A 32 -6.902 -12.363 8.801 1.00 42.02 O ATOM 502 CB THR A 32 -5.178 -10.123 9.217 1.00 14.25 C ATOM 503 OG1 THR A 32 -6.253 -9.171 9.174 1.00 23.00 O ATOM 504 CG2 THR A 32 -3.857 -9.390 9.428 1.00 70.04 C ATOM 0 H THR A 32 -5.631 -9.385 6.600 1.00 63.00 H new ATOM 0 HA THR A 32 -4.320 -11.666 7.941 1.00 74.55 H new ATOM 0 HB THR A 32 -5.331 -10.808 10.051 1.00 14.25 H new ATOM 0 HG1 THR A 32 -6.280 -8.748 8.290 1.00 23.00 H new ATOM 0 HG21 THR A 32 -3.906 -8.810 10.349 1.00 70.04 H new ATOM 0 HG22 THR A 32 -3.046 -10.115 9.498 1.00 70.04 H new ATOM 0 HG23 THR A 32 -3.674 -8.721 8.587 1.00 70.04 H new ATOM 512 N SER A 33 -7.090 -11.756 6.644 1.00 64.34 N ATOM 513 CA SER A 33 -8.378 -12.444 6.445 1.00 45.14 C ATOM 514 C SER A 33 -8.222 -13.973 6.424 1.00 61.55 C ATOM 515 O SER A 33 -7.151 -14.495 6.126 1.00 41.30 O ATOM 516 CB SER A 33 -9.036 -11.983 5.138 1.00 64.30 C ATOM 517 OG SER A 33 -8.237 -12.312 4.012 1.00 13.13 O ATOM 0 H SER A 33 -6.729 -11.292 5.810 1.00 64.34 H new ATOM 0 HA SER A 33 -9.012 -12.180 7.292 1.00 45.14 H new ATOM 0 HB2 SER A 33 -10.017 -12.448 5.039 1.00 64.30 H new ATOM 0 HB3 SER A 33 -9.196 -10.905 5.170 1.00 64.30 H new ATOM 0 HG SER A 33 -8.687 -13.003 3.483 1.00 13.13 H new ATOM 523 N GLU A 34 -9.304 -14.686 6.747 1.00 3.11 N ATOM 524 CA GLU A 34 -9.311 -16.162 6.729 1.00 40.34 C ATOM 525 C GLU A 34 -9.167 -16.727 5.305 1.00 14.15 C ATOM 526 O GLU A 34 -8.666 -17.838 5.107 1.00 45.04 O ATOM 527 CB GLU A 34 -10.616 -16.695 7.339 1.00 5.51 C ATOM 528 CG GLU A 34 -10.875 -16.249 8.772 1.00 31.12 C ATOM 529 CD GLU A 34 -12.103 -16.918 9.367 1.00 64.23 C ATOM 530 OE1 GLU A 34 -11.968 -18.042 9.900 1.00 2.14 O ATOM 531 OE2 GLU A 34 -13.208 -16.339 9.285 1.00 44.04 O ATOM 0 H GLU A 34 -10.192 -14.269 7.026 1.00 3.11 H new ATOM 0 HA GLU A 34 -8.454 -16.488 7.318 1.00 40.34 H new ATOM 0 HB2 GLU A 34 -11.451 -16.374 6.716 1.00 5.51 H new ATOM 0 HB3 GLU A 34 -10.597 -17.784 7.309 1.00 5.51 H new ATOM 0 HG2 GLU A 34 -10.004 -16.480 9.386 1.00 31.12 H new ATOM 0 HG3 GLU A 34 -11.005 -15.167 8.796 1.00 31.12 H new ATOM 538 N GLN A 35 -9.628 -15.961 4.324 1.00 51.21 N ATOM 539 CA GLN A 35 -9.634 -16.391 2.924 1.00 70.10 C ATOM 540 C GLN A 35 -8.890 -15.373 2.048 1.00 24.34 C ATOM 541 O GLN A 35 -9.038 -14.166 2.236 1.00 15.45 O ATOM 542 CB GLN A 35 -11.086 -16.558 2.449 1.00 12.13 C ATOM 543 CG GLN A 35 -11.234 -17.108 1.035 1.00 52.34 C ATOM 544 CD GLN A 35 -12.687 -17.338 0.643 1.00 63.31 C ATOM 545 OE1 GLN A 35 -13.595 -16.655 1.118 1.00 51.22 O ATOM 546 NE2 GLN A 35 -12.925 -18.299 -0.222 1.00 20.32 N ATOM 0 H GLN A 35 -10.008 -15.026 4.472 1.00 51.21 H new ATOM 0 HA GLN A 35 -9.119 -17.348 2.838 1.00 70.10 H new ATOM 0 HB2 GLN A 35 -11.606 -17.223 3.139 1.00 12.13 H new ATOM 0 HB3 GLN A 35 -11.585 -15.590 2.502 1.00 12.13 H new ATOM 0 HG2 GLN A 35 -10.777 -16.414 0.330 1.00 52.34 H new ATOM 0 HG3 GLN A 35 -10.688 -18.048 0.956 1.00 52.34 H new ATOM 0 HE21 GLN A 35 -12.153 -18.849 -0.599 1.00 20.32 H new ATOM 0 HE22 GLN A 35 -13.882 -18.495 -0.516 1.00 20.32 H new ATOM 555 N ASP A 36 -8.097 -15.865 1.096 1.00 40.43 N ATOM 556 CA ASP A 36 -7.272 -14.999 0.241 1.00 13.11 C ATOM 557 C ASP A 36 -8.117 -13.914 -0.456 1.00 73.53 C ATOM 558 O ASP A 36 -9.110 -14.218 -1.123 1.00 71.40 O ATOM 559 CB ASP A 36 -6.538 -15.849 -0.801 1.00 12.13 C ATOM 560 CG ASP A 36 -5.846 -17.047 -0.172 1.00 62.14 C ATOM 561 OD1 ASP A 36 -4.877 -16.854 0.587 1.00 52.54 O ATOM 562 OD2 ASP A 36 -6.276 -18.191 -0.424 1.00 42.23 O ATOM 0 H ASP A 36 -8.006 -16.861 0.894 1.00 40.43 H new ATOM 0 HA ASP A 36 -6.546 -14.492 0.876 1.00 13.11 H new ATOM 0 HB2 ASP A 36 -7.248 -16.194 -1.553 1.00 12.13 H new ATOM 0 HB3 ASP A 36 -5.801 -15.234 -1.317 1.00 12.13 H new ATOM 567 N GLN A 37 -7.715 -12.652 -0.299 1.00 22.10 N ATOM 568 CA GLN A 37 -8.487 -11.516 -0.825 1.00 21.15 C ATOM 569 C GLN A 37 -8.047 -11.132 -2.249 1.00 51.33 C ATOM 570 O GLN A 37 -6.885 -10.794 -2.472 1.00 30.02 O ATOM 571 CB GLN A 37 -8.326 -10.298 0.097 1.00 54.14 C ATOM 572 CG GLN A 37 -8.837 -10.511 1.519 1.00 25.35 C ATOM 573 CD GLN A 37 -10.343 -10.724 1.595 1.00 4.11 C ATOM 574 OE1 GLN A 37 -10.830 -11.847 1.534 1.00 11.45 O ATOM 575 NE2 GLN A 37 -11.091 -9.647 1.730 1.00 3.24 N ATOM 0 H GLN A 37 -6.859 -12.387 0.188 1.00 22.10 H new ATOM 0 HA GLN A 37 -9.532 -11.824 -0.862 1.00 21.15 H new ATOM 0 HB2 GLN A 37 -7.271 -10.027 0.140 1.00 54.14 H new ATOM 0 HB3 GLN A 37 -8.855 -9.452 -0.343 1.00 54.14 H new ATOM 0 HG2 GLN A 37 -8.333 -11.375 1.953 1.00 25.35 H new ATOM 0 HG3 GLN A 37 -8.569 -9.647 2.127 1.00 25.35 H new ATOM 0 HE21 GLN A 37 -10.655 -8.726 1.778 1.00 3.24 H new ATOM 0 HE22 GLN A 37 -12.106 -9.735 1.787 1.00 3.24 H new ATOM 584 N PRO A 38 -8.966 -11.171 -3.235 1.00 73.52 N ATOM 585 CA PRO A 38 -8.666 -10.733 -4.611 1.00 71.35 C ATOM 586 C PRO A 38 -8.194 -9.265 -4.672 1.00 52.42 C ATOM 587 O PRO A 38 -8.983 -8.334 -4.482 1.00 62.44 O ATOM 588 CB PRO A 38 -10.004 -10.911 -5.349 1.00 24.24 C ATOM 589 CG PRO A 38 -10.761 -11.906 -4.531 1.00 44.31 C ATOM 590 CD PRO A 38 -10.352 -11.659 -3.102 1.00 21.51 C ATOM 0 HA PRO A 38 -7.850 -11.306 -5.051 1.00 71.35 H new ATOM 0 HB2 PRO A 38 -10.544 -9.967 -5.423 1.00 24.24 H new ATOM 0 HB3 PRO A 38 -9.850 -11.270 -6.366 1.00 24.24 H new ATOM 0 HG2 PRO A 38 -11.836 -11.779 -4.657 1.00 44.31 H new ATOM 0 HG3 PRO A 38 -10.522 -12.925 -4.835 1.00 44.31 H new ATOM 0 HD2 PRO A 38 -10.995 -10.923 -2.619 1.00 21.51 H new ATOM 0 HD3 PRO A 38 -10.404 -12.569 -2.504 1.00 21.51 H new ATOM 598 N MET A 39 -6.903 -9.065 -4.930 1.00 51.24 N ATOM 599 CA MET A 39 -6.309 -7.725 -4.932 1.00 62.34 C ATOM 600 C MET A 39 -6.622 -6.981 -6.242 1.00 34.44 C ATOM 601 O MET A 39 -5.896 -7.108 -7.227 1.00 11.13 O ATOM 602 CB MET A 39 -4.789 -7.833 -4.726 1.00 52.23 C ATOM 603 CG MET A 39 -4.060 -6.504 -4.526 1.00 53.32 C ATOM 604 SD MET A 39 -4.132 -5.889 -2.824 1.00 72.42 S ATOM 605 CE MET A 39 -5.834 -5.351 -2.670 1.00 15.32 C ATOM 0 H MET A 39 -6.245 -9.815 -5.141 1.00 51.24 H new ATOM 0 HA MET A 39 -6.744 -7.152 -4.113 1.00 62.34 H new ATOM 0 HB2 MET A 39 -4.601 -8.466 -3.859 1.00 52.23 H new ATOM 0 HB3 MET A 39 -4.357 -8.339 -5.589 1.00 52.23 H new ATOM 0 HG2 MET A 39 -3.016 -6.624 -4.817 1.00 53.32 H new ATOM 0 HG3 MET A 39 -4.493 -5.758 -5.192 1.00 53.32 H new ATOM 0 HE1 MET A 39 -5.878 -4.458 -2.046 1.00 15.32 H new ATOM 0 HE2 MET A 39 -6.235 -5.124 -3.658 1.00 15.32 H new ATOM 0 HE3 MET A 39 -6.426 -6.143 -2.212 1.00 15.32 H new ATOM 615 N GLY A 40 -7.721 -6.225 -6.256 1.00 74.32 N ATOM 616 CA GLY A 40 -8.122 -5.506 -7.464 1.00 30.12 C ATOM 617 C GLY A 40 -9.080 -4.344 -7.201 1.00 53.51 C ATOM 618 O GLY A 40 -8.840 -3.222 -7.649 1.00 51.14 O ATOM 0 H GLY A 40 -8.341 -6.096 -5.456 1.00 74.32 H new ATOM 0 HA2 GLY A 40 -7.230 -5.124 -7.961 1.00 30.12 H new ATOM 0 HA3 GLY A 40 -8.595 -6.206 -8.152 1.00 30.12 H new ATOM 622 N GLY A 41 -10.169 -4.608 -6.478 1.00 41.24 N ATOM 623 CA GLY A 41 -11.161 -3.566 -6.194 1.00 70.34 C ATOM 624 C GLY A 41 -10.743 -2.611 -5.077 1.00 72.31 C ATOM 625 O GLY A 41 -11.504 -2.369 -4.139 1.00 4.33 O ATOM 0 H GLY A 41 -10.387 -5.522 -6.082 1.00 41.24 H new ATOM 0 HA2 GLY A 41 -11.343 -2.992 -7.102 1.00 70.34 H new ATOM 0 HA3 GLY A 41 -12.105 -4.039 -5.922 1.00 70.34 H new ATOM 629 N TRP A 42 -9.530 -2.068 -5.185 1.00 64.24 N ATOM 630 CA TRP A 42 -8.969 -1.153 -4.179 1.00 63.31 C ATOM 631 C TRP A 42 -8.182 -0.017 -4.859 1.00 64.41 C ATOM 632 O TRP A 42 -7.481 -0.251 -5.847 1.00 73.42 O ATOM 633 CB TRP A 42 -8.009 -1.905 -3.234 1.00 25.11 C ATOM 634 CG TRP A 42 -8.649 -2.895 -2.304 1.00 3.34 C ATOM 635 CD1 TRP A 42 -9.256 -4.073 -2.636 1.00 40.34 C ATOM 636 CD2 TRP A 42 -8.698 -2.810 -0.876 1.00 61.44 C ATOM 637 NE1 TRP A 42 -9.695 -4.712 -1.504 1.00 33.43 N ATOM 638 CE2 TRP A 42 -9.363 -3.957 -0.412 1.00 3.44 C ATOM 639 CE3 TRP A 42 -8.250 -1.868 0.053 1.00 33.22 C ATOM 640 CZ2 TRP A 42 -9.588 -4.190 0.938 1.00 5.44 C ATOM 641 CZ3 TRP A 42 -8.472 -2.100 1.397 1.00 3.42 C ATOM 642 CH2 TRP A 42 -9.137 -3.255 1.829 1.00 52.13 C ATOM 0 H TRP A 42 -8.905 -2.247 -5.971 1.00 64.24 H new ATOM 0 HA TRP A 42 -9.803 -0.741 -3.610 1.00 63.31 H new ATOM 0 HB2 TRP A 42 -7.270 -2.429 -3.840 1.00 25.11 H new ATOM 0 HB3 TRP A 42 -7.468 -1.171 -2.637 1.00 25.11 H new ATOM 0 HD1 TRP A 42 -9.373 -4.447 -3.642 1.00 40.34 H new ATOM 0 HE1 TRP A 42 -10.188 -5.604 -1.480 1.00 33.43 H new ATOM 0 HE3 TRP A 42 -7.739 -0.974 -0.273 1.00 33.22 H new ATOM 0 HZ2 TRP A 42 -10.102 -5.079 1.273 1.00 5.44 H new ATOM 0 HZ3 TRP A 42 -8.128 -1.380 2.125 1.00 3.42 H new ATOM 0 HH2 TRP A 42 -9.297 -3.410 2.886 1.00 52.13 H new ATOM 653 N GLU A 43 -8.288 1.201 -4.333 1.00 20.22 N ATOM 654 CA GLU A 43 -7.430 2.307 -4.778 1.00 32.13 C ATOM 655 C GLU A 43 -6.677 2.926 -3.591 1.00 42.35 C ATOM 656 O GLU A 43 -7.277 3.307 -2.583 1.00 33.42 O ATOM 657 CB GLU A 43 -8.231 3.389 -5.521 1.00 72.42 C ATOM 658 CG GLU A 43 -7.363 4.555 -6.005 1.00 34.33 C ATOM 659 CD GLU A 43 -8.080 5.501 -6.959 1.00 52.14 C ATOM 660 OE1 GLU A 43 -8.799 6.407 -6.490 1.00 21.32 O ATOM 661 OE2 GLU A 43 -7.910 5.352 -8.190 1.00 44.10 O ATOM 0 H GLU A 43 -8.954 1.451 -3.602 1.00 20.22 H new ATOM 0 HA GLU A 43 -6.705 1.890 -5.477 1.00 32.13 H new ATOM 0 HB2 GLU A 43 -8.732 2.938 -6.377 1.00 72.42 H new ATOM 0 HB3 GLU A 43 -9.010 3.773 -4.862 1.00 72.42 H new ATOM 0 HG2 GLU A 43 -7.016 5.120 -5.140 1.00 34.33 H new ATOM 0 HG3 GLU A 43 -6.478 4.156 -6.501 1.00 34.33 H new ATOM 668 N MET A 44 -5.360 3.012 -3.728 1.00 74.43 N ATOM 669 CA MET A 44 -4.484 3.522 -2.673 1.00 2.13 C ATOM 670 C MET A 44 -4.048 4.972 -2.957 1.00 70.11 C ATOM 671 O MET A 44 -3.366 5.246 -3.943 1.00 63.45 O ATOM 672 CB MET A 44 -3.263 2.599 -2.558 1.00 13.31 C ATOM 673 CG MET A 44 -2.189 3.077 -1.589 1.00 62.32 C ATOM 674 SD MET A 44 -0.864 1.869 -1.376 1.00 61.21 S ATOM 675 CE MET A 44 -0.480 1.484 -3.082 1.00 72.42 C ATOM 0 H MET A 44 -4.865 2.730 -4.574 1.00 74.43 H new ATOM 0 HA MET A 44 -5.029 3.532 -1.729 1.00 2.13 H new ATOM 0 HB2 MET A 44 -3.600 1.611 -2.245 1.00 13.31 H new ATOM 0 HB3 MET A 44 -2.817 2.486 -3.546 1.00 13.31 H new ATOM 0 HG2 MET A 44 -1.767 4.014 -1.952 1.00 62.32 H new ATOM 0 HG3 MET A 44 -2.644 3.287 -0.621 1.00 62.32 H new ATOM 0 HE1 MET A 44 0.510 1.031 -3.139 1.00 72.42 H new ATOM 0 HE2 MET A 44 -1.221 0.787 -3.473 1.00 72.42 H new ATOM 0 HE3 MET A 44 -0.494 2.399 -3.674 1.00 72.42 H new ATOM 685 N ILE A 45 -4.456 5.896 -2.088 1.00 5.44 N ATOM 686 CA ILE A 45 -4.102 7.319 -2.222 1.00 13.02 C ATOM 687 C ILE A 45 -2.938 7.681 -1.275 1.00 24.14 C ATOM 688 O ILE A 45 -2.662 6.954 -0.324 1.00 64.31 O ATOM 689 CB ILE A 45 -5.329 8.222 -1.911 1.00 43.33 C ATOM 690 CG1 ILE A 45 -6.554 7.748 -2.713 1.00 52.12 C ATOM 691 CG2 ILE A 45 -5.025 9.691 -2.218 1.00 14.01 C ATOM 692 CD1 ILE A 45 -7.822 8.518 -2.408 1.00 12.24 C ATOM 0 H ILE A 45 -5.037 5.688 -1.276 1.00 5.44 H new ATOM 0 HA ILE A 45 -3.788 7.491 -3.252 1.00 13.02 H new ATOM 0 HB ILE A 45 -5.550 8.140 -0.847 1.00 43.33 H new ATOM 0 HG12 ILE A 45 -6.335 7.835 -3.777 1.00 52.12 H new ATOM 0 HG13 ILE A 45 -6.724 6.691 -2.507 1.00 52.12 H new ATOM 0 HG21 ILE A 45 -5.901 10.299 -1.991 1.00 14.01 H new ATOM 0 HG22 ILE A 45 -4.185 10.024 -1.609 1.00 14.01 H new ATOM 0 HG23 ILE A 45 -4.773 9.798 -3.273 1.00 14.01 H new ATOM 0 HD11 ILE A 45 -8.640 8.126 -3.012 1.00 12.24 H new ATOM 0 HD12 ILE A 45 -8.067 8.411 -1.351 1.00 12.24 H new ATOM 0 HD13 ILE A 45 -7.672 9.572 -2.641 1.00 12.24 H new ATOM 704 N ARG A 46 -2.254 8.794 -1.529 1.00 13.34 N ATOM 705 CA ARG A 46 -1.103 9.192 -0.709 1.00 54.22 C ATOM 706 C ARG A 46 -0.815 10.700 -0.841 1.00 64.43 C ATOM 707 O ARG A 46 -0.861 11.253 -1.939 1.00 41.14 O ATOM 708 CB ARG A 46 0.115 8.360 -1.134 1.00 32.22 C ATOM 709 CG ARG A 46 1.363 8.537 -0.276 1.00 44.41 C ATOM 710 CD ARG A 46 2.393 7.456 -0.597 1.00 71.35 C ATOM 711 NE ARG A 46 3.655 7.640 0.116 1.00 53.13 N ATOM 712 CZ ARG A 46 3.977 7.014 1.214 1.00 1.01 C ATOM 713 NH1 ARG A 46 3.122 6.238 1.805 1.00 74.44 N ATOM 714 NH2 ARG A 46 5.151 7.178 1.727 1.00 20.24 N ATOM 0 H ARG A 46 -2.472 9.436 -2.291 1.00 13.34 H new ATOM 0 HA ARG A 46 -1.327 9.003 0.341 1.00 54.22 H new ATOM 0 HB2 ARG A 46 -0.165 7.307 -1.124 1.00 32.22 H new ATOM 0 HB3 ARG A 46 0.365 8.614 -2.164 1.00 32.22 H new ATOM 0 HG2 ARG A 46 1.795 9.522 -0.452 1.00 44.41 H new ATOM 0 HG3 ARG A 46 1.095 8.490 0.780 1.00 44.41 H new ATOM 0 HD2 ARG A 46 1.978 6.480 -0.344 1.00 71.35 H new ATOM 0 HD3 ARG A 46 2.585 7.452 -1.670 1.00 71.35 H new ATOM 0 HE ARG A 46 4.328 8.302 -0.270 1.00 53.13 H new ATOM 0 HH11 ARG A 46 2.189 6.113 1.411 1.00 74.44 H new ATOM 0 HH12 ARG A 46 3.382 5.752 2.663 1.00 74.44 H new ATOM 0 HH21 ARG A 46 5.824 7.796 1.274 1.00 20.24 H new ATOM 0 HH22 ARG A 46 5.405 6.690 2.586 1.00 20.24 H new ATOM 728 N LYS A 47 -0.528 11.359 0.286 1.00 13.15 N ATOM 729 CA LYS A 47 -0.273 12.812 0.296 1.00 41.33 C ATOM 730 C LYS A 47 1.089 13.165 0.906 1.00 14.41 C ATOM 731 O LYS A 47 1.568 12.500 1.826 1.00 35.35 O ATOM 732 CB LYS A 47 -1.358 13.555 1.088 1.00 24.25 C ATOM 733 CG LYS A 47 -2.734 13.560 0.440 1.00 24.11 C ATOM 734 CD LYS A 47 -3.684 14.490 1.191 1.00 72.20 C ATOM 735 CE LYS A 47 -5.044 14.582 0.519 1.00 71.32 C ATOM 736 NZ LYS A 47 -5.915 15.595 1.171 1.00 51.53 N ATOM 0 H LYS A 47 -0.465 10.916 1.203 1.00 13.15 H new ATOM 0 HA LYS A 47 -0.283 13.124 -0.748 1.00 41.33 H new ATOM 0 HB2 LYS A 47 -1.440 13.103 2.076 1.00 24.25 H new ATOM 0 HB3 LYS A 47 -1.038 14.587 1.235 1.00 24.25 H new ATOM 0 HG2 LYS A 47 -2.651 13.880 -0.599 1.00 24.11 H new ATOM 0 HG3 LYS A 47 -3.140 12.549 0.431 1.00 24.11 H new ATOM 0 HD2 LYS A 47 -3.809 14.132 2.213 1.00 72.20 H new ATOM 0 HD3 LYS A 47 -3.243 15.485 1.253 1.00 72.20 H new ATOM 0 HE2 LYS A 47 -4.913 14.838 -0.532 1.00 71.32 H new ATOM 0 HE3 LYS A 47 -5.532 13.608 0.552 1.00 71.32 H new ATOM 0 HZ1 LYS A 47 -6.833 15.628 0.684 1.00 51.53 H new ATOM 0 HZ2 LYS A 47 -6.061 15.337 2.168 1.00 51.53 H new ATOM 0 HZ3 LYS A 47 -5.461 16.529 1.118 1.00 51.53 H new ATOM 750 N ILE A 48 1.688 14.239 0.391 1.00 24.45 N ATOM 751 CA ILE A 48 2.906 14.819 0.966 1.00 34.54 C ATOM 752 C ILE A 48 2.832 16.359 0.933 1.00 40.24 C ATOM 753 O ILE A 48 2.883 16.981 -0.133 1.00 10.44 O ATOM 754 CB ILE A 48 4.186 14.323 0.233 1.00 10.20 C ATOM 755 CG1 ILE A 48 5.434 15.049 0.775 1.00 2.12 C ATOM 756 CG2 ILE A 48 4.060 14.501 -1.281 1.00 13.22 C ATOM 757 CD1 ILE A 48 6.728 14.642 0.097 1.00 53.31 C ATOM 0 H ILE A 48 1.345 14.731 -0.434 1.00 24.45 H new ATOM 0 HA ILE A 48 2.972 14.486 2.002 1.00 34.54 H new ATOM 0 HB ILE A 48 4.299 13.257 0.430 1.00 10.20 H new ATOM 0 HG12 ILE A 48 5.296 16.124 0.657 1.00 2.12 H new ATOM 0 HG13 ILE A 48 5.519 14.854 1.844 1.00 2.12 H new ATOM 0 HG21 ILE A 48 4.969 14.146 -1.766 1.00 13.22 H new ATOM 0 HG22 ILE A 48 3.207 13.928 -1.645 1.00 13.22 H new ATOM 0 HG23 ILE A 48 3.914 15.556 -1.512 1.00 13.22 H new ATOM 0 HD11 ILE A 48 7.558 15.197 0.534 1.00 53.31 H new ATOM 0 HD12 ILE A 48 6.892 13.574 0.237 1.00 53.31 H new ATOM 0 HD13 ILE A 48 6.666 14.863 -0.969 1.00 53.31 H new ATOM 769 N GLY A 49 2.688 16.973 2.105 1.00 21.32 N ATOM 770 CA GLY A 49 2.541 18.422 2.181 1.00 3.51 C ATOM 771 C GLY A 49 1.179 18.907 1.686 1.00 34.13 C ATOM 772 O GLY A 49 0.286 19.215 2.481 1.00 13.40 O ATOM 0 H GLY A 49 2.670 16.495 3.006 1.00 21.32 H new ATOM 0 HA2 GLY A 49 2.683 18.743 3.213 1.00 3.51 H new ATOM 0 HA3 GLY A 49 3.326 18.894 1.590 1.00 3.51 H new ATOM 776 N ASP A 50 1.018 18.963 0.368 1.00 54.52 N ATOM 777 CA ASP A 50 -0.241 19.399 -0.246 1.00 21.03 C ATOM 778 C ASP A 50 -0.631 18.500 -1.432 1.00 74.14 C ATOM 779 O ASP A 50 -1.790 18.107 -1.575 1.00 71.22 O ATOM 780 CB ASP A 50 -0.131 20.863 -0.696 1.00 2.44 C ATOM 781 CG ASP A 50 1.013 21.091 -1.673 1.00 11.24 C ATOM 782 OD1 ASP A 50 0.790 20.973 -2.894 1.00 42.02 O ATOM 783 OD2 ASP A 50 2.142 21.381 -1.224 1.00 31.40 O ATOM 0 H ASP A 50 1.745 18.712 -0.302 1.00 54.52 H new ATOM 0 HA ASP A 50 -1.027 19.315 0.504 1.00 21.03 H new ATOM 0 HB2 ASP A 50 -1.068 21.167 -1.162 1.00 2.44 H new ATOM 0 HB3 ASP A 50 0.011 21.498 0.178 1.00 2.44 H new ATOM 788 N THR A 51 0.348 18.173 -2.275 1.00 11.03 N ATOM 789 CA THR A 51 0.111 17.355 -3.471 1.00 34.32 C ATOM 790 C THR A 51 -0.263 15.902 -3.122 1.00 22.23 C ATOM 791 O THR A 51 0.317 15.292 -2.219 1.00 55.33 O ATOM 792 CB THR A 51 1.349 17.360 -4.402 1.00 55.42 C ATOM 793 OG1 THR A 51 1.089 16.599 -5.593 1.00 71.43 O ATOM 794 CG2 THR A 51 2.579 16.798 -3.697 1.00 22.25 C ATOM 0 H THR A 51 1.319 18.462 -2.153 1.00 11.03 H new ATOM 0 HA THR A 51 -0.735 17.806 -3.990 1.00 34.32 H new ATOM 0 HB THR A 51 1.549 18.397 -4.672 1.00 55.42 H new ATOM 0 HG1 THR A 51 1.881 16.614 -6.170 1.00 71.43 H new ATOM 0 HG21 THR A 51 3.429 16.816 -4.379 1.00 22.25 H new ATOM 0 HG22 THR A 51 2.804 17.404 -2.820 1.00 22.25 H new ATOM 0 HG23 THR A 51 2.384 15.771 -3.388 1.00 22.25 H new ATOM 802 N SER A 52 -1.250 15.360 -3.837 1.00 14.40 N ATOM 803 CA SER A 52 -1.709 13.980 -3.617 1.00 61.02 C ATOM 804 C SER A 52 -1.527 13.105 -4.868 1.00 44.54 C ATOM 805 O SER A 52 -1.531 13.597 -5.998 1.00 44.31 O ATOM 806 CB SER A 52 -3.188 13.971 -3.204 1.00 14.24 C ATOM 807 OG SER A 52 -4.010 14.566 -4.199 1.00 62.14 O ATOM 0 H SER A 52 -1.750 15.854 -4.576 1.00 14.40 H new ATOM 0 HA SER A 52 -1.096 13.562 -2.818 1.00 61.02 H new ATOM 0 HB2 SER A 52 -3.512 12.945 -3.029 1.00 14.24 H new ATOM 0 HB3 SER A 52 -3.307 14.508 -2.263 1.00 14.24 H new ATOM 0 HG SER A 52 -4.945 14.543 -3.907 1.00 62.14 H new ATOM 813 N VAL A 53 -1.373 11.804 -4.645 1.00 70.14 N ATOM 814 CA VAL A 53 -1.247 10.814 -5.723 1.00 34.44 C ATOM 815 C VAL A 53 -2.010 9.525 -5.357 1.00 13.01 C ATOM 816 O VAL A 53 -2.172 9.214 -4.178 1.00 74.51 O ATOM 817 CB VAL A 53 0.249 10.482 -6.000 1.00 40.14 C ATOM 818 CG1 VAL A 53 0.933 9.946 -4.739 1.00 53.44 C ATOM 819 CG2 VAL A 53 0.387 9.496 -7.160 1.00 75.42 C ATOM 0 H VAL A 53 -1.331 11.399 -3.710 1.00 70.14 H new ATOM 0 HA VAL A 53 -1.680 11.242 -6.627 1.00 34.44 H new ATOM 0 HB VAL A 53 0.750 11.407 -6.287 1.00 40.14 H new ATOM 0 HG11 VAL A 53 1.977 9.722 -4.959 1.00 53.44 H new ATOM 0 HG12 VAL A 53 0.881 10.696 -3.950 1.00 53.44 H new ATOM 0 HG13 VAL A 53 0.428 9.038 -4.409 1.00 53.44 H new ATOM 0 HG21 VAL A 53 1.442 9.282 -7.332 1.00 75.42 H new ATOM 0 HG22 VAL A 53 -0.136 8.571 -6.916 1.00 75.42 H new ATOM 0 HG23 VAL A 53 -0.046 9.931 -8.061 1.00 75.42 H new ATOM 829 N SER A 54 -2.496 8.787 -6.357 1.00 71.23 N ATOM 830 CA SER A 54 -3.250 7.545 -6.102 1.00 14.11 C ATOM 831 C SER A 54 -2.802 6.400 -7.021 1.00 43.22 C ATOM 832 O SER A 54 -2.094 6.615 -8.008 1.00 3.53 O ATOM 833 CB SER A 54 -4.760 7.782 -6.269 1.00 34.41 C ATOM 834 OG SER A 54 -5.096 8.080 -7.616 1.00 31.20 O ATOM 0 H SER A 54 -2.386 9.020 -7.344 1.00 71.23 H new ATOM 0 HA SER A 54 -3.041 7.253 -5.073 1.00 14.11 H new ATOM 0 HB2 SER A 54 -5.306 6.896 -5.945 1.00 34.41 H new ATOM 0 HB3 SER A 54 -5.073 8.603 -5.625 1.00 34.41 H new ATOM 0 HG SER A 54 -6.063 8.223 -7.688 1.00 31.20 H new ATOM 840 N TYR A 55 -3.213 5.182 -6.673 1.00 73.30 N ATOM 841 CA TYR A 55 -2.880 3.984 -7.454 1.00 24.12 C ATOM 842 C TYR A 55 -3.892 2.857 -7.197 1.00 43.20 C ATOM 843 O TYR A 55 -3.978 2.332 -6.088 1.00 22.42 O ATOM 844 CB TYR A 55 -1.466 3.505 -7.092 1.00 23.31 C ATOM 845 CG TYR A 55 -1.037 2.227 -7.789 1.00 4.41 C ATOM 846 CD1 TYR A 55 -0.632 2.240 -9.119 1.00 70.20 C ATOM 847 CD2 TYR A 55 -1.029 1.009 -7.112 1.00 11.03 C ATOM 848 CE1 TYR A 55 -0.236 1.079 -9.754 1.00 54.30 C ATOM 849 CE2 TYR A 55 -0.636 -0.155 -7.743 1.00 64.35 C ATOM 850 CZ TYR A 55 -0.239 -0.115 -9.062 1.00 13.40 C ATOM 851 OH TYR A 55 0.162 -1.270 -9.693 1.00 74.21 O ATOM 0 H TYR A 55 -3.783 4.994 -5.848 1.00 73.30 H new ATOM 0 HA TYR A 55 -2.920 4.244 -8.512 1.00 24.12 H new ATOM 0 HB2 TYR A 55 -0.755 4.294 -7.337 1.00 23.31 H new ATOM 0 HB3 TYR A 55 -1.413 3.352 -6.014 1.00 23.31 H new ATOM 0 HD1 TYR A 55 -0.627 3.172 -9.664 1.00 70.20 H new ATOM 0 HD2 TYR A 55 -1.335 0.975 -6.077 1.00 11.03 H new ATOM 0 HE1 TYR A 55 0.075 1.106 -10.788 1.00 54.30 H new ATOM 0 HE2 TYR A 55 -0.640 -1.092 -7.205 1.00 64.35 H new ATOM 0 HH TYR A 55 1.126 -1.230 -9.867 1.00 74.21 H new ATOM 861 N LYS A 56 -4.662 2.493 -8.219 1.00 13.01 N ATOM 862 CA LYS A 56 -5.614 1.384 -8.098 1.00 42.22 C ATOM 863 C LYS A 56 -4.918 0.039 -8.345 1.00 44.14 C ATOM 864 O LYS A 56 -4.159 -0.113 -9.303 1.00 13.33 O ATOM 865 CB LYS A 56 -6.779 1.550 -9.088 1.00 42.13 C ATOM 866 CG LYS A 56 -7.948 0.604 -8.816 1.00 70.32 C ATOM 867 CD LYS A 56 -8.984 0.628 -9.937 1.00 42.24 C ATOM 868 CE LYS A 56 -8.476 -0.072 -11.193 1.00 25.02 C ATOM 869 NZ LYS A 56 -8.249 -1.526 -10.962 1.00 21.52 N ATOM 0 H LYS A 56 -4.649 2.943 -9.134 1.00 13.01 H new ATOM 0 HA LYS A 56 -6.009 1.398 -7.082 1.00 42.22 H new ATOM 0 HB2 LYS A 56 -7.137 2.579 -9.047 1.00 42.13 H new ATOM 0 HB3 LYS A 56 -6.412 1.380 -10.100 1.00 42.13 H new ATOM 0 HG2 LYS A 56 -7.570 -0.411 -8.695 1.00 70.32 H new ATOM 0 HG3 LYS A 56 -8.426 0.881 -7.876 1.00 70.32 H new ATOM 0 HD2 LYS A 56 -9.899 0.144 -9.596 1.00 42.24 H new ATOM 0 HD3 LYS A 56 -9.239 1.661 -10.174 1.00 42.24 H new ATOM 0 HE2 LYS A 56 -9.197 0.060 -12.000 1.00 25.02 H new ATOM 0 HE3 LYS A 56 -7.546 0.394 -11.518 1.00 25.02 H new ATOM 0 HZ1 LYS A 56 -8.153 -2.012 -11.876 1.00 21.52 H new ATOM 0 HZ2 LYS A 56 -7.379 -1.658 -10.407 1.00 21.52 H new ATOM 0 HZ3 LYS A 56 -9.056 -1.925 -10.441 1.00 21.52 H new ATOM 883 N TYR A 57 -5.186 -0.933 -7.480 1.00 54.45 N ATOM 884 CA TYR A 57 -4.609 -2.275 -7.614 1.00 23.52 C ATOM 885 C TYR A 57 -5.200 -3.011 -8.835 1.00 33.12 C ATOM 886 O TYR A 57 -6.291 -2.675 -9.313 1.00 12.13 O ATOM 887 CB TYR A 57 -4.859 -3.084 -6.331 1.00 3.14 C ATOM 888 CG TYR A 57 -4.272 -2.455 -5.073 1.00 71.54 C ATOM 889 CD1 TYR A 57 -4.889 -1.370 -4.458 1.00 42.10 C ATOM 890 CD2 TYR A 57 -3.103 -2.946 -4.498 1.00 14.20 C ATOM 891 CE1 TYR A 57 -4.365 -0.797 -3.317 1.00 44.21 C ATOM 892 CE2 TYR A 57 -2.573 -2.378 -3.354 1.00 23.30 C ATOM 893 CZ TYR A 57 -3.208 -1.304 -2.768 1.00 31.13 C ATOM 894 OH TYR A 57 -2.688 -0.735 -1.628 1.00 4.30 O ATOM 0 H TYR A 57 -5.801 -0.821 -6.674 1.00 54.45 H new ATOM 0 HA TYR A 57 -3.535 -2.174 -7.768 1.00 23.52 H new ATOM 0 HB2 TYR A 57 -5.934 -3.206 -6.195 1.00 3.14 H new ATOM 0 HB3 TYR A 57 -4.438 -4.082 -6.456 1.00 3.14 H new ATOM 0 HD1 TYR A 57 -5.797 -0.968 -4.882 1.00 42.10 H new ATOM 0 HD2 TYR A 57 -2.601 -3.786 -4.954 1.00 14.20 H new ATOM 0 HE1 TYR A 57 -4.860 0.045 -2.857 1.00 44.21 H new ATOM 0 HE2 TYR A 57 -1.666 -2.774 -2.922 1.00 23.30 H new ATOM 0 HH TYR A 57 -2.220 0.094 -1.860 1.00 4.30 H new ATOM 904 N THR A 58 -4.481 -4.011 -9.341 1.00 71.23 N ATOM 905 CA THR A 58 -4.938 -4.775 -10.514 1.00 43.32 C ATOM 906 C THR A 58 -5.098 -6.268 -10.186 1.00 62.44 C ATOM 907 O THR A 58 -4.192 -6.902 -9.641 1.00 30.42 O ATOM 908 CB THR A 58 -3.979 -4.609 -11.721 1.00 2.55 C ATOM 909 OG1 THR A 58 -4.467 -5.354 -12.845 1.00 11.14 O ATOM 910 CG2 THR A 58 -2.559 -5.062 -11.387 1.00 54.31 C ATOM 0 H THR A 58 -3.583 -4.315 -8.964 1.00 71.23 H new ATOM 0 HA THR A 58 -5.911 -4.367 -10.787 1.00 43.32 H new ATOM 0 HB THR A 58 -3.945 -3.547 -11.966 1.00 2.55 H new ATOM 0 HG1 THR A 58 -3.856 -5.241 -13.603 1.00 11.14 H new ATOM 0 HG21 THR A 58 -1.920 -4.929 -12.260 1.00 54.31 H new ATOM 0 HG22 THR A 58 -2.172 -4.467 -10.560 1.00 54.31 H new ATOM 0 HG23 THR A 58 -2.570 -6.114 -11.103 1.00 54.31 H new ATOM 918 N SER A 59 -6.258 -6.828 -10.530 1.00 13.34 N ATOM 919 CA SER A 59 -6.581 -8.217 -10.175 1.00 74.21 C ATOM 920 C SER A 59 -5.860 -9.225 -11.079 1.00 20.34 C ATOM 921 O SER A 59 -6.389 -9.648 -12.110 1.00 54.03 O ATOM 922 CB SER A 59 -8.098 -8.456 -10.238 1.00 43.25 C ATOM 923 OG SER A 59 -8.434 -9.784 -9.858 1.00 54.45 O ATOM 0 H SER A 59 -6.990 -6.346 -11.052 1.00 13.34 H new ATOM 0 HA SER A 59 -6.233 -8.372 -9.154 1.00 74.21 H new ATOM 0 HB2 SER A 59 -8.606 -7.749 -9.582 1.00 43.25 H new ATOM 0 HB3 SER A 59 -8.455 -8.265 -11.250 1.00 43.25 H new ATOM 0 HG SER A 59 -9.406 -9.902 -9.907 1.00 54.45 H new ATOM 929 N ARG A 60 -4.628 -9.570 -10.713 1.00 11.32 N ATOM 930 CA ARG A 60 -3.882 -10.639 -11.393 1.00 55.55 C ATOM 931 C ARG A 60 -3.527 -11.769 -10.413 1.00 1.43 C ATOM 932 O ARG A 60 -2.824 -12.719 -10.768 1.00 31.14 O ATOM 933 CB ARG A 60 -2.597 -10.088 -12.033 1.00 13.25 C ATOM 934 CG ARG A 60 -1.613 -9.490 -11.033 1.00 4.24 C ATOM 935 CD ARG A 60 -0.195 -9.439 -11.588 1.00 1.01 C ATOM 936 NE ARG A 60 -0.072 -8.577 -12.764 1.00 52.31 N ATOM 937 CZ ARG A 60 0.970 -8.564 -13.555 1.00 71.44 C ATOM 938 NH1 ARG A 60 1.954 -9.388 -13.364 1.00 41.24 N ATOM 939 NH2 ARG A 60 1.017 -7.733 -14.545 1.00 62.42 N ATOM 0 H ARG A 60 -4.119 -9.127 -9.948 1.00 11.32 H new ATOM 0 HA ARG A 60 -4.523 -11.041 -12.177 1.00 55.55 H new ATOM 0 HB2 ARG A 60 -2.102 -10.891 -12.578 1.00 13.25 H new ATOM 0 HB3 ARG A 60 -2.866 -9.325 -12.764 1.00 13.25 H new ATOM 0 HG2 ARG A 60 -1.934 -8.483 -10.766 1.00 4.24 H new ATOM 0 HG3 ARG A 60 -1.623 -10.081 -10.117 1.00 4.24 H new ATOM 0 HD2 ARG A 60 0.481 -9.082 -10.811 1.00 1.01 H new ATOM 0 HD3 ARG A 60 0.124 -10.448 -11.849 1.00 1.01 H new ATOM 0 HE ARG A 60 -0.845 -7.948 -12.980 1.00 52.31 H new ATOM 0 HH11 ARG A 60 1.919 -10.053 -12.592 1.00 41.24 H new ATOM 0 HH12 ARG A 60 2.762 -9.370 -13.986 1.00 41.24 H new ATOM 0 HH21 ARG A 60 0.243 -7.089 -14.708 1.00 62.42 H new ATOM 0 HH22 ARG A 60 1.828 -7.721 -15.163 1.00 62.42 H new ATOM 953 N TYR A 61 -4.021 -11.654 -9.180 1.00 70.35 N ATOM 954 CA TYR A 61 -3.736 -12.629 -8.126 1.00 10.22 C ATOM 955 C TYR A 61 -4.613 -12.367 -6.893 1.00 54.42 C ATOM 956 O TYR A 61 -5.343 -11.375 -6.829 1.00 63.04 O ATOM 957 CB TYR A 61 -2.249 -12.564 -7.724 1.00 3.10 C ATOM 958 CG TYR A 61 -1.872 -11.301 -6.959 1.00 12.51 C ATOM 959 CD1 TYR A 61 -1.878 -10.057 -7.580 1.00 25.20 C ATOM 960 CD2 TYR A 61 -1.524 -11.353 -5.611 1.00 34.11 C ATOM 961 CE1 TYR A 61 -1.547 -8.908 -6.886 1.00 63.21 C ATOM 962 CE2 TYR A 61 -1.193 -10.208 -4.913 1.00 31.34 C ATOM 963 CZ TYR A 61 -1.204 -8.990 -5.556 1.00 5.31 C ATOM 964 OH TYR A 61 -0.873 -7.849 -4.863 1.00 44.44 O ATOM 0 H TYR A 61 -4.626 -10.888 -8.885 1.00 70.35 H new ATOM 0 HA TYR A 61 -3.961 -13.622 -8.514 1.00 10.22 H new ATOM 0 HB2 TYR A 61 -2.010 -13.433 -7.111 1.00 3.10 H new ATOM 0 HB3 TYR A 61 -1.636 -12.629 -8.623 1.00 3.10 H new ATOM 0 HD1 TYR A 61 -2.146 -9.987 -8.624 1.00 25.20 H new ATOM 0 HD2 TYR A 61 -1.513 -12.306 -5.103 1.00 34.11 H new ATOM 0 HE1 TYR A 61 -1.558 -7.950 -7.385 1.00 63.21 H new ATOM 0 HE2 TYR A 61 -0.927 -10.267 -3.868 1.00 31.34 H new ATOM 0 HH TYR A 61 0.095 -7.829 -4.708 1.00 44.44 H new ATOM 974 N VAL A 62 -4.534 -13.263 -5.916 1.00 12.34 N ATOM 975 CA VAL A 62 -5.209 -13.076 -4.630 1.00 4.32 C ATOM 976 C VAL A 62 -4.186 -12.850 -3.506 1.00 23.03 C ATOM 977 O VAL A 62 -3.220 -13.604 -3.369 1.00 1.50 O ATOM 978 CB VAL A 62 -6.118 -14.289 -4.282 1.00 62.41 C ATOM 979 CG1 VAL A 62 -7.276 -14.396 -5.272 1.00 14.25 C ATOM 980 CG2 VAL A 62 -5.312 -15.588 -4.256 1.00 32.53 C ATOM 0 H VAL A 62 -4.006 -14.133 -5.988 1.00 12.34 H new ATOM 0 HA VAL A 62 -5.840 -12.191 -4.720 1.00 4.32 H new ATOM 0 HB VAL A 62 -6.530 -14.126 -3.286 1.00 62.41 H new ATOM 0 HG11 VAL A 62 -7.900 -15.251 -5.011 1.00 14.25 H new ATOM 0 HG12 VAL A 62 -7.873 -13.485 -5.233 1.00 14.25 H new ATOM 0 HG13 VAL A 62 -6.882 -14.528 -6.280 1.00 14.25 H new ATOM 0 HG21 VAL A 62 -5.971 -16.420 -4.010 1.00 32.53 H new ATOM 0 HG22 VAL A 62 -4.863 -15.757 -5.235 1.00 32.53 H new ATOM 0 HG23 VAL A 62 -4.526 -15.514 -3.504 1.00 32.53 H new ATOM 990 N LEU A 63 -4.382 -11.790 -2.724 1.00 3.32 N ATOM 991 CA LEU A 63 -3.492 -11.485 -1.601 1.00 5.40 C ATOM 992 C LEU A 63 -3.621 -12.580 -0.530 1.00 61.34 C ATOM 993 O LEU A 63 -4.621 -12.647 0.191 1.00 43.24 O ATOM 994 CB LEU A 63 -3.823 -10.098 -1.010 1.00 63.23 C ATOM 995 CG LEU A 63 -2.628 -9.317 -0.420 1.00 52.22 C ATOM 996 CD1 LEU A 63 -3.091 -7.991 0.179 1.00 43.12 C ATOM 997 CD2 LEU A 63 -1.875 -10.141 0.623 1.00 10.05 C ATOM 0 H LEU A 63 -5.148 -11.127 -2.846 1.00 3.32 H new ATOM 0 HA LEU A 63 -2.462 -11.460 -1.957 1.00 5.40 H new ATOM 0 HB2 LEU A 63 -4.280 -9.491 -1.791 1.00 63.23 H new ATOM 0 HB3 LEU A 63 -4.571 -10.226 -0.228 1.00 63.23 H new ATOM 0 HG LEU A 63 -1.939 -9.109 -1.238 1.00 52.22 H new ATOM 0 HD11 LEU A 63 -2.233 -7.458 0.589 1.00 43.12 H new ATOM 0 HD12 LEU A 63 -3.559 -7.385 -0.597 1.00 43.12 H new ATOM 0 HD13 LEU A 63 -3.812 -8.183 0.973 1.00 43.12 H new ATOM 0 HD21 LEU A 63 -1.042 -9.558 1.015 1.00 10.05 H new ATOM 0 HD22 LEU A 63 -2.551 -10.401 1.438 1.00 10.05 H new ATOM 0 HD23 LEU A 63 -1.495 -11.052 0.161 1.00 10.05 H new ATOM 1009 N LYS A 64 -2.605 -13.437 -0.450 1.00 11.41 N ATOM 1010 CA LYS A 64 -2.631 -14.603 0.438 1.00 34.53 C ATOM 1011 C LYS A 64 -2.926 -14.229 1.901 1.00 1.35 C ATOM 1012 O LYS A 64 -2.388 -13.255 2.434 1.00 32.11 O ATOM 1013 CB LYS A 64 -1.298 -15.361 0.349 1.00 22.24 C ATOM 1014 CG LYS A 64 -0.980 -15.890 -1.051 1.00 13.22 C ATOM 1015 CD LYS A 64 0.360 -16.629 -1.094 1.00 23.10 C ATOM 1016 CE LYS A 64 1.521 -15.719 -0.706 1.00 63.10 C ATOM 1017 NZ LYS A 64 2.825 -16.436 -0.708 1.00 24.02 N ATOM 0 H LYS A 64 -1.746 -13.346 -0.993 1.00 11.41 H new ATOM 0 HA LYS A 64 -3.446 -15.243 0.101 1.00 34.53 H new ATOM 0 HB2 LYS A 64 -0.493 -14.700 0.669 1.00 22.24 H new ATOM 0 HB3 LYS A 64 -1.319 -16.198 1.047 1.00 22.24 H new ATOM 0 HG2 LYS A 64 -1.775 -16.562 -1.374 1.00 13.22 H new ATOM 0 HG3 LYS A 64 -0.959 -15.059 -1.756 1.00 13.22 H new ATOM 0 HD2 LYS A 64 0.326 -17.483 -0.418 1.00 23.10 H new ATOM 0 HD3 LYS A 64 0.526 -17.023 -2.097 1.00 23.10 H new ATOM 0 HE2 LYS A 64 1.569 -14.880 -1.400 1.00 63.10 H new ATOM 0 HE3 LYS A 64 1.339 -15.304 0.285 1.00 63.10 H new ATOM 0 HZ1 LYS A 64 3.512 -15.909 -0.132 1.00 24.02 H new ATOM 0 HZ2 LYS A 64 2.698 -17.388 -0.310 1.00 24.02 H new ATOM 0 HZ3 LYS A 64 3.177 -16.513 -1.683 1.00 24.02 H new ATOM 1031 N ALA A 65 -3.799 -15.010 2.532 1.00 12.44 N ATOM 1032 CA ALA A 65 -4.129 -14.837 3.950 1.00 51.21 C ATOM 1033 C ALA A 65 -2.875 -14.917 4.834 1.00 64.44 C ATOM 1034 O ALA A 65 -2.086 -15.857 4.724 1.00 72.10 O ATOM 1035 CB ALA A 65 -5.143 -15.894 4.372 1.00 53.35 C ATOM 0 H ALA A 65 -4.297 -15.777 2.081 1.00 12.44 H new ATOM 0 HA ALA A 65 -4.561 -13.845 4.082 1.00 51.21 H new ATOM 0 HB1 ALA A 65 -5.387 -15.764 5.426 1.00 53.35 H new ATOM 0 HB2 ALA A 65 -6.048 -15.789 3.774 1.00 53.35 H new ATOM 0 HB3 ALA A 65 -4.720 -16.886 4.218 1.00 53.35 H new ATOM 1041 N GLY A 66 -2.691 -13.925 5.700 1.00 32.15 N ATOM 1042 CA GLY A 66 -1.524 -13.896 6.576 1.00 3.13 C ATOM 1043 C GLY A 66 -0.214 -13.638 5.833 1.00 33.40 C ATOM 1044 O GLY A 66 0.842 -14.133 6.228 1.00 53.43 O ATOM 0 H GLY A 66 -3.329 -13.137 5.814 1.00 32.15 H new ATOM 0 HA2 GLY A 66 -1.664 -13.121 7.330 1.00 3.13 H new ATOM 0 HA3 GLY A 66 -1.452 -14.846 7.105 1.00 3.13 H new ATOM 1048 N GLN A 67 -0.275 -12.852 4.759 1.00 72.04 N ATOM 1049 CA GLN A 67 0.911 -12.554 3.943 1.00 53.33 C ATOM 1050 C GLN A 67 1.103 -11.041 3.745 1.00 42.15 C ATOM 1051 O GLN A 67 0.138 -10.273 3.721 1.00 34.04 O ATOM 1052 CB GLN A 67 0.785 -13.249 2.578 1.00 35.34 C ATOM 1053 CG GLN A 67 1.970 -13.034 1.632 1.00 34.54 C ATOM 1054 CD GLN A 67 3.167 -13.939 1.908 1.00 41.24 C ATOM 1055 OE1 GLN A 67 3.880 -14.324 0.988 1.00 62.23 O ATOM 1056 NE2 GLN A 67 3.413 -14.277 3.160 1.00 2.21 N ATOM 0 H GLN A 67 -1.132 -12.408 4.430 1.00 72.04 H new ATOM 0 HA GLN A 67 1.786 -12.931 4.472 1.00 53.33 H new ATOM 0 HB2 GLN A 67 0.660 -14.319 2.742 1.00 35.34 H new ATOM 0 HB3 GLN A 67 -0.121 -12.893 2.088 1.00 35.34 H new ATOM 0 HG2 GLN A 67 1.636 -13.196 0.607 1.00 34.54 H new ATOM 0 HG3 GLN A 67 2.291 -11.995 1.702 1.00 34.54 H new ATOM 0 HE21 GLN A 67 2.804 -13.943 3.907 1.00 2.21 H new ATOM 0 HE22 GLN A 67 4.212 -14.872 3.380 1.00 2.21 H new ATOM 1065 N THR A 68 2.362 -10.622 3.609 1.00 35.31 N ATOM 1066 CA THR A 68 2.700 -9.218 3.352 1.00 0.32 C ATOM 1067 C THR A 68 2.914 -8.949 1.856 1.00 11.21 C ATOM 1068 O THR A 68 3.588 -9.717 1.169 1.00 34.12 O ATOM 1069 CB THR A 68 3.989 -8.798 4.097 1.00 51.24 C ATOM 1070 OG1 THR A 68 5.091 -9.627 3.691 1.00 61.30 O ATOM 1071 CG2 THR A 68 3.812 -8.894 5.606 1.00 44.45 C ATOM 0 H THR A 68 3.172 -11.239 3.673 1.00 35.31 H new ATOM 0 HA THR A 68 1.853 -8.636 3.715 1.00 0.32 H new ATOM 0 HB THR A 68 4.197 -7.760 3.838 1.00 51.24 H new ATOM 0 HG1 THR A 68 4.974 -9.890 2.754 1.00 61.30 H new ATOM 0 HG21 THR A 68 4.735 -8.592 6.101 1.00 44.45 H new ATOM 0 HG22 THR A 68 3.001 -8.237 5.920 1.00 44.45 H new ATOM 0 HG23 THR A 68 3.573 -9.922 5.880 1.00 44.45 H new ATOM 1079 N VAL A 69 2.349 -7.848 1.366 1.00 4.43 N ATOM 1080 CA VAL A 69 2.537 -7.421 -0.029 1.00 52.51 C ATOM 1081 C VAL A 69 3.350 -6.115 -0.097 1.00 13.03 C ATOM 1082 O VAL A 69 3.095 -5.174 0.661 1.00 34.13 O ATOM 1083 CB VAL A 69 1.176 -7.229 -0.755 1.00 64.51 C ATOM 1084 CG1 VAL A 69 0.310 -6.191 -0.044 1.00 52.23 C ATOM 1085 CG2 VAL A 69 1.388 -6.848 -2.225 1.00 73.11 C ATOM 0 H VAL A 69 1.753 -7.228 1.914 1.00 4.43 H new ATOM 0 HA VAL A 69 3.089 -8.212 -0.537 1.00 52.51 H new ATOM 0 HB VAL A 69 0.647 -8.182 -0.724 1.00 64.51 H new ATOM 0 HG11 VAL A 69 -0.635 -6.080 -0.576 1.00 52.23 H new ATOM 0 HG12 VAL A 69 0.115 -6.518 0.977 1.00 52.23 H new ATOM 0 HG13 VAL A 69 0.831 -5.234 -0.025 1.00 52.23 H new ATOM 0 HG21 VAL A 69 0.421 -6.719 -2.711 1.00 73.11 H new ATOM 0 HG22 VAL A 69 1.949 -5.915 -2.282 1.00 73.11 H new ATOM 0 HG23 VAL A 69 1.945 -7.638 -2.729 1.00 73.11 H new ATOM 1095 N THR A 70 4.335 -6.063 -0.996 1.00 63.31 N ATOM 1096 CA THR A 70 5.213 -4.889 -1.113 1.00 43.41 C ATOM 1097 C THR A 70 4.868 -4.034 -2.342 1.00 42.41 C ATOM 1098 O THR A 70 4.934 -4.496 -3.480 1.00 22.22 O ATOM 1099 CB THR A 70 6.703 -5.302 -1.198 1.00 74.12 C ATOM 1100 OG1 THR A 70 7.029 -6.186 -0.117 1.00 72.30 O ATOM 1101 CG2 THR A 70 7.617 -4.081 -1.152 1.00 73.20 C ATOM 0 H THR A 70 4.547 -6.814 -1.652 1.00 63.31 H new ATOM 0 HA THR A 70 5.050 -4.298 -0.212 1.00 43.41 H new ATOM 0 HB THR A 70 6.857 -5.812 -2.149 1.00 74.12 H new ATOM 0 HG1 THR A 70 7.972 -6.444 -0.179 1.00 72.30 H new ATOM 0 HG21 THR A 70 8.657 -4.402 -1.213 1.00 73.20 H new ATOM 0 HG22 THR A 70 7.390 -3.425 -1.992 1.00 73.20 H new ATOM 0 HG23 THR A 70 7.458 -3.543 -0.218 1.00 73.20 H new ATOM 1109 N ILE A 71 4.485 -2.785 -2.098 1.00 31.13 N ATOM 1110 CA ILE A 71 4.221 -1.827 -3.170 1.00 44.10 C ATOM 1111 C ILE A 71 5.502 -1.067 -3.553 1.00 32.15 C ATOM 1112 O ILE A 71 5.927 -0.153 -2.843 1.00 22.45 O ATOM 1113 CB ILE A 71 3.127 -0.804 -2.758 1.00 43.50 C ATOM 1114 CG1 ILE A 71 1.849 -1.529 -2.299 1.00 32.41 C ATOM 1115 CG2 ILE A 71 2.819 0.151 -3.914 1.00 14.41 C ATOM 1116 CD1 ILE A 71 1.214 -2.403 -3.364 1.00 4.23 C ATOM 0 H ILE A 71 4.349 -2.409 -1.160 1.00 31.13 H new ATOM 0 HA ILE A 71 3.867 -2.397 -4.029 1.00 44.10 H new ATOM 0 HB ILE A 71 3.506 -0.218 -1.921 1.00 43.50 H new ATOM 0 HG12 ILE A 71 2.086 -2.146 -1.432 1.00 32.41 H new ATOM 0 HG13 ILE A 71 1.121 -0.787 -1.972 1.00 32.41 H new ATOM 0 HG21 ILE A 71 2.050 0.860 -3.606 1.00 14.41 H new ATOM 0 HG22 ILE A 71 3.724 0.693 -4.189 1.00 14.41 H new ATOM 0 HG23 ILE A 71 2.463 -0.419 -4.772 1.00 14.41 H new ATOM 0 HD11 ILE A 71 0.320 -2.877 -2.960 1.00 4.23 H new ATOM 0 HD12 ILE A 71 0.943 -1.790 -4.224 1.00 4.23 H new ATOM 0 HD13 ILE A 71 1.923 -3.171 -3.675 1.00 4.23 H new ATOM 1128 N TRP A 72 6.120 -1.461 -4.665 1.00 3.44 N ATOM 1129 CA TRP A 72 7.350 -0.820 -5.150 1.00 10.12 C ATOM 1130 C TRP A 72 7.040 0.434 -5.983 1.00 20.41 C ATOM 1131 O TRP A 72 6.287 0.370 -6.947 1.00 43.15 O ATOM 1132 CB TRP A 72 8.161 -1.807 -6.001 1.00 0.42 C ATOM 1133 CG TRP A 72 8.660 -3.004 -5.246 1.00 54.35 C ATOM 1134 CD1 TRP A 72 8.005 -4.186 -5.044 1.00 73.44 C ATOM 1135 CD2 TRP A 72 9.932 -3.133 -4.598 1.00 3.51 C ATOM 1136 NE1 TRP A 72 8.792 -5.041 -4.312 1.00 30.31 N ATOM 1137 CE2 TRP A 72 9.977 -4.418 -4.024 1.00 10.20 C ATOM 1138 CE3 TRP A 72 11.035 -2.287 -4.445 1.00 1.33 C ATOM 1139 CZ2 TRP A 72 11.081 -4.876 -3.312 1.00 1.22 C ATOM 1140 CZ3 TRP A 72 12.133 -2.744 -3.737 1.00 63.11 C ATOM 1141 CH2 TRP A 72 12.148 -4.028 -3.179 1.00 74.14 C ATOM 0 H TRP A 72 5.790 -2.226 -5.253 1.00 3.44 H new ATOM 0 HA TRP A 72 7.931 -0.520 -4.278 1.00 10.12 H new ATOM 0 HB2 TRP A 72 7.542 -2.147 -6.831 1.00 0.42 H new ATOM 0 HB3 TRP A 72 9.013 -1.282 -6.433 1.00 0.42 H new ATOM 0 HD1 TRP A 72 7.014 -4.414 -5.407 1.00 73.44 H new ATOM 0 HE1 TRP A 72 8.535 -5.987 -4.029 1.00 30.31 H new ATOM 0 HE3 TRP A 72 11.030 -1.295 -4.872 1.00 1.33 H new ATOM 0 HZ2 TRP A 72 11.096 -5.865 -2.879 1.00 1.22 H new ATOM 0 HZ3 TRP A 72 12.991 -2.100 -3.613 1.00 63.11 H new ATOM 0 HH2 TRP A 72 13.019 -4.357 -2.632 1.00 74.14 H new ATOM 1152 N ALA A 73 7.627 1.567 -5.617 1.00 24.31 N ATOM 1153 CA ALA A 73 7.420 2.818 -6.358 1.00 51.41 C ATOM 1154 C ALA A 73 8.136 2.799 -7.721 1.00 15.34 C ATOM 1155 O ALA A 73 8.757 1.804 -8.098 1.00 62.43 O ATOM 1156 CB ALA A 73 7.895 4.004 -5.525 1.00 24.31 C ATOM 0 H ALA A 73 8.250 1.652 -4.814 1.00 24.31 H new ATOM 0 HA ALA A 73 6.352 2.919 -6.551 1.00 51.41 H new ATOM 0 HB1 ALA A 73 7.737 4.927 -6.083 1.00 24.31 H new ATOM 0 HB2 ALA A 73 7.331 4.043 -4.593 1.00 24.31 H new ATOM 0 HB3 ALA A 73 8.956 3.891 -5.303 1.00 24.31 H new ATOM 1162 N ALA A 74 8.055 3.912 -8.456 1.00 54.14 N ATOM 1163 CA ALA A 74 8.721 4.043 -9.763 1.00 21.01 C ATOM 1164 C ALA A 74 10.243 3.835 -9.662 1.00 21.02 C ATOM 1165 O ALA A 74 10.916 3.594 -10.664 1.00 61.45 O ATOM 1166 CB ALA A 74 8.412 5.408 -10.374 1.00 71.30 C ATOM 0 H ALA A 74 7.533 4.741 -8.170 1.00 54.14 H new ATOM 0 HA ALA A 74 8.330 3.258 -10.411 1.00 21.01 H new ATOM 0 HB1 ALA A 74 8.909 5.495 -11.340 1.00 71.30 H new ATOM 0 HB2 ALA A 74 7.335 5.511 -10.509 1.00 71.30 H new ATOM 0 HB3 ALA A 74 8.771 6.194 -9.709 1.00 71.30 H new ATOM 1172 N ASN A 75 10.776 3.923 -8.445 1.00 12.41 N ATOM 1173 CA ASN A 75 12.205 3.699 -8.197 1.00 35.04 C ATOM 1174 C ASN A 75 12.481 2.232 -7.814 1.00 33.11 C ATOM 1175 O ASN A 75 13.533 1.919 -7.249 1.00 34.51 O ATOM 1176 CB ASN A 75 12.689 4.622 -7.072 1.00 43.11 C ATOM 1177 CG ASN A 75 12.371 6.084 -7.328 1.00 41.20 C ATOM 1178 OD1 ASN A 75 12.283 6.534 -8.466 1.00 30.32 O ATOM 1179 ND2 ASN A 75 12.190 6.841 -6.266 1.00 52.44 N ATOM 0 H ASN A 75 10.238 4.149 -7.608 1.00 12.41 H new ATOM 0 HA ASN A 75 12.747 3.922 -9.116 1.00 35.04 H new ATOM 0 HB2 ASN A 75 12.228 4.314 -6.133 1.00 43.11 H new ATOM 0 HB3 ASN A 75 13.766 4.506 -6.952 1.00 43.11 H new ATOM 0 HD21 ASN A 75 11.970 7.831 -6.377 1.00 52.44 H new ATOM 0 HD22 ASN A 75 12.270 6.438 -5.333 1.00 52.44 H new ATOM 1186 N ALA A 76 11.533 1.348 -8.144 1.00 75.13 N ATOM 1187 CA ALA A 76 11.592 -0.075 -7.776 1.00 65.11 C ATOM 1188 C ALA A 76 12.960 -0.723 -8.049 1.00 3.54 C ATOM 1189 O ALA A 76 13.623 -1.200 -7.128 1.00 22.54 O ATOM 1190 CB ALA A 76 10.503 -0.843 -8.519 1.00 34.11 C ATOM 0 H ALA A 76 10.699 1.598 -8.676 1.00 75.13 H new ATOM 0 HA ALA A 76 11.432 -0.125 -6.699 1.00 65.11 H new ATOM 0 HB1 ALA A 76 10.549 -1.897 -8.244 1.00 34.11 H new ATOM 0 HB2 ALA A 76 9.526 -0.441 -8.251 1.00 34.11 H new ATOM 0 HB3 ALA A 76 10.655 -0.741 -9.594 1.00 34.11 H new ATOM 1196 N GLY A 77 13.374 -0.749 -9.317 1.00 3.44 N ATOM 1197 CA GLY A 77 14.609 -1.441 -9.688 1.00 62.14 C ATOM 1198 C GLY A 77 14.483 -2.962 -9.606 1.00 22.54 C ATOM 1199 O GLY A 77 15.480 -3.678 -9.491 1.00 54.11 O ATOM 0 H GLY A 77 12.881 -0.307 -10.093 1.00 3.44 H new ATOM 0 HA2 GLY A 77 14.888 -1.158 -10.703 1.00 62.14 H new ATOM 0 HA3 GLY A 77 15.415 -1.112 -9.033 1.00 62.14 H new ATOM 1203 N VAL A 78 13.244 -3.452 -9.661 1.00 40.21 N ATOM 1204 CA VAL A 78 12.959 -4.891 -9.587 1.00 73.22 C ATOM 1205 C VAL A 78 12.077 -5.335 -10.763 1.00 0.31 C ATOM 1206 O VAL A 78 11.812 -4.552 -11.678 1.00 33.45 O ATOM 1207 CB VAL A 78 12.250 -5.253 -8.255 1.00 2.11 C ATOM 1208 CG1 VAL A 78 13.115 -4.861 -7.057 1.00 23.22 C ATOM 1209 CG2 VAL A 78 10.874 -4.594 -8.168 1.00 63.41 C ATOM 0 H VAL A 78 12.412 -2.869 -9.757 1.00 40.21 H new ATOM 0 HA VAL A 78 13.915 -5.413 -9.635 1.00 73.22 H new ATOM 0 HB VAL A 78 12.107 -6.333 -8.234 1.00 2.11 H new ATOM 0 HG11 VAL A 78 12.599 -5.124 -6.134 1.00 23.22 H new ATOM 0 HG12 VAL A 78 14.065 -5.392 -7.105 1.00 23.22 H new ATOM 0 HG13 VAL A 78 13.299 -3.787 -7.077 1.00 23.22 H new ATOM 0 HG21 VAL A 78 10.400 -4.865 -7.225 1.00 63.41 H new ATOM 0 HG22 VAL A 78 10.985 -3.511 -8.220 1.00 63.41 H new ATOM 0 HG23 VAL A 78 10.254 -4.936 -8.997 1.00 63.41 H new ATOM 1219 N THR A 79 11.625 -6.590 -10.739 1.00 70.10 N ATOM 1220 CA THR A 79 10.708 -7.102 -11.768 1.00 12.24 C ATOM 1221 C THR A 79 9.392 -6.307 -11.789 1.00 22.41 C ATOM 1222 O THR A 79 8.689 -6.215 -10.783 1.00 64.34 O ATOM 1223 CB THR A 79 10.389 -8.606 -11.556 1.00 25.22 C ATOM 1224 OG1 THR A 79 9.897 -8.831 -10.223 1.00 10.34 O ATOM 1225 CG2 THR A 79 11.624 -9.470 -11.802 1.00 3.41 C ATOM 0 H THR A 79 11.876 -7.271 -10.022 1.00 70.10 H new ATOM 0 HA THR A 79 11.217 -6.981 -12.724 1.00 12.24 H new ATOM 0 HB THR A 79 9.620 -8.888 -12.275 1.00 25.22 H new ATOM 0 HG1 THR A 79 9.452 -8.021 -9.897 1.00 10.34 H new ATOM 0 HG21 THR A 79 11.371 -10.519 -11.646 1.00 3.41 H new ATOM 0 HG22 THR A 79 11.969 -9.328 -12.826 1.00 3.41 H new ATOM 0 HG23 THR A 79 12.414 -9.181 -11.109 1.00 3.41 H new ATOM 1233 N ALA A 80 9.054 -5.748 -12.949 1.00 43.30 N ATOM 1234 CA ALA A 80 7.869 -4.891 -13.086 1.00 63.23 C ATOM 1235 C ALA A 80 6.565 -5.705 -13.176 1.00 34.00 C ATOM 1236 O ALA A 80 5.496 -5.156 -13.458 1.00 23.22 O ATOM 1237 CB ALA A 80 8.019 -3.999 -14.314 1.00 64.21 C ATOM 0 H ALA A 80 9.583 -5.871 -13.812 1.00 43.30 H new ATOM 0 HA ALA A 80 7.801 -4.277 -12.188 1.00 63.23 H new ATOM 0 HB1 ALA A 80 7.138 -3.365 -14.413 1.00 64.21 H new ATOM 0 HB2 ALA A 80 8.906 -3.374 -14.204 1.00 64.21 H new ATOM 0 HB3 ALA A 80 8.121 -4.620 -15.204 1.00 64.21 H new ATOM 1243 N SER A 81 6.653 -7.009 -12.929 1.00 12.33 N ATOM 1244 CA SER A 81 5.484 -7.893 -13.006 1.00 60.31 C ATOM 1245 C SER A 81 5.398 -8.848 -11.803 1.00 12.55 C ATOM 1246 O SER A 81 6.310 -9.645 -11.571 1.00 51.23 O ATOM 1247 CB SER A 81 5.522 -8.717 -14.303 1.00 11.14 C ATOM 1248 OG SER A 81 4.405 -9.593 -14.389 1.00 72.33 O ATOM 0 H SER A 81 7.520 -7.481 -12.673 1.00 12.33 H new ATOM 0 HA SER A 81 4.601 -7.253 -12.995 1.00 60.31 H new ATOM 0 HB2 SER A 81 5.529 -8.047 -15.163 1.00 11.14 H new ATOM 0 HB3 SER A 81 6.445 -9.295 -14.342 1.00 11.14 H new ATOM 0 HG SER A 81 4.453 -10.104 -15.224 1.00 72.33 H new ATOM 1254 N PRO A 82 4.306 -8.760 -11.010 1.00 64.11 N ATOM 1255 CA PRO A 82 3.980 -9.772 -9.980 1.00 0.24 C ATOM 1256 C PRO A 82 3.917 -11.171 -10.615 1.00 21.13 C ATOM 1257 O PRO A 82 3.340 -11.303 -11.700 1.00 12.54 O ATOM 1258 CB PRO A 82 2.598 -9.332 -9.474 1.00 40.31 C ATOM 1259 CG PRO A 82 2.494 -7.883 -9.822 1.00 20.35 C ATOM 1260 CD PRO A 82 3.321 -7.670 -11.055 1.00 24.11 C ATOM 0 HA PRO A 82 4.719 -9.834 -9.181 1.00 0.24 H new ATOM 0 HB2 PRO A 82 1.804 -9.908 -9.948 1.00 40.31 H new ATOM 0 HB3 PRO A 82 2.505 -9.486 -8.399 1.00 40.31 H new ATOM 0 HG2 PRO A 82 1.456 -7.602 -10.000 1.00 20.35 H new ATOM 0 HG3 PRO A 82 2.856 -7.262 -9.002 1.00 20.35 H new ATOM 0 HD2 PRO A 82 2.712 -7.718 -11.958 1.00 24.11 H new ATOM 0 HD3 PRO A 82 3.805 -6.693 -11.048 1.00 24.11 H new ATOM 1268 N PRO A 83 4.452 -12.262 -9.997 1.00 61.24 N ATOM 1269 CA PRO A 83 4.708 -12.530 -8.562 1.00 51.00 C ATOM 1270 C PRO A 83 4.354 -11.490 -7.468 1.00 32.25 C ATOM 1271 O PRO A 83 5.052 -10.500 -7.256 1.00 10.32 O ATOM 1272 CB PRO A 83 6.199 -12.832 -8.633 1.00 61.30 C ATOM 1273 CG PRO A 83 6.344 -13.603 -9.929 1.00 35.14 C ATOM 1274 CD PRO A 83 5.061 -13.377 -10.726 1.00 20.54 C ATOM 0 HA PRO A 83 4.027 -13.299 -8.198 1.00 51.00 H new ATOM 0 HB2 PRO A 83 6.793 -11.918 -8.641 1.00 61.30 H new ATOM 0 HB3 PRO A 83 6.530 -13.420 -7.777 1.00 61.30 H new ATOM 0 HG2 PRO A 83 7.213 -13.257 -10.489 1.00 35.14 H new ATOM 0 HG3 PRO A 83 6.494 -14.664 -9.732 1.00 35.14 H new ATOM 0 HD2 PRO A 83 5.265 -13.124 -11.766 1.00 20.54 H new ATOM 0 HD3 PRO A 83 4.422 -14.260 -10.732 1.00 20.54 H new ATOM 1282 N THR A 84 3.236 -11.792 -6.779 1.00 31.14 N ATOM 1283 CA THR A 84 2.821 -11.222 -5.467 1.00 33.43 C ATOM 1284 C THR A 84 2.811 -9.680 -5.341 1.00 70.40 C ATOM 1285 O THR A 84 1.746 -9.086 -5.175 1.00 12.24 O ATOM 1286 CB THR A 84 3.618 -11.840 -4.275 1.00 5.12 C ATOM 1287 OG1 THR A 84 3.093 -11.359 -3.027 1.00 75.34 O ATOM 1288 CG2 THR A 84 5.113 -11.541 -4.341 1.00 61.12 C ATOM 0 H THR A 84 2.561 -12.471 -7.132 1.00 31.14 H new ATOM 0 HA THR A 84 1.772 -11.514 -5.419 1.00 33.43 H new ATOM 0 HB THR A 84 3.497 -12.921 -4.347 1.00 5.12 H new ATOM 0 HG1 THR A 84 3.598 -11.754 -2.286 1.00 75.34 H new ATOM 0 HG21 THR A 84 5.613 -11.996 -3.486 1.00 61.12 H new ATOM 0 HG22 THR A 84 5.526 -11.950 -5.263 1.00 61.12 H new ATOM 0 HG23 THR A 84 5.270 -10.462 -4.321 1.00 61.12 H new ATOM 1296 N ASP A 85 3.972 -9.035 -5.386 1.00 41.41 N ATOM 1297 CA ASP A 85 4.070 -7.597 -5.085 1.00 41.12 C ATOM 1298 C ASP A 85 3.381 -6.732 -6.156 1.00 60.43 C ATOM 1299 O ASP A 85 2.793 -7.252 -7.091 1.00 11.52 O ATOM 1300 CB ASP A 85 5.543 -7.205 -4.937 1.00 74.24 C ATOM 1301 CG ASP A 85 6.237 -8.018 -3.856 1.00 14.31 C ATOM 1302 OD1 ASP A 85 5.816 -7.938 -2.683 1.00 52.32 O ATOM 1303 OD2 ASP A 85 7.200 -8.747 -4.177 1.00 11.33 O ATOM 0 H ASP A 85 4.860 -9.476 -5.626 1.00 41.41 H new ATOM 0 HA ASP A 85 3.547 -7.412 -4.147 1.00 41.12 H new ATOM 0 HB2 ASP A 85 6.056 -7.352 -5.888 1.00 74.24 H new ATOM 0 HB3 ASP A 85 5.615 -6.144 -4.697 1.00 74.24 H new ATOM 1308 N LEU A 86 3.434 -5.413 -6.003 1.00 2.04 N ATOM 1309 CA LEU A 86 2.834 -4.491 -6.985 1.00 50.20 C ATOM 1310 C LEU A 86 3.647 -3.196 -7.107 1.00 23.35 C ATOM 1311 O LEU A 86 4.163 -2.682 -6.118 1.00 42.12 O ATOM 1312 CB LEU A 86 1.375 -4.165 -6.617 1.00 44.20 C ATOM 1313 CG LEU A 86 0.337 -5.232 -7.008 1.00 23.41 C ATOM 1314 CD1 LEU A 86 -1.043 -4.865 -6.475 1.00 42.42 C ATOM 1315 CD2 LEU A 86 0.296 -5.410 -8.525 1.00 40.32 C ATOM 0 H LEU A 86 3.883 -4.950 -5.213 1.00 2.04 H new ATOM 0 HA LEU A 86 2.847 -4.995 -7.951 1.00 50.20 H new ATOM 0 HB2 LEU A 86 1.318 -4.005 -5.540 1.00 44.20 H new ATOM 0 HB3 LEU A 86 1.100 -3.224 -7.094 1.00 44.20 H new ATOM 0 HG LEU A 86 0.635 -6.179 -6.557 1.00 23.41 H new ATOM 0 HD11 LEU A 86 -1.761 -5.633 -6.763 1.00 42.42 H new ATOM 0 HD12 LEU A 86 -1.006 -4.793 -5.388 1.00 42.42 H new ATOM 0 HD13 LEU A 86 -1.351 -3.906 -6.892 1.00 42.42 H new ATOM 0 HD21 LEU A 86 -0.443 -6.168 -8.783 1.00 40.32 H new ATOM 0 HD22 LEU A 86 0.025 -4.465 -8.995 1.00 40.32 H new ATOM 0 HD23 LEU A 86 1.277 -5.724 -8.881 1.00 40.32 H new ATOM 1327 N ILE A 87 3.747 -2.667 -8.324 1.00 43.24 N ATOM 1328 CA ILE A 87 4.564 -1.476 -8.589 1.00 4.51 C ATOM 1329 C ILE A 87 3.701 -0.207 -8.755 1.00 54.44 C ATOM 1330 O ILE A 87 2.889 -0.109 -9.680 1.00 44.32 O ATOM 1331 CB ILE A 87 5.455 -1.658 -9.856 1.00 4.00 C ATOM 1332 CG1 ILE A 87 6.506 -2.773 -9.650 1.00 25.44 C ATOM 1333 CG2 ILE A 87 6.148 -0.344 -10.229 1.00 3.14 C ATOM 1334 CD1 ILE A 87 5.937 -4.178 -9.623 1.00 0.32 C ATOM 0 H ILE A 87 3.273 -3.042 -9.146 1.00 43.24 H new ATOM 0 HA ILE A 87 5.206 -1.351 -7.717 1.00 4.51 H new ATOM 0 HB ILE A 87 4.800 -1.954 -10.676 1.00 4.00 H new ATOM 0 HG12 ILE A 87 7.245 -2.710 -10.448 1.00 25.44 H new ATOM 0 HG13 ILE A 87 7.032 -2.590 -8.713 1.00 25.44 H new ATOM 0 HG21 ILE A 87 6.764 -0.496 -11.116 1.00 3.14 H new ATOM 0 HG22 ILE A 87 5.396 0.418 -10.436 1.00 3.14 H new ATOM 0 HG23 ILE A 87 6.778 -0.017 -9.402 1.00 3.14 H new ATOM 0 HD11 ILE A 87 6.745 -4.895 -9.474 1.00 0.32 H new ATOM 0 HD12 ILE A 87 5.220 -4.265 -8.807 1.00 0.32 H new ATOM 0 HD13 ILE A 87 5.437 -4.386 -10.569 1.00 0.32 H new ATOM 1346 N TRP A 88 3.879 0.757 -7.846 1.00 74.00 N ATOM 1347 CA TRP A 88 3.235 2.069 -7.962 1.00 52.03 C ATOM 1348 C TRP A 88 3.931 2.896 -9.057 1.00 5.41 C ATOM 1349 O TRP A 88 4.788 3.738 -8.782 1.00 72.11 O ATOM 1350 CB TRP A 88 3.285 2.813 -6.615 1.00 2.33 C ATOM 1351 CG TRP A 88 2.351 3.992 -6.517 1.00 74.41 C ATOM 1352 CD1 TRP A 88 1.956 4.829 -7.524 1.00 52.33 C ATOM 1353 CD2 TRP A 88 1.701 4.468 -5.332 1.00 71.01 C ATOM 1354 NE1 TRP A 88 1.096 5.781 -7.039 1.00 32.22 N ATOM 1355 CE2 TRP A 88 0.925 5.583 -5.699 1.00 74.34 C ATOM 1356 CE3 TRP A 88 1.697 4.058 -3.996 1.00 54.32 C ATOM 1357 CZ2 TRP A 88 0.156 6.290 -4.784 1.00 3.24 C ATOM 1358 CZ3 TRP A 88 0.930 4.763 -3.087 1.00 24.33 C ATOM 1359 CH2 TRP A 88 0.169 5.867 -3.486 1.00 53.35 C ATOM 0 H TRP A 88 4.466 0.652 -7.019 1.00 74.00 H new ATOM 0 HA TRP A 88 2.190 1.927 -8.236 1.00 52.03 H new ATOM 0 HB2 TRP A 88 3.047 2.110 -5.817 1.00 2.33 H new ATOM 0 HB3 TRP A 88 4.304 3.158 -6.442 1.00 2.33 H new ATOM 0 HD1 TRP A 88 2.275 4.751 -8.553 1.00 52.33 H new ATOM 0 HE1 TRP A 88 0.656 6.518 -7.590 1.00 32.22 H new ATOM 0 HE3 TRP A 88 2.282 3.207 -3.680 1.00 54.32 H new ATOM 0 HZ2 TRP A 88 -0.431 7.144 -5.088 1.00 3.24 H new ATOM 0 HZ3 TRP A 88 0.918 4.456 -2.052 1.00 24.33 H new ATOM 0 HH2 TRP A 88 -0.421 6.396 -2.752 1.00 53.35 H new ATOM 1370 N LYS A 89 3.538 2.657 -10.300 1.00 53.43 N ATOM 1371 CA LYS A 89 4.203 3.251 -11.467 1.00 61.51 C ATOM 1372 C LYS A 89 3.809 4.735 -11.680 1.00 5.14 C ATOM 1373 O LYS A 89 4.034 5.306 -12.748 1.00 3.44 O ATOM 1374 CB LYS A 89 3.858 2.394 -12.700 1.00 51.50 C ATOM 1375 CG LYS A 89 4.661 2.713 -13.959 1.00 24.34 C ATOM 1376 CD LYS A 89 4.476 1.629 -15.023 1.00 70.41 C ATOM 1377 CE LYS A 89 5.161 1.988 -16.335 1.00 44.02 C ATOM 1378 NZ LYS A 89 4.521 3.155 -16.996 1.00 74.04 N ATOM 0 H LYS A 89 2.753 2.049 -10.535 1.00 53.43 H new ATOM 0 HA LYS A 89 5.280 3.255 -11.301 1.00 61.51 H new ATOM 0 HB2 LYS A 89 4.010 1.345 -12.447 1.00 51.50 H new ATOM 0 HB3 LYS A 89 2.798 2.517 -12.923 1.00 51.50 H new ATOM 0 HG2 LYS A 89 4.347 3.677 -14.360 1.00 24.34 H new ATOM 0 HG3 LYS A 89 5.718 2.802 -13.707 1.00 24.34 H new ATOM 0 HD2 LYS A 89 4.877 0.686 -14.652 1.00 70.41 H new ATOM 0 HD3 LYS A 89 3.412 1.475 -15.201 1.00 70.41 H new ATOM 0 HE2 LYS A 89 6.212 2.209 -16.147 1.00 44.02 H new ATOM 0 HE3 LYS A 89 5.131 1.130 -17.006 1.00 44.02 H new ATOM 0 HZ1 LYS A 89 4.890 3.252 -17.963 1.00 74.04 H new ATOM 0 HZ2 LYS A 89 3.491 3.013 -17.031 1.00 74.04 H new ATOM 0 HZ3 LYS A 89 4.733 4.019 -16.457 1.00 74.04 H new ATOM 1392 N ASN A 90 3.253 5.367 -10.644 1.00 14.14 N ATOM 1393 CA ASN A 90 2.811 6.770 -10.725 1.00 21.05 C ATOM 1394 C ASN A 90 3.398 7.638 -9.590 1.00 34.33 C ATOM 1395 O ASN A 90 2.963 8.773 -9.388 1.00 40.13 O ATOM 1396 CB ASN A 90 1.277 6.841 -10.682 1.00 13.24 C ATOM 1397 CG ASN A 90 0.606 6.091 -11.824 1.00 23.20 C ATOM 1398 OD1 ASN A 90 -0.498 5.580 -11.679 1.00 43.24 O ATOM 1399 ND2 ASN A 90 1.258 6.021 -12.969 1.00 4.23 N ATOM 0 H ASN A 90 3.096 4.932 -9.735 1.00 14.14 H new ATOM 0 HA ASN A 90 3.179 7.168 -11.671 1.00 21.05 H new ATOM 0 HB2 ASN A 90 0.928 6.432 -9.734 1.00 13.24 H new ATOM 0 HB3 ASN A 90 0.968 7.886 -10.712 1.00 13.24 H new ATOM 0 HD21 ASN A 90 0.844 5.532 -13.763 1.00 4.23 H new ATOM 0 HD22 ASN A 90 2.176 6.456 -13.061 1.00 4.23 H new ATOM 1406 N GLN A 91 4.387 7.114 -8.860 1.00 4.42 N ATOM 1407 CA GLN A 91 4.992 7.849 -7.732 1.00 23.24 C ATOM 1408 C GLN A 91 6.478 7.490 -7.556 1.00 64.35 C ATOM 1409 O GLN A 91 6.879 6.351 -7.788 1.00 23.21 O ATOM 1410 CB GLN A 91 4.231 7.541 -6.431 1.00 11.53 C ATOM 1411 CG GLN A 91 4.749 8.297 -5.207 1.00 51.24 C ATOM 1412 CD GLN A 91 4.090 7.860 -3.907 1.00 24.23 C ATOM 1413 OE1 GLN A 91 3.923 8.646 -2.982 1.00 32.24 O ATOM 1414 NE2 GLN A 91 3.726 6.595 -3.819 1.00 13.22 N ATOM 0 H GLN A 91 4.787 6.190 -9.024 1.00 4.42 H new ATOM 0 HA GLN A 91 4.922 8.913 -7.956 1.00 23.24 H new ATOM 0 HB2 GLN A 91 3.178 7.782 -6.574 1.00 11.53 H new ATOM 0 HB3 GLN A 91 4.289 6.470 -6.234 1.00 11.53 H new ATOM 0 HG2 GLN A 91 5.826 8.151 -5.127 1.00 51.24 H new ATOM 0 HG3 GLN A 91 4.582 9.365 -5.350 1.00 51.24 H new ATOM 0 HE21 GLN A 91 3.878 5.965 -4.606 1.00 13.22 H new ATOM 0 HE22 GLN A 91 3.292 6.247 -2.964 1.00 13.22 H new ATOM 1423 N ASN A 92 7.289 8.466 -7.140 1.00 2.43 N ATOM 1424 CA ASN A 92 8.720 8.237 -6.892 1.00 71.22 C ATOM 1425 C ASN A 92 9.019 8.068 -5.383 1.00 2.55 C ATOM 1426 O ASN A 92 8.279 7.389 -4.676 1.00 3.04 O ATOM 1427 CB ASN A 92 9.542 9.379 -7.500 1.00 70.44 C ATOM 1428 CG ASN A 92 9.485 9.376 -9.017 1.00 30.45 C ATOM 1429 OD1 ASN A 92 8.624 10.003 -9.621 1.00 35.13 O ATOM 1430 ND2 ASN A 92 10.394 8.656 -9.649 1.00 12.43 N ATOM 0 H ASN A 92 6.982 9.423 -6.967 1.00 2.43 H new ATOM 0 HA ASN A 92 9.008 7.303 -7.375 1.00 71.22 H new ATOM 0 HB2 ASN A 92 9.170 10.333 -7.125 1.00 70.44 H new ATOM 0 HB3 ASN A 92 10.579 9.292 -7.176 1.00 70.44 H new ATOM 0 HD21 ASN A 92 10.391 8.612 -10.668 1.00 12.43 H new ATOM 0 HD22 ASN A 92 11.099 8.144 -9.118 1.00 12.43 H new ATOM 1437 N SER A 93 10.101 8.690 -4.895 1.00 53.54 N ATOM 1438 CA SER A 93 10.599 8.450 -3.523 1.00 21.53 C ATOM 1439 C SER A 93 9.763 9.138 -2.429 1.00 1.41 C ATOM 1440 O SER A 93 10.062 8.989 -1.248 1.00 72.31 O ATOM 1441 CB SER A 93 12.055 8.924 -3.399 1.00 3.44 C ATOM 1442 OG SER A 93 12.160 10.327 -3.589 1.00 62.51 O ATOM 0 H SER A 93 10.652 9.364 -5.426 1.00 53.54 H new ATOM 0 HA SER A 93 10.519 7.375 -3.364 1.00 21.53 H new ATOM 0 HB2 SER A 93 12.443 8.658 -2.416 1.00 3.44 H new ATOM 0 HB3 SER A 93 12.671 8.408 -4.135 1.00 3.44 H new ATOM 0 HG SER A 93 13.097 10.600 -3.503 1.00 62.51 H new ATOM 1448 N TRP A 94 8.737 9.895 -2.826 1.00 45.24 N ATOM 1449 CA TRP A 94 7.845 10.627 -1.892 1.00 64.34 C ATOM 1450 C TRP A 94 8.593 11.391 -0.767 1.00 70.32 C ATOM 1451 O TRP A 94 8.008 11.713 0.272 1.00 20.43 O ATOM 1452 CB TRP A 94 6.764 9.694 -1.290 1.00 62.02 C ATOM 1453 CG TRP A 94 7.283 8.520 -0.498 1.00 74.21 C ATOM 1454 CD1 TRP A 94 7.852 8.548 0.748 1.00 51.24 C ATOM 1455 CD2 TRP A 94 7.260 7.140 -0.894 1.00 55.13 C ATOM 1456 NE1 TRP A 94 8.187 7.274 1.141 1.00 44.30 N ATOM 1457 CE2 TRP A 94 7.838 6.393 0.150 1.00 44.31 C ATOM 1458 CE3 TRP A 94 6.810 6.466 -2.033 1.00 25.40 C ATOM 1459 CZ2 TRP A 94 7.976 5.010 0.088 1.00 44.14 C ATOM 1460 CZ3 TRP A 94 6.949 5.092 -2.093 1.00 31.04 C ATOM 1461 CH2 TRP A 94 7.528 4.377 -1.039 1.00 43.41 C ATOM 0 H TRP A 94 8.491 10.025 -3.807 1.00 45.24 H new ATOM 0 HA TRP A 94 7.359 11.388 -2.503 1.00 64.34 H new ATOM 0 HB2 TRP A 94 6.117 10.287 -0.644 1.00 62.02 H new ATOM 0 HB3 TRP A 94 6.143 9.315 -2.102 1.00 62.02 H new ATOM 0 HD1 TRP A 94 8.014 9.440 1.335 1.00 51.24 H new ATOM 0 HE1 TRP A 94 8.625 7.024 2.028 1.00 44.30 H new ATOM 0 HE3 TRP A 94 6.362 7.009 -2.852 1.00 25.40 H new ATOM 0 HZ2 TRP A 94 8.421 4.456 0.901 1.00 44.14 H new ATOM 0 HZ3 TRP A 94 6.605 4.561 -2.968 1.00 31.04 H new ATOM 0 HH2 TRP A 94 7.623 3.304 -1.117 1.00 43.41 H new ATOM 1472 N GLY A 95 9.872 11.704 -0.988 1.00 11.03 N ATOM 1473 CA GLY A 95 10.639 12.498 -0.024 1.00 53.13 C ATOM 1474 C GLY A 95 11.868 11.773 0.526 1.00 32.02 C ATOM 1475 O GLY A 95 12.406 10.869 -0.113 1.00 63.32 O ATOM 0 H GLY A 95 10.395 11.423 -1.818 1.00 11.03 H new ATOM 0 HA2 GLY A 95 10.958 13.425 -0.501 1.00 53.13 H new ATOM 0 HA3 GLY A 95 9.989 12.774 0.806 1.00 53.13 H new ATOM 1479 N THR A 96 12.322 12.196 1.710 1.00 62.03 N ATOM 1480 CA THR A 96 13.471 11.563 2.383 1.00 31.04 C ATOM 1481 C THR A 96 13.125 11.154 3.825 1.00 73.34 C ATOM 1482 O THR A 96 13.661 10.182 4.356 1.00 0.33 O ATOM 1483 CB THR A 96 14.704 12.505 2.405 1.00 63.12 C ATOM 1484 OG1 THR A 96 15.783 11.905 3.141 1.00 10.42 O ATOM 1485 CG2 THR A 96 14.352 13.860 3.020 1.00 52.23 C ATOM 0 H THR A 96 11.914 12.975 2.226 1.00 62.03 H new ATOM 0 HA THR A 96 13.714 10.669 1.809 1.00 31.04 H new ATOM 0 HB THR A 96 15.018 12.664 1.373 1.00 63.12 H new ATOM 0 HG1 THR A 96 16.553 12.511 3.144 1.00 10.42 H new ATOM 0 HG21 THR A 96 15.235 14.499 3.022 1.00 52.23 H new ATOM 0 HG22 THR A 96 13.564 14.332 2.433 1.00 52.23 H new ATOM 0 HG23 THR A 96 14.006 13.716 4.043 1.00 52.23 H new ATOM 1493 N GLY A 97 12.235 11.915 4.459 1.00 50.44 N ATOM 1494 CA GLY A 97 11.782 11.592 5.808 1.00 75.43 C ATOM 1495 C GLY A 97 10.596 12.448 6.226 1.00 20.03 C ATOM 1496 O GLY A 97 10.578 13.030 7.315 1.00 13.54 O ATOM 0 H GLY A 97 11.816 12.756 4.061 1.00 50.44 H new ATOM 0 HA2 GLY A 97 11.505 10.539 5.856 1.00 75.43 H new ATOM 0 HA3 GLY A 97 12.602 11.738 6.511 1.00 75.43 H new ATOM 1500 N GLU A 98 9.599 12.533 5.352 1.00 10.53 N ATOM 1501 CA GLU A 98 8.441 13.397 5.578 1.00 74.40 C ATOM 1502 C GLU A 98 7.320 12.643 6.304 1.00 13.31 C ATOM 1503 O GLU A 98 7.298 11.411 6.324 1.00 44.44 O ATOM 1504 CB GLU A 98 7.911 13.934 4.237 1.00 54.11 C ATOM 1505 CG GLU A 98 8.995 14.290 3.220 1.00 52.54 C ATOM 1506 CD GLU A 98 10.103 15.150 3.803 1.00 62.33 C ATOM 1507 OE1 GLU A 98 9.830 16.313 4.165 1.00 1.34 O ATOM 1508 OE2 GLU A 98 11.250 14.666 3.893 1.00 33.43 O ATOM 0 H GLU A 98 9.568 12.012 4.476 1.00 10.53 H new ATOM 0 HA GLU A 98 8.763 14.229 6.205 1.00 74.40 H new ATOM 0 HB2 GLU A 98 7.250 13.187 3.797 1.00 54.11 H new ATOM 0 HB3 GLU A 98 7.307 14.820 4.429 1.00 54.11 H new ATOM 0 HG2 GLU A 98 9.427 13.372 2.823 1.00 52.54 H new ATOM 0 HG3 GLU A 98 8.539 14.816 2.381 1.00 52.54 H new ATOM 1515 N ASP A 99 6.378 13.390 6.873 1.00 24.31 N ATOM 1516 CA ASP A 99 5.188 12.808 7.511 1.00 20.34 C ATOM 1517 C ASP A 99 4.139 12.386 6.458 1.00 42.21 C ATOM 1518 O ASP A 99 2.935 12.607 6.621 1.00 1.42 O ATOM 1519 CB ASP A 99 4.598 13.819 8.504 1.00 51.22 C ATOM 1520 CG ASP A 99 4.433 15.202 7.899 1.00 11.03 C ATOM 1521 OD1 ASP A 99 5.433 15.952 7.839 1.00 32.33 O ATOM 1522 OD2 ASP A 99 3.313 15.549 7.477 1.00 44.14 O ATOM 0 H ASP A 99 6.412 14.409 6.908 1.00 24.31 H new ATOM 0 HA ASP A 99 5.481 11.908 8.051 1.00 20.34 H new ATOM 0 HB2 ASP A 99 3.629 13.460 8.850 1.00 51.22 H new ATOM 0 HB3 ASP A 99 5.245 13.884 9.379 1.00 51.22 H new ATOM 1527 N VAL A 100 4.620 11.747 5.392 1.00 31.11 N ATOM 1528 CA VAL A 100 3.773 11.304 4.280 1.00 3.14 C ATOM 1529 C VAL A 100 2.793 10.199 4.722 1.00 70.20 C ATOM 1530 O VAL A 100 3.167 9.263 5.437 1.00 24.43 O ATOM 1531 CB VAL A 100 4.648 10.815 3.096 1.00 41.41 C ATOM 1532 CG1 VAL A 100 5.591 9.694 3.531 1.00 71.42 C ATOM 1533 CG2 VAL A 100 3.785 10.385 1.914 1.00 64.20 C ATOM 0 H VAL A 100 5.607 11.521 5.273 1.00 31.11 H new ATOM 0 HA VAL A 100 3.181 12.158 3.950 1.00 3.14 H new ATOM 0 HB VAL A 100 5.262 11.654 2.769 1.00 41.41 H new ATOM 0 HG11 VAL A 100 6.191 9.372 2.680 1.00 71.42 H new ATOM 0 HG12 VAL A 100 6.248 10.057 4.321 1.00 71.42 H new ATOM 0 HG13 VAL A 100 5.008 8.852 3.903 1.00 71.42 H new ATOM 0 HG21 VAL A 100 4.426 10.047 1.099 1.00 64.20 H new ATOM 0 HG22 VAL A 100 3.128 9.571 2.220 1.00 64.20 H new ATOM 0 HG23 VAL A 100 3.184 11.229 1.576 1.00 64.20 H new ATOM 1543 N LYS A 101 1.538 10.307 4.291 1.00 63.44 N ATOM 1544 CA LYS A 101 0.473 9.426 4.786 1.00 14.44 C ATOM 1545 C LYS A 101 -0.342 8.796 3.631 1.00 23.53 C ATOM 1546 O LYS A 101 -0.485 9.395 2.561 1.00 41.21 O ATOM 1547 CB LYS A 101 -0.423 10.240 5.731 1.00 64.43 C ATOM 1548 CG LYS A 101 -1.512 9.434 6.419 1.00 70.51 C ATOM 1549 CD LYS A 101 -2.265 10.264 7.459 1.00 33.21 C ATOM 1550 CE LYS A 101 -2.859 11.539 6.862 1.00 62.12 C ATOM 1551 NZ LYS A 101 -3.822 11.254 5.765 1.00 3.13 N ATOM 0 H LYS A 101 1.230 10.993 3.602 1.00 63.44 H new ATOM 0 HA LYS A 101 0.917 8.591 5.327 1.00 14.44 H new ATOM 0 HB2 LYS A 101 0.203 10.706 6.493 1.00 64.43 H new ATOM 0 HB3 LYS A 101 -0.889 11.046 5.164 1.00 64.43 H new ATOM 0 HG2 LYS A 101 -2.215 9.062 5.673 1.00 70.51 H new ATOM 0 HG3 LYS A 101 -1.069 8.563 6.901 1.00 70.51 H new ATOM 0 HD2 LYS A 101 -3.064 9.662 7.893 1.00 33.21 H new ATOM 0 HD3 LYS A 101 -1.587 10.527 8.271 1.00 33.21 H new ATOM 0 HE2 LYS A 101 -3.362 12.104 7.646 1.00 62.12 H new ATOM 0 HE3 LYS A 101 -2.054 12.168 6.482 1.00 62.12 H new ATOM 0 HZ1 LYS A 101 -4.261 12.142 5.449 1.00 3.13 H new ATOM 0 HZ2 LYS A 101 -3.320 10.813 4.968 1.00 3.13 H new ATOM 0 HZ3 LYS A 101 -4.559 10.607 6.110 1.00 3.13 H new ATOM 1565 N VAL A 102 -0.880 7.587 3.857 1.00 24.42 N ATOM 1566 CA VAL A 102 -1.536 6.801 2.794 1.00 60.21 C ATOM 1567 C VAL A 102 -3.025 6.496 3.102 1.00 31.42 C ATOM 1568 O VAL A 102 -3.441 6.469 4.261 1.00 50.15 O ATOM 1569 CB VAL A 102 -0.766 5.473 2.563 1.00 53.21 C ATOM 1570 CG1 VAL A 102 -0.793 4.601 3.820 1.00 51.44 C ATOM 1571 CG2 VAL A 102 -1.308 4.713 1.354 1.00 75.33 C ATOM 0 H VAL A 102 -0.875 7.129 4.769 1.00 24.42 H new ATOM 0 HA VAL A 102 -1.513 7.410 1.891 1.00 60.21 H new ATOM 0 HB VAL A 102 0.272 5.726 2.349 1.00 53.21 H new ATOM 0 HG11 VAL A 102 -0.247 3.676 3.633 1.00 51.44 H new ATOM 0 HG12 VAL A 102 -0.326 5.138 4.645 1.00 51.44 H new ATOM 0 HG13 VAL A 102 -1.826 4.367 4.078 1.00 51.44 H new ATOM 0 HG21 VAL A 102 -0.745 3.789 1.223 1.00 75.33 H new ATOM 0 HG22 VAL A 102 -2.360 4.477 1.514 1.00 75.33 H new ATOM 0 HG23 VAL A 102 -1.206 5.330 0.461 1.00 75.33 H new ATOM 1581 N ILE A 103 -3.809 6.256 2.042 1.00 52.42 N ATOM 1582 CA ILE A 103 -5.258 5.982 2.136 1.00 35.11 C ATOM 1583 C ILE A 103 -5.623 4.666 1.411 1.00 61.12 C ATOM 1584 O ILE A 103 -5.173 4.434 0.289 1.00 74.45 O ATOM 1585 CB ILE A 103 -6.077 7.129 1.476 1.00 2.41 C ATOM 1586 CG1 ILE A 103 -5.861 8.467 2.207 1.00 1.53 C ATOM 1587 CG2 ILE A 103 -7.567 6.777 1.428 1.00 25.52 C ATOM 1588 CD1 ILE A 103 -6.558 8.556 3.547 1.00 1.22 C ATOM 0 H ILE A 103 -3.457 6.245 1.085 1.00 52.42 H new ATOM 0 HA ILE A 103 -5.500 5.903 3.196 1.00 35.11 H new ATOM 0 HB ILE A 103 -5.716 7.244 0.454 1.00 2.41 H new ATOM 0 HG12 ILE A 103 -4.792 8.620 2.354 1.00 1.53 H new ATOM 0 HG13 ILE A 103 -6.215 9.278 1.571 1.00 1.53 H new ATOM 0 HG21 ILE A 103 -8.119 7.594 0.963 1.00 25.52 H new ATOM 0 HG22 ILE A 103 -7.707 5.866 0.846 1.00 25.52 H new ATOM 0 HG23 ILE A 103 -7.937 6.620 2.441 1.00 25.52 H new ATOM 0 HD11 ILE A 103 -6.357 9.528 3.998 1.00 1.22 H new ATOM 0 HD12 ILE A 103 -7.632 8.436 3.407 1.00 1.22 H new ATOM 0 HD13 ILE A 103 -6.188 7.768 4.203 1.00 1.22 H new ATOM 1600 N LEU A 104 -6.444 3.816 2.042 1.00 73.11 N ATOM 1601 CA LEU A 104 -6.947 2.589 1.389 1.00 31.11 C ATOM 1602 C LEU A 104 -8.477 2.631 1.211 1.00 5.44 C ATOM 1603 O LEU A 104 -9.227 2.600 2.191 1.00 51.22 O ATOM 1604 CB LEU A 104 -6.564 1.338 2.199 1.00 55.05 C ATOM 1605 CG LEU A 104 -5.065 1.008 2.256 1.00 43.15 C ATOM 1606 CD1 LEU A 104 -4.841 -0.288 3.030 1.00 31.51 C ATOM 1607 CD2 LEU A 104 -4.477 0.905 0.850 1.00 44.34 C ATOM 0 H LEU A 104 -6.775 3.949 2.997 1.00 73.11 H new ATOM 0 HA LEU A 104 -6.481 2.538 0.405 1.00 31.11 H new ATOM 0 HB2 LEU A 104 -6.927 1.464 3.219 1.00 55.05 H new ATOM 0 HB3 LEU A 104 -7.089 0.481 1.777 1.00 55.05 H new ATOM 0 HG LEU A 104 -4.553 1.818 2.776 1.00 43.15 H new ATOM 0 HD11 LEU A 104 -3.775 -0.512 3.064 1.00 31.51 H new ATOM 0 HD12 LEU A 104 -5.221 -0.176 4.046 1.00 31.51 H new ATOM 0 HD13 LEU A 104 -5.367 -1.104 2.534 1.00 31.51 H new ATOM 0 HD21 LEU A 104 -3.415 0.671 0.916 1.00 44.34 H new ATOM 0 HD22 LEU A 104 -4.989 0.116 0.298 1.00 44.34 H new ATOM 0 HD23 LEU A 104 -4.607 1.854 0.331 1.00 44.34 H new ATOM 1619 N LYS A 105 -8.931 2.701 -0.040 1.00 31.02 N ATOM 1620 CA LYS A 105 -10.368 2.679 -0.356 1.00 43.54 C ATOM 1621 C LYS A 105 -10.710 1.519 -1.302 1.00 65.45 C ATOM 1622 O LYS A 105 -9.851 1.033 -2.038 1.00 23.12 O ATOM 1623 CB LYS A 105 -10.798 4.007 -0.997 1.00 33.15 C ATOM 1624 CG LYS A 105 -10.642 5.217 -0.083 1.00 51.20 C ATOM 1625 CD LYS A 105 -11.152 6.496 -0.741 1.00 51.32 C ATOM 1626 CE LYS A 105 -11.098 7.681 0.215 1.00 53.14 C ATOM 1627 NZ LYS A 105 -11.619 8.922 -0.414 1.00 43.23 N ATOM 0 H LYS A 105 -8.325 2.774 -0.858 1.00 31.02 H new ATOM 0 HA LYS A 105 -10.909 2.537 0.579 1.00 43.54 H new ATOM 0 HB2 LYS A 105 -10.210 4.169 -1.901 1.00 33.15 H new ATOM 0 HB3 LYS A 105 -11.841 3.929 -1.305 1.00 33.15 H new ATOM 0 HG2 LYS A 105 -11.187 5.044 0.845 1.00 51.20 H new ATOM 0 HG3 LYS A 105 -9.592 5.339 0.182 1.00 51.20 H new ATOM 0 HD2 LYS A 105 -10.553 6.714 -1.625 1.00 51.32 H new ATOM 0 HD3 LYS A 105 -12.178 6.347 -1.079 1.00 51.32 H new ATOM 0 HE2 LYS A 105 -11.680 7.454 1.108 1.00 53.14 H new ATOM 0 HE3 LYS A 105 -10.069 7.841 0.537 1.00 53.14 H new ATOM 0 HZ1 LYS A 105 -11.566 9.706 0.268 1.00 43.23 H new ATOM 0 HZ2 LYS A 105 -11.048 9.153 -1.252 1.00 43.23 H new ATOM 0 HZ3 LYS A 105 -12.609 8.778 -0.699 1.00 43.23 H new ATOM 1641 N ASN A 106 -11.967 1.076 -1.282 1.00 12.30 N ATOM 1642 CA ASN A 106 -12.419 0.008 -2.185 1.00 50.05 C ATOM 1643 C ASN A 106 -13.001 0.575 -3.487 1.00 64.52 C ATOM 1644 O ASN A 106 -13.108 1.790 -3.663 1.00 61.00 O ATOM 1645 CB ASN A 106 -13.477 -0.869 -1.509 1.00 60.15 C ATOM 1646 CG ASN A 106 -12.989 -1.481 -0.215 1.00 75.13 C ATOM 1647 OD1 ASN A 106 -13.227 -0.952 0.859 1.00 71.33 O ATOM 1648 ND2 ASN A 106 -12.290 -2.594 -0.307 1.00 12.23 N ATOM 0 H ASN A 106 -12.689 1.435 -0.657 1.00 12.30 H new ATOM 0 HA ASN A 106 -11.542 -0.594 -2.424 1.00 50.05 H new ATOM 0 HB2 ASN A 106 -14.366 -0.270 -1.310 1.00 60.15 H new ATOM 0 HB3 ASN A 106 -13.774 -1.664 -2.193 1.00 60.15 H new ATOM 0 HD21 ASN A 106 -11.929 -3.041 0.536 1.00 12.23 H new ATOM 0 HD22 ASN A 106 -12.110 -3.009 -1.221 1.00 12.23 H new ATOM 1655 N SER A 107 -13.400 -0.321 -4.388 1.00 11.44 N ATOM 1656 CA SER A 107 -14.040 0.062 -5.658 1.00 63.11 C ATOM 1657 C SER A 107 -15.314 0.894 -5.434 1.00 2.03 C ATOM 1658 O SER A 107 -15.769 1.606 -6.329 1.00 70.23 O ATOM 1659 CB SER A 107 -14.387 -1.192 -6.473 1.00 42.24 C ATOM 1660 OG SER A 107 -15.237 -2.060 -5.733 1.00 42.14 O ATOM 0 H SER A 107 -13.293 -1.328 -4.266 1.00 11.44 H new ATOM 0 HA SER A 107 -13.327 0.678 -6.206 1.00 63.11 H new ATOM 0 HB2 SER A 107 -14.877 -0.902 -7.403 1.00 42.24 H new ATOM 0 HB3 SER A 107 -13.472 -1.718 -6.746 1.00 42.24 H new ATOM 0 HG SER A 107 -15.446 -2.851 -6.272 1.00 42.14 H new ATOM 1666 N GLN A 108 -15.892 0.792 -4.237 1.00 52.31 N ATOM 1667 CA GLN A 108 -17.106 1.545 -3.888 1.00 2.21 C ATOM 1668 C GLN A 108 -16.788 2.976 -3.407 1.00 55.21 C ATOM 1669 O GLN A 108 -17.695 3.766 -3.139 1.00 42.52 O ATOM 1670 CB GLN A 108 -17.896 0.795 -2.807 1.00 22.01 C ATOM 1671 CG GLN A 108 -18.326 -0.612 -3.221 1.00 54.15 C ATOM 1672 CD GLN A 108 -19.178 -1.302 -2.169 1.00 23.21 C ATOM 1673 OE1 GLN A 108 -19.906 -0.660 -1.423 1.00 44.20 O ATOM 1674 NE2 GLN A 108 -19.097 -2.614 -2.103 1.00 12.21 N ATOM 0 H GLN A 108 -15.541 0.195 -3.488 1.00 52.31 H new ATOM 0 HA GLN A 108 -17.707 1.630 -4.793 1.00 2.21 H new ATOM 0 HB2 GLN A 108 -17.287 0.728 -1.906 1.00 22.01 H new ATOM 0 HB3 GLN A 108 -18.783 1.375 -2.550 1.00 22.01 H new ATOM 0 HG2 GLN A 108 -18.885 -0.556 -4.155 1.00 54.15 H new ATOM 0 HG3 GLN A 108 -17.439 -1.215 -3.416 1.00 54.15 H new ATOM 0 HE21 GLN A 108 -18.481 -3.120 -2.739 1.00 12.21 H new ATOM 0 HE22 GLN A 108 -19.651 -3.125 -1.416 1.00 12.21 H new ATOM 1683 N GLY A 109 -15.501 3.300 -3.281 1.00 4.13 N ATOM 1684 CA GLY A 109 -15.091 4.652 -2.893 1.00 42.25 C ATOM 1685 C GLY A 109 -14.934 4.844 -1.385 1.00 63.32 C ATOM 1686 O GLY A 109 -14.274 5.783 -0.940 1.00 43.04 O ATOM 0 H GLY A 109 -14.730 2.652 -3.440 1.00 4.13 H new ATOM 0 HA2 GLY A 109 -14.144 4.887 -3.380 1.00 42.25 H new ATOM 0 HA3 GLY A 109 -15.827 5.365 -3.265 1.00 42.25 H new ATOM 1690 N GLU A 110 -15.541 3.963 -0.594 1.00 21.33 N ATOM 1691 CA GLU A 110 -15.451 4.046 0.870 1.00 73.34 C ATOM 1692 C GLU A 110 -14.079 3.580 1.384 1.00 1.22 C ATOM 1693 O GLU A 110 -13.409 2.755 0.756 1.00 53.42 O ATOM 1694 CB GLU A 110 -16.584 3.238 1.522 1.00 23.32 C ATOM 1695 CG GLU A 110 -16.707 1.806 1.016 1.00 62.11 C ATOM 1696 CD GLU A 110 -17.948 1.109 1.552 1.00 12.33 C ATOM 1697 OE1 GLU A 110 -19.068 1.512 1.168 1.00 13.13 O ATOM 1698 OE2 GLU A 110 -17.815 0.176 2.372 1.00 42.32 O ATOM 0 H GLU A 110 -16.101 3.183 -0.937 1.00 21.33 H new ATOM 0 HA GLU A 110 -15.562 5.093 1.151 1.00 73.34 H new ATOM 0 HB2 GLU A 110 -16.425 3.217 2.600 1.00 23.32 H new ATOM 0 HB3 GLU A 110 -17.528 3.754 1.349 1.00 23.32 H new ATOM 0 HG2 GLU A 110 -16.737 1.809 -0.074 1.00 62.11 H new ATOM 0 HG3 GLU A 110 -15.821 1.242 1.309 1.00 62.11 H new ATOM 1705 N GLU A 111 -13.675 4.109 2.537 1.00 34.02 N ATOM 1706 CA GLU A 111 -12.318 3.909 3.063 1.00 41.21 C ATOM 1707 C GLU A 111 -12.266 2.812 4.139 1.00 62.31 C ATOM 1708 O GLU A 111 -13.029 2.839 5.107 1.00 53.12 O ATOM 1709 CB GLU A 111 -11.808 5.233 3.648 1.00 12.33 C ATOM 1710 CG GLU A 111 -10.393 5.173 4.216 1.00 52.45 C ATOM 1711 CD GLU A 111 -9.978 6.485 4.862 1.00 3.15 C ATOM 1712 OE1 GLU A 111 -9.559 7.407 4.133 1.00 10.33 O ATOM 1713 OE2 GLU A 111 -10.098 6.607 6.097 1.00 21.23 O ATOM 0 H GLU A 111 -14.271 4.685 3.132 1.00 34.02 H new ATOM 0 HA GLU A 111 -11.683 3.584 2.239 1.00 41.21 H new ATOM 0 HB2 GLU A 111 -11.841 5.996 2.870 1.00 12.33 H new ATOM 0 HB3 GLU A 111 -12.489 5.553 4.437 1.00 12.33 H new ATOM 0 HG2 GLU A 111 -10.333 4.372 4.953 1.00 52.45 H new ATOM 0 HG3 GLU A 111 -9.693 4.925 3.418 1.00 52.45 H new ATOM 1720 N VAL A 112 -11.350 1.861 3.976 1.00 52.30 N ATOM 1721 CA VAL A 112 -11.149 0.802 4.973 1.00 22.35 C ATOM 1722 C VAL A 112 -10.203 1.260 6.090 1.00 74.20 C ATOM 1723 O VAL A 112 -10.547 1.206 7.272 1.00 55.33 O ATOM 1724 CB VAL A 112 -10.580 -0.487 4.329 1.00 34.43 C ATOM 1725 CG1 VAL A 112 -10.322 -1.564 5.384 1.00 33.41 C ATOM 1726 CG2 VAL A 112 -11.524 -1.007 3.251 1.00 11.31 C ATOM 0 H VAL A 112 -10.734 1.798 3.166 1.00 52.30 H new ATOM 0 HA VAL A 112 -12.129 0.585 5.397 1.00 22.35 H new ATOM 0 HB VAL A 112 -9.626 -0.238 3.864 1.00 34.43 H new ATOM 0 HG11 VAL A 112 -9.923 -2.457 4.903 1.00 33.41 H new ATOM 0 HG12 VAL A 112 -9.603 -1.193 6.114 1.00 33.41 H new ATOM 0 HG13 VAL A 112 -11.256 -1.811 5.888 1.00 33.41 H new ATOM 0 HG21 VAL A 112 -11.108 -1.913 2.809 1.00 11.31 H new ATOM 0 HG22 VAL A 112 -12.494 -1.232 3.694 1.00 11.31 H new ATOM 0 HG23 VAL A 112 -11.645 -0.249 2.477 1.00 11.31 H new ATOM 1736 N ALA A 113 -9.011 1.718 5.710 1.00 51.31 N ATOM 1737 CA ALA A 113 -7.995 2.115 6.688 1.00 10.25 C ATOM 1738 C ALA A 113 -6.990 3.122 6.114 1.00 74.45 C ATOM 1739 O ALA A 113 -6.927 3.348 4.902 1.00 24.21 O ATOM 1740 CB ALA A 113 -7.261 0.881 7.210 1.00 70.11 C ATOM 0 H ALA A 113 -8.724 1.824 4.737 1.00 51.31 H new ATOM 0 HA ALA A 113 -8.513 2.610 7.509 1.00 10.25 H new ATOM 0 HB1 ALA A 113 -6.508 1.186 7.936 1.00 70.11 H new ATOM 0 HB2 ALA A 113 -7.974 0.208 7.687 1.00 70.11 H new ATOM 0 HB3 ALA A 113 -6.777 0.367 6.379 1.00 70.11 H new ATOM 1746 N GLN A 114 -6.207 3.721 7.006 1.00 43.35 N ATOM 1747 CA GLN A 114 -5.171 4.686 6.631 1.00 2.43 C ATOM 1748 C GLN A 114 -4.074 4.760 7.708 1.00 55.13 C ATOM 1749 O GLN A 114 -4.327 4.472 8.879 1.00 13.54 O ATOM 1750 CB GLN A 114 -5.792 6.072 6.399 1.00 44.23 C ATOM 1751 CG GLN A 114 -6.692 6.558 7.532 1.00 51.32 C ATOM 1752 CD GLN A 114 -7.174 7.985 7.320 1.00 15.14 C ATOM 1753 OE1 GLN A 114 -6.472 8.813 6.749 1.00 12.04 O ATOM 1754 NE2 GLN A 114 -8.379 8.279 7.759 1.00 25.03 N ATOM 0 H GLN A 114 -6.270 3.553 8.010 1.00 43.35 H new ATOM 0 HA GLN A 114 -4.711 4.350 5.702 1.00 2.43 H new ATOM 0 HB2 GLN A 114 -4.990 6.796 6.252 1.00 44.23 H new ATOM 0 HB3 GLN A 114 -6.372 6.047 5.476 1.00 44.23 H new ATOM 0 HG2 GLN A 114 -7.553 5.896 7.617 1.00 51.32 H new ATOM 0 HG3 GLN A 114 -6.149 6.497 8.475 1.00 51.32 H new ATOM 0 HE21 GLN A 114 -8.938 7.568 8.230 1.00 25.03 H new ATOM 0 HE22 GLN A 114 -8.754 9.218 7.628 1.00 25.03 H new ATOM 1763 N ARG A 115 -2.859 5.142 7.308 1.00 43.02 N ATOM 1764 CA ARG A 115 -1.722 5.206 8.243 1.00 55.20 C ATOM 1765 C ARG A 115 -0.596 6.108 7.702 1.00 13.10 C ATOM 1766 O ARG A 115 -0.446 6.270 6.488 1.00 21.32 O ATOM 1767 CB ARG A 115 -1.188 3.786 8.512 1.00 23.22 C ATOM 1768 CG ARG A 115 -0.240 3.690 9.705 1.00 33.12 C ATOM 1769 CD ARG A 115 0.116 2.242 10.040 1.00 31.22 C ATOM 1770 NE ARG A 115 0.763 2.127 11.347 1.00 63.11 N ATOM 1771 CZ ARG A 115 0.942 1.001 11.988 1.00 73.11 C ATOM 1772 NH1 ARG A 115 0.600 -0.130 11.456 1.00 33.20 N ATOM 1773 NH2 ARG A 115 1.475 1.017 13.164 1.00 22.13 N ATOM 0 H ARG A 115 -2.633 5.411 6.350 1.00 43.02 H new ATOM 0 HA ARG A 115 -2.074 5.643 9.177 1.00 55.20 H new ATOM 0 HB2 ARG A 115 -2.033 3.118 8.679 1.00 23.22 H new ATOM 0 HB3 ARG A 115 -0.671 3.430 7.621 1.00 23.22 H new ATOM 0 HG2 ARG A 115 0.672 4.247 9.489 1.00 33.12 H new ATOM 0 HG3 ARG A 115 -0.702 4.160 10.573 1.00 33.12 H new ATOM 0 HD2 ARG A 115 -0.788 1.634 10.028 1.00 31.22 H new ATOM 0 HD3 ARG A 115 0.778 1.844 9.271 1.00 31.22 H new ATOM 0 HE ARG A 115 1.097 2.983 11.789 1.00 63.11 H new ATOM 0 HH11 ARG A 115 0.185 -0.151 10.525 1.00 33.20 H new ATOM 0 HH12 ARG A 115 0.746 -1.000 11.969 1.00 33.20 H new ATOM 0 HH21 ARG A 115 1.753 1.903 13.586 1.00 22.13 H new ATOM 0 HH22 ARG A 115 1.618 0.144 13.671 1.00 22.13 H new ATOM 1787 N SER A 116 0.189 6.701 8.605 1.00 65.44 N ATOM 1788 CA SER A 116 1.295 7.594 8.215 1.00 54.14 C ATOM 1789 C SER A 116 2.660 7.020 8.608 1.00 70.53 C ATOM 1790 O SER A 116 2.751 5.938 9.190 1.00 74.13 O ATOM 1791 CB SER A 116 1.128 8.971 8.869 1.00 12.43 C ATOM 1792 OG SER A 116 1.179 8.881 10.285 1.00 0.11 O ATOM 0 H SER A 116 0.083 6.582 9.612 1.00 65.44 H new ATOM 0 HA SER A 116 1.259 7.689 7.130 1.00 54.14 H new ATOM 0 HB2 SER A 116 1.913 9.640 8.517 1.00 12.43 H new ATOM 0 HB3 SER A 116 0.177 9.407 8.565 1.00 12.43 H new ATOM 0 HG SER A 116 1.071 9.774 10.674 1.00 0.11 H new ATOM 1798 N THR A 117 3.723 7.750 8.274 1.00 52.42 N ATOM 1799 CA THR A 117 5.080 7.379 8.691 1.00 3.21 C ATOM 1800 C THR A 117 5.332 7.750 10.159 1.00 61.23 C ATOM 1801 O THR A 117 4.762 8.712 10.681 1.00 33.04 O ATOM 1802 CB THR A 117 6.153 8.062 7.806 1.00 75.33 C ATOM 1803 OG1 THR A 117 5.962 9.487 7.805 1.00 10.24 O ATOM 1804 CG2 THR A 117 6.101 7.537 6.374 1.00 35.12 C ATOM 0 H THR A 117 3.674 8.602 7.716 1.00 52.42 H new ATOM 0 HA THR A 117 5.159 6.298 8.574 1.00 3.21 H new ATOM 0 HB THR A 117 7.131 7.827 8.225 1.00 75.33 H new ATOM 0 HG1 THR A 117 6.577 9.899 7.163 1.00 10.24 H new ATOM 0 HG21 THR A 117 6.865 8.034 5.776 1.00 35.12 H new ATOM 0 HG22 THR A 117 6.282 6.462 6.374 1.00 35.12 H new ATOM 0 HG23 THR A 117 5.118 7.739 5.948 1.00 35.12 H new ATOM 1812 N VAL A 118 6.185 6.975 10.824 1.00 25.12 N ATOM 1813 CA VAL A 118 6.498 7.194 12.241 1.00 70.22 C ATOM 1814 C VAL A 118 7.860 7.891 12.410 1.00 14.23 C ATOM 1815 O VAL A 118 8.800 7.628 11.658 1.00 10.35 O ATOM 1816 CB VAL A 118 6.510 5.847 13.014 1.00 11.12 C ATOM 1817 CG1 VAL A 118 6.779 6.063 14.503 1.00 11.22 C ATOM 1818 CG2 VAL A 118 5.198 5.089 12.802 1.00 53.44 C ATOM 0 H VAL A 118 6.676 6.185 10.405 1.00 25.12 H new ATOM 0 HA VAL A 118 5.721 7.839 12.651 1.00 70.22 H new ATOM 0 HB VAL A 118 7.324 5.241 12.615 1.00 11.12 H new ATOM 0 HG11 VAL A 118 6.781 5.101 15.016 1.00 11.22 H new ATOM 0 HG12 VAL A 118 7.748 6.545 14.631 1.00 11.22 H new ATOM 0 HG13 VAL A 118 6.000 6.698 14.925 1.00 11.22 H new ATOM 0 HG21 VAL A 118 5.228 4.149 13.352 1.00 53.44 H new ATOM 0 HG22 VAL A 118 4.366 5.694 13.162 1.00 53.44 H new ATOM 0 HG23 VAL A 118 5.064 4.884 11.740 1.00 53.44 H new ATOM 1828 N PHE A 119 7.960 8.782 13.398 1.00 11.22 N ATOM 1829 CA PHE A 119 9.224 9.461 13.710 1.00 32.11 C ATOM 1830 C PHE A 119 10.301 8.448 14.135 1.00 1.13 C ATOM 1831 O PHE A 119 10.306 7.970 15.270 1.00 53.31 O ATOM 1832 CB PHE A 119 9.001 10.503 14.821 1.00 44.45 C ATOM 1833 CG PHE A 119 10.251 11.248 15.235 1.00 20.23 C ATOM 1834 CD1 PHE A 119 10.751 12.281 14.453 1.00 32.14 C ATOM 1835 CD2 PHE A 119 10.921 10.917 16.407 1.00 32.14 C ATOM 1836 CE1 PHE A 119 11.893 12.965 14.831 1.00 10.43 C ATOM 1837 CE2 PHE A 119 12.062 11.598 16.787 1.00 50.04 C ATOM 1838 CZ PHE A 119 12.548 12.622 15.999 1.00 40.13 C ATOM 0 H PHE A 119 7.181 9.052 13.998 1.00 11.22 H new ATOM 0 HA PHE A 119 9.574 9.969 12.811 1.00 32.11 H new ATOM 0 HB2 PHE A 119 8.257 11.224 14.483 1.00 44.45 H new ATOM 0 HB3 PHE A 119 8.584 10.002 15.695 1.00 44.45 H new ATOM 0 HD1 PHE A 119 10.243 12.554 13.540 1.00 32.14 H new ATOM 0 HD2 PHE A 119 10.545 10.118 17.028 1.00 32.14 H new ATOM 0 HE1 PHE A 119 12.272 13.766 14.214 1.00 10.43 H new ATOM 0 HE2 PHE A 119 12.573 11.329 17.700 1.00 50.04 H new ATOM 0 HZ PHE A 119 13.440 13.155 16.295 1.00 40.13 H new ATOM 1848 N LYS A 120 11.195 8.101 13.209 1.00 52.32 N ATOM 1849 CA LYS A 120 12.243 7.107 13.473 1.00 15.24 C ATOM 1850 C LYS A 120 13.650 7.726 13.431 1.00 43.43 C ATOM 1851 O LYS A 120 13.926 8.644 12.653 1.00 42.45 O ATOM 1852 CB LYS A 120 12.156 5.954 12.455 1.00 40.22 C ATOM 1853 CG LYS A 120 10.839 5.164 12.470 1.00 13.03 C ATOM 1854 CD LYS A 120 10.741 4.164 13.632 1.00 52.24 C ATOM 1855 CE LYS A 120 10.461 4.835 14.974 1.00 24.33 C ATOM 1856 NZ LYS A 120 10.285 3.846 16.068 1.00 71.40 N ATOM 0 H LYS A 120 11.217 8.492 12.267 1.00 52.32 H new ATOM 0 HA LYS A 120 12.075 6.723 14.479 1.00 15.24 H new ATOM 0 HB2 LYS A 120 12.305 6.362 11.455 1.00 40.22 H new ATOM 0 HB3 LYS A 120 12.978 5.263 12.643 1.00 40.22 H new ATOM 0 HG2 LYS A 120 10.005 5.863 12.531 1.00 13.03 H new ATOM 0 HG3 LYS A 120 10.736 4.626 11.528 1.00 13.03 H new ATOM 0 HD2 LYS A 120 9.950 3.445 13.420 1.00 52.24 H new ATOM 0 HD3 LYS A 120 11.673 3.602 13.700 1.00 52.24 H new ATOM 0 HE2 LYS A 120 11.283 5.506 15.222 1.00 24.33 H new ATOM 0 HE3 LYS A 120 9.563 5.448 14.892 1.00 24.33 H new ATOM 0 HZ1 LYS A 120 10.097 4.345 16.961 1.00 71.40 H new ATOM 0 HZ2 LYS A 120 9.484 3.221 15.846 1.00 71.40 H new ATOM 0 HZ3 LYS A 120 11.151 3.278 16.165 1.00 71.40 H new ATOM 1870 N THR A 121 14.530 7.209 14.285 1.00 31.23 N ATOM 1871 CA THR A 121 15.947 7.607 14.317 1.00 11.24 C ATOM 1872 C THR A 121 16.838 6.377 14.553 1.00 24.05 C ATOM 1873 O THR A 121 17.911 6.463 15.156 1.00 22.35 O ATOM 1874 CB THR A 121 16.207 8.674 15.419 1.00 41.51 C ATOM 1875 OG1 THR A 121 17.596 9.054 15.448 1.00 11.12 O ATOM 1876 CG2 THR A 121 15.785 8.168 16.798 1.00 65.14 C ATOM 0 H THR A 121 14.287 6.501 14.978 1.00 31.23 H new ATOM 0 HA THR A 121 16.195 8.049 13.352 1.00 11.24 H new ATOM 0 HB THR A 121 15.603 9.547 15.171 1.00 41.51 H new ATOM 0 HG1 THR A 121 18.156 8.250 15.419 1.00 11.12 H new ATOM 0 HG21 THR A 121 15.981 8.938 17.544 1.00 65.14 H new ATOM 0 HG22 THR A 121 14.721 7.933 16.789 1.00 65.14 H new ATOM 0 HG23 THR A 121 16.352 7.271 17.046 1.00 65.14 H new ATOM 1884 N THR A 122 16.385 5.229 14.051 1.00 14.21 N ATOM 1885 CA THR A 122 17.094 3.949 14.229 1.00 52.21 C ATOM 1886 C THR A 122 18.299 3.808 13.275 1.00 71.35 C ATOM 1887 O THR A 122 18.132 3.279 12.150 1.00 37.48 O ATOM 1888 CB THR A 122 16.128 2.756 14.020 1.00 3.43 C ATOM 1889 OG1 THR A 122 15.501 2.856 12.734 1.00 71.44 O ATOM 1890 CG2 THR A 122 15.057 2.719 15.106 1.00 21.30 C ATOM 1891 OXT THR A 122 19.414 4.222 13.663 1.00 37.48 O ATOM 0 H THR A 122 15.522 5.153 13.512 1.00 14.21 H new ATOM 0 HA THR A 122 17.473 3.941 15.251 1.00 52.21 H new ATOM 0 HB THR A 122 16.710 1.836 14.076 1.00 3.43 H new ATOM 0 HG1 THR A 122 16.187 2.962 12.043 1.00 71.44 H new ATOM 0 HG21 THR A 122 14.393 1.872 14.934 1.00 21.30 H new ATOM 0 HG22 THR A 122 15.532 2.616 16.082 1.00 21.30 H new ATOM 0 HG23 THR A 122 14.480 3.643 15.079 1.00 21.30 H new TER 1899 THR A 122