USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 928 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 52 LYS NZ :NH3+ -171:sc=-0.000149 (180deg=-0.0956) USER MOD Set 1.2: A 97 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.7) USER MOD Set 2.1: A 30 SER OG : rot 66:sc= 1.8 USER MOD Set 2.2: A 61 TYR OH : rot -148:sc= 0.718 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= 0.883 (180deg=0.553) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.166 K(o=-0.17,f=-0.77) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -168:sc= -0.0161 (180deg=-0.223) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0154 K(o=-0.015,f=-0.61) USER MOD Single : A 21 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0595) USER MOD Single : A 22 LYS NZ :NH3+ -147:sc= -0.0133 (180deg=-0.566) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN :FLIP amide:sc= -0.353 F(o=-1.2,f=-0.35) USER MOD Single : A 32 LYS NZ :NH3+ -159:sc= -0.123 (180deg=-0.511) USER MOD Single : A 38 THR OG1 : rot -69:sc= 0.00164 USER MOD Single : A 43 SER OG : rot 89:sc= 0.236 USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= -0.0117 (180deg=-0.146) USER MOD Single : A 49 TYR OH : rot 94:sc= 0.487 USER MOD Single : A 51 LYS NZ :NH3+ -101:sc= 1.31 (180deg=0.0244) USER MOD Single : A 53 MET CE :methyl -129:sc= -0.0671 (180deg=-2.33!) USER MOD Single : A 54 ASN : amide:sc= 0.163 K(o=0.16,f=-2.1!) USER MOD Single : A 63 SER OG : rot 75:sc= 0.173 USER MOD Single : A 66 ASN : amide:sc= 0.143 X(o=0.14,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 96:sc= 0.216 USER MOD Single : A 77 THR OG1 : rot -10:sc= 0.118 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.00218 K(o=0.0022,f=-0.75) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -104:sc= -0.141 USER MOD Single : A 88 LYS NZ :NH3+ -104:sc= -0.444 (180deg=-2.44!) USER MOD Single : A 91 ASN : amide:sc= -0.0138 K(o=-0.014,f=-1.6) USER MOD Single : A 92 SER OG : rot 68:sc= 0.635 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.393 X(o=-0.39,f=-0.42) USER MOD Single : A 102 SER OG : rot -166:sc= 0.736 USER MOD Single : A 104 ASN : amide:sc= -0.736 X(o=-0.74,f=-0.49) USER MOD Single : A 105 LYS NZ :NH3+ -150:sc= 0.362 (180deg=-1.09) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.748 7.450 28.956 1.00 71.23 N ATOM 2 CA MET A 1 -7.446 7.006 30.346 1.00 31.20 C ATOM 3 C MET A 1 -6.577 5.720 30.362 1.00 51.30 C ATOM 4 O MET A 1 -6.423 5.076 31.407 1.00 44.21 O ATOM 5 CB MET A 1 -8.768 6.816 31.147 1.00 3.50 C ATOM 6 CG MET A 1 -9.532 8.122 31.428 1.00 35.00 C ATOM 7 SD MET A 1 -9.993 9.005 29.916 1.00 13.42 S ATOM 8 CE MET A 1 -10.740 10.508 30.561 1.00 11.32 C ATOM 0 H1 MET A 1 -8.587 8.064 28.962 1.00 71.23 H new ATOM 0 H2 MET A 1 -6.936 7.977 28.576 1.00 71.23 H new ATOM 0 H3 MET A 1 -7.932 6.619 28.358 1.00 71.23 H new ATOM 0 HA MET A 1 -6.859 7.785 30.833 1.00 31.20 H new ATOM 0 HB2 MET A 1 -9.420 6.139 30.594 1.00 3.50 H new ATOM 0 HB3 MET A 1 -8.538 6.332 32.096 1.00 3.50 H new ATOM 0 HG2 MET A 1 -10.432 7.895 31.999 1.00 35.00 H new ATOM 0 HG3 MET A 1 -8.915 8.772 32.049 1.00 35.00 H new ATOM 0 HE1 MET A 1 -11.066 11.137 29.732 1.00 11.32 H new ATOM 0 HE2 MET A 1 -11.599 10.250 31.180 1.00 11.32 H new ATOM 0 HE3 MET A 1 -10.009 11.049 31.162 1.00 11.32 H new ATOM 20 N GLY A 2 -5.991 5.361 29.195 1.00 60.54 N ATOM 21 CA GLY A 2 -5.029 4.242 29.108 1.00 3.43 C ATOM 22 C GLY A 2 -5.462 3.101 28.180 1.00 64.13 C ATOM 23 O GLY A 2 -6.406 3.239 27.394 1.00 24.10 O ATOM 0 H GLY A 2 -6.168 5.829 28.306 1.00 60.54 H new ATOM 0 HA2 GLY A 2 -4.070 4.630 28.763 1.00 3.43 H new ATOM 0 HA3 GLY A 2 -4.869 3.839 30.108 1.00 3.43 H new ATOM 27 N HIS A 3 -4.737 1.970 28.273 1.00 42.14 N ATOM 28 CA HIS A 3 -4.963 0.765 27.438 1.00 63.51 C ATOM 29 C HIS A 3 -5.308 -0.473 28.309 1.00 41.44 C ATOM 30 O HIS A 3 -5.072 -0.477 29.525 1.00 10.22 O ATOM 31 CB HIS A 3 -3.710 0.498 26.560 1.00 41.40 C ATOM 32 CG HIS A 3 -2.407 0.358 27.324 1.00 44.53 C ATOM 33 ND1 HIS A 3 -1.518 1.403 27.493 1.00 2.44 N ATOM 34 CD2 HIS A 3 -1.838 -0.709 27.947 1.00 70.11 C ATOM 35 CE1 HIS A 3 -0.470 0.986 28.177 1.00 12.34 C ATOM 36 NE2 HIS A 3 -0.639 -0.285 28.465 1.00 71.35 N ATOM 0 H HIS A 3 -3.969 1.862 28.935 1.00 42.14 H new ATOM 0 HA HIS A 3 -5.819 0.947 26.789 1.00 63.51 H new ATOM 0 HB2 HIS A 3 -3.876 -0.413 25.985 1.00 41.40 H new ATOM 0 HB3 HIS A 3 -3.607 1.313 25.843 1.00 41.40 H new ATOM 0 HD2 HIS A 3 -2.252 -1.704 28.021 1.00 70.11 H new ATOM 0 HE1 HIS A 3 0.383 1.588 28.454 1.00 12.34 H new ATOM 0 HE2 HIS A 3 0.016 -0.864 28.990 1.00 71.35 H new ATOM 45 N HIS A 4 -5.846 -1.530 27.664 1.00 73.34 N ATOM 46 CA HIS A 4 -6.237 -2.788 28.346 1.00 45.13 C ATOM 47 C HIS A 4 -6.186 -3.996 27.377 1.00 74.32 C ATOM 48 O HIS A 4 -6.216 -3.826 26.154 1.00 22.13 O ATOM 49 CB HIS A 4 -7.648 -2.651 28.979 1.00 40.15 C ATOM 50 CG HIS A 4 -8.736 -2.278 28.005 1.00 11.12 C ATOM 51 ND1 HIS A 4 -9.529 -3.207 27.365 1.00 34.23 N ATOM 52 CD2 HIS A 4 -9.152 -1.068 27.559 1.00 54.11 C ATOM 53 CE1 HIS A 4 -10.376 -2.588 26.570 1.00 15.04 C ATOM 54 NE2 HIS A 4 -10.169 -1.295 26.671 1.00 4.04 N ATOM 0 H HIS A 4 -6.022 -1.538 26.659 1.00 73.34 H new ATOM 0 HA HIS A 4 -5.517 -2.972 29.143 1.00 45.13 H new ATOM 0 HB2 HIS A 4 -7.912 -3.595 29.455 1.00 40.15 H new ATOM 0 HB3 HIS A 4 -7.608 -1.898 29.766 1.00 40.15 H new ATOM 0 HD2 HIS A 4 -8.756 -0.106 27.849 1.00 54.11 H new ATOM 0 HE1 HIS A 4 -11.115 -3.063 25.942 1.00 15.04 H new ATOM 0 HE2 HIS A 4 -10.685 -0.574 26.167 1.00 4.04 H new ATOM 63 N HIS A 5 -6.117 -5.209 27.950 1.00 74.30 N ATOM 64 CA HIS A 5 -6.027 -6.480 27.189 1.00 43.22 C ATOM 65 C HIS A 5 -7.343 -6.808 26.429 1.00 5.32 C ATOM 66 O HIS A 5 -8.341 -7.206 27.042 1.00 51.04 O ATOM 67 CB HIS A 5 -5.654 -7.647 28.143 1.00 32.12 C ATOM 68 CG HIS A 5 -4.289 -7.530 28.777 1.00 63.31 C ATOM 69 ND1 HIS A 5 -4.094 -7.239 30.111 1.00 63.33 N ATOM 70 CD2 HIS A 5 -3.049 -7.712 28.253 1.00 23.02 C ATOM 71 CE1 HIS A 5 -2.803 -7.247 30.381 1.00 70.42 C ATOM 72 NE2 HIS A 5 -2.145 -7.533 29.275 1.00 30.15 N ATOM 0 H HIS A 5 -6.122 -5.343 28.961 1.00 74.30 H new ATOM 0 HA HIS A 5 -5.245 -6.355 26.440 1.00 43.22 H new ATOM 0 HB2 HIS A 5 -6.403 -7.706 28.933 1.00 32.12 H new ATOM 0 HB3 HIS A 5 -5.702 -8.583 27.587 1.00 32.12 H new ATOM 0 HD2 HIS A 5 -2.816 -7.952 27.226 1.00 23.02 H new ATOM 0 HE1 HIS A 5 -2.359 -7.052 31.346 1.00 70.42 H new ATOM 0 HE2 HIS A 5 -1.131 -7.609 29.191 1.00 30.15 H new ATOM 81 N HIS A 6 -7.325 -6.628 25.089 1.00 43.13 N ATOM 82 CA HIS A 6 -8.478 -6.948 24.202 1.00 65.33 C ATOM 83 C HIS A 6 -8.513 -8.457 23.823 1.00 41.24 C ATOM 84 O HIS A 6 -7.510 -9.168 23.939 1.00 20.54 O ATOM 85 CB HIS A 6 -8.434 -6.092 22.907 1.00 71.52 C ATOM 86 CG HIS A 6 -8.690 -4.622 23.091 1.00 3.43 C ATOM 87 ND1 HIS A 6 -9.884 -4.025 22.753 1.00 15.33 N ATOM 88 CD2 HIS A 6 -7.896 -3.623 23.534 1.00 52.01 C ATOM 89 CE1 HIS A 6 -9.813 -2.733 22.975 1.00 22.12 C ATOM 90 NE2 HIS A 6 -8.619 -2.459 23.451 1.00 20.40 N ATOM 0 H HIS A 6 -6.516 -6.259 24.589 1.00 43.13 H new ATOM 0 HA HIS A 6 -9.383 -6.712 24.761 1.00 65.33 H new ATOM 0 HB2 HIS A 6 -7.455 -6.217 22.443 1.00 71.52 H new ATOM 0 HB3 HIS A 6 -9.171 -6.486 22.207 1.00 71.52 H new ATOM 0 HD2 HIS A 6 -6.880 -3.722 23.888 1.00 52.01 H new ATOM 0 HE1 HIS A 6 -10.602 -2.017 22.797 1.00 22.12 H new ATOM 0 HE2 HIS A 6 -8.284 -1.533 23.716 1.00 20.40 H new ATOM 99 N HIS A 7 -9.691 -8.919 23.360 1.00 73.10 N ATOM 100 CA HIS A 7 -9.903 -10.305 22.878 1.00 34.22 C ATOM 101 C HIS A 7 -10.076 -10.300 21.337 1.00 30.51 C ATOM 102 O HIS A 7 -11.061 -9.760 20.824 1.00 3.51 O ATOM 103 CB HIS A 7 -11.154 -10.922 23.565 1.00 70.01 C ATOM 104 CG HIS A 7 -11.079 -10.949 25.069 1.00 23.33 C ATOM 105 ND1 HIS A 7 -11.065 -9.803 25.837 1.00 63.44 N ATOM 106 CD2 HIS A 7 -10.998 -11.979 25.943 1.00 72.52 C ATOM 107 CE1 HIS A 7 -10.978 -10.123 27.107 1.00 4.12 C ATOM 108 NE2 HIS A 7 -10.935 -11.434 27.202 1.00 22.01 N ATOM 0 H HIS A 7 -10.529 -8.340 23.308 1.00 73.10 H new ATOM 0 HA HIS A 7 -9.035 -10.913 23.133 1.00 34.22 H new ATOM 0 HB2 HIS A 7 -12.036 -10.355 23.266 1.00 70.01 H new ATOM 0 HB3 HIS A 7 -11.290 -11.940 23.200 1.00 70.01 H new ATOM 0 HD2 HIS A 7 -10.985 -13.031 25.697 1.00 72.52 H new ATOM 0 HE1 HIS A 7 -10.947 -9.428 27.933 1.00 4.12 H new ATOM 0 HE2 HIS A 7 -10.866 -11.962 28.072 1.00 22.01 H new ATOM 117 N HIS A 8 -9.101 -10.880 20.606 1.00 2.20 N ATOM 118 CA HIS A 8 -9.129 -10.947 19.125 1.00 31.14 C ATOM 119 C HIS A 8 -10.136 -12.030 18.634 1.00 35.30 C ATOM 120 O HIS A 8 -9.737 -13.138 18.257 1.00 21.34 O ATOM 121 CB HIS A 8 -7.699 -11.241 18.585 1.00 31.54 C ATOM 122 CG HIS A 8 -6.662 -10.192 18.916 1.00 12.51 C ATOM 123 ND1 HIS A 8 -6.020 -10.119 20.138 1.00 31.21 N ATOM 124 CD2 HIS A 8 -6.157 -9.171 18.177 1.00 34.34 C ATOM 125 CE1 HIS A 8 -5.179 -9.103 20.136 1.00 43.05 C ATOM 126 NE2 HIS A 8 -5.242 -8.515 18.964 1.00 72.24 N ATOM 0 H HIS A 8 -8.276 -11.313 21.020 1.00 2.20 H new ATOM 0 HA HIS A 8 -9.463 -9.984 18.738 1.00 31.14 H new ATOM 0 HB2 HIS A 8 -7.366 -12.199 18.985 1.00 31.54 H new ATOM 0 HB3 HIS A 8 -7.751 -11.349 17.502 1.00 31.54 H new ATOM 0 HD2 HIS A 8 -6.425 -8.921 17.161 1.00 34.34 H new ATOM 0 HE1 HIS A 8 -4.546 -8.805 20.959 1.00 43.05 H new ATOM 0 HE2 HIS A 8 -4.698 -7.700 18.682 1.00 72.24 H new ATOM 135 N SER A 9 -11.447 -11.708 18.683 1.00 62.33 N ATOM 136 CA SER A 9 -12.527 -12.655 18.307 1.00 32.33 C ATOM 137 C SER A 9 -12.737 -12.679 16.774 1.00 22.31 C ATOM 138 O SER A 9 -13.601 -11.971 16.233 1.00 44.24 O ATOM 139 CB SER A 9 -13.849 -12.302 19.047 1.00 33.12 C ATOM 140 OG SER A 9 -14.907 -13.197 18.713 1.00 71.52 O ATOM 0 H SER A 9 -11.787 -10.794 18.981 1.00 62.33 H new ATOM 0 HA SER A 9 -12.223 -13.655 18.615 1.00 32.33 H new ATOM 0 HB2 SER A 9 -13.679 -12.328 20.123 1.00 33.12 H new ATOM 0 HB3 SER A 9 -14.144 -11.283 18.795 1.00 33.12 H new ATOM 0 HG SER A 9 -15.718 -12.941 19.200 1.00 71.52 H new ATOM 146 N HIS A 10 -11.889 -13.461 16.076 1.00 62.41 N ATOM 147 CA HIS A 10 -11.946 -13.642 14.605 1.00 24.22 C ATOM 148 C HIS A 10 -11.519 -15.076 14.217 1.00 11.43 C ATOM 149 O HIS A 10 -10.514 -15.593 14.717 1.00 75.34 O ATOM 150 CB HIS A 10 -11.037 -12.611 13.872 1.00 63.11 C ATOM 151 CG HIS A 10 -11.532 -11.188 13.935 1.00 2.33 C ATOM 152 ND1 HIS A 10 -12.654 -10.766 13.253 1.00 54.53 N ATOM 153 CD2 HIS A 10 -11.063 -10.091 14.589 1.00 24.45 C ATOM 154 CE1 HIS A 10 -12.863 -9.490 13.492 1.00 43.35 C ATOM 155 NE2 HIS A 10 -11.913 -9.051 14.292 1.00 74.44 N ATOM 0 H HIS A 10 -11.138 -13.991 16.518 1.00 62.41 H new ATOM 0 HA HIS A 10 -12.978 -13.477 14.295 1.00 24.22 H new ATOM 0 HB2 HIS A 10 -10.037 -12.654 14.304 1.00 63.11 H new ATOM 0 HB3 HIS A 10 -10.945 -12.905 12.826 1.00 63.11 H new ATOM 0 HD2 HIS A 10 -10.189 -10.045 15.222 1.00 24.45 H new ATOM 0 HE1 HIS A 10 -13.678 -8.900 13.098 1.00 43.35 H new ATOM 0 HE2 HIS A 10 -11.822 -8.095 14.636 1.00 74.44 H new ATOM 164 N MET A 11 -12.304 -15.696 13.323 1.00 34.22 N ATOM 165 CA MET A 11 -12.019 -17.025 12.747 1.00 61.51 C ATOM 166 C MET A 11 -12.271 -16.976 11.223 1.00 11.32 C ATOM 167 O MET A 11 -13.346 -16.539 10.789 1.00 22.35 O ATOM 168 CB MET A 11 -12.919 -18.104 13.419 1.00 55.02 C ATOM 169 CG MET A 11 -12.701 -19.534 12.904 1.00 41.35 C ATOM 170 SD MET A 11 -13.830 -20.739 13.650 1.00 1.41 S ATOM 171 CE MET A 11 -13.319 -20.717 15.372 1.00 5.02 C ATOM 0 H MET A 11 -13.169 -15.284 12.973 1.00 34.22 H new ATOM 0 HA MET A 11 -10.978 -17.292 12.930 1.00 61.51 H new ATOM 0 HB2 MET A 11 -12.740 -18.088 14.494 1.00 55.02 H new ATOM 0 HB3 MET A 11 -13.964 -17.833 13.266 1.00 55.02 H new ATOM 0 HG2 MET A 11 -12.829 -19.547 11.822 1.00 41.35 H new ATOM 0 HG3 MET A 11 -11.673 -19.834 13.107 1.00 41.35 H new ATOM 0 HE1 MET A 11 -13.777 -21.555 15.898 1.00 5.02 H new ATOM 0 HE2 MET A 11 -12.234 -20.801 15.431 1.00 5.02 H new ATOM 0 HE3 MET A 11 -13.636 -19.782 15.834 1.00 5.02 H new ATOM 181 N ILE A 12 -11.277 -17.402 10.416 1.00 53.21 N ATOM 182 CA ILE A 12 -11.390 -17.402 8.939 1.00 13.13 C ATOM 183 C ILE A 12 -12.338 -18.547 8.492 1.00 72.24 C ATOM 184 O ILE A 12 -11.940 -19.714 8.368 1.00 74.31 O ATOM 185 CB ILE A 12 -9.984 -17.481 8.192 1.00 3.15 C ATOM 186 CG1 ILE A 12 -9.127 -16.176 8.415 1.00 64.40 C ATOM 187 CG2 ILE A 12 -10.167 -17.739 6.662 1.00 64.00 C ATOM 188 CD1 ILE A 12 -8.632 -15.927 9.831 1.00 25.43 C ATOM 0 H ILE A 12 -10.384 -17.752 10.762 1.00 53.21 H new ATOM 0 HA ILE A 12 -11.814 -16.442 8.646 1.00 13.13 H new ATOM 0 HB ILE A 12 -9.445 -18.322 8.628 1.00 3.15 H new ATOM 0 HG12 ILE A 12 -8.262 -16.218 7.753 1.00 64.40 H new ATOM 0 HG13 ILE A 12 -9.724 -15.318 8.106 1.00 64.40 H new ATOM 0 HG21 ILE A 12 -9.190 -17.787 6.182 1.00 64.00 H new ATOM 0 HG22 ILE A 12 -10.692 -18.682 6.512 1.00 64.00 H new ATOM 0 HG23 ILE A 12 -10.747 -16.927 6.223 1.00 64.00 H new ATOM 0 HD11 ILE A 12 -8.056 -15.002 9.858 1.00 25.43 H new ATOM 0 HD12 ILE A 12 -9.485 -15.843 10.505 1.00 25.43 H new ATOM 0 HD13 ILE A 12 -8.000 -16.757 10.147 1.00 25.43 H new ATOM 200 N LYS A 13 -13.621 -18.185 8.348 1.00 3.14 N ATOM 201 CA LYS A 13 -14.697 -19.070 7.867 1.00 5.20 C ATOM 202 C LYS A 13 -15.110 -18.679 6.421 1.00 52.35 C ATOM 203 O LYS A 13 -16.233 -18.955 5.977 1.00 0.14 O ATOM 204 CB LYS A 13 -15.894 -18.967 8.861 1.00 53.42 C ATOM 205 CG LYS A 13 -15.561 -19.467 10.290 1.00 51.23 C ATOM 206 CD LYS A 13 -16.703 -19.235 11.311 1.00 44.03 C ATOM 207 CE LYS A 13 -16.961 -17.745 11.594 1.00 3.03 C ATOM 208 NZ LYS A 13 -18.087 -17.536 12.536 1.00 75.55 N ATOM 0 H LYS A 13 -13.950 -17.245 8.568 1.00 3.14 H new ATOM 0 HA LYS A 13 -14.355 -20.104 7.830 1.00 5.20 H new ATOM 0 HB2 LYS A 13 -16.221 -17.929 8.916 1.00 53.42 H new ATOM 0 HB3 LYS A 13 -16.731 -19.545 8.469 1.00 53.42 H new ATOM 0 HG2 LYS A 13 -15.333 -20.532 10.249 1.00 51.23 H new ATOM 0 HG3 LYS A 13 -14.662 -18.961 10.642 1.00 51.23 H new ATOM 0 HD2 LYS A 13 -17.618 -19.692 10.934 1.00 44.03 H new ATOM 0 HD3 LYS A 13 -16.456 -19.739 12.245 1.00 44.03 H new ATOM 0 HE2 LYS A 13 -16.058 -17.294 12.006 1.00 3.03 H new ATOM 0 HE3 LYS A 13 -17.175 -17.231 10.657 1.00 3.03 H new ATOM 0 HZ1 LYS A 13 -18.222 -16.517 12.695 1.00 75.55 H new ATOM 0 HZ2 LYS A 13 -18.956 -17.942 12.134 1.00 75.55 H new ATOM 0 HZ3 LYS A 13 -17.874 -18.002 13.441 1.00 75.55 H new ATOM 222 N ARG A 14 -14.164 -18.047 5.685 1.00 14.35 N ATOM 223 CA ARG A 14 -14.358 -17.642 4.277 1.00 32.32 C ATOM 224 C ARG A 14 -14.029 -18.808 3.325 1.00 61.01 C ATOM 225 O ARG A 14 -12.940 -18.870 2.743 1.00 51.24 O ATOM 226 CB ARG A 14 -13.510 -16.376 3.947 1.00 53.40 C ATOM 227 CG ARG A 14 -13.791 -15.125 4.825 1.00 44.32 C ATOM 228 CD ARG A 14 -15.250 -14.593 4.727 1.00 72.25 C ATOM 229 NE ARG A 14 -16.226 -15.473 5.413 1.00 21.11 N ATOM 230 CZ ARG A 14 -17.506 -15.603 5.109 1.00 43.24 C ATOM 231 NH1 ARG A 14 -18.065 -14.883 4.192 1.00 40.45 N ATOM 232 NH2 ARG A 14 -18.225 -16.458 5.752 1.00 31.24 N ATOM 0 H ARG A 14 -13.245 -17.805 6.054 1.00 14.35 H new ATOM 0 HA ARG A 14 -15.407 -17.384 4.132 1.00 32.32 H new ATOM 0 HB2 ARG A 14 -12.455 -16.634 4.042 1.00 53.40 H new ATOM 0 HB3 ARG A 14 -13.680 -16.110 2.904 1.00 53.40 H new ATOM 0 HG2 ARG A 14 -13.574 -15.368 5.865 1.00 44.32 H new ATOM 0 HG3 ARG A 14 -13.105 -14.329 4.534 1.00 44.32 H new ATOM 0 HD2 ARG A 14 -15.299 -13.595 5.162 1.00 72.25 H new ATOM 0 HD3 ARG A 14 -15.528 -14.497 3.677 1.00 72.25 H new ATOM 0 HE ARG A 14 -15.877 -16.031 6.193 1.00 21.11 H new ATOM 0 HH11 ARG A 14 -17.516 -14.192 3.681 1.00 40.45 H new ATOM 0 HH12 ARG A 14 -19.055 -15.006 3.980 1.00 40.45 H new ATOM 0 HH21 ARG A 14 -17.805 -17.026 6.488 1.00 31.24 H new ATOM 0 HH22 ARG A 14 -19.214 -16.566 5.525 1.00 31.24 H new ATOM 246 N THR A 15 -14.976 -19.769 3.235 1.00 62.31 N ATOM 247 CA THR A 15 -14.921 -20.891 2.264 1.00 33.22 C ATOM 248 C THR A 15 -14.909 -20.341 0.812 1.00 42.13 C ATOM 249 O THR A 15 -14.209 -20.860 -0.067 1.00 45.34 O ATOM 250 CB THR A 15 -16.139 -21.865 2.457 1.00 24.13 C ATOM 251 OG1 THR A 15 -16.154 -22.373 3.803 1.00 44.23 O ATOM 252 CG2 THR A 15 -16.121 -23.052 1.475 1.00 72.24 C ATOM 0 H THR A 15 -15.802 -19.791 3.833 1.00 62.31 H new ATOM 0 HA THR A 15 -14.003 -21.450 2.445 1.00 33.22 H new ATOM 0 HB THR A 15 -17.037 -21.282 2.254 1.00 24.13 H new ATOM 0 HG1 THR A 15 -16.917 -22.978 3.916 1.00 44.23 H new ATOM 0 HG21 THR A 15 -16.987 -23.689 1.658 1.00 72.24 H new ATOM 0 HG22 THR A 15 -16.155 -22.678 0.452 1.00 72.24 H new ATOM 0 HG23 THR A 15 -15.208 -23.630 1.620 1.00 72.24 H new ATOM 260 N ASN A 16 -15.683 -19.263 0.601 1.00 50.35 N ATOM 261 CA ASN A 16 -15.717 -18.518 -0.667 1.00 52.21 C ATOM 262 C ASN A 16 -14.871 -17.219 -0.557 1.00 33.22 C ATOM 263 O ASN A 16 -15.276 -16.258 0.108 1.00 13.12 O ATOM 264 CB ASN A 16 -17.185 -18.188 -1.046 1.00 33.30 C ATOM 265 CG ASN A 16 -17.293 -17.437 -2.374 1.00 55.33 C ATOM 266 OD1 ASN A 16 -17.372 -16.215 -2.410 1.00 50.33 O ATOM 267 ND2 ASN A 16 -17.259 -18.161 -3.474 1.00 45.00 N ATOM 0 H ASN A 16 -16.307 -18.882 1.312 1.00 50.35 H new ATOM 0 HA ASN A 16 -15.285 -19.137 -1.453 1.00 52.21 H new ATOM 0 HB2 ASN A 16 -17.757 -19.113 -1.108 1.00 33.30 H new ATOM 0 HB3 ASN A 16 -17.635 -17.588 -0.255 1.00 33.30 H new ATOM 0 HD21 ASN A 16 -17.299 -17.705 -4.386 1.00 45.00 H new ATOM 0 HD22 ASN A 16 -17.193 -19.177 -3.414 1.00 45.00 H new ATOM 274 N GLU A 17 -13.680 -17.221 -1.186 1.00 13.02 N ATOM 275 CA GLU A 17 -12.844 -16.006 -1.346 1.00 52.25 C ATOM 276 C GLU A 17 -11.961 -16.125 -2.626 1.00 12.51 C ATOM 277 O GLU A 17 -10.779 -16.487 -2.547 1.00 33.54 O ATOM 278 CB GLU A 17 -11.983 -15.731 -0.070 1.00 31.40 C ATOM 279 CG GLU A 17 -11.257 -14.358 -0.070 1.00 20.31 C ATOM 280 CD GLU A 17 -10.429 -14.060 1.203 1.00 21.13 C ATOM 281 OE1 GLU A 17 -10.808 -14.523 2.308 1.00 35.10 O ATOM 282 OE2 GLU A 17 -9.424 -13.303 1.113 1.00 45.42 O ATOM 0 H GLU A 17 -13.268 -18.059 -1.597 1.00 13.02 H new ATOM 0 HA GLU A 17 -13.504 -15.147 -1.469 1.00 52.25 H new ATOM 0 HB2 GLU A 17 -12.627 -15.788 0.807 1.00 31.40 H new ATOM 0 HB3 GLU A 17 -11.239 -16.522 0.029 1.00 31.40 H new ATOM 0 HG2 GLU A 17 -10.595 -14.313 -0.935 1.00 20.31 H new ATOM 0 HG3 GLU A 17 -12.000 -13.570 -0.195 1.00 20.31 H new ATOM 289 N PRO A 18 -12.561 -15.898 -3.850 1.00 71.35 N ATOM 290 CA PRO A 18 -11.796 -15.782 -5.130 1.00 44.43 C ATOM 291 C PRO A 18 -10.796 -14.591 -5.161 1.00 22.30 C ATOM 292 O PRO A 18 -10.841 -13.698 -4.313 1.00 24.31 O ATOM 293 CB PRO A 18 -12.913 -15.587 -6.202 1.00 42.00 C ATOM 294 CG PRO A 18 -14.152 -16.141 -5.563 1.00 54.13 C ATOM 295 CD PRO A 18 -14.024 -15.807 -4.097 1.00 53.44 C ATOM 0 HA PRO A 18 -11.167 -16.657 -5.290 1.00 44.43 H new ATOM 0 HB2 PRO A 18 -13.036 -14.535 -6.459 1.00 42.00 H new ATOM 0 HB3 PRO A 18 -12.673 -16.115 -7.125 1.00 42.00 H new ATOM 0 HG2 PRO A 18 -15.049 -15.695 -5.992 1.00 54.13 H new ATOM 0 HG3 PRO A 18 -14.227 -17.218 -5.717 1.00 54.13 H new ATOM 0 HD2 PRO A 18 -14.408 -14.811 -3.877 1.00 53.44 H new ATOM 0 HD3 PRO A 18 -14.581 -16.508 -3.475 1.00 53.44 H new ATOM 303 N LEU A 19 -9.922 -14.582 -6.185 1.00 34.45 N ATOM 304 CA LEU A 19 -8.909 -13.513 -6.398 1.00 13.10 C ATOM 305 C LEU A 19 -9.563 -12.158 -6.772 1.00 74.23 C ATOM 306 O LEU A 19 -9.032 -11.094 -6.442 1.00 33.42 O ATOM 307 CB LEU A 19 -7.874 -13.960 -7.491 1.00 5.12 C ATOM 308 CG LEU A 19 -6.394 -14.100 -7.017 1.00 42.02 C ATOM 309 CD1 LEU A 19 -5.793 -12.735 -6.614 1.00 43.22 C ATOM 310 CD2 LEU A 19 -6.279 -15.120 -5.867 1.00 74.34 C ATOM 0 H LEU A 19 -9.893 -15.315 -6.894 1.00 34.45 H new ATOM 0 HA LEU A 19 -8.383 -13.360 -5.456 1.00 13.10 H new ATOM 0 HB2 LEU A 19 -8.196 -14.919 -7.897 1.00 5.12 H new ATOM 0 HB3 LEU A 19 -7.906 -13.240 -8.309 1.00 5.12 H new ATOM 0 HG LEU A 19 -5.813 -14.474 -7.860 1.00 42.02 H new ATOM 0 HD11 LEU A 19 -4.762 -12.873 -6.290 1.00 43.22 H new ATOM 0 HD12 LEU A 19 -5.817 -12.060 -7.470 1.00 43.22 H new ATOM 0 HD13 LEU A 19 -6.376 -12.308 -5.798 1.00 43.22 H new ATOM 0 HD21 LEU A 19 -5.238 -15.200 -5.554 1.00 74.34 H new ATOM 0 HD22 LEU A 19 -6.887 -14.789 -5.025 1.00 74.34 H new ATOM 0 HD23 LEU A 19 -6.631 -16.094 -6.208 1.00 74.34 H new ATOM 322 N ASP A 20 -10.692 -12.223 -7.499 1.00 14.12 N ATOM 323 CA ASP A 20 -11.510 -11.031 -7.829 1.00 74.12 C ATOM 324 C ASP A 20 -12.094 -10.379 -6.543 1.00 15.22 C ATOM 325 O ASP A 20 -12.031 -9.152 -6.375 1.00 70.52 O ATOM 326 CB ASP A 20 -12.642 -11.419 -8.813 1.00 62.30 C ATOM 327 CG ASP A 20 -13.494 -10.212 -9.243 1.00 63.15 C ATOM 328 OD1 ASP A 20 -13.011 -9.395 -10.054 1.00 11.10 O ATOM 329 OD2 ASP A 20 -14.638 -10.067 -8.762 1.00 62.21 O ATOM 0 H ASP A 20 -11.066 -13.095 -7.875 1.00 14.12 H new ATOM 0 HA ASP A 20 -10.867 -10.294 -8.310 1.00 74.12 H new ATOM 0 HB2 ASP A 20 -12.206 -11.884 -9.697 1.00 62.30 H new ATOM 0 HB3 ASP A 20 -13.285 -12.164 -8.345 1.00 62.30 H new ATOM 334 N LYS A 21 -12.645 -11.218 -5.638 1.00 12.23 N ATOM 335 CA LYS A 21 -13.144 -10.752 -4.321 1.00 45.20 C ATOM 336 C LYS A 21 -11.994 -10.214 -3.441 1.00 40.40 C ATOM 337 O LYS A 21 -12.167 -9.215 -2.759 1.00 1.11 O ATOM 338 CB LYS A 21 -13.919 -11.861 -3.561 1.00 25.33 C ATOM 339 CG LYS A 21 -15.344 -12.097 -4.096 1.00 70.14 C ATOM 340 CD LYS A 21 -16.196 -12.984 -3.162 1.00 3.30 C ATOM 341 CE LYS A 21 -17.626 -13.165 -3.687 1.00 73.31 C ATOM 342 NZ LYS A 21 -18.398 -11.895 -3.675 1.00 54.01 N ATOM 0 H LYS A 21 -12.756 -12.220 -5.793 1.00 12.23 H new ATOM 0 HA LYS A 21 -13.839 -9.938 -4.526 1.00 45.20 H new ATOM 0 HB2 LYS A 21 -13.357 -12.793 -3.624 1.00 25.33 H new ATOM 0 HB3 LYS A 21 -13.976 -11.594 -2.506 1.00 25.33 H new ATOM 0 HG2 LYS A 21 -15.841 -11.136 -4.229 1.00 70.14 H new ATOM 0 HG3 LYS A 21 -15.285 -12.564 -5.079 1.00 70.14 H new ATOM 0 HD2 LYS A 21 -15.722 -13.960 -3.057 1.00 3.30 H new ATOM 0 HD3 LYS A 21 -16.229 -12.537 -2.168 1.00 3.30 H new ATOM 0 HE2 LYS A 21 -17.590 -13.556 -4.704 1.00 73.31 H new ATOM 0 HE3 LYS A 21 -18.143 -13.907 -3.078 1.00 73.31 H new ATOM 0 HZ1 LYS A 21 -19.392 -12.091 -3.908 1.00 54.01 H new ATOM 0 HZ2 LYS A 21 -18.342 -11.464 -2.730 1.00 54.01 H new ATOM 0 HZ3 LYS A 21 -18.000 -11.240 -4.378 1.00 54.01 H new ATOM 356 N LYS A 22 -10.828 -10.890 -3.479 1.00 21.22 N ATOM 357 CA LYS A 22 -9.633 -10.511 -2.680 1.00 31.34 C ATOM 358 C LYS A 22 -9.083 -9.127 -3.107 1.00 64.35 C ATOM 359 O LYS A 22 -8.681 -8.329 -2.262 1.00 15.24 O ATOM 360 CB LYS A 22 -8.524 -11.585 -2.817 1.00 12.32 C ATOM 361 CG LYS A 22 -7.281 -11.346 -1.926 1.00 34.10 C ATOM 362 CD LYS A 22 -6.225 -12.456 -2.091 1.00 54.31 C ATOM 363 CE LYS A 22 -5.144 -12.436 -0.997 1.00 21.33 C ATOM 364 NZ LYS A 22 -4.339 -13.686 -0.998 1.00 64.10 N ATOM 0 H LYS A 22 -10.683 -11.714 -4.062 1.00 21.22 H new ATOM 0 HA LYS A 22 -9.942 -10.448 -1.637 1.00 31.34 H new ATOM 0 HB2 LYS A 22 -8.948 -12.559 -2.573 1.00 12.32 H new ATOM 0 HB3 LYS A 22 -8.205 -11.628 -3.858 1.00 12.32 H new ATOM 0 HG2 LYS A 22 -6.836 -10.383 -2.177 1.00 34.10 H new ATOM 0 HG3 LYS A 22 -7.589 -11.292 -0.882 1.00 34.10 H new ATOM 0 HD2 LYS A 22 -6.723 -13.426 -2.082 1.00 54.31 H new ATOM 0 HD3 LYS A 22 -5.748 -12.352 -3.065 1.00 54.31 H new ATOM 0 HE2 LYS A 22 -4.487 -11.580 -1.150 1.00 21.33 H new ATOM 0 HE3 LYS A 22 -5.615 -12.307 -0.022 1.00 21.33 H new ATOM 0 HZ1 LYS A 22 -4.050 -13.913 -0.025 1.00 64.10 H new ATOM 0 HZ2 LYS A 22 -4.910 -14.466 -1.381 1.00 64.10 H new ATOM 0 HZ3 LYS A 22 -3.493 -13.554 -1.589 1.00 64.10 H new ATOM 378 N ARG A 23 -9.064 -8.876 -4.430 1.00 52.22 N ATOM 379 CA ARG A 23 -8.711 -7.556 -5.011 1.00 15.45 C ATOM 380 C ARG A 23 -9.620 -6.437 -4.442 1.00 72.14 C ATOM 381 O ARG A 23 -9.135 -5.406 -3.968 1.00 13.40 O ATOM 382 CB ARG A 23 -8.817 -7.617 -6.563 1.00 24.31 C ATOM 383 CG ARG A 23 -8.496 -6.291 -7.298 1.00 41.11 C ATOM 384 CD ARG A 23 -8.532 -6.428 -8.834 1.00 32.31 C ATOM 385 NE ARG A 23 -9.864 -6.822 -9.336 1.00 5.51 N ATOM 386 CZ ARG A 23 -10.235 -6.809 -10.605 1.00 63.42 C ATOM 387 NH1 ARG A 23 -9.420 -6.441 -11.549 1.00 54.24 N ATOM 388 NH2 ARG A 23 -11.432 -7.169 -10.910 1.00 21.24 N ATOM 0 H ARG A 23 -9.293 -9.580 -5.131 1.00 52.22 H new ATOM 0 HA ARG A 23 -7.683 -7.318 -4.736 1.00 15.45 H new ATOM 0 HB2 ARG A 23 -8.140 -8.389 -6.928 1.00 24.31 H new ATOM 0 HB3 ARG A 23 -9.827 -7.927 -6.830 1.00 24.31 H new ATOM 0 HG2 ARG A 23 -9.212 -5.529 -6.990 1.00 41.11 H new ATOM 0 HG3 ARG A 23 -7.509 -5.943 -6.993 1.00 41.11 H new ATOM 0 HD2 ARG A 23 -8.243 -5.480 -9.287 1.00 32.31 H new ATOM 0 HD3 ARG A 23 -7.796 -7.168 -9.147 1.00 32.31 H new ATOM 0 HE ARG A 23 -10.553 -7.129 -8.649 1.00 5.51 H new ATOM 0 HH11 ARG A 23 -8.469 -6.153 -11.318 1.00 54.24 H new ATOM 0 HH12 ARG A 23 -9.732 -6.440 -12.520 1.00 54.24 H new ATOM 0 HH21 ARG A 23 -12.080 -7.459 -10.177 1.00 21.24 H new ATOM 0 HH22 ARG A 23 -11.733 -7.164 -11.884 1.00 21.24 H new ATOM 402 N ALA A 24 -10.938 -6.685 -4.460 1.00 51.10 N ATOM 403 CA ALA A 24 -11.942 -5.750 -3.900 1.00 10.43 C ATOM 404 C ALA A 24 -11.761 -5.551 -2.368 1.00 1.41 C ATOM 405 O ALA A 24 -11.897 -4.438 -1.856 1.00 31.20 O ATOM 406 CB ALA A 24 -13.348 -6.263 -4.220 1.00 25.12 C ATOM 0 H ALA A 24 -11.342 -7.532 -4.859 1.00 51.10 H new ATOM 0 HA ALA A 24 -11.797 -4.774 -4.363 1.00 10.43 H new ATOM 0 HB1 ALA A 24 -14.088 -5.577 -3.809 1.00 25.12 H new ATOM 0 HB2 ALA A 24 -13.474 -6.328 -5.301 1.00 25.12 H new ATOM 0 HB3 ALA A 24 -13.484 -7.250 -3.779 1.00 25.12 H new ATOM 412 N ARG A 25 -11.450 -6.657 -1.660 1.00 23.42 N ATOM 413 CA ARG A 25 -11.178 -6.666 -0.200 1.00 34.41 C ATOM 414 C ARG A 25 -9.916 -5.850 0.158 1.00 32.42 C ATOM 415 O ARG A 25 -9.880 -5.204 1.198 1.00 31.55 O ATOM 416 CB ARG A 25 -11.040 -8.136 0.309 1.00 10.10 C ATOM 417 CG ARG A 25 -12.380 -8.909 0.387 1.00 13.34 C ATOM 418 CD ARG A 25 -12.207 -10.446 0.466 1.00 45.11 C ATOM 419 NE ARG A 25 -11.319 -10.893 1.562 1.00 1.14 N ATOM 420 CZ ARG A 25 -11.680 -11.115 2.815 1.00 44.42 C ATOM 421 NH1 ARG A 25 -12.871 -10.831 3.246 1.00 63.23 N ATOM 422 NH2 ARG A 25 -10.818 -11.633 3.630 1.00 53.23 N ATOM 0 H ARG A 25 -11.379 -7.581 -2.087 1.00 23.42 H new ATOM 0 HA ARG A 25 -12.023 -6.190 0.298 1.00 34.41 H new ATOM 0 HB2 ARG A 25 -10.360 -8.675 -0.351 1.00 10.10 H new ATOM 0 HB3 ARG A 25 -10.582 -8.125 1.298 1.00 10.10 H new ATOM 0 HG2 ARG A 25 -12.935 -8.569 1.261 1.00 13.34 H new ATOM 0 HG3 ARG A 25 -12.982 -8.664 -0.488 1.00 13.34 H new ATOM 0 HD2 ARG A 25 -13.187 -10.906 0.595 1.00 45.11 H new ATOM 0 HD3 ARG A 25 -11.808 -10.806 -0.482 1.00 45.11 H new ATOM 0 HE ARG A 25 -10.337 -11.044 1.330 1.00 1.14 H new ATOM 0 HH11 ARG A 25 -13.559 -10.425 2.612 1.00 63.23 H new ATOM 0 HH12 ARG A 25 -13.119 -11.014 4.218 1.00 63.23 H new ATOM 0 HH21 ARG A 25 -9.880 -11.862 3.302 1.00 53.23 H new ATOM 0 HH22 ARG A 25 -11.077 -11.812 4.600 1.00 53.23 H new ATOM 436 N LEU A 26 -8.884 -5.893 -0.700 1.00 1.21 N ATOM 437 CA LEU A 26 -7.623 -5.154 -0.466 1.00 4.01 C ATOM 438 C LEU A 26 -7.802 -3.632 -0.689 1.00 4.33 C ATOM 439 O LEU A 26 -7.314 -2.836 0.113 1.00 65.30 O ATOM 440 CB LEU A 26 -6.481 -5.718 -1.345 1.00 35.30 C ATOM 441 CG LEU A 26 -5.914 -7.114 -0.930 1.00 31.22 C ATOM 442 CD1 LEU A 26 -4.855 -7.599 -1.934 1.00 51.33 C ATOM 443 CD2 LEU A 26 -5.341 -7.044 0.504 1.00 52.24 C ATOM 0 H LEU A 26 -8.894 -6.432 -1.566 1.00 1.21 H new ATOM 0 HA LEU A 26 -7.347 -5.297 0.579 1.00 4.01 H new ATOM 0 HB2 LEU A 26 -6.841 -5.786 -2.372 1.00 35.30 H new ATOM 0 HB3 LEU A 26 -5.660 -5.001 -1.342 1.00 35.30 H new ATOM 0 HG LEU A 26 -6.726 -7.841 -0.941 1.00 31.22 H new ATOM 0 HD11 LEU A 26 -4.477 -8.572 -1.622 1.00 51.33 H new ATOM 0 HD12 LEU A 26 -5.304 -7.684 -2.924 1.00 51.33 H new ATOM 0 HD13 LEU A 26 -4.033 -6.884 -1.969 1.00 51.33 H new ATOM 0 HD21 LEU A 26 -4.948 -8.020 0.787 1.00 52.24 H new ATOM 0 HD22 LEU A 26 -4.540 -6.306 0.540 1.00 52.24 H new ATOM 0 HD23 LEU A 26 -6.131 -6.756 1.198 1.00 52.24 H new ATOM 455 N ILE A 27 -8.516 -3.238 -1.770 1.00 3.25 N ATOM 456 CA ILE A 27 -8.874 -1.810 -2.024 1.00 45.54 C ATOM 457 C ILE A 27 -9.738 -1.255 -0.852 1.00 42.43 C ATOM 458 O ILE A 27 -9.584 -0.101 -0.431 1.00 31.55 O ATOM 459 CB ILE A 27 -9.637 -1.625 -3.402 1.00 53.34 C ATOM 460 CG1 ILE A 27 -8.800 -2.205 -4.588 1.00 2.35 C ATOM 461 CG2 ILE A 27 -9.989 -0.132 -3.664 1.00 11.31 C ATOM 462 CD1 ILE A 27 -9.489 -2.199 -5.950 1.00 12.13 C ATOM 0 H ILE A 27 -8.858 -3.883 -2.483 1.00 3.25 H new ATOM 0 HA ILE A 27 -7.944 -1.245 -2.086 1.00 45.54 H new ATOM 0 HB ILE A 27 -10.571 -2.183 -3.333 1.00 53.34 H new ATOM 0 HG12 ILE A 27 -7.874 -1.636 -4.667 1.00 2.35 H new ATOM 0 HG13 ILE A 27 -8.524 -3.231 -4.346 1.00 2.35 H new ATOM 0 HG21 ILE A 27 -10.511 -0.043 -4.617 1.00 11.31 H new ATOM 0 HG22 ILE A 27 -10.630 0.237 -2.863 1.00 11.31 H new ATOM 0 HG23 ILE A 27 -9.073 0.458 -3.696 1.00 11.31 H new ATOM 0 HD11 ILE A 27 -8.819 -2.623 -6.698 1.00 12.13 H new ATOM 0 HD12 ILE A 27 -10.400 -2.795 -5.899 1.00 12.13 H new ATOM 0 HD13 ILE A 27 -9.740 -1.175 -6.226 1.00 12.13 H new ATOM 474 N TYR A 28 -10.614 -2.123 -0.322 1.00 23.20 N ATOM 475 CA TYR A 28 -11.434 -1.845 0.879 1.00 24.22 C ATOM 476 C TYR A 28 -10.543 -1.584 2.129 1.00 45.35 C ATOM 477 O TYR A 28 -10.735 -0.595 2.831 1.00 24.12 O ATOM 478 CB TYR A 28 -12.392 -3.044 1.104 1.00 25.05 C ATOM 479 CG TYR A 28 -13.318 -2.955 2.330 1.00 51.44 C ATOM 480 CD1 TYR A 28 -14.395 -2.063 2.356 1.00 63.52 C ATOM 481 CD2 TYR A 28 -13.121 -3.770 3.449 1.00 20.10 C ATOM 482 CE1 TYR A 28 -15.239 -1.993 3.451 1.00 63.21 C ATOM 483 CE2 TYR A 28 -13.964 -3.702 4.540 1.00 62.22 C ATOM 484 CZ TYR A 28 -15.020 -2.813 4.539 1.00 0.40 C ATOM 485 OH TYR A 28 -15.856 -2.738 5.633 1.00 74.12 O ATOM 0 H TYR A 28 -10.778 -3.049 -0.716 1.00 23.20 H new ATOM 0 HA TYR A 28 -12.016 -0.937 0.723 1.00 24.22 H new ATOM 0 HB2 TYR A 28 -13.012 -3.159 0.215 1.00 25.05 H new ATOM 0 HB3 TYR A 28 -11.792 -3.950 1.193 1.00 25.05 H new ATOM 0 HD1 TYR A 28 -14.571 -1.418 1.508 1.00 63.52 H new ATOM 0 HD2 TYR A 28 -12.295 -4.465 3.460 1.00 20.10 H new ATOM 0 HE1 TYR A 28 -16.066 -1.299 3.454 1.00 63.21 H new ATOM 0 HE2 TYR A 28 -13.798 -4.343 5.393 1.00 62.22 H new ATOM 0 HH TYR A 28 -15.565 -3.382 6.312 1.00 74.12 H new ATOM 495 N GLN A 29 -9.559 -2.473 2.371 1.00 50.01 N ATOM 496 CA GLN A 29 -8.591 -2.353 3.503 1.00 34.20 C ATOM 497 C GLN A 29 -7.594 -1.171 3.310 1.00 35.24 C ATOM 498 O GLN A 29 -6.950 -0.729 4.264 1.00 20.03 O ATOM 499 CB GLN A 29 -7.807 -3.680 3.671 1.00 54.12 C ATOM 500 CG GLN A 29 -8.664 -4.900 4.055 1.00 54.23 C ATOM 501 CD GLN A 29 -7.873 -6.213 4.009 1.00 12.13 C ATOM 502 OE1 GLN A 29 -7.822 -6.847 2.855 1.00 12.03 O flip ATOM 503 NE2 GLN A 29 -7.296 -6.642 4.992 1.00 70.52 N flip ATOM 0 H GLN A 29 -9.405 -3.299 1.792 1.00 50.01 H new ATOM 0 HA GLN A 29 -9.170 -2.146 4.403 1.00 34.20 H new ATOM 0 HB2 GLN A 29 -7.289 -3.899 2.737 1.00 54.12 H new ATOM 0 HB3 GLN A 29 -7.042 -3.538 4.434 1.00 54.12 H new ATOM 0 HG2 GLN A 29 -9.065 -4.757 5.058 1.00 54.23 H new ATOM 0 HG3 GLN A 29 -9.516 -4.969 3.378 1.00 54.23 H new ATOM 0 HE21 GLN A 29 -7.349 -6.135 5.876 1.00 70.52 H new ATOM 0 HE22 GLN A 29 -6.760 -7.508 4.931 1.00 70.52 H new ATOM 512 N SER A 30 -7.458 -0.699 2.058 1.00 71.11 N ATOM 513 CA SER A 30 -6.678 0.521 1.723 1.00 60.41 C ATOM 514 C SER A 30 -7.468 1.787 2.097 1.00 61.23 C ATOM 515 O SER A 30 -6.888 2.815 2.462 1.00 55.43 O ATOM 516 CB SER A 30 -6.347 0.546 0.217 1.00 12.14 C ATOM 517 OG SER A 30 -5.652 -0.624 -0.169 1.00 34.10 O ATOM 0 H SER A 30 -7.883 -1.147 1.246 1.00 71.11 H new ATOM 0 HA SER A 30 -5.750 0.500 2.295 1.00 60.41 H new ATOM 0 HB2 SER A 30 -7.268 0.633 -0.360 1.00 12.14 H new ATOM 0 HB3 SER A 30 -5.743 1.424 -0.012 1.00 12.14 H new ATOM 0 HG SER A 30 -6.239 -1.402 -0.067 1.00 34.10 H new ATOM 523 N ARG A 31 -8.803 1.688 1.961 1.00 2.41 N ATOM 524 CA ARG A 31 -9.755 2.730 2.382 1.00 44.54 C ATOM 525 C ARG A 31 -10.065 2.640 3.896 1.00 32.51 C ATOM 526 O ARG A 31 -10.636 3.566 4.471 1.00 55.54 O ATOM 527 CB ARG A 31 -11.043 2.626 1.519 1.00 44.50 C ATOM 528 CG ARG A 31 -10.787 2.959 0.034 1.00 70.55 C ATOM 529 CD ARG A 31 -12.031 2.885 -0.857 1.00 10.21 C ATOM 530 NE ARG A 31 -11.756 3.446 -2.199 1.00 5.52 N ATOM 531 CZ ARG A 31 -12.251 3.001 -3.334 1.00 20.45 C ATOM 532 NH1 ARG A 31 -13.017 1.951 -3.366 1.00 24.41 N ATOM 533 NH2 ARG A 31 -11.957 3.609 -4.435 1.00 4.41 N ATOM 0 H ARG A 31 -9.256 0.871 1.550 1.00 2.41 H new ATOM 0 HA ARG A 31 -9.305 3.709 2.221 1.00 44.54 H new ATOM 0 HB2 ARG A 31 -11.449 1.617 1.597 1.00 44.50 H new ATOM 0 HB3 ARG A 31 -11.798 3.305 1.915 1.00 44.50 H new ATOM 0 HG2 ARG A 31 -10.367 3.962 -0.033 1.00 70.55 H new ATOM 0 HG3 ARG A 31 -10.035 2.272 -0.355 1.00 70.55 H new ATOM 0 HD2 ARG A 31 -12.354 1.848 -0.951 1.00 10.21 H new ATOM 0 HD3 ARG A 31 -12.850 3.433 -0.391 1.00 10.21 H new ATOM 0 HE ARG A 31 -11.128 4.248 -2.248 1.00 5.52 H new ATOM 0 HH11 ARG A 31 -13.243 1.458 -2.502 1.00 24.41 H new ATOM 0 HH12 ARG A 31 -13.392 1.620 -4.255 1.00 24.41 H new ATOM 0 HH21 ARG A 31 -11.346 4.426 -4.419 1.00 4.41 H new ATOM 0 HH22 ARG A 31 -12.335 3.272 -5.320 1.00 4.41 H new ATOM 547 N LYS A 32 -9.709 1.502 4.537 1.00 40.21 N ATOM 548 CA LYS A 32 -9.679 1.397 6.014 1.00 31.33 C ATOM 549 C LYS A 32 -8.307 1.897 6.513 1.00 24.31 C ATOM 550 O LYS A 32 -7.296 1.220 6.343 1.00 24.12 O ATOM 551 CB LYS A 32 -9.934 -0.078 6.486 1.00 61.31 C ATOM 552 CG LYS A 32 -11.407 -0.468 6.801 1.00 63.31 C ATOM 553 CD LYS A 32 -12.373 -0.490 5.581 1.00 4.42 C ATOM 554 CE LYS A 32 -13.031 0.872 5.258 1.00 52.34 C ATOM 555 NZ LYS A 32 -13.773 1.428 6.423 1.00 15.55 N ATOM 0 H LYS A 32 -9.439 0.645 4.055 1.00 40.21 H new ATOM 0 HA LYS A 32 -10.475 2.011 6.435 1.00 31.33 H new ATOM 0 HB2 LYS A 32 -9.562 -0.751 5.714 1.00 61.31 H new ATOM 0 HB3 LYS A 32 -9.336 -0.257 7.380 1.00 61.31 H new ATOM 0 HG2 LYS A 32 -11.412 -1.455 7.263 1.00 63.31 H new ATOM 0 HG3 LYS A 32 -11.799 0.231 7.539 1.00 63.31 H new ATOM 0 HD2 LYS A 32 -11.822 -0.830 4.704 1.00 4.42 H new ATOM 0 HD3 LYS A 32 -13.158 -1.223 5.768 1.00 4.42 H new ATOM 0 HE2 LYS A 32 -12.263 1.580 4.947 1.00 52.34 H new ATOM 0 HE3 LYS A 32 -13.714 0.753 4.417 1.00 52.34 H new ATOM 0 HZ1 LYS A 32 -14.472 2.123 6.090 1.00 15.55 H new ATOM 0 HZ2 LYS A 32 -14.262 0.658 6.923 1.00 15.55 H new ATOM 0 HZ3 LYS A 32 -13.105 1.892 7.071 1.00 15.55 H new ATOM 569 N ARG A 33 -8.315 3.055 7.187 1.00 13.15 N ATOM 570 CA ARG A 33 -7.104 3.744 7.691 1.00 71.52 C ATOM 571 C ARG A 33 -7.436 4.486 9.008 1.00 1.43 C ATOM 572 O ARG A 33 -8.563 4.407 9.520 1.00 31.11 O ATOM 573 CB ARG A 33 -6.563 4.777 6.643 1.00 22.23 C ATOM 574 CG ARG A 33 -5.987 4.215 5.310 1.00 52.42 C ATOM 575 CD ARG A 33 -4.629 3.484 5.448 1.00 4.13 C ATOM 576 NE ARG A 33 -4.772 2.085 5.877 1.00 60.43 N ATOM 577 CZ ARG A 33 -3.976 1.431 6.691 1.00 74.50 C ATOM 578 NH1 ARG A 33 -2.970 2.008 7.270 1.00 13.11 N ATOM 579 NH2 ARG A 33 -4.232 0.197 6.947 1.00 35.13 N ATOM 0 H ARG A 33 -9.177 3.555 7.405 1.00 13.15 H new ATOM 0 HA ARG A 33 -6.336 2.991 7.867 1.00 71.52 H new ATOM 0 HB2 ARG A 33 -7.374 5.462 6.396 1.00 22.23 H new ATOM 0 HB3 ARG A 33 -5.783 5.367 7.124 1.00 22.23 H new ATOM 0 HG2 ARG A 33 -6.713 3.526 4.879 1.00 52.42 H new ATOM 0 HG3 ARG A 33 -5.871 5.038 4.605 1.00 52.42 H new ATOM 0 HD2 ARG A 33 -4.108 3.514 4.491 1.00 4.13 H new ATOM 0 HD3 ARG A 33 -4.007 4.017 6.167 1.00 4.13 H new ATOM 0 HE ARG A 33 -5.570 1.571 5.505 1.00 60.43 H new ATOM 0 HH11 ARG A 33 -2.780 2.995 7.098 1.00 13.11 H new ATOM 0 HH12 ARG A 33 -2.368 1.475 7.898 1.00 13.11 H new ATOM 0 HH21 ARG A 33 -5.041 -0.255 6.520 1.00 35.13 H new ATOM 0 HH22 ARG A 33 -3.626 -0.330 7.577 1.00 35.13 H new ATOM 593 N GLY A 34 -6.431 5.192 9.559 1.00 13.03 N ATOM 594 CA GLY A 34 -6.640 6.151 10.656 1.00 32.45 C ATOM 595 C GLY A 34 -6.297 7.597 10.259 1.00 34.41 C ATOM 596 O GLY A 34 -6.729 8.545 10.923 1.00 33.53 O ATOM 0 H GLY A 34 -5.459 5.114 9.258 1.00 13.03 H new ATOM 0 HA2 GLY A 34 -7.680 6.105 10.979 1.00 32.45 H new ATOM 0 HA3 GLY A 34 -6.028 5.859 11.509 1.00 32.45 H new ATOM 600 N ILE A 35 -5.514 7.762 9.162 1.00 54.41 N ATOM 601 CA ILE A 35 -4.958 9.076 8.722 1.00 54.11 C ATOM 602 C ILE A 35 -5.265 9.341 7.228 1.00 10.43 C ATOM 603 O ILE A 35 -5.061 8.463 6.390 1.00 65.25 O ATOM 604 CB ILE A 35 -3.397 9.111 8.971 1.00 32.40 C ATOM 605 CG1 ILE A 35 -3.111 8.861 10.483 1.00 0.31 C ATOM 606 CG2 ILE A 35 -2.742 10.442 8.498 1.00 44.42 C ATOM 607 CD1 ILE A 35 -1.658 8.776 10.864 1.00 32.11 C ATOM 0 H ILE A 35 -5.248 6.988 8.554 1.00 54.41 H new ATOM 0 HA ILE A 35 -5.434 9.861 9.309 1.00 54.11 H new ATOM 0 HB ILE A 35 -2.946 8.320 8.372 1.00 32.40 H new ATOM 0 HG12 ILE A 35 -3.573 9.663 11.059 1.00 0.31 H new ATOM 0 HG13 ILE A 35 -3.601 7.933 10.778 1.00 0.31 H new ATOM 0 HG21 ILE A 35 -1.670 10.410 8.694 1.00 44.42 H new ATOM 0 HG22 ILE A 35 -2.912 10.571 7.429 1.00 44.42 H new ATOM 0 HG23 ILE A 35 -3.185 11.278 9.040 1.00 44.42 H new ATOM 0 HD11 ILE A 35 -1.573 8.601 11.936 1.00 32.11 H new ATOM 0 HD12 ILE A 35 -1.188 7.955 10.323 1.00 32.11 H new ATOM 0 HD13 ILE A 35 -1.160 9.711 10.609 1.00 32.11 H new ATOM 619 N LEU A 36 -5.735 10.571 6.916 1.00 25.15 N ATOM 620 CA LEU A 36 -6.099 11.000 5.541 1.00 60.13 C ATOM 621 C LEU A 36 -4.882 11.022 4.587 1.00 42.43 C ATOM 622 O LEU A 36 -5.031 10.731 3.406 1.00 24.13 O ATOM 623 CB LEU A 36 -6.801 12.396 5.553 1.00 10.13 C ATOM 624 CG LEU A 36 -8.310 12.428 5.964 1.00 51.24 C ATOM 625 CD1 LEU A 36 -9.169 11.572 5.008 1.00 54.33 C ATOM 626 CD2 LEU A 36 -8.520 12.022 7.442 1.00 13.00 C ATOM 0 H LEU A 36 -5.874 11.301 7.615 1.00 25.15 H new ATOM 0 HA LEU A 36 -6.799 10.256 5.161 1.00 60.13 H new ATOM 0 HB2 LEU A 36 -6.251 13.046 6.233 1.00 10.13 H new ATOM 0 HB3 LEU A 36 -6.712 12.829 4.557 1.00 10.13 H new ATOM 0 HG LEU A 36 -8.646 13.461 5.873 1.00 51.24 H new ATOM 0 HD11 LEU A 36 -10.213 11.614 5.320 1.00 54.33 H new ATOM 0 HD12 LEU A 36 -9.078 11.958 3.993 1.00 54.33 H new ATOM 0 HD13 LEU A 36 -8.824 10.538 5.036 1.00 54.33 H new ATOM 0 HD21 LEU A 36 -9.583 12.059 7.682 1.00 13.00 H new ATOM 0 HD22 LEU A 36 -8.148 11.009 7.598 1.00 13.00 H new ATOM 0 HD23 LEU A 36 -7.978 12.711 8.089 1.00 13.00 H new ATOM 638 N GLU A 37 -3.691 11.361 5.104 1.00 33.41 N ATOM 639 CA GLU A 37 -2.442 11.361 4.296 1.00 23.24 C ATOM 640 C GLU A 37 -2.141 9.952 3.733 1.00 40.15 C ATOM 641 O GLU A 37 -1.829 9.788 2.545 1.00 73.24 O ATOM 642 CB GLU A 37 -1.248 11.867 5.147 1.00 61.32 C ATOM 643 CG GLU A 37 -1.424 13.284 5.730 1.00 22.41 C ATOM 644 CD GLU A 37 -1.580 14.377 4.659 1.00 54.04 C ATOM 645 OE1 GLU A 37 -0.554 14.865 4.135 1.00 21.25 O ATOM 646 OE2 GLU A 37 -2.730 14.753 4.337 1.00 4.52 O ATOM 0 H GLU A 37 -3.557 11.640 6.076 1.00 33.41 H new ATOM 0 HA GLU A 37 -2.586 12.038 3.454 1.00 23.24 H new ATOM 0 HB2 GLU A 37 -1.084 11.169 5.968 1.00 61.32 H new ATOM 0 HB3 GLU A 37 -0.349 11.852 4.531 1.00 61.32 H new ATOM 0 HG2 GLU A 37 -2.300 13.295 6.378 1.00 22.41 H new ATOM 0 HG3 GLU A 37 -0.563 13.520 6.355 1.00 22.41 H new ATOM 653 N THR A 38 -2.257 8.939 4.606 1.00 71.21 N ATOM 654 CA THR A 38 -2.077 7.525 4.220 1.00 0.43 C ATOM 655 C THR A 38 -3.282 6.995 3.403 1.00 2.02 C ATOM 656 O THR A 38 -3.128 6.133 2.534 1.00 11.02 O ATOM 657 CB THR A 38 -1.880 6.642 5.485 1.00 52.44 C ATOM 658 OG1 THR A 38 -0.963 7.297 6.374 1.00 71.40 O ATOM 659 CG2 THR A 38 -1.343 5.241 5.127 1.00 33.04 C ATOM 0 H THR A 38 -2.477 9.072 5.593 1.00 71.21 H new ATOM 0 HA THR A 38 -1.189 7.470 3.591 1.00 0.43 H new ATOM 0 HB THR A 38 -2.850 6.511 5.965 1.00 52.44 H new ATOM 0 HG1 THR A 38 -0.066 7.293 5.980 1.00 71.40 H new ATOM 0 HG21 THR A 38 -1.219 4.655 6.038 1.00 33.04 H new ATOM 0 HG22 THR A 38 -2.049 4.739 4.466 1.00 33.04 H new ATOM 0 HG23 THR A 38 -0.381 5.338 4.624 1.00 33.04 H new ATOM 667 N ASP A 39 -4.478 7.529 3.709 1.00 31.32 N ATOM 668 CA ASP A 39 -5.757 7.114 3.092 1.00 61.00 C ATOM 669 C ASP A 39 -5.792 7.451 1.580 1.00 5.33 C ATOM 670 O ASP A 39 -6.009 6.573 0.753 1.00 22.03 O ATOM 671 CB ASP A 39 -6.924 7.786 3.857 1.00 60.31 C ATOM 672 CG ASP A 39 -8.311 7.350 3.380 1.00 44.12 C ATOM 673 OD1 ASP A 39 -8.695 6.184 3.619 1.00 64.00 O ATOM 674 OD2 ASP A 39 -9.041 8.174 2.786 1.00 3.42 O ATOM 0 H ASP A 39 -4.588 8.271 4.400 1.00 31.32 H new ATOM 0 HA ASP A 39 -5.860 6.031 3.167 1.00 61.00 H new ATOM 0 HB2 ASP A 39 -6.828 7.559 4.919 1.00 60.31 H new ATOM 0 HB3 ASP A 39 -6.838 8.868 3.753 1.00 60.31 H new ATOM 679 N LEU A 40 -5.534 8.728 1.248 1.00 21.20 N ATOM 680 CA LEU A 40 -5.424 9.216 -0.153 1.00 20.21 C ATOM 681 C LEU A 40 -4.344 8.423 -0.949 1.00 35.54 C ATOM 682 O LEU A 40 -4.543 8.059 -2.116 1.00 1.31 O ATOM 683 CB LEU A 40 -5.071 10.735 -0.146 1.00 3.21 C ATOM 684 CG LEU A 40 -6.092 11.688 0.566 1.00 53.40 C ATOM 685 CD1 LEU A 40 -5.563 13.139 0.636 1.00 71.02 C ATOM 686 CD2 LEU A 40 -7.478 11.638 -0.104 1.00 62.21 C ATOM 0 H LEU A 40 -5.394 9.461 1.943 1.00 21.20 H new ATOM 0 HA LEU A 40 -6.383 9.060 -0.647 1.00 20.21 H new ATOM 0 HB2 LEU A 40 -4.100 10.857 0.333 1.00 3.21 H new ATOM 0 HB3 LEU A 40 -4.961 11.064 -1.179 1.00 3.21 H new ATOM 0 HG LEU A 40 -6.205 11.327 1.588 1.00 53.40 H new ATOM 0 HD11 LEU A 40 -6.298 13.770 1.136 1.00 71.02 H new ATOM 0 HD12 LEU A 40 -4.627 13.159 1.195 1.00 71.02 H new ATOM 0 HD13 LEU A 40 -5.391 13.513 -0.373 1.00 71.02 H new ATOM 0 HD21 LEU A 40 -8.159 12.311 0.417 1.00 62.21 H new ATOM 0 HD22 LEU A 40 -7.390 11.946 -1.146 1.00 62.21 H new ATOM 0 HD23 LEU A 40 -7.868 10.621 -0.058 1.00 62.21 H new ATOM 698 N LEU A 41 -3.216 8.147 -0.273 1.00 41.50 N ATOM 699 CA LEU A 41 -2.060 7.425 -0.852 1.00 1.33 C ATOM 700 C LEU A 41 -2.408 5.959 -1.244 1.00 61.10 C ATOM 701 O LEU A 41 -2.300 5.584 -2.413 1.00 70.20 O ATOM 702 CB LEU A 41 -0.882 7.459 0.159 1.00 33.11 C ATOM 703 CG LEU A 41 0.442 6.752 -0.278 1.00 52.15 C ATOM 704 CD1 LEU A 41 1.029 7.367 -1.570 1.00 21.21 C ATOM 705 CD2 LEU A 41 1.471 6.765 0.870 1.00 45.15 C ATOM 0 H LEU A 41 -3.075 8.419 0.700 1.00 41.50 H new ATOM 0 HA LEU A 41 -1.773 7.930 -1.775 1.00 1.33 H new ATOM 0 HB2 LEU A 41 -0.654 8.502 0.380 1.00 33.11 H new ATOM 0 HB3 LEU A 41 -1.220 7.003 1.090 1.00 33.11 H new ATOM 0 HG LEU A 41 0.200 5.714 -0.506 1.00 52.15 H new ATOM 0 HD11 LEU A 41 1.948 6.845 -1.836 1.00 21.21 H new ATOM 0 HD12 LEU A 41 0.307 7.268 -2.381 1.00 21.21 H new ATOM 0 HD13 LEU A 41 1.246 8.422 -1.405 1.00 21.21 H new ATOM 0 HD21 LEU A 41 2.385 6.268 0.545 1.00 45.15 H new ATOM 0 HD22 LEU A 41 1.696 7.795 1.145 1.00 45.15 H new ATOM 0 HD23 LEU A 41 1.060 6.241 1.733 1.00 45.15 H new ATOM 717 N LEU A 42 -2.851 5.156 -0.262 1.00 50.31 N ATOM 718 CA LEU A 42 -3.100 3.703 -0.450 1.00 0.03 C ATOM 719 C LEU A 42 -4.380 3.414 -1.257 1.00 2.45 C ATOM 720 O LEU A 42 -4.423 2.444 -1.995 1.00 62.35 O ATOM 721 CB LEU A 42 -3.156 2.977 0.919 1.00 23.34 C ATOM 722 CG LEU A 42 -1.803 2.906 1.701 1.00 63.30 C ATOM 723 CD1 LEU A 42 -1.967 2.171 3.047 1.00 74.22 C ATOM 724 CD2 LEU A 42 -0.694 2.252 0.838 1.00 73.43 C ATOM 0 H LEU A 42 -3.048 5.486 0.683 1.00 50.31 H new ATOM 0 HA LEU A 42 -2.262 3.318 -1.031 1.00 0.03 H new ATOM 0 HB2 LEU A 42 -3.892 3.479 1.547 1.00 23.34 H new ATOM 0 HB3 LEU A 42 -3.515 1.961 0.757 1.00 23.34 H new ATOM 0 HG LEU A 42 -1.496 3.929 1.922 1.00 63.30 H new ATOM 0 HD11 LEU A 42 -1.008 2.140 3.564 1.00 74.22 H new ATOM 0 HD12 LEU A 42 -2.695 2.699 3.664 1.00 74.22 H new ATOM 0 HD13 LEU A 42 -2.315 1.154 2.866 1.00 74.22 H new ATOM 0 HD21 LEU A 42 0.235 2.216 1.406 1.00 73.43 H new ATOM 0 HD22 LEU A 42 -0.993 1.240 0.567 1.00 73.43 H new ATOM 0 HD23 LEU A 42 -0.543 2.840 -0.067 1.00 73.43 H new ATOM 736 N SER A 43 -5.421 4.245 -1.093 1.00 72.42 N ATOM 737 CA SER A 43 -6.702 4.077 -1.838 1.00 13.32 C ATOM 738 C SER A 43 -6.508 4.281 -3.363 1.00 4.31 C ATOM 739 O SER A 43 -7.048 3.517 -4.176 1.00 4.34 O ATOM 740 CB SER A 43 -7.776 5.046 -1.299 1.00 61.24 C ATOM 741 OG SER A 43 -8.111 4.754 0.051 1.00 42.53 O ATOM 0 H SER A 43 -5.412 5.041 -0.456 1.00 72.42 H new ATOM 0 HA SER A 43 -7.041 3.053 -1.680 1.00 13.32 H new ATOM 0 HB2 SER A 43 -7.412 6.071 -1.371 1.00 61.24 H new ATOM 0 HB3 SER A 43 -8.670 4.981 -1.919 1.00 61.24 H new ATOM 0 HG SER A 43 -7.513 5.247 0.650 1.00 42.53 H new ATOM 747 N GLY A 44 -5.722 5.314 -3.731 1.00 22.24 N ATOM 748 CA GLY A 44 -5.349 5.563 -5.137 1.00 12.31 C ATOM 749 C GLY A 44 -4.388 4.497 -5.696 1.00 35.31 C ATOM 750 O GLY A 44 -4.508 4.077 -6.857 1.00 4.42 O ATOM 0 H GLY A 44 -5.334 5.989 -3.072 1.00 22.24 H new ATOM 0 HA2 GLY A 44 -6.251 5.589 -5.748 1.00 12.31 H new ATOM 0 HA3 GLY A 44 -4.882 6.545 -5.216 1.00 12.31 H new ATOM 754 N PHE A 45 -3.421 4.074 -4.851 1.00 33.44 N ATOM 755 CA PHE A 45 -2.465 2.982 -5.171 1.00 53.41 C ATOM 756 C PHE A 45 -3.218 1.658 -5.428 1.00 51.44 C ATOM 757 O PHE A 45 -2.863 0.897 -6.316 1.00 23.32 O ATOM 758 CB PHE A 45 -1.455 2.810 -3.997 1.00 71.41 C ATOM 759 CG PHE A 45 -0.307 1.818 -4.252 1.00 31.10 C ATOM 760 CD1 PHE A 45 -0.458 0.453 -4.002 1.00 11.45 C ATOM 761 CD2 PHE A 45 0.924 2.251 -4.734 1.00 64.23 C ATOM 762 CE1 PHE A 45 0.576 -0.439 -4.227 1.00 35.34 C ATOM 763 CE2 PHE A 45 1.955 1.355 -4.958 1.00 42.33 C ATOM 764 CZ PHE A 45 1.782 0.014 -4.706 1.00 3.21 C ATOM 0 H PHE A 45 -3.279 4.479 -3.926 1.00 33.44 H new ATOM 0 HA PHE A 45 -1.920 3.245 -6.078 1.00 53.41 H new ATOM 0 HB2 PHE A 45 -1.025 3.784 -3.765 1.00 71.41 H new ATOM 0 HB3 PHE A 45 -2.004 2.485 -3.113 1.00 71.41 H new ATOM 0 HD1 PHE A 45 -1.401 0.085 -3.625 1.00 11.45 H new ATOM 0 HD2 PHE A 45 1.077 3.301 -4.936 1.00 64.23 H new ATOM 0 HE1 PHE A 45 0.435 -1.491 -4.026 1.00 35.34 H new ATOM 0 HE2 PHE A 45 2.903 1.712 -5.334 1.00 42.33 H new ATOM 0 HZ PHE A 45 2.590 -0.680 -4.884 1.00 3.21 H new ATOM 774 N ALA A 46 -4.259 1.415 -4.631 1.00 61.15 N ATOM 775 CA ALA A 46 -5.076 0.196 -4.716 1.00 25.34 C ATOM 776 C ALA A 46 -5.919 0.151 -6.006 1.00 72.40 C ATOM 777 O ALA A 46 -6.072 -0.906 -6.632 1.00 75.41 O ATOM 778 CB ALA A 46 -5.963 0.078 -3.480 1.00 11.44 C ATOM 0 H ALA A 46 -4.564 2.060 -3.902 1.00 61.15 H new ATOM 0 HA ALA A 46 -4.400 -0.658 -4.753 1.00 25.34 H new ATOM 0 HB1 ALA A 46 -6.566 -0.828 -3.550 1.00 11.44 H new ATOM 0 HB2 ALA A 46 -5.339 0.031 -2.588 1.00 11.44 H new ATOM 0 HB3 ALA A 46 -6.619 0.946 -3.419 1.00 11.44 H new ATOM 784 N ALA A 47 -6.452 1.319 -6.391 1.00 63.23 N ATOM 785 CA ALA A 47 -7.238 1.481 -7.630 1.00 4.10 C ATOM 786 C ALA A 47 -6.385 1.208 -8.898 1.00 54.30 C ATOM 787 O ALA A 47 -6.855 0.596 -9.856 1.00 64.04 O ATOM 788 CB ALA A 47 -7.831 2.896 -7.673 1.00 52.03 C ATOM 0 H ALA A 47 -6.352 2.181 -5.854 1.00 63.23 H new ATOM 0 HA ALA A 47 -8.042 0.745 -7.624 1.00 4.10 H new ATOM 0 HB1 ALA A 47 -8.412 3.019 -8.587 1.00 52.03 H new ATOM 0 HB2 ALA A 47 -8.478 3.046 -6.809 1.00 52.03 H new ATOM 0 HB3 ALA A 47 -7.025 3.629 -7.654 1.00 52.03 H new ATOM 794 N LYS A 48 -5.122 1.654 -8.873 1.00 73.33 N ATOM 795 CA LYS A 48 -4.200 1.555 -10.027 1.00 64.23 C ATOM 796 C LYS A 48 -3.458 0.187 -10.086 1.00 23.45 C ATOM 797 O LYS A 48 -3.535 -0.539 -11.083 1.00 41.41 O ATOM 798 CB LYS A 48 -3.179 2.724 -9.942 1.00 54.20 C ATOM 799 CG LYS A 48 -2.047 2.691 -11.000 1.00 43.10 C ATOM 800 CD LYS A 48 -1.085 3.900 -10.894 1.00 1.33 C ATOM 801 CE LYS A 48 -1.761 5.235 -11.241 1.00 24.10 C ATOM 802 NZ LYS A 48 -2.270 5.252 -12.637 1.00 35.21 N ATOM 0 H LYS A 48 -4.704 2.095 -8.054 1.00 73.33 H new ATOM 0 HA LYS A 48 -4.787 1.623 -10.943 1.00 64.23 H new ATOM 0 HB2 LYS A 48 -3.720 3.665 -10.041 1.00 54.20 H new ATOM 0 HB3 LYS A 48 -2.727 2.719 -8.950 1.00 54.20 H new ATOM 0 HG2 LYS A 48 -1.477 1.769 -10.886 1.00 43.10 H new ATOM 0 HG3 LYS A 48 -2.489 2.671 -11.996 1.00 43.10 H new ATOM 0 HD2 LYS A 48 -0.687 3.953 -9.881 1.00 1.33 H new ATOM 0 HD3 LYS A 48 -0.238 3.743 -11.562 1.00 1.33 H new ATOM 0 HE2 LYS A 48 -2.586 5.414 -10.552 1.00 24.10 H new ATOM 0 HE3 LYS A 48 -1.049 6.049 -11.104 1.00 24.10 H new ATOM 0 HZ1 LYS A 48 -2.549 6.221 -12.893 1.00 35.21 H new ATOM 0 HZ2 LYS A 48 -1.523 4.924 -13.283 1.00 35.21 H new ATOM 0 HZ3 LYS A 48 -3.095 4.623 -12.714 1.00 35.21 H new ATOM 816 N TYR A 49 -2.762 -0.155 -8.996 1.00 35.12 N ATOM 817 CA TYR A 49 -1.777 -1.260 -8.967 1.00 64.02 C ATOM 818 C TYR A 49 -2.399 -2.662 -8.858 1.00 31.15 C ATOM 819 O TYR A 49 -1.828 -3.609 -9.375 1.00 43.45 O ATOM 820 CB TYR A 49 -0.754 -1.039 -7.832 1.00 52.34 C ATOM 821 CG TYR A 49 0.322 0.001 -8.167 1.00 71.43 C ATOM 822 CD1 TYR A 49 0.072 1.370 -8.067 1.00 12.42 C ATOM 823 CD2 TYR A 49 1.591 -0.398 -8.586 1.00 41.20 C ATOM 824 CE1 TYR A 49 1.051 2.298 -8.374 1.00 5.14 C ATOM 825 CE2 TYR A 49 2.564 0.528 -8.890 1.00 42.12 C ATOM 826 CZ TYR A 49 2.295 1.870 -8.781 1.00 61.15 C ATOM 827 OH TYR A 49 3.276 2.785 -9.093 1.00 44.34 O ATOM 0 H TYR A 49 -2.861 0.325 -8.101 1.00 35.12 H new ATOM 0 HA TYR A 49 -1.276 -1.233 -9.935 1.00 64.02 H new ATOM 0 HB2 TYR A 49 -1.284 -0.724 -6.933 1.00 52.34 H new ATOM 0 HB3 TYR A 49 -0.270 -1.988 -7.601 1.00 52.34 H new ATOM 0 HD1 TYR A 49 -0.901 1.711 -7.745 1.00 12.42 H new ATOM 0 HD2 TYR A 49 1.814 -1.451 -8.674 1.00 41.20 H new ATOM 0 HE1 TYR A 49 0.840 3.354 -8.295 1.00 5.14 H new ATOM 0 HE2 TYR A 49 3.540 0.198 -9.215 1.00 42.12 H new ATOM 0 HH TYR A 49 3.829 2.955 -8.302 1.00 44.34 H new ATOM 837 N LEU A 50 -3.548 -2.808 -8.186 1.00 40.41 N ATOM 838 CA LEU A 50 -4.223 -4.134 -8.077 1.00 70.22 C ATOM 839 C LEU A 50 -4.705 -4.668 -9.446 1.00 24.12 C ATOM 840 O LEU A 50 -4.972 -5.866 -9.594 1.00 52.11 O ATOM 841 CB LEU A 50 -5.368 -4.119 -7.034 1.00 74.31 C ATOM 842 CG LEU A 50 -4.917 -4.372 -5.561 1.00 44.42 C ATOM 843 CD1 LEU A 50 -4.065 -3.234 -4.997 1.00 43.33 C ATOM 844 CD2 LEU A 50 -6.103 -4.667 -4.653 1.00 43.44 C ATOM 0 H LEU A 50 -4.033 -2.046 -7.712 1.00 40.41 H new ATOM 0 HA LEU A 50 -3.467 -4.832 -7.717 1.00 70.22 H new ATOM 0 HB2 LEU A 50 -5.873 -3.154 -7.084 1.00 74.31 H new ATOM 0 HB3 LEU A 50 -6.101 -4.877 -7.310 1.00 74.31 H new ATOM 0 HG LEU A 50 -4.282 -5.258 -5.588 1.00 44.42 H new ATOM 0 HD11 LEU A 50 -3.781 -3.466 -3.970 1.00 43.33 H new ATOM 0 HD12 LEU A 50 -3.167 -3.116 -5.604 1.00 43.33 H new ATOM 0 HD13 LEU A 50 -4.638 -2.307 -5.014 1.00 43.33 H new ATOM 0 HD21 LEU A 50 -5.749 -4.838 -3.636 1.00 43.44 H new ATOM 0 HD22 LEU A 50 -6.788 -3.819 -4.661 1.00 43.44 H new ATOM 0 HD23 LEU A 50 -6.623 -5.556 -5.010 1.00 43.44 H new ATOM 856 N LYS A 51 -4.844 -3.764 -10.427 1.00 4.22 N ATOM 857 CA LYS A 51 -5.146 -4.134 -11.820 1.00 70.41 C ATOM 858 C LYS A 51 -3.929 -4.803 -12.524 1.00 61.32 C ATOM 859 O LYS A 51 -4.111 -5.722 -13.330 1.00 60.33 O ATOM 860 CB LYS A 51 -5.638 -2.890 -12.605 1.00 63.23 C ATOM 861 CG LYS A 51 -6.994 -2.342 -12.103 1.00 31.10 C ATOM 862 CD LYS A 51 -7.527 -1.164 -12.950 1.00 33.24 C ATOM 863 CE LYS A 51 -8.952 -0.745 -12.536 1.00 64.24 C ATOM 864 NZ LYS A 51 -9.020 -0.217 -11.153 1.00 2.35 N ATOM 0 H LYS A 51 -4.751 -2.759 -10.279 1.00 4.22 H new ATOM 0 HA LYS A 51 -5.944 -4.877 -11.805 1.00 70.41 H new ATOM 0 HB2 LYS A 51 -4.887 -2.103 -12.531 1.00 63.23 H new ATOM 0 HB3 LYS A 51 -5.727 -3.148 -13.660 1.00 63.23 H new ATOM 0 HG2 LYS A 51 -7.729 -3.147 -12.110 1.00 31.10 H new ATOM 0 HG3 LYS A 51 -6.886 -2.017 -11.068 1.00 31.10 H new ATOM 0 HD2 LYS A 51 -6.855 -0.312 -12.847 1.00 33.24 H new ATOM 0 HD3 LYS A 51 -7.525 -1.446 -14.003 1.00 33.24 H new ATOM 0 HE2 LYS A 51 -9.317 0.014 -13.228 1.00 64.24 H new ATOM 0 HE3 LYS A 51 -9.618 -1.604 -12.625 1.00 64.24 H new ATOM 0 HZ1 LYS A 51 -9.385 -0.955 -10.517 1.00 2.35 H new ATOM 0 HZ2 LYS A 51 -8.069 0.068 -10.843 1.00 2.35 H new ATOM 0 HZ3 LYS A 51 -9.654 0.607 -11.127 1.00 2.35 H new ATOM 878 N LYS A 52 -2.695 -4.332 -12.228 1.00 2.40 N ATOM 879 CA LYS A 52 -1.451 -4.912 -12.813 1.00 13.52 C ATOM 880 C LYS A 52 -0.817 -6.033 -11.939 1.00 64.52 C ATOM 881 O LYS A 52 -0.097 -6.888 -12.465 1.00 11.44 O ATOM 882 CB LYS A 52 -0.411 -3.793 -13.094 1.00 5.34 C ATOM 883 CG LYS A 52 0.071 -3.008 -11.853 1.00 3.24 C ATOM 884 CD LYS A 52 0.991 -1.821 -12.217 1.00 53.53 C ATOM 885 CE LYS A 52 2.363 -2.261 -12.776 1.00 34.12 C ATOM 886 NZ LYS A 52 3.153 -3.052 -11.790 1.00 21.25 N ATOM 0 H LYS A 52 -2.529 -3.554 -11.590 1.00 2.40 H new ATOM 0 HA LYS A 52 -1.746 -5.384 -13.750 1.00 13.52 H new ATOM 0 HB2 LYS A 52 0.456 -4.240 -13.579 1.00 5.34 H new ATOM 0 HB3 LYS A 52 -0.844 -3.088 -13.803 1.00 5.34 H new ATOM 0 HG2 LYS A 52 -0.795 -2.636 -11.305 1.00 3.24 H new ATOM 0 HG3 LYS A 52 0.605 -3.684 -11.185 1.00 3.24 H new ATOM 0 HD2 LYS A 52 0.490 -1.195 -12.955 1.00 53.53 H new ATOM 0 HD3 LYS A 52 1.148 -1.206 -11.331 1.00 53.53 H new ATOM 0 HE2 LYS A 52 2.211 -2.856 -13.676 1.00 34.12 H new ATOM 0 HE3 LYS A 52 2.932 -1.379 -13.069 1.00 34.12 H new ATOM 0 HZ1 LYS A 52 4.118 -3.193 -12.151 1.00 21.25 H new ATOM 0 HZ2 LYS A 52 3.193 -2.539 -10.886 1.00 21.25 H new ATOM 0 HZ3 LYS A 52 2.700 -3.977 -11.644 1.00 21.25 H new ATOM 900 N MET A 53 -1.075 -6.029 -10.616 1.00 33.35 N ATOM 901 CA MET A 53 -0.378 -6.939 -9.662 1.00 72.23 C ATOM 902 C MET A 53 -1.026 -8.342 -9.572 1.00 60.34 C ATOM 903 O MET A 53 -2.252 -8.485 -9.587 1.00 73.14 O ATOM 904 CB MET A 53 -0.271 -6.315 -8.236 1.00 41.22 C ATOM 905 CG MET A 53 0.730 -5.152 -8.123 1.00 1.25 C ATOM 906 SD MET A 53 1.114 -4.677 -6.417 1.00 20.10 S ATOM 907 CE MET A 53 -0.476 -4.161 -5.783 1.00 73.22 C ATOM 0 H MET A 53 -1.757 -5.411 -10.177 1.00 33.35 H new ATOM 0 HA MET A 53 0.625 -7.066 -10.070 1.00 72.23 H new ATOM 0 HB2 MET A 53 -1.256 -5.961 -7.933 1.00 41.22 H new ATOM 0 HB3 MET A 53 0.017 -7.096 -7.532 1.00 41.22 H new ATOM 0 HG2 MET A 53 1.654 -5.431 -8.629 1.00 1.25 H new ATOM 0 HG3 MET A 53 0.327 -4.286 -8.649 1.00 1.25 H new ATOM 0 HE1 MET A 53 -0.382 -3.177 -5.323 1.00 73.22 H new ATOM 0 HE2 MET A 53 -1.195 -4.112 -6.601 1.00 73.22 H new ATOM 0 HE3 MET A 53 -0.821 -4.878 -5.039 1.00 73.22 H new ATOM 917 N ASN A 54 -0.154 -9.365 -9.467 1.00 5.44 N ATOM 918 CA ASN A 54 -0.539 -10.766 -9.188 1.00 74.32 C ATOM 919 C ASN A 54 -0.624 -10.980 -7.653 1.00 51.34 C ATOM 920 O ASN A 54 -0.135 -10.142 -6.888 1.00 73.45 O ATOM 921 CB ASN A 54 0.503 -11.726 -9.830 1.00 1.23 C ATOM 922 CG ASN A 54 0.136 -13.213 -9.733 1.00 20.41 C ATOM 923 OD1 ASN A 54 -1.036 -13.579 -9.763 1.00 53.50 O ATOM 924 ND2 ASN A 54 1.126 -14.071 -9.590 1.00 53.21 N ATOM 0 H ASN A 54 0.853 -9.241 -9.575 1.00 5.44 H new ATOM 0 HA ASN A 54 -1.516 -10.980 -9.621 1.00 74.32 H new ATOM 0 HB2 ASN A 54 0.624 -11.462 -10.880 1.00 1.23 H new ATOM 0 HB3 ASN A 54 1.468 -11.570 -9.349 1.00 1.23 H new ATOM 0 HD21 ASN A 54 0.928 -15.068 -9.501 1.00 53.21 H new ATOM 0 HD22 ASN A 54 2.090 -13.738 -9.569 1.00 53.21 H new ATOM 931 N GLU A 55 -1.215 -12.115 -7.216 1.00 70.33 N ATOM 932 CA GLU A 55 -1.459 -12.410 -5.785 1.00 21.22 C ATOM 933 C GLU A 55 -0.159 -12.343 -4.928 1.00 53.32 C ATOM 934 O GLU A 55 -0.206 -11.961 -3.761 1.00 1.44 O ATOM 935 CB GLU A 55 -2.146 -13.793 -5.623 1.00 53.45 C ATOM 936 CG GLU A 55 -2.548 -14.118 -4.171 1.00 1.44 C ATOM 937 CD GLU A 55 -3.238 -15.476 -3.976 1.00 43.40 C ATOM 938 OE1 GLU A 55 -2.821 -16.463 -4.615 1.00 13.14 O ATOM 939 OE2 GLU A 55 -4.185 -15.567 -3.161 1.00 72.40 O ATOM 0 H GLU A 55 -1.536 -12.852 -7.844 1.00 70.33 H new ATOM 0 HA GLU A 55 -2.126 -11.633 -5.411 1.00 21.22 H new ATOM 0 HB2 GLU A 55 -3.035 -13.823 -6.252 1.00 53.45 H new ATOM 0 HB3 GLU A 55 -1.472 -14.569 -5.986 1.00 53.45 H new ATOM 0 HG2 GLU A 55 -1.654 -14.089 -3.548 1.00 1.44 H new ATOM 0 HG3 GLU A 55 -3.214 -13.334 -3.810 1.00 1.44 H new ATOM 946 N GLU A 56 0.988 -12.696 -5.539 1.00 50.01 N ATOM 947 CA GLU A 56 2.331 -12.569 -4.909 1.00 23.42 C ATOM 948 C GLU A 56 2.592 -11.125 -4.366 1.00 64.35 C ATOM 949 O GLU A 56 3.027 -10.943 -3.221 1.00 3.33 O ATOM 950 CB GLU A 56 3.425 -12.986 -5.941 1.00 45.31 C ATOM 951 CG GLU A 56 3.361 -12.232 -7.293 1.00 73.05 C ATOM 952 CD GLU A 56 4.443 -12.667 -8.293 1.00 23.24 C ATOM 953 OE1 GLU A 56 5.588 -12.176 -8.193 1.00 43.21 O ATOM 954 OE2 GLU A 56 4.160 -13.512 -9.173 1.00 62.54 O ATOM 0 H GLU A 56 1.018 -13.078 -6.484 1.00 50.01 H new ATOM 0 HA GLU A 56 2.371 -13.235 -4.047 1.00 23.42 H new ATOM 0 HB2 GLU A 56 4.406 -12.823 -5.496 1.00 45.31 H new ATOM 0 HB3 GLU A 56 3.336 -14.055 -6.132 1.00 45.31 H new ATOM 0 HG2 GLU A 56 2.380 -12.390 -7.741 1.00 73.05 H new ATOM 0 HG3 GLU A 56 3.459 -11.162 -7.108 1.00 73.05 H new ATOM 961 N GLU A 57 2.300 -10.118 -5.206 1.00 12.20 N ATOM 962 CA GLU A 57 2.451 -8.683 -4.872 1.00 51.24 C ATOM 963 C GLU A 57 1.278 -8.186 -3.978 1.00 53.31 C ATOM 964 O GLU A 57 1.462 -7.317 -3.125 1.00 35.35 O ATOM 965 CB GLU A 57 2.515 -7.879 -6.199 1.00 4.44 C ATOM 966 CG GLU A 57 3.636 -8.324 -7.167 1.00 40.11 C ATOM 967 CD GLU A 57 3.502 -7.717 -8.581 1.00 71.42 C ATOM 968 OE1 GLU A 57 2.816 -8.324 -9.436 1.00 31.12 O ATOM 969 OE2 GLU A 57 4.068 -6.627 -8.840 1.00 34.12 O ATOM 0 H GLU A 57 1.947 -10.275 -6.150 1.00 12.20 H new ATOM 0 HA GLU A 57 3.368 -8.535 -4.302 1.00 51.24 H new ATOM 0 HB2 GLU A 57 1.556 -7.968 -6.709 1.00 4.44 H new ATOM 0 HB3 GLU A 57 2.654 -6.824 -5.963 1.00 4.44 H new ATOM 0 HG2 GLU A 57 4.601 -8.041 -6.748 1.00 40.11 H new ATOM 0 HG3 GLU A 57 3.629 -9.411 -7.244 1.00 40.11 H new ATOM 976 N LEU A 58 0.070 -8.746 -4.215 1.00 52.44 N ATOM 977 CA LEU A 58 -1.162 -8.453 -3.423 1.00 10.51 C ATOM 978 C LEU A 58 -1.043 -8.836 -1.919 1.00 62.41 C ATOM 979 O LEU A 58 -1.546 -8.115 -1.058 1.00 54.42 O ATOM 980 CB LEU A 58 -2.402 -9.178 -4.033 1.00 74.55 C ATOM 981 CG LEU A 58 -2.800 -8.796 -5.496 1.00 31.24 C ATOM 982 CD1 LEU A 58 -4.171 -9.397 -5.884 1.00 21.34 C ATOM 983 CD2 LEU A 58 -2.777 -7.276 -5.707 1.00 54.41 C ATOM 0 H LEU A 58 -0.086 -9.420 -4.965 1.00 52.44 H new ATOM 0 HA LEU A 58 -1.289 -7.372 -3.477 1.00 10.51 H new ATOM 0 HB2 LEU A 58 -2.216 -10.252 -4.002 1.00 74.55 H new ATOM 0 HB3 LEU A 58 -3.259 -8.985 -3.388 1.00 74.55 H new ATOM 0 HG LEU A 58 -2.052 -9.229 -6.160 1.00 31.24 H new ATOM 0 HD11 LEU A 58 -4.417 -9.112 -6.907 1.00 21.34 H new ATOM 0 HD12 LEU A 58 -4.126 -10.484 -5.811 1.00 21.34 H new ATOM 0 HD13 LEU A 58 -4.938 -9.020 -5.208 1.00 21.34 H new ATOM 0 HD21 LEU A 58 -3.059 -7.047 -6.735 1.00 54.41 H new ATOM 0 HD22 LEU A 58 -3.482 -6.803 -5.023 1.00 54.41 H new ATOM 0 HD23 LEU A 58 -1.774 -6.897 -5.513 1.00 54.41 H new ATOM 995 N GLU A 59 -0.415 -9.987 -1.613 1.00 1.53 N ATOM 996 CA GLU A 59 -0.249 -10.464 -0.211 1.00 43.34 C ATOM 997 C GLU A 59 0.850 -9.662 0.524 1.00 15.11 C ATOM 998 O GLU A 59 0.789 -9.475 1.749 1.00 21.12 O ATOM 999 CB GLU A 59 0.055 -11.984 -0.192 1.00 11.41 C ATOM 1000 CG GLU A 59 -1.064 -12.854 -0.814 1.00 74.42 C ATOM 1001 CD GLU A 59 -0.837 -14.378 -0.722 1.00 20.22 C ATOM 1002 OE1 GLU A 59 0.324 -14.837 -0.780 1.00 31.43 O ATOM 1003 OE2 GLU A 59 -1.833 -15.130 -0.619 1.00 11.35 O ATOM 0 H GLU A 59 -0.011 -10.610 -2.312 1.00 1.53 H new ATOM 0 HA GLU A 59 -1.185 -10.297 0.322 1.00 43.34 H new ATOM 0 HB2 GLU A 59 0.985 -12.166 -0.731 1.00 11.41 H new ATOM 0 HB3 GLU A 59 0.217 -12.300 0.839 1.00 11.41 H new ATOM 0 HG2 GLU A 59 -2.006 -12.612 -0.322 1.00 74.42 H new ATOM 0 HG3 GLU A 59 -1.173 -12.581 -1.864 1.00 74.42 H new ATOM 1010 N GLU A 60 1.846 -9.182 -0.243 1.00 15.13 N ATOM 1011 CA GLU A 60 2.848 -8.218 0.259 1.00 20.33 C ATOM 1012 C GLU A 60 2.166 -6.849 0.523 1.00 44.12 C ATOM 1013 O GLU A 60 2.511 -6.131 1.470 1.00 0.43 O ATOM 1014 CB GLU A 60 4.010 -8.061 -0.763 1.00 2.15 C ATOM 1015 CG GLU A 60 5.164 -7.140 -0.296 1.00 33.10 C ATOM 1016 CD GLU A 60 6.294 -6.937 -1.329 1.00 72.52 C ATOM 1017 OE1 GLU A 60 6.045 -7.078 -2.547 1.00 13.44 O ATOM 1018 OE2 GLU A 60 7.432 -6.600 -0.929 1.00 12.24 O ATOM 0 H GLU A 60 1.980 -9.447 -1.219 1.00 15.13 H new ATOM 0 HA GLU A 60 3.266 -8.592 1.193 1.00 20.33 H new ATOM 0 HB2 GLU A 60 4.418 -9.048 -0.983 1.00 2.15 H new ATOM 0 HB3 GLU A 60 3.605 -7.668 -1.695 1.00 2.15 H new ATOM 0 HG2 GLU A 60 4.749 -6.166 -0.037 1.00 33.10 H new ATOM 0 HG3 GLU A 60 5.595 -7.556 0.615 1.00 33.10 H new ATOM 1025 N TYR A 61 1.181 -6.505 -0.334 1.00 65.41 N ATOM 1026 CA TYR A 61 0.374 -5.280 -0.186 1.00 1.23 C ATOM 1027 C TYR A 61 -0.545 -5.352 1.052 1.00 32.34 C ATOM 1028 O TYR A 61 -0.761 -4.342 1.713 1.00 32.52 O ATOM 1029 CB TYR A 61 -0.452 -5.000 -1.465 1.00 52.00 C ATOM 1030 CG TYR A 61 -1.183 -3.655 -1.431 1.00 12.31 C ATOM 1031 CD1 TYR A 61 -0.467 -2.473 -1.231 1.00 2.43 C ATOM 1032 CD2 TYR A 61 -2.570 -3.560 -1.574 1.00 12.11 C ATOM 1033 CE1 TYR A 61 -1.098 -1.256 -1.180 1.00 24.12 C ATOM 1034 CE2 TYR A 61 -3.208 -2.334 -1.530 1.00 0.11 C ATOM 1035 CZ TYR A 61 -2.462 -1.183 -1.335 1.00 72.31 C ATOM 1036 OH TYR A 61 -3.071 0.050 -1.305 1.00 62.34 O ATOM 0 H TYR A 61 0.925 -7.068 -1.145 1.00 65.41 H new ATOM 0 HA TYR A 61 1.066 -4.451 -0.038 1.00 1.23 H new ATOM 0 HB2 TYR A 61 0.211 -5.024 -2.330 1.00 52.00 H new ATOM 0 HB3 TYR A 61 -1.181 -5.799 -1.600 1.00 52.00 H new ATOM 0 HD1 TYR A 61 0.606 -2.518 -1.114 1.00 2.43 H new ATOM 0 HD2 TYR A 61 -3.152 -4.458 -1.721 1.00 12.11 H new ATOM 0 HE1 TYR A 61 -0.524 -0.356 -1.018 1.00 24.12 H new ATOM 0 HE2 TYR A 61 -4.280 -2.274 -1.647 1.00 0.11 H new ATOM 0 HH TYR A 61 -3.968 -0.037 -0.919 1.00 62.34 H new ATOM 1046 N ASP A 62 -1.082 -6.550 1.352 1.00 62.21 N ATOM 1047 CA ASP A 62 -1.866 -6.792 2.587 1.00 21.54 C ATOM 1048 C ASP A 62 -0.982 -6.553 3.837 1.00 54.50 C ATOM 1049 O ASP A 62 -1.443 -6.011 4.847 1.00 32.31 O ATOM 1050 CB ASP A 62 -2.444 -8.230 2.585 1.00 1.55 C ATOM 1051 CG ASP A 62 -3.347 -8.516 3.803 1.00 61.13 C ATOM 1052 OD1 ASP A 62 -4.532 -8.111 3.787 1.00 62.13 O ATOM 1053 OD2 ASP A 62 -2.873 -9.141 4.783 1.00 34.44 O ATOM 0 H ASP A 62 -0.989 -7.372 0.755 1.00 62.21 H new ATOM 0 HA ASP A 62 -2.700 -6.091 2.619 1.00 21.54 H new ATOM 0 HB2 ASP A 62 -3.016 -8.385 1.670 1.00 1.55 H new ATOM 0 HB3 ASP A 62 -1.623 -8.946 2.572 1.00 1.55 H new ATOM 1058 N SER A 63 0.296 -6.959 3.734 1.00 51.20 N ATOM 1059 CA SER A 63 1.331 -6.689 4.763 1.00 55.41 C ATOM 1060 C SER A 63 1.630 -5.172 4.907 1.00 4.41 C ATOM 1061 O SER A 63 2.006 -4.719 5.989 1.00 71.44 O ATOM 1062 CB SER A 63 2.624 -7.463 4.419 1.00 10.32 C ATOM 1063 OG SER A 63 2.398 -8.865 4.389 1.00 4.24 O ATOM 0 H SER A 63 0.647 -7.486 2.934 1.00 51.20 H new ATOM 0 HA SER A 63 0.944 -7.032 5.723 1.00 55.41 H new ATOM 0 HB2 SER A 63 3.000 -7.133 3.451 1.00 10.32 H new ATOM 0 HB3 SER A 63 3.394 -7.233 5.155 1.00 10.32 H new ATOM 0 HG SER A 63 1.910 -9.100 3.572 1.00 4.24 H new ATOM 1069 N LEU A 64 1.478 -4.399 3.806 1.00 22.20 N ATOM 1070 CA LEU A 64 1.625 -2.919 3.820 1.00 33.21 C ATOM 1071 C LEU A 64 0.386 -2.236 4.464 1.00 12.25 C ATOM 1072 O LEU A 64 0.514 -1.235 5.171 1.00 24.34 O ATOM 1073 CB LEU A 64 1.847 -2.391 2.375 1.00 63.03 C ATOM 1074 CG LEU A 64 2.148 -0.862 2.232 1.00 63.30 C ATOM 1075 CD1 LEU A 64 3.454 -0.466 2.962 1.00 5.32 C ATOM 1076 CD2 LEU A 64 2.177 -0.428 0.744 1.00 1.31 C ATOM 0 H LEU A 64 1.251 -4.778 2.887 1.00 22.20 H new ATOM 0 HA LEU A 64 2.496 -2.669 4.427 1.00 33.21 H new ATOM 0 HB2 LEU A 64 2.675 -2.945 1.932 1.00 63.03 H new ATOM 0 HB3 LEU A 64 0.959 -2.621 1.787 1.00 63.03 H new ATOM 0 HG LEU A 64 1.332 -0.325 2.715 1.00 63.30 H new ATOM 0 HD11 LEU A 64 3.629 0.603 2.840 1.00 5.32 H new ATOM 0 HD12 LEU A 64 3.363 -0.700 4.023 1.00 5.32 H new ATOM 0 HD13 LEU A 64 4.291 -1.021 2.538 1.00 5.32 H new ATOM 0 HD21 LEU A 64 2.389 0.639 0.680 1.00 1.31 H new ATOM 0 HD22 LEU A 64 2.953 -0.984 0.218 1.00 1.31 H new ATOM 0 HD23 LEU A 64 1.210 -0.634 0.286 1.00 1.31 H new ATOM 1088 N LEU A 65 -0.813 -2.792 4.203 1.00 4.14 N ATOM 1089 CA LEU A 65 -2.083 -2.348 4.848 1.00 3.44 C ATOM 1090 C LEU A 65 -2.072 -2.701 6.355 1.00 74.05 C ATOM 1091 O LEU A 65 -2.705 -2.041 7.181 1.00 10.43 O ATOM 1092 CB LEU A 65 -3.295 -3.020 4.139 1.00 11.22 C ATOM 1093 CG LEU A 65 -3.386 -2.790 2.598 1.00 14.14 C ATOM 1094 CD1 LEU A 65 -4.554 -3.569 1.963 1.00 1.04 C ATOM 1095 CD2 LEU A 65 -3.459 -1.292 2.257 1.00 10.30 C ATOM 0 H LEU A 65 -0.938 -3.559 3.543 1.00 4.14 H new ATOM 0 HA LEU A 65 -2.173 -1.266 4.751 1.00 3.44 H new ATOM 0 HB2 LEU A 65 -3.254 -4.093 4.326 1.00 11.22 H new ATOM 0 HB3 LEU A 65 -4.212 -2.651 4.598 1.00 11.22 H new ATOM 0 HG LEU A 65 -2.468 -3.185 2.163 1.00 14.14 H new ATOM 0 HD11 LEU A 65 -4.578 -3.378 0.890 1.00 1.04 H new ATOM 0 HD12 LEU A 65 -4.418 -4.636 2.139 1.00 1.04 H new ATOM 0 HD13 LEU A 65 -5.494 -3.244 2.410 1.00 1.04 H new ATOM 0 HD21 LEU A 65 -3.521 -1.168 1.176 1.00 10.30 H new ATOM 0 HD22 LEU A 65 -4.342 -0.855 2.724 1.00 10.30 H new ATOM 0 HD23 LEU A 65 -2.566 -0.790 2.629 1.00 10.30 H new ATOM 1107 N ASN A 66 -1.333 -3.768 6.680 1.00 30.13 N ATOM 1108 CA ASN A 66 -1.071 -4.226 8.058 1.00 52.22 C ATOM 1109 C ASN A 66 -0.154 -3.229 8.843 1.00 50.44 C ATOM 1110 O ASN A 66 -0.165 -3.218 10.082 1.00 72.24 O ATOM 1111 CB ASN A 66 -0.458 -5.655 7.959 1.00 32.51 C ATOM 1112 CG ASN A 66 0.181 -6.199 9.234 1.00 61.12 C ATOM 1113 OD1 ASN A 66 -0.475 -6.800 10.070 1.00 33.04 O ATOM 1114 ND2 ASN A 66 1.478 -6.010 9.374 1.00 3.14 N ATOM 0 H ASN A 66 -0.887 -4.356 5.976 1.00 30.13 H new ATOM 0 HA ASN A 66 -1.997 -4.261 8.631 1.00 52.22 H new ATOM 0 HB2 ASN A 66 -1.242 -6.344 7.647 1.00 32.51 H new ATOM 0 HB3 ASN A 66 0.296 -5.652 7.171 1.00 32.51 H new ATOM 0 HD21 ASN A 66 1.960 -6.370 10.198 1.00 3.14 H new ATOM 0 HD22 ASN A 66 2.000 -5.504 8.659 1.00 3.14 H new ATOM 1121 N GLU A 67 0.598 -2.366 8.118 1.00 22.41 N ATOM 1122 CA GLU A 67 1.582 -1.426 8.733 1.00 33.11 C ATOM 1123 C GLU A 67 0.938 -0.152 9.330 1.00 52.43 C ATOM 1124 O GLU A 67 -0.257 0.120 9.156 1.00 32.23 O ATOM 1125 CB GLU A 67 2.683 -1.020 7.706 1.00 73.43 C ATOM 1126 CG GLU A 67 3.532 -2.184 7.179 1.00 21.12 C ATOM 1127 CD GLU A 67 4.205 -3.007 8.294 1.00 65.03 C ATOM 1128 OE1 GLU A 67 5.285 -2.602 8.784 1.00 75.43 O ATOM 1129 OE2 GLU A 67 3.651 -4.058 8.693 1.00 64.25 O ATOM 0 H GLU A 67 0.545 -2.297 7.102 1.00 22.41 H new ATOM 0 HA GLU A 67 2.029 -1.976 9.561 1.00 33.11 H new ATOM 0 HB2 GLU A 67 2.206 -0.525 6.860 1.00 73.43 H new ATOM 0 HB3 GLU A 67 3.343 -0.289 8.173 1.00 73.43 H new ATOM 0 HG2 GLU A 67 2.901 -2.843 6.582 1.00 21.12 H new ATOM 0 HG3 GLU A 67 4.301 -1.791 6.514 1.00 21.12 H new ATOM 1136 N LEU A 68 1.791 0.626 10.020 1.00 54.34 N ATOM 1137 CA LEU A 68 1.410 1.872 10.716 1.00 23.33 C ATOM 1138 C LEU A 68 1.296 3.059 9.726 1.00 34.15 C ATOM 1139 O LEU A 68 2.247 3.342 8.993 1.00 32.13 O ATOM 1140 CB LEU A 68 2.464 2.150 11.817 1.00 24.43 C ATOM 1141 CG LEU A 68 2.553 1.060 12.936 1.00 13.02 C ATOM 1142 CD1 LEU A 68 3.749 1.297 13.884 1.00 42.11 C ATOM 1143 CD2 LEU A 68 1.223 0.979 13.717 1.00 74.31 C ATOM 0 H LEU A 68 2.782 0.404 10.112 1.00 54.34 H new ATOM 0 HA LEU A 68 0.426 1.756 11.170 1.00 23.33 H new ATOM 0 HB2 LEU A 68 3.442 2.247 11.346 1.00 24.43 H new ATOM 0 HB3 LEU A 68 2.237 3.109 12.282 1.00 24.43 H new ATOM 0 HG LEU A 68 2.726 0.100 12.449 1.00 13.02 H new ATOM 0 HD11 LEU A 68 3.771 0.516 14.644 1.00 42.11 H new ATOM 0 HD12 LEU A 68 4.677 1.273 13.312 1.00 42.11 H new ATOM 0 HD13 LEU A 68 3.645 2.269 14.365 1.00 42.11 H new ATOM 0 HD21 LEU A 68 1.302 0.216 14.492 1.00 74.31 H new ATOM 0 HD22 LEU A 68 1.013 1.944 14.178 1.00 74.31 H new ATOM 0 HD23 LEU A 68 0.415 0.720 13.033 1.00 74.31 H new ATOM 1155 N ASP A 69 0.128 3.738 9.748 1.00 2.54 N ATOM 1156 CA ASP A 69 -0.267 4.796 8.775 1.00 63.23 C ATOM 1157 C ASP A 69 0.848 5.827 8.432 1.00 45.13 C ATOM 1158 O ASP A 69 1.308 5.859 7.280 1.00 60.53 O ATOM 1159 CB ASP A 69 -1.513 5.540 9.292 1.00 60.15 C ATOM 1160 CG ASP A 69 -2.775 4.676 9.295 1.00 23.20 C ATOM 1161 OD1 ASP A 69 -2.938 3.852 10.216 1.00 62.34 O ATOM 1162 OD2 ASP A 69 -3.605 4.811 8.376 1.00 54.24 O ATOM 0 H ASP A 69 -0.586 3.567 10.456 1.00 2.54 H new ATOM 0 HA ASP A 69 -0.476 4.268 7.844 1.00 63.23 H new ATOM 0 HB2 ASP A 69 -1.322 5.895 10.305 1.00 60.15 H new ATOM 0 HB3 ASP A 69 -1.685 6.420 8.673 1.00 60.15 H new ATOM 1167 N TRP A 70 1.268 6.666 9.416 1.00 14.35 N ATOM 1168 CA TRP A 70 2.294 7.730 9.178 1.00 50.03 C ATOM 1169 C TRP A 70 3.576 7.152 8.555 1.00 14.11 C ATOM 1170 O TRP A 70 4.146 7.740 7.632 1.00 73.13 O ATOM 1171 CB TRP A 70 2.670 8.507 10.485 1.00 63.33 C ATOM 1172 CG TRP A 70 1.836 9.741 10.781 1.00 52.03 C ATOM 1173 CD1 TRP A 70 1.231 10.066 11.967 1.00 13.35 C ATOM 1174 CD2 TRP A 70 1.552 10.838 9.881 1.00 14.22 C ATOM 1175 NE1 TRP A 70 0.567 11.260 11.850 1.00 53.22 N ATOM 1176 CE2 TRP A 70 0.757 11.756 10.589 1.00 10.14 C ATOM 1177 CE3 TRP A 70 1.881 11.129 8.544 1.00 64.15 C ATOM 1178 CZ2 TRP A 70 0.294 12.936 10.020 1.00 61.25 C ATOM 1179 CZ3 TRP A 70 1.420 12.303 7.984 1.00 44.51 C ATOM 1180 CH2 TRP A 70 0.632 13.192 8.723 1.00 1.43 C ATOM 0 H TRP A 70 0.919 6.631 10.374 1.00 14.35 H new ATOM 0 HA TRP A 70 1.834 8.430 8.481 1.00 50.03 H new ATOM 0 HB2 TRP A 70 2.585 7.823 11.329 1.00 63.33 H new ATOM 0 HB3 TRP A 70 3.716 8.805 10.420 1.00 63.33 H new ATOM 0 HD1 TRP A 70 1.271 9.467 12.865 1.00 13.35 H new ATOM 0 HE1 TRP A 70 0.019 11.707 12.585 1.00 53.22 H new ATOM 0 HE3 TRP A 70 2.484 10.445 7.966 1.00 64.15 H new ATOM 0 HZ2 TRP A 70 -0.313 13.627 10.585 1.00 61.25 H new ATOM 0 HZ3 TRP A 70 1.671 12.539 6.960 1.00 44.51 H new ATOM 0 HH2 TRP A 70 0.283 14.101 8.256 1.00 1.43 H new ATOM 1191 N ASP A 71 3.981 5.973 9.045 1.00 71.34 N ATOM 1192 CA ASP A 71 5.233 5.321 8.634 1.00 25.22 C ATOM 1193 C ASP A 71 5.184 4.920 7.137 1.00 62.12 C ATOM 1194 O ASP A 71 6.136 5.173 6.406 1.00 42.32 O ATOM 1195 CB ASP A 71 5.497 4.114 9.559 1.00 72.01 C ATOM 1196 CG ASP A 71 5.587 4.540 11.035 1.00 41.34 C ATOM 1197 OD1 ASP A 71 4.529 4.762 11.664 1.00 32.34 O ATOM 1198 OD2 ASP A 71 6.711 4.699 11.566 1.00 62.12 O ATOM 0 H ASP A 71 3.451 5.444 9.737 1.00 71.34 H new ATOM 0 HA ASP A 71 6.065 6.018 8.735 1.00 25.22 H new ATOM 0 HB2 ASP A 71 4.699 3.382 9.439 1.00 72.01 H new ATOM 0 HB3 ASP A 71 6.425 3.625 9.264 1.00 72.01 H new ATOM 1203 N ILE A 72 4.032 4.363 6.695 1.00 24.10 N ATOM 1204 CA ILE A 72 3.760 4.033 5.259 1.00 11.11 C ATOM 1205 C ILE A 72 3.983 5.274 4.348 1.00 13.14 C ATOM 1206 O ILE A 72 4.630 5.189 3.297 1.00 2.44 O ATOM 1207 CB ILE A 72 2.270 3.528 5.070 1.00 21.42 C ATOM 1208 CG1 ILE A 72 1.977 2.274 5.957 1.00 64.25 C ATOM 1209 CG2 ILE A 72 1.935 3.236 3.581 1.00 10.22 C ATOM 1210 CD1 ILE A 72 0.505 1.872 6.037 1.00 23.35 C ATOM 0 H ILE A 72 3.259 4.126 7.317 1.00 24.10 H new ATOM 0 HA ILE A 72 4.455 3.243 4.973 1.00 11.11 H new ATOM 0 HB ILE A 72 1.620 4.339 5.398 1.00 21.42 H new ATOM 0 HG12 ILE A 72 2.548 1.431 5.568 1.00 64.25 H new ATOM 0 HG13 ILE A 72 2.341 2.468 6.966 1.00 64.25 H new ATOM 0 HG21 ILE A 72 0.904 2.893 3.501 1.00 10.22 H new ATOM 0 HG22 ILE A 72 2.061 4.146 2.994 1.00 10.22 H new ATOM 0 HG23 ILE A 72 2.605 2.464 3.202 1.00 10.22 H new ATOM 0 HD11 ILE A 72 0.402 0.993 6.674 1.00 23.35 H new ATOM 0 HD12 ILE A 72 -0.074 2.694 6.457 1.00 23.35 H new ATOM 0 HD13 ILE A 72 0.136 1.641 5.038 1.00 23.35 H new ATOM 1222 N TYR A 73 3.447 6.423 4.802 1.00 74.43 N ATOM 1223 CA TYR A 73 3.497 7.702 4.062 1.00 34.23 C ATOM 1224 C TYR A 73 4.947 8.250 3.948 1.00 43.55 C ATOM 1225 O TYR A 73 5.352 8.744 2.891 1.00 24.12 O ATOM 1226 CB TYR A 73 2.564 8.731 4.765 1.00 40.21 C ATOM 1227 CG TYR A 73 2.446 10.088 4.050 1.00 34.43 C ATOM 1228 CD1 TYR A 73 1.730 10.206 2.853 1.00 74.02 C ATOM 1229 CD2 TYR A 73 3.052 11.242 4.563 1.00 31.15 C ATOM 1230 CE1 TYR A 73 1.628 11.420 2.197 1.00 73.55 C ATOM 1231 CE2 TYR A 73 2.952 12.456 3.908 1.00 30.34 C ATOM 1232 CZ TYR A 73 2.238 12.540 2.729 1.00 12.55 C ATOM 1233 OH TYR A 73 2.144 13.750 2.069 1.00 4.53 O ATOM 0 H TYR A 73 2.964 6.492 5.698 1.00 74.43 H new ATOM 0 HA TYR A 73 3.149 7.530 3.043 1.00 34.23 H new ATOM 0 HB2 TYR A 73 1.569 8.296 4.855 1.00 40.21 H new ATOM 0 HB3 TYR A 73 2.931 8.900 5.777 1.00 40.21 H new ATOM 0 HD1 TYR A 73 1.249 9.334 2.434 1.00 74.02 H new ATOM 0 HD2 TYR A 73 3.608 11.183 5.487 1.00 31.15 H new ATOM 0 HE1 TYR A 73 1.074 11.492 1.273 1.00 73.55 H new ATOM 0 HE2 TYR A 73 3.430 13.334 4.317 1.00 30.34 H new ATOM 0 HH TYR A 73 2.626 14.437 2.575 1.00 4.53 H new ATOM 1243 N TYR A 74 5.719 8.135 5.044 1.00 63.24 N ATOM 1244 CA TYR A 74 7.103 8.665 5.113 1.00 11.53 C ATOM 1245 C TYR A 74 8.117 7.771 4.359 1.00 52.43 C ATOM 1246 O TYR A 74 9.139 8.269 3.875 1.00 41.21 O ATOM 1247 CB TYR A 74 7.544 8.841 6.580 1.00 24.34 C ATOM 1248 CG TYR A 74 6.744 9.882 7.386 1.00 32.24 C ATOM 1249 CD1 TYR A 74 6.441 11.141 6.855 1.00 10.31 C ATOM 1250 CD2 TYR A 74 6.323 9.617 8.689 1.00 52.42 C ATOM 1251 CE1 TYR A 74 5.749 12.083 7.597 1.00 43.04 C ATOM 1252 CE2 TYR A 74 5.629 10.551 9.427 1.00 42.33 C ATOM 1253 CZ TYR A 74 5.346 11.781 8.881 1.00 70.22 C ATOM 1254 OH TYR A 74 4.655 12.715 9.626 1.00 35.52 O ATOM 0 H TYR A 74 5.410 7.678 5.902 1.00 63.24 H new ATOM 0 HA TYR A 74 7.093 9.636 4.619 1.00 11.53 H new ATOM 0 HB2 TYR A 74 7.466 7.878 7.084 1.00 24.34 H new ATOM 0 HB3 TYR A 74 8.596 9.125 6.595 1.00 24.34 H new ATOM 0 HD1 TYR A 74 6.752 11.382 5.849 1.00 10.31 H new ATOM 0 HD2 TYR A 74 6.546 8.657 9.130 1.00 52.42 H new ATOM 0 HE1 TYR A 74 5.526 13.050 7.172 1.00 43.04 H new ATOM 0 HE2 TYR A 74 5.308 10.318 10.432 1.00 42.33 H new ATOM 0 HH TYR A 74 3.692 12.551 9.544 1.00 35.52 H new ATOM 1264 N TRP A 75 7.838 6.455 4.283 1.00 2.04 N ATOM 1265 CA TRP A 75 8.645 5.504 3.480 1.00 74.42 C ATOM 1266 C TRP A 75 8.343 5.667 1.971 1.00 0.43 C ATOM 1267 O TRP A 75 9.210 5.431 1.123 1.00 1.32 O ATOM 1268 CB TRP A 75 8.377 4.037 3.910 1.00 32.33 C ATOM 1269 CG TRP A 75 8.678 3.709 5.356 1.00 11.20 C ATOM 1270 CD1 TRP A 75 9.637 4.269 6.157 1.00 74.12 C ATOM 1271 CD2 TRP A 75 8.021 2.713 6.157 1.00 44.33 C ATOM 1272 NE1 TRP A 75 9.594 3.702 7.404 1.00 70.32 N ATOM 1273 CE2 TRP A 75 8.615 2.744 7.429 1.00 55.44 C ATOM 1274 CE3 TRP A 75 6.978 1.808 5.919 1.00 15.55 C ATOM 1275 CZ2 TRP A 75 8.204 1.907 8.464 1.00 52.00 C ATOM 1276 CZ3 TRP A 75 6.570 0.975 6.946 1.00 14.41 C ATOM 1277 CH2 TRP A 75 7.181 1.031 8.207 1.00 2.13 C ATOM 0 H TRP A 75 7.055 6.020 4.770 1.00 2.04 H new ATOM 0 HA TRP A 75 9.695 5.733 3.661 1.00 74.42 H new ATOM 0 HB2 TRP A 75 7.329 3.807 3.715 1.00 32.33 H new ATOM 0 HB3 TRP A 75 8.971 3.378 3.276 1.00 32.33 H new ATOM 0 HD1 TRP A 75 10.325 5.043 5.851 1.00 74.12 H new ATOM 0 HE1 TRP A 75 10.195 3.953 8.189 1.00 70.32 H new ATOM 0 HE3 TRP A 75 6.501 1.761 4.951 1.00 15.55 H new ATOM 0 HZ2 TRP A 75 8.675 1.947 9.435 1.00 52.00 H new ATOM 0 HZ3 TRP A 75 5.769 0.271 6.774 1.00 14.41 H new ATOM 0 HH2 TRP A 75 6.839 0.371 8.991 1.00 2.13 H new ATOM 1288 N ALA A 76 7.081 6.031 1.655 1.00 71.41 N ATOM 1289 CA ALA A 76 6.651 6.379 0.278 1.00 62.11 C ATOM 1290 C ALA A 76 7.367 7.648 -0.245 1.00 70.33 C ATOM 1291 O ALA A 76 7.623 7.787 -1.441 1.00 42.50 O ATOM 1292 CB ALA A 76 5.133 6.581 0.240 1.00 14.42 C ATOM 0 H ALA A 76 6.331 6.093 2.344 1.00 71.41 H new ATOM 0 HA ALA A 76 6.927 5.551 -0.375 1.00 62.11 H new ATOM 0 HB1 ALA A 76 4.825 6.836 -0.774 1.00 14.42 H new ATOM 0 HB2 ALA A 76 4.636 5.662 0.550 1.00 14.42 H new ATOM 0 HB3 ALA A 76 4.856 7.389 0.917 1.00 14.42 H new ATOM 1298 N THR A 77 7.648 8.581 0.671 1.00 3.41 N ATOM 1299 CA THR A 77 8.437 9.798 0.375 1.00 14.22 C ATOM 1300 C THR A 77 9.926 9.589 0.749 1.00 40.42 C ATOM 1301 O THR A 77 10.291 8.568 1.337 1.00 45.33 O ATOM 1302 CB THR A 77 7.865 11.035 1.154 1.00 72.55 C ATOM 1303 OG1 THR A 77 7.976 10.843 2.582 1.00 11.41 O ATOM 1304 CG2 THR A 77 6.389 11.293 0.797 1.00 75.24 C ATOM 0 H THR A 77 7.338 8.521 1.641 1.00 3.41 H new ATOM 0 HA THR A 77 8.364 9.991 -0.695 1.00 14.22 H new ATOM 0 HB THR A 77 8.458 11.899 0.856 1.00 72.55 H new ATOM 0 HG1 THR A 77 8.231 9.915 2.769 1.00 11.41 H new ATOM 0 HG21 THR A 77 6.025 12.156 1.354 1.00 75.24 H new ATOM 0 HG22 THR A 77 6.302 11.488 -0.272 1.00 75.24 H new ATOM 0 HG23 THR A 77 5.794 10.417 1.056 1.00 75.24 H new ATOM 1312 N LYS A 78 10.787 10.558 0.396 1.00 34.52 N ATOM 1313 CA LYS A 78 12.201 10.571 0.833 1.00 12.35 C ATOM 1314 C LYS A 78 12.283 11.347 2.178 1.00 71.24 C ATOM 1315 O LYS A 78 12.791 12.479 2.252 1.00 23.20 O ATOM 1316 CB LYS A 78 13.108 11.187 -0.296 1.00 25.10 C ATOM 1317 CG LYS A 78 14.591 10.708 -0.322 1.00 51.14 C ATOM 1318 CD LYS A 78 15.451 11.225 0.859 1.00 63.54 C ATOM 1319 CE LYS A 78 16.918 10.756 0.781 1.00 41.51 C ATOM 1320 NZ LYS A 78 17.744 11.317 1.884 1.00 73.13 N ATOM 0 H LYS A 78 10.530 11.349 -0.194 1.00 34.52 H new ATOM 0 HA LYS A 78 12.575 9.561 1.002 1.00 12.35 H new ATOM 0 HB2 LYS A 78 12.657 10.958 -1.261 1.00 25.10 H new ATOM 0 HB3 LYS A 78 13.100 12.272 -0.189 1.00 25.10 H new ATOM 0 HG2 LYS A 78 14.608 9.618 -0.318 1.00 51.14 H new ATOM 0 HG3 LYS A 78 15.048 11.031 -1.257 1.00 51.14 H new ATOM 0 HD2 LYS A 78 15.423 12.315 0.873 1.00 63.54 H new ATOM 0 HD3 LYS A 78 15.014 10.883 1.797 1.00 63.54 H new ATOM 0 HE2 LYS A 78 16.953 9.667 0.820 1.00 41.51 H new ATOM 0 HE3 LYS A 78 17.343 11.054 -0.177 1.00 41.51 H new ATOM 0 HZ1 LYS A 78 18.722 10.976 1.793 1.00 73.13 H new ATOM 0 HZ2 LYS A 78 17.733 12.356 1.832 1.00 73.13 H new ATOM 0 HZ3 LYS A 78 17.355 11.012 2.799 1.00 73.13 H new ATOM 1334 N ASN A 79 11.722 10.729 3.237 1.00 53.23 N ATOM 1335 CA ASN A 79 11.612 11.346 4.574 1.00 71.21 C ATOM 1336 C ASN A 79 11.710 10.254 5.669 1.00 71.53 C ATOM 1337 O ASN A 79 10.708 9.808 6.240 1.00 51.31 O ATOM 1338 CB ASN A 79 10.290 12.163 4.671 1.00 34.42 C ATOM 1339 CG ASN A 79 10.120 12.933 5.984 1.00 72.32 C ATOM 1340 OD1 ASN A 79 11.089 13.266 6.662 1.00 73.34 O ATOM 1341 ND2 ASN A 79 8.892 13.259 6.330 1.00 52.22 N ATOM 0 H ASN A 79 11.332 9.788 3.189 1.00 53.23 H new ATOM 0 HA ASN A 79 12.438 12.040 4.732 1.00 71.21 H new ATOM 0 HB2 ASN A 79 10.251 12.869 3.842 1.00 34.42 H new ATOM 0 HB3 ASN A 79 9.447 11.483 4.550 1.00 34.42 H new ATOM 0 HD21 ASN A 79 8.728 13.801 7.179 1.00 52.22 H new ATOM 0 HD22 ASN A 79 8.105 12.970 5.749 1.00 52.22 H new ATOM 1348 N PHE A 80 12.948 9.811 5.928 1.00 14.32 N ATOM 1349 CA PHE A 80 13.246 8.704 6.868 1.00 41.22 C ATOM 1350 C PHE A 80 13.806 9.219 8.220 1.00 4.51 C ATOM 1351 O PHE A 80 14.097 8.419 9.119 1.00 61.10 O ATOM 1352 CB PHE A 80 14.236 7.715 6.194 1.00 21.15 C ATOM 1353 CG PHE A 80 13.739 7.173 4.845 1.00 13.24 C ATOM 1354 CD1 PHE A 80 12.812 6.130 4.789 1.00 2.35 C ATOM 1355 CD2 PHE A 80 14.185 7.719 3.634 1.00 12.01 C ATOM 1356 CE1 PHE A 80 12.353 5.649 3.574 1.00 40.13 C ATOM 1357 CE2 PHE A 80 13.724 7.234 2.419 1.00 51.34 C ATOM 1358 CZ PHE A 80 12.805 6.201 2.389 1.00 64.33 C ATOM 0 H PHE A 80 13.780 10.208 5.492 1.00 14.32 H new ATOM 0 HA PHE A 80 12.314 8.187 7.098 1.00 41.22 H new ATOM 0 HB2 PHE A 80 15.192 8.216 6.045 1.00 21.15 H new ATOM 0 HB3 PHE A 80 14.416 6.878 6.868 1.00 21.15 H new ATOM 0 HD1 PHE A 80 12.448 5.692 5.707 1.00 2.35 H new ATOM 0 HD2 PHE A 80 14.898 8.530 3.647 1.00 12.01 H new ATOM 0 HE1 PHE A 80 11.639 4.839 3.552 1.00 40.13 H new ATOM 0 HE2 PHE A 80 14.083 7.664 1.495 1.00 51.34 H new ATOM 0 HZ PHE A 80 12.441 5.827 1.443 1.00 64.33 H new ATOM 1368 N LYS A 81 13.937 10.556 8.365 1.00 64.20 N ATOM 1369 CA LYS A 81 14.420 11.192 9.619 1.00 44.22 C ATOM 1370 C LYS A 81 13.348 11.159 10.742 1.00 12.41 C ATOM 1371 O LYS A 81 13.673 11.323 11.923 1.00 35.34 O ATOM 1372 CB LYS A 81 14.887 12.649 9.351 1.00 25.00 C ATOM 1373 CG LYS A 81 13.781 13.634 8.881 1.00 1.14 C ATOM 1374 CD LYS A 81 14.320 15.069 8.627 1.00 5.22 C ATOM 1375 CE LYS A 81 14.909 15.724 9.895 1.00 31.33 C ATOM 1376 NZ LYS A 81 15.487 17.066 9.626 1.00 72.03 N ATOM 0 H LYS A 81 13.714 11.223 7.626 1.00 64.20 H new ATOM 0 HA LYS A 81 15.272 10.609 9.968 1.00 44.22 H new ATOM 0 HB2 LYS A 81 15.334 13.042 10.264 1.00 25.00 H new ATOM 0 HB3 LYS A 81 15.673 12.626 8.596 1.00 25.00 H new ATOM 0 HG2 LYS A 81 13.328 13.254 7.965 1.00 1.14 H new ATOM 0 HG3 LYS A 81 12.994 13.675 9.634 1.00 1.14 H new ATOM 0 HD2 LYS A 81 15.087 15.032 7.854 1.00 5.22 H new ATOM 0 HD3 LYS A 81 13.512 15.692 8.244 1.00 5.22 H new ATOM 0 HE2 LYS A 81 14.128 15.813 10.650 1.00 31.33 H new ATOM 0 HE3 LYS A 81 15.681 15.076 10.310 1.00 31.33 H new ATOM 0 HZ1 LYS A 81 15.869 17.463 10.508 1.00 72.03 H new ATOM 0 HZ2 LYS A 81 16.251 16.981 8.926 1.00 72.03 H new ATOM 0 HZ3 LYS A 81 14.746 17.695 9.256 1.00 72.03 H new ATOM 1390 N THR A 82 12.073 10.954 10.359 1.00 44.45 N ATOM 1391 CA THR A 82 10.933 10.836 11.308 1.00 41.32 C ATOM 1392 C THR A 82 10.434 9.369 11.421 1.00 44.25 C ATOM 1393 O THR A 82 10.015 8.926 12.501 1.00 64.42 O ATOM 1394 CB THR A 82 9.754 11.780 10.893 1.00 63.52 C ATOM 1395 OG1 THR A 82 8.619 11.590 11.762 1.00 32.20 O ATOM 1396 CG2 THR A 82 9.330 11.575 9.428 1.00 2.02 C ATOM 0 H THR A 82 11.797 10.864 9.381 1.00 44.45 H new ATOM 0 HA THR A 82 11.296 11.146 12.288 1.00 41.32 H new ATOM 0 HB THR A 82 10.119 12.802 10.992 1.00 63.52 H new ATOM 0 HG1 THR A 82 7.893 12.189 11.488 1.00 32.20 H new ATOM 0 HG21 THR A 82 8.510 12.252 9.188 1.00 2.02 H new ATOM 0 HG22 THR A 82 10.175 11.783 8.772 1.00 2.02 H new ATOM 0 HG23 THR A 82 9.004 10.545 9.284 1.00 2.02 H new ATOM 1404 N SER A 83 10.480 8.624 10.296 1.00 1.13 N ATOM 1405 CA SER A 83 10.166 7.172 10.257 1.00 20.12 C ATOM 1406 C SER A 83 11.279 6.407 9.507 1.00 22.42 C ATOM 1407 O SER A 83 11.288 6.391 8.271 1.00 63.12 O ATOM 1408 CB SER A 83 8.783 6.903 9.603 1.00 23.15 C ATOM 1409 OG SER A 83 7.727 7.375 10.425 1.00 64.52 O ATOM 0 H SER A 83 10.736 9.009 9.387 1.00 1.13 H new ATOM 0 HA SER A 83 10.118 6.812 11.285 1.00 20.12 H new ATOM 0 HB2 SER A 83 8.736 7.392 8.630 1.00 23.15 H new ATOM 0 HB3 SER A 83 8.662 5.834 9.429 1.00 23.15 H new ATOM 0 HG SER A 83 7.293 6.616 10.868 1.00 64.52 H new ATOM 1415 N PRO A 84 12.270 5.797 10.248 1.00 0.14 N ATOM 1416 CA PRO A 84 13.368 4.995 9.634 1.00 41.23 C ATOM 1417 C PRO A 84 12.840 3.760 8.868 1.00 44.54 C ATOM 1418 O PRO A 84 11.835 3.157 9.269 1.00 64.13 O ATOM 1419 CB PRO A 84 14.238 4.566 10.851 1.00 21.23 C ATOM 1420 CG PRO A 84 13.868 5.526 11.943 1.00 20.01 C ATOM 1421 CD PRO A 84 12.409 5.847 11.729 1.00 32.41 C ATOM 0 HA PRO A 84 13.921 5.568 8.889 1.00 41.23 H new ATOM 0 HB2 PRO A 84 14.031 3.536 11.142 1.00 21.23 H new ATOM 0 HB3 PRO A 84 15.301 4.623 10.617 1.00 21.23 H new ATOM 0 HG2 PRO A 84 14.031 5.083 12.925 1.00 20.01 H new ATOM 0 HG3 PRO A 84 14.478 6.428 11.895 1.00 20.01 H new ATOM 0 HD2 PRO A 84 11.760 5.122 12.220 1.00 32.41 H new ATOM 0 HD3 PRO A 84 12.149 6.828 12.126 1.00 32.41 H new ATOM 1429 N LEU A 85 13.528 3.383 7.781 1.00 11.33 N ATOM 1430 CA LEU A 85 13.117 2.258 6.926 1.00 12.50 C ATOM 1431 C LEU A 85 13.630 0.904 7.499 1.00 12.11 C ATOM 1432 O LEU A 85 14.847 0.711 7.606 1.00 53.42 O ATOM 1433 CB LEU A 85 13.640 2.482 5.483 1.00 44.00 C ATOM 1434 CG LEU A 85 13.087 1.496 4.418 1.00 72.53 C ATOM 1435 CD1 LEU A 85 11.547 1.559 4.364 1.00 2.30 C ATOM 1436 CD2 LEU A 85 13.703 1.757 3.023 1.00 22.32 C ATOM 0 H LEU A 85 14.382 3.846 7.470 1.00 11.33 H new ATOM 0 HA LEU A 85 12.028 2.213 6.904 1.00 12.50 H new ATOM 0 HB2 LEU A 85 13.392 3.498 5.177 1.00 44.00 H new ATOM 0 HB3 LEU A 85 14.728 2.409 5.492 1.00 44.00 H new ATOM 0 HG LEU A 85 13.378 0.489 4.717 1.00 72.53 H new ATOM 0 HD11 LEU A 85 11.180 0.861 3.612 1.00 2.30 H new ATOM 0 HD12 LEU A 85 11.138 1.291 5.338 1.00 2.30 H new ATOM 0 HD13 LEU A 85 11.233 2.570 4.104 1.00 2.30 H new ATOM 0 HD21 LEU A 85 13.292 1.048 2.305 1.00 22.32 H new ATOM 0 HD22 LEU A 85 13.467 2.773 2.705 1.00 22.32 H new ATOM 0 HD23 LEU A 85 14.785 1.635 3.074 1.00 22.32 H new ATOM 1448 N PRO A 86 12.706 -0.048 7.886 1.00 4.21 N ATOM 1449 CA PRO A 86 13.089 -1.376 8.425 1.00 24.53 C ATOM 1450 C PRO A 86 13.558 -2.342 7.306 1.00 72.54 C ATOM 1451 O PRO A 86 13.276 -2.106 6.128 1.00 4.02 O ATOM 1452 CB PRO A 86 11.781 -1.891 9.116 1.00 70.24 C ATOM 1453 CG PRO A 86 10.780 -0.770 8.986 1.00 3.11 C ATOM 1454 CD PRO A 86 11.233 0.066 7.812 1.00 75.11 C ATOM 0 HA PRO A 86 13.933 -1.316 9.112 1.00 24.53 H new ATOM 0 HB2 PRO A 86 11.416 -2.799 8.636 1.00 70.24 H new ATOM 0 HB3 PRO A 86 11.962 -2.135 10.163 1.00 70.24 H new ATOM 0 HG2 PRO A 86 9.776 -1.162 8.821 1.00 3.11 H new ATOM 0 HG3 PRO A 86 10.743 -0.173 9.897 1.00 3.11 H new ATOM 0 HD2 PRO A 86 10.844 -0.315 6.868 1.00 75.11 H new ATOM 0 HD3 PRO A 86 10.901 1.101 7.899 1.00 75.11 H new ATOM 1462 N ASP A 87 14.241 -3.442 7.699 1.00 1.23 N ATOM 1463 CA ASP A 87 14.781 -4.465 6.757 1.00 34.02 C ATOM 1464 C ASP A 87 13.677 -5.069 5.854 1.00 2.14 C ATOM 1465 O ASP A 87 13.900 -5.336 4.667 1.00 72.51 O ATOM 1466 CB ASP A 87 15.483 -5.600 7.545 1.00 15.31 C ATOM 1467 CG ASP A 87 16.657 -5.090 8.395 1.00 21.32 C ATOM 1468 OD1 ASP A 87 16.422 -4.645 9.536 1.00 53.11 O ATOM 1469 OD2 ASP A 87 17.812 -5.106 7.914 1.00 63.34 O ATOM 0 H ASP A 87 14.436 -3.651 8.678 1.00 1.23 H new ATOM 0 HA ASP A 87 15.500 -3.960 6.113 1.00 34.02 H new ATOM 0 HB2 ASP A 87 14.757 -6.091 8.193 1.00 15.31 H new ATOM 0 HB3 ASP A 87 15.846 -6.353 6.845 1.00 15.31 H new ATOM 1474 N LYS A 88 12.492 -5.271 6.454 1.00 43.13 N ATOM 1475 CA LYS A 88 11.295 -5.823 5.773 1.00 14.31 C ATOM 1476 C LYS A 88 10.817 -4.970 4.560 1.00 75.21 C ATOM 1477 O LYS A 88 10.225 -5.510 3.618 1.00 10.33 O ATOM 1478 CB LYS A 88 10.153 -6.003 6.814 1.00 14.44 C ATOM 1479 CG LYS A 88 9.732 -4.709 7.546 1.00 53.41 C ATOM 1480 CD LYS A 88 8.683 -4.917 8.676 1.00 11.14 C ATOM 1481 CE LYS A 88 7.279 -5.334 8.176 1.00 15.34 C ATOM 1482 NZ LYS A 88 7.209 -6.740 7.694 1.00 3.51 N ATOM 0 H LYS A 88 12.330 -5.055 7.438 1.00 43.13 H new ATOM 0 HA LYS A 88 11.576 -6.789 5.353 1.00 14.31 H new ATOM 0 HB2 LYS A 88 9.281 -6.417 6.308 1.00 14.44 H new ATOM 0 HB3 LYS A 88 10.469 -6.737 7.556 1.00 14.44 H new ATOM 0 HG2 LYS A 88 10.620 -4.244 7.974 1.00 53.41 H new ATOM 0 HG3 LYS A 88 9.326 -4.009 6.815 1.00 53.41 H new ATOM 0 HD2 LYS A 88 9.052 -5.679 9.362 1.00 11.14 H new ATOM 0 HD3 LYS A 88 8.593 -3.992 9.246 1.00 11.14 H new ATOM 0 HE2 LYS A 88 6.561 -5.200 8.985 1.00 15.34 H new ATOM 0 HE3 LYS A 88 6.978 -4.667 7.368 1.00 15.34 H new ATOM 0 HZ1 LYS A 88 7.189 -6.750 6.654 1.00 3.51 H new ATOM 0 HZ2 LYS A 88 8.042 -7.264 8.029 1.00 3.51 H new ATOM 0 HZ3 LYS A 88 6.346 -7.190 8.061 1.00 3.51 H new ATOM 1496 N TRP A 89 11.072 -3.637 4.582 1.00 22.44 N ATOM 1497 CA TRP A 89 10.717 -2.732 3.452 1.00 25.12 C ATOM 1498 C TRP A 89 11.975 -2.133 2.772 1.00 72.02 C ATOM 1499 O TRP A 89 11.869 -1.462 1.743 1.00 35.51 O ATOM 1500 CB TRP A 89 9.756 -1.607 3.932 1.00 55.24 C ATOM 1501 CG TRP A 89 8.488 -2.124 4.590 1.00 51.11 C ATOM 1502 CD1 TRP A 89 8.124 -1.986 5.902 1.00 63.53 C ATOM 1503 CD2 TRP A 89 7.432 -2.886 3.964 1.00 24.34 C ATOM 1504 NE1 TRP A 89 6.927 -2.615 6.127 1.00 63.22 N ATOM 1505 CE2 TRP A 89 6.484 -3.174 4.956 1.00 63.00 C ATOM 1506 CE3 TRP A 89 7.203 -3.354 2.664 1.00 54.50 C ATOM 1507 CZ2 TRP A 89 5.327 -3.910 4.689 1.00 44.04 C ATOM 1508 CZ3 TRP A 89 6.057 -4.078 2.398 1.00 20.13 C ATOM 1509 CH2 TRP A 89 5.132 -4.354 3.408 1.00 73.11 C ATOM 0 H TRP A 89 11.521 -3.164 5.366 1.00 22.44 H new ATOM 0 HA TRP A 89 10.201 -3.332 2.702 1.00 25.12 H new ATOM 0 HB2 TRP A 89 10.285 -0.966 4.637 1.00 55.24 H new ATOM 0 HB3 TRP A 89 9.484 -0.985 3.079 1.00 55.24 H new ATOM 0 HD1 TRP A 89 8.696 -1.459 6.651 1.00 63.53 H new ATOM 0 HE1 TRP A 89 6.443 -2.660 7.024 1.00 63.22 H new ATOM 0 HE3 TRP A 89 7.915 -3.151 1.878 1.00 54.50 H new ATOM 0 HZ2 TRP A 89 4.609 -4.122 5.468 1.00 44.04 H new ATOM 0 HZ3 TRP A 89 5.874 -4.436 1.396 1.00 20.13 H new ATOM 0 HH2 TRP A 89 4.247 -4.928 3.175 1.00 73.11 H new ATOM 1520 N ALA A 90 13.167 -2.417 3.338 1.00 42.41 N ATOM 1521 CA ALA A 90 14.473 -1.934 2.807 1.00 0.14 C ATOM 1522 C ALA A 90 14.797 -2.518 1.414 1.00 73.34 C ATOM 1523 O ALA A 90 15.540 -1.920 0.628 1.00 55.34 O ATOM 1524 CB ALA A 90 15.596 -2.284 3.796 1.00 72.43 C ATOM 0 H ALA A 90 13.258 -2.988 4.178 1.00 42.41 H new ATOM 0 HA ALA A 90 14.398 -0.853 2.693 1.00 0.14 H new ATOM 0 HB1 ALA A 90 16.549 -1.929 3.404 1.00 72.43 H new ATOM 0 HB2 ALA A 90 15.398 -1.807 4.756 1.00 72.43 H new ATOM 0 HB3 ALA A 90 15.639 -3.365 3.931 1.00 72.43 H new ATOM 1530 N ASN A 91 14.234 -3.702 1.133 1.00 12.54 N ATOM 1531 CA ASN A 91 14.433 -4.430 -0.137 1.00 52.35 C ATOM 1532 C ASN A 91 13.088 -4.695 -0.867 1.00 70.31 C ATOM 1533 O ASN A 91 13.040 -5.461 -1.833 1.00 34.03 O ATOM 1534 CB ASN A 91 15.189 -5.759 0.153 1.00 21.21 C ATOM 1535 CG ASN A 91 14.583 -6.594 1.295 1.00 74.02 C ATOM 1536 OD1 ASN A 91 13.384 -6.557 1.566 1.00 33.34 O ATOM 1537 ND2 ASN A 91 15.414 -7.363 1.966 1.00 11.52 N ATOM 0 H ASN A 91 13.620 -4.190 1.786 1.00 12.54 H new ATOM 0 HA ASN A 91 15.031 -3.812 -0.806 1.00 52.35 H new ATOM 0 HB2 ASN A 91 15.202 -6.362 -0.755 1.00 21.21 H new ATOM 0 HB3 ASN A 91 16.226 -5.528 0.398 1.00 21.21 H new ATOM 0 HD21 ASN A 91 15.067 -7.945 2.729 1.00 11.52 H new ATOM 0 HD22 ASN A 91 16.405 -7.377 1.723 1.00 11.52 H new ATOM 1544 N SER A 92 12.013 -4.035 -0.409 1.00 42.31 N ATOM 1545 CA SER A 92 10.647 -4.227 -0.956 1.00 74.42 C ATOM 1546 C SER A 92 10.461 -3.495 -2.297 1.00 21.23 C ATOM 1547 O SER A 92 10.592 -2.267 -2.360 1.00 51.02 O ATOM 1548 CB SER A 92 9.591 -3.725 0.044 1.00 65.14 C ATOM 1549 OG SER A 92 8.280 -3.760 -0.507 1.00 51.41 O ATOM 0 H SER A 92 12.058 -3.354 0.349 1.00 42.31 H new ATOM 0 HA SER A 92 10.517 -5.296 -1.125 1.00 74.42 H new ATOM 0 HB2 SER A 92 9.623 -4.339 0.944 1.00 65.14 H new ATOM 0 HB3 SER A 92 9.831 -2.705 0.345 1.00 65.14 H new ATOM 0 HG SER A 92 8.008 -4.691 -0.645 1.00 51.41 H new ATOM 1555 N LYS A 93 10.157 -4.259 -3.360 1.00 14.02 N ATOM 1556 CA LYS A 93 9.811 -3.687 -4.676 1.00 24.11 C ATOM 1557 C LYS A 93 8.430 -2.982 -4.626 1.00 63.23 C ATOM 1558 O LYS A 93 8.216 -1.995 -5.325 1.00 35.12 O ATOM 1559 CB LYS A 93 9.831 -4.777 -5.775 1.00 23.45 C ATOM 1560 CG LYS A 93 9.680 -4.226 -7.209 1.00 70.23 C ATOM 1561 CD LYS A 93 9.613 -5.339 -8.270 1.00 12.21 C ATOM 1562 CE LYS A 93 9.494 -4.781 -9.697 1.00 31.14 C ATOM 1563 NZ LYS A 93 9.376 -5.859 -10.706 1.00 53.54 N ATOM 0 H LYS A 93 10.143 -5.279 -3.335 1.00 14.02 H new ATOM 0 HA LYS A 93 10.564 -2.940 -4.927 1.00 24.11 H new ATOM 0 HB2 LYS A 93 10.767 -5.330 -5.706 1.00 23.45 H new ATOM 0 HB3 LYS A 93 9.026 -5.487 -5.583 1.00 23.45 H new ATOM 0 HG2 LYS A 93 8.776 -3.619 -7.267 1.00 70.23 H new ATOM 0 HG3 LYS A 93 10.520 -3.568 -7.431 1.00 70.23 H new ATOM 0 HD2 LYS A 93 10.506 -5.960 -8.199 1.00 12.21 H new ATOM 0 HD3 LYS A 93 8.759 -5.984 -8.063 1.00 12.21 H new ATOM 0 HE2 LYS A 93 8.623 -4.129 -9.760 1.00 31.14 H new ATOM 0 HE3 LYS A 93 10.368 -4.169 -9.921 1.00 31.14 H new ATOM 0 HZ1 LYS A 93 9.298 -5.440 -11.655 1.00 53.54 H new ATOM 0 HZ2 LYS A 93 10.219 -6.467 -10.664 1.00 53.54 H new ATOM 0 HZ3 LYS A 93 8.528 -6.428 -10.508 1.00 53.54 H new ATOM 1577 N LEU A 94 7.506 -3.504 -3.785 1.00 31.02 N ATOM 1578 CA LEU A 94 6.184 -2.873 -3.524 1.00 51.32 C ATOM 1579 C LEU A 94 6.339 -1.426 -3.002 1.00 23.14 C ATOM 1580 O LEU A 94 5.603 -0.518 -3.411 1.00 54.12 O ATOM 1581 CB LEU A 94 5.400 -3.698 -2.475 1.00 23.21 C ATOM 1582 CG LEU A 94 4.021 -3.110 -2.016 1.00 14.11 C ATOM 1583 CD1 LEU A 94 2.927 -3.270 -3.097 1.00 35.40 C ATOM 1584 CD2 LEU A 94 3.583 -3.706 -0.669 1.00 63.14 C ATOM 0 H LEU A 94 7.652 -4.371 -3.268 1.00 31.02 H new ATOM 0 HA LEU A 94 5.641 -2.849 -4.469 1.00 51.32 H new ATOM 0 HB2 LEU A 94 5.228 -4.694 -2.883 1.00 23.21 H new ATOM 0 HB3 LEU A 94 6.031 -3.818 -1.594 1.00 23.21 H new ATOM 0 HG LEU A 94 4.161 -2.038 -1.873 1.00 14.11 H new ATOM 0 HD11 LEU A 94 1.991 -2.848 -2.732 1.00 35.40 H new ATOM 0 HD12 LEU A 94 3.232 -2.747 -4.004 1.00 35.40 H new ATOM 0 HD13 LEU A 94 2.786 -4.328 -3.318 1.00 35.40 H new ATOM 0 HD21 LEU A 94 2.624 -3.279 -0.377 1.00 63.14 H new ATOM 0 HD22 LEU A 94 3.485 -4.787 -0.764 1.00 63.14 H new ATOM 0 HD23 LEU A 94 4.329 -3.475 0.091 1.00 63.14 H new ATOM 1596 N LEU A 95 7.293 -1.237 -2.071 1.00 51.32 N ATOM 1597 CA LEU A 95 7.614 0.094 -1.525 1.00 3.13 C ATOM 1598 C LEU A 95 8.162 1.029 -2.626 1.00 64.51 C ATOM 1599 O LEU A 95 7.844 2.214 -2.650 1.00 51.20 O ATOM 1600 CB LEU A 95 8.641 0.003 -0.376 1.00 74.12 C ATOM 1601 CG LEU A 95 8.987 1.375 0.282 1.00 62.31 C ATOM 1602 CD1 LEU A 95 7.786 1.947 1.062 1.00 74.14 C ATOM 1603 CD2 LEU A 95 10.251 1.291 1.145 1.00 35.01 C ATOM 0 H LEU A 95 7.856 -1.992 -1.681 1.00 51.32 H new ATOM 0 HA LEU A 95 6.685 0.507 -1.133 1.00 3.13 H new ATOM 0 HB2 LEU A 95 8.253 -0.668 0.391 1.00 74.12 H new ATOM 0 HB3 LEU A 95 9.558 -0.446 -0.758 1.00 74.12 H new ATOM 0 HG LEU A 95 9.206 2.076 -0.524 1.00 62.31 H new ATOM 0 HD11 LEU A 95 8.063 2.903 1.507 1.00 74.14 H new ATOM 0 HD12 LEU A 95 6.947 2.093 0.382 1.00 74.14 H new ATOM 0 HD13 LEU A 95 7.498 1.250 1.849 1.00 74.14 H new ATOM 0 HD21 LEU A 95 10.457 2.267 1.585 1.00 35.01 H new ATOM 0 HD22 LEU A 95 10.101 0.559 1.939 1.00 35.01 H new ATOM 0 HD23 LEU A 95 11.095 0.987 0.526 1.00 35.01 H new ATOM 1615 N LYS A 96 9.001 0.476 -3.516 1.00 32.01 N ATOM 1616 CA LYS A 96 9.564 1.223 -4.670 1.00 33.11 C ATOM 1617 C LYS A 96 8.442 1.670 -5.639 1.00 32.11 C ATOM 1618 O LYS A 96 8.487 2.773 -6.172 1.00 22.31 O ATOM 1619 CB LYS A 96 10.616 0.352 -5.401 1.00 1.30 C ATOM 1620 CG LYS A 96 11.789 -0.100 -4.503 1.00 10.24 C ATOM 1621 CD LYS A 96 12.749 -1.079 -5.218 1.00 34.14 C ATOM 1622 CE LYS A 96 13.848 -1.619 -4.282 1.00 54.54 C ATOM 1623 NZ LYS A 96 14.744 -2.583 -4.968 1.00 4.53 N ATOM 0 H LYS A 96 9.311 -0.494 -3.464 1.00 32.01 H new ATOM 0 HA LYS A 96 10.056 2.122 -4.298 1.00 33.11 H new ATOM 0 HB2 LYS A 96 10.123 -0.530 -5.809 1.00 1.30 H new ATOM 0 HB3 LYS A 96 11.014 0.914 -6.246 1.00 1.30 H new ATOM 0 HG2 LYS A 96 12.349 0.776 -4.176 1.00 10.24 H new ATOM 0 HG3 LYS A 96 11.392 -0.577 -3.607 1.00 10.24 H new ATOM 0 HD2 LYS A 96 12.177 -1.915 -5.621 1.00 34.14 H new ATOM 0 HD3 LYS A 96 13.214 -0.574 -6.065 1.00 34.14 H new ATOM 0 HE2 LYS A 96 14.438 -0.786 -3.899 1.00 54.54 H new ATOM 0 HE3 LYS A 96 13.385 -2.104 -3.423 1.00 54.54 H new ATOM 0 HZ1 LYS A 96 15.467 -2.920 -4.301 1.00 4.53 H new ATOM 0 HZ2 LYS A 96 14.187 -3.391 -5.312 1.00 4.53 H new ATOM 0 HZ3 LYS A 96 15.207 -2.114 -5.773 1.00 4.53 H new ATOM 1637 N GLN A 97 7.429 0.798 -5.820 1.00 61.21 N ATOM 1638 CA GLN A 97 6.189 1.111 -6.575 1.00 30.23 C ATOM 1639 C GLN A 97 5.376 2.240 -5.873 1.00 44.02 C ATOM 1640 O GLN A 97 4.784 3.099 -6.531 1.00 3.14 O ATOM 1641 CB GLN A 97 5.306 -0.167 -6.699 1.00 33.40 C ATOM 1642 CG GLN A 97 5.905 -1.341 -7.510 1.00 54.54 C ATOM 1643 CD GLN A 97 6.098 -1.035 -8.999 1.00 42.23 C ATOM 1644 OE1 GLN A 97 5.194 -1.214 -9.809 1.00 62.02 O ATOM 1645 NE2 GLN A 97 7.281 -0.609 -9.378 1.00 32.43 N ATOM 0 H GLN A 97 7.444 -0.151 -5.446 1.00 61.21 H new ATOM 0 HA GLN A 97 6.475 1.457 -7.568 1.00 30.23 H new ATOM 0 HB2 GLN A 97 5.081 -0.525 -5.695 1.00 33.40 H new ATOM 0 HB3 GLN A 97 4.358 0.116 -7.157 1.00 33.40 H new ATOM 0 HG2 GLN A 97 6.868 -1.614 -7.078 1.00 54.54 H new ATOM 0 HG3 GLN A 97 5.253 -2.209 -7.409 1.00 54.54 H new ATOM 0 HE21 GLN A 97 8.018 -0.467 -8.687 1.00 32.43 H new ATOM 0 HE22 GLN A 97 7.463 -0.420 -10.364 1.00 32.43 H new ATOM 1654 N LEU A 98 5.350 2.197 -4.523 1.00 4.35 N ATOM 1655 CA LEU A 98 4.643 3.188 -3.665 1.00 2.10 C ATOM 1656 C LEU A 98 5.351 4.569 -3.708 1.00 0.31 C ATOM 1657 O LEU A 98 4.704 5.616 -3.633 1.00 63.13 O ATOM 1658 CB LEU A 98 4.566 2.637 -2.207 1.00 24.23 C ATOM 1659 CG LEU A 98 3.713 3.451 -1.180 1.00 54.31 C ATOM 1660 CD1 LEU A 98 2.212 3.437 -1.547 1.00 52.41 C ATOM 1661 CD2 LEU A 98 3.945 2.946 0.266 1.00 75.33 C ATOM 0 H LEU A 98 5.822 1.468 -3.988 1.00 4.35 H new ATOM 0 HA LEU A 98 3.632 3.336 -4.044 1.00 2.10 H new ATOM 0 HB2 LEU A 98 4.167 1.624 -2.249 1.00 24.23 H new ATOM 0 HB3 LEU A 98 5.582 2.564 -1.819 1.00 24.23 H new ATOM 0 HG LEU A 98 4.047 4.487 -1.227 1.00 54.31 H new ATOM 0 HD11 LEU A 98 1.652 4.013 -0.810 1.00 52.41 H new ATOM 0 HD12 LEU A 98 2.075 3.879 -2.534 1.00 52.41 H new ATOM 0 HD13 LEU A 98 1.849 2.409 -1.556 1.00 52.41 H new ATOM 0 HD21 LEU A 98 3.339 3.531 0.957 1.00 75.33 H new ATOM 0 HD22 LEU A 98 3.662 1.896 0.334 1.00 75.33 H new ATOM 0 HD23 LEU A 98 4.998 3.055 0.525 1.00 75.33 H new ATOM 1673 N GLN A 99 6.690 4.537 -3.835 1.00 71.41 N ATOM 1674 CA GLN A 99 7.532 5.744 -4.006 1.00 71.33 C ATOM 1675 C GLN A 99 7.348 6.367 -5.410 1.00 23.44 C ATOM 1676 O GLN A 99 7.269 7.592 -5.546 1.00 30.05 O ATOM 1677 CB GLN A 99 9.025 5.400 -3.735 1.00 14.20 C ATOM 1678 CG GLN A 99 9.344 5.070 -2.258 1.00 4.55 C ATOM 1679 CD GLN A 99 10.825 4.813 -1.967 1.00 12.45 C ATOM 1680 OE1 GLN A 99 11.709 5.333 -2.644 1.00 74.22 O ATOM 1681 NE2 GLN A 99 11.107 4.057 -0.921 1.00 34.02 N ATOM 0 H GLN A 99 7.226 3.669 -3.822 1.00 71.41 H new ATOM 0 HA GLN A 99 7.211 6.489 -3.278 1.00 71.33 H new ATOM 0 HB2 GLN A 99 9.308 4.549 -4.355 1.00 14.20 H new ATOM 0 HB3 GLN A 99 9.642 6.242 -4.049 1.00 14.20 H new ATOM 0 HG2 GLN A 99 9.003 5.895 -1.633 1.00 4.55 H new ATOM 0 HG3 GLN A 99 8.772 4.190 -1.964 1.00 4.55 H new ATOM 0 HE21 GLN A 99 10.353 3.638 -0.377 1.00 34.02 H new ATOM 0 HE22 GLN A 99 12.079 3.893 -0.658 1.00 34.02 H new ATOM 1690 N GLU A 100 7.275 5.501 -6.440 1.00 4.22 N ATOM 1691 CA GLU A 100 6.958 5.907 -7.832 1.00 20.23 C ATOM 1692 C GLU A 100 5.551 6.535 -7.923 1.00 64.30 C ATOM 1693 O GLU A 100 5.346 7.526 -8.623 1.00 23.12 O ATOM 1694 CB GLU A 100 7.032 4.681 -8.781 1.00 1.21 C ATOM 1695 CG GLU A 100 8.450 4.138 -9.028 1.00 11.44 C ATOM 1696 CD GLU A 100 8.465 2.842 -9.857 1.00 24.45 C ATOM 1697 OE1 GLU A 100 8.035 2.875 -11.029 1.00 45.50 O ATOM 1698 OE2 GLU A 100 8.900 1.787 -9.342 1.00 31.44 O ATOM 0 H GLU A 100 7.434 4.499 -6.335 1.00 4.22 H new ATOM 0 HA GLU A 100 7.695 6.651 -8.135 1.00 20.23 H new ATOM 0 HB2 GLU A 100 6.419 3.881 -8.366 1.00 1.21 H new ATOM 0 HB3 GLU A 100 6.591 4.955 -9.740 1.00 1.21 H new ATOM 0 HG2 GLU A 100 9.039 4.898 -9.542 1.00 11.44 H new ATOM 0 HG3 GLU A 100 8.934 3.954 -8.069 1.00 11.44 H new ATOM 1705 N PHE A 101 4.598 5.941 -7.196 1.00 24.13 N ATOM 1706 CA PHE A 101 3.205 6.410 -7.180 1.00 31.12 C ATOM 1707 C PHE A 101 3.079 7.777 -6.467 1.00 62.11 C ATOM 1708 O PHE A 101 2.483 8.695 -7.017 1.00 51.35 O ATOM 1709 CB PHE A 101 2.276 5.358 -6.519 1.00 53.43 C ATOM 1710 CG PHE A 101 0.814 5.807 -6.447 1.00 74.54 C ATOM 1711 CD1 PHE A 101 0.052 5.946 -7.609 1.00 60.02 C ATOM 1712 CD2 PHE A 101 0.218 6.141 -5.228 1.00 52.34 C ATOM 1713 CE1 PHE A 101 -1.252 6.402 -7.553 1.00 55.14 C ATOM 1714 CE2 PHE A 101 -1.081 6.605 -5.179 1.00 44.01 C ATOM 1715 CZ PHE A 101 -1.817 6.732 -6.338 1.00 33.54 C ATOM 0 H PHE A 101 4.767 5.127 -6.605 1.00 24.13 H new ATOM 0 HA PHE A 101 2.889 6.544 -8.215 1.00 31.12 H new ATOM 0 HB2 PHE A 101 2.336 4.426 -7.080 1.00 53.43 H new ATOM 0 HB3 PHE A 101 2.635 5.147 -5.512 1.00 53.43 H new ATOM 0 HD1 PHE A 101 0.487 5.694 -8.565 1.00 60.02 H new ATOM 0 HD2 PHE A 101 0.781 6.035 -4.313 1.00 52.34 H new ATOM 0 HE1 PHE A 101 -1.829 6.500 -8.461 1.00 55.14 H new ATOM 0 HE2 PHE A 101 -1.522 6.870 -4.230 1.00 44.01 H new ATOM 0 HZ PHE A 101 -2.835 7.090 -6.295 1.00 33.54 H new ATOM 1725 N SER A 102 3.663 7.888 -5.256 1.00 43.22 N ATOM 1726 CA SER A 102 3.523 9.083 -4.377 1.00 32.44 C ATOM 1727 C SER A 102 3.970 10.392 -5.071 1.00 71.11 C ATOM 1728 O SER A 102 3.327 11.439 -4.917 1.00 65.42 O ATOM 1729 CB SER A 102 4.324 8.883 -3.072 1.00 11.21 C ATOM 1730 OG SER A 102 5.710 8.747 -3.337 1.00 60.54 O ATOM 0 H SER A 102 4.247 7.155 -4.854 1.00 43.22 H new ATOM 0 HA SER A 102 2.462 9.184 -4.149 1.00 32.44 H new ATOM 0 HB2 SER A 102 4.160 9.731 -2.408 1.00 11.21 H new ATOM 0 HB3 SER A 102 3.962 7.996 -2.552 1.00 11.21 H new ATOM 0 HG SER A 102 6.163 8.402 -2.540 1.00 60.54 H new ATOM 1736 N GLU A 103 5.073 10.313 -5.836 1.00 64.11 N ATOM 1737 CA GLU A 103 5.605 11.460 -6.612 1.00 73.02 C ATOM 1738 C GLU A 103 4.791 11.706 -7.917 1.00 12.10 C ATOM 1739 O GLU A 103 4.688 12.845 -8.388 1.00 60.44 O ATOM 1740 CB GLU A 103 7.107 11.228 -6.929 1.00 23.22 C ATOM 1741 CG GLU A 103 7.400 9.990 -7.803 1.00 25.42 C ATOM 1742 CD GLU A 103 8.898 9.722 -8.011 1.00 1.10 C ATOM 1743 OE1 GLU A 103 9.493 10.288 -8.956 1.00 4.35 O ATOM 1744 OE2 GLU A 103 9.493 8.949 -7.229 1.00 21.43 O ATOM 0 H GLU A 103 5.622 9.459 -5.937 1.00 64.11 H new ATOM 0 HA GLU A 103 5.504 12.358 -6.003 1.00 73.02 H new ATOM 0 HB2 GLU A 103 7.498 12.112 -7.433 1.00 23.22 H new ATOM 0 HB3 GLU A 103 7.651 11.129 -5.990 1.00 23.22 H new ATOM 0 HG2 GLU A 103 6.944 9.114 -7.342 1.00 25.42 H new ATOM 0 HG3 GLU A 103 6.925 10.122 -8.775 1.00 25.42 H new ATOM 1751 N ASN A 104 4.209 10.630 -8.495 1.00 3.22 N ATOM 1752 CA ASN A 104 3.387 10.710 -9.737 1.00 64.02 C ATOM 1753 C ASN A 104 1.858 10.687 -9.429 1.00 45.40 C ATOM 1754 O ASN A 104 1.055 10.238 -10.256 1.00 5.24 O ATOM 1755 CB ASN A 104 3.774 9.567 -10.725 1.00 70.12 C ATOM 1756 CG ASN A 104 5.131 9.794 -11.405 1.00 3.24 C ATOM 1757 OD1 ASN A 104 5.218 10.431 -12.451 1.00 45.43 O ATOM 1758 ND2 ASN A 104 6.199 9.279 -10.827 1.00 22.34 N ATOM 0 H ASN A 104 4.292 9.685 -8.121 1.00 3.22 H new ATOM 0 HA ASN A 104 3.603 11.667 -10.211 1.00 64.02 H new ATOM 0 HB2 ASN A 104 3.799 8.621 -10.185 1.00 70.12 H new ATOM 0 HB3 ASN A 104 3.002 9.478 -11.489 1.00 70.12 H new ATOM 0 HD21 ASN A 104 7.119 9.407 -11.249 1.00 22.34 H new ATOM 0 HD22 ASN A 104 6.105 8.753 -9.958 1.00 22.34 H new ATOM 1765 N LYS A 105 1.451 11.232 -8.258 1.00 55.01 N ATOM 1766 CA LYS A 105 0.017 11.513 -7.939 1.00 4.15 C ATOM 1767 C LYS A 105 -0.439 12.850 -8.596 1.00 25.52 C ATOM 1768 O LYS A 105 -1.186 13.637 -8.009 1.00 13.01 O ATOM 1769 CB LYS A 105 -0.206 11.538 -6.396 1.00 10.15 C ATOM 1770 CG LYS A 105 0.046 10.179 -5.705 1.00 23.33 C ATOM 1771 CD LYS A 105 -0.135 10.201 -4.161 1.00 41.52 C ATOM 1772 CE LYS A 105 -1.594 10.038 -3.687 1.00 31.33 C ATOM 1773 NZ LYS A 105 -2.480 11.143 -4.127 1.00 20.42 N ATOM 0 H LYS A 105 2.095 11.490 -7.510 1.00 55.01 H new ATOM 0 HA LYS A 105 -0.594 10.711 -8.353 1.00 4.15 H new ATOM 0 HB2 LYS A 105 0.453 12.286 -5.956 1.00 10.15 H new ATOM 0 HB3 LYS A 105 -1.229 11.854 -6.192 1.00 10.15 H new ATOM 0 HG2 LYS A 105 -0.633 9.439 -6.128 1.00 23.33 H new ATOM 0 HG3 LYS A 105 1.059 9.850 -5.935 1.00 23.33 H new ATOM 0 HD2 LYS A 105 0.467 9.403 -3.726 1.00 41.52 H new ATOM 0 HD3 LYS A 105 0.256 11.142 -3.775 1.00 41.52 H new ATOM 0 HE2 LYS A 105 -1.988 9.094 -4.063 1.00 31.33 H new ATOM 0 HE3 LYS A 105 -1.611 9.979 -2.599 1.00 31.33 H new ATOM 0 HZ1 LYS A 105 -3.238 11.280 -3.428 1.00 20.42 H new ATOM 0 HZ2 LYS A 105 -1.926 12.019 -4.213 1.00 20.42 H new ATOM 0 HZ3 LYS A 105 -2.898 10.906 -5.049 1.00 20.42 H new ATOM 1787 N GLU A 106 -0.013 13.062 -9.858 1.00 64.42 N ATOM 1788 CA GLU A 106 -0.308 14.274 -10.654 1.00 22.51 C ATOM 1789 C GLU A 106 -1.495 14.028 -11.623 1.00 75.54 C ATOM 1790 O GLU A 106 -1.782 14.850 -12.500 1.00 24.21 O ATOM 1791 CB GLU A 106 0.974 14.703 -11.425 1.00 52.21 C ATOM 1792 CG GLU A 106 2.204 14.944 -10.518 1.00 53.54 C ATOM 1793 CD GLU A 106 3.445 15.428 -11.284 1.00 15.42 C ATOM 1794 OE1 GLU A 106 3.574 16.649 -11.516 1.00 51.21 O ATOM 1795 OE2 GLU A 106 4.292 14.592 -11.674 1.00 22.31 O ATOM 0 H GLU A 106 0.557 12.383 -10.363 1.00 64.42 H new ATOM 0 HA GLU A 106 -0.605 15.081 -9.985 1.00 22.51 H new ATOM 0 HB2 GLU A 106 1.220 13.933 -12.156 1.00 52.21 H new ATOM 0 HB3 GLU A 106 0.762 15.616 -11.982 1.00 52.21 H new ATOM 0 HG2 GLU A 106 1.946 15.681 -9.758 1.00 53.54 H new ATOM 0 HG3 GLU A 106 2.447 14.019 -9.996 1.00 53.54 H new ATOM 1802 N LYS A 107 -2.192 12.886 -11.432 1.00 21.24 N ATOM 1803 CA LYS A 107 -3.462 12.566 -12.135 1.00 41.34 C ATOM 1804 C LYS A 107 -4.646 13.335 -11.486 1.00 13.31 C ATOM 1805 O LYS A 107 -5.745 13.419 -12.041 1.00 52.11 O ATOM 1806 CB LYS A 107 -3.725 11.026 -12.093 1.00 5.52 C ATOM 1807 CG LYS A 107 -2.516 10.131 -12.495 1.00 75.00 C ATOM 1808 CD LYS A 107 -1.899 10.491 -13.874 1.00 73.31 C ATOM 1809 CE LYS A 107 -2.881 10.330 -15.051 1.00 31.32 C ATOM 1810 NZ LYS A 107 -2.273 10.747 -16.337 1.00 42.03 N ATOM 0 H LYS A 107 -1.892 12.156 -10.785 1.00 21.24 H new ATOM 0 HA LYS A 107 -3.376 12.878 -13.176 1.00 41.34 H new ATOM 0 HB2 LYS A 107 -4.036 10.755 -11.084 1.00 5.52 H new ATOM 0 HB3 LYS A 107 -4.560 10.799 -12.756 1.00 5.52 H new ATOM 0 HG2 LYS A 107 -1.744 10.214 -11.730 1.00 75.00 H new ATOM 0 HG3 LYS A 107 -2.837 9.090 -12.512 1.00 75.00 H new ATOM 0 HD2 LYS A 107 -1.544 11.521 -13.846 1.00 73.31 H new ATOM 0 HD3 LYS A 107 -1.028 9.859 -14.049 1.00 73.31 H new ATOM 0 HE2 LYS A 107 -3.198 9.290 -15.120 1.00 31.32 H new ATOM 0 HE3 LYS A 107 -3.775 10.924 -14.862 1.00 31.32 H new ATOM 0 HZ1 LYS A 107 -2.964 10.624 -17.104 1.00 42.03 H new ATOM 0 HZ2 LYS A 107 -1.993 11.747 -16.280 1.00 42.03 H new ATOM 0 HZ3 LYS A 107 -1.434 10.163 -16.530 1.00 42.03 H new ATOM 1824 N GLU A 108 -4.369 13.898 -10.304 1.00 10.33 N ATOM 1825 CA GLU A 108 -5.328 14.639 -9.460 1.00 74.32 C ATOM 1826 C GLU A 108 -4.735 16.016 -9.065 1.00 44.34 C ATOM 1827 O GLU A 108 -3.555 16.297 -9.335 1.00 25.11 O ATOM 1828 CB GLU A 108 -5.619 13.797 -8.192 1.00 65.14 C ATOM 1829 CG GLU A 108 -4.360 13.542 -7.335 1.00 1.32 C ATOM 1830 CD GLU A 108 -4.583 12.574 -6.171 1.00 10.32 C ATOM 1831 OE1 GLU A 108 -5.076 13.012 -5.114 1.00 50.14 O ATOM 1832 OE2 GLU A 108 -4.266 11.370 -6.308 1.00 62.24 O ATOM 0 H GLU A 108 -3.438 13.851 -9.889 1.00 10.33 H new ATOM 0 HA GLU A 108 -6.253 14.811 -10.010 1.00 74.32 H new ATOM 0 HB2 GLU A 108 -6.367 14.309 -7.586 1.00 65.14 H new ATOM 0 HB3 GLU A 108 -6.050 12.841 -8.489 1.00 65.14 H new ATOM 0 HG2 GLU A 108 -3.571 13.148 -7.976 1.00 1.32 H new ATOM 0 HG3 GLU A 108 -4.004 14.493 -6.940 1.00 1.32 H new ATOM 1839 N ILE A 109 -5.546 16.879 -8.420 1.00 31.55 N ATOM 1840 CA ILE A 109 -5.080 18.208 -7.948 1.00 40.41 C ATOM 1841 C ILE A 109 -4.748 18.175 -6.438 1.00 45.03 C ATOM 1842 O ILE A 109 -3.726 17.618 -6.020 1.00 3.20 O ATOM 1843 CB ILE A 109 -6.133 19.341 -8.251 1.00 25.13 C ATOM 1844 CG1 ILE A 109 -7.448 19.143 -7.423 1.00 61.11 C ATOM 1845 CG2 ILE A 109 -6.435 19.403 -9.772 1.00 21.33 C ATOM 1846 CD1 ILE A 109 -8.472 20.260 -7.573 1.00 11.32 C ATOM 0 H ILE A 109 -6.525 16.684 -8.212 1.00 31.55 H new ATOM 0 HA ILE A 109 -4.170 18.442 -8.501 1.00 40.41 H new ATOM 0 HB ILE A 109 -5.700 20.293 -7.944 1.00 25.13 H new ATOM 0 HG12 ILE A 109 -7.911 18.203 -7.722 1.00 61.11 H new ATOM 0 HG13 ILE A 109 -7.186 19.048 -6.369 1.00 61.11 H new ATOM 0 HG21 ILE A 109 -7.164 20.190 -9.966 1.00 21.33 H new ATOM 0 HG22 ILE A 109 -5.516 19.617 -10.317 1.00 21.33 H new ATOM 0 HG23 ILE A 109 -6.838 18.446 -10.102 1.00 21.33 H new ATOM 0 HD11 ILE A 109 -9.347 20.035 -6.964 1.00 11.32 H new ATOM 0 HD12 ILE A 109 -8.033 21.202 -7.244 1.00 11.32 H new ATOM 0 HD13 ILE A 109 -8.769 20.343 -8.618 1.00 11.32 H new TER 1858 ILE A 109