USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 799 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 78 GLN : amide:sc= -16.2! C(o=-22!,f=-33!) USER MOD Set 1.2: A 126 MET CE :methyl 139:sc= -6.11! (180deg=-8.79!) USER MOD Set 2.1: A 118 THR OG1 : rot 180:sc= -0.0168 USER MOD Set 2.2: A 123 HIS : no HD1:sc= -14.6! C(o=-15!,f=-20!) USER MOD Set 3.1: A 60 SER OG : rot -124:sc= -0.741! USER MOD Set 3.2: A 62 MET CE :methyl 158:sc= -3.15! (180deg=-4.38!) USER MOD Set 4.1: A 57 LYS NZ :NH3+ -172:sc= 0.865 (180deg=-0.292) USER MOD Set 4.2: A 71 TYR OH : rot 30:sc= 0.763 USER MOD Set 5.1: A 45 CYS SG : rot 80:sc= -8.44! USER MOD Set 5.2: A 48 HIS : no HD1:sc= -6.32! C(o=-15!,f=-27!) USER MOD Set 6.1: A 47 LYS NZ :NH3+ -165:sc= -0.89 (180deg=-1.48!) USER MOD Set 6.2: A 50 LYS NZ :NH3+ 149:sc= 0.33 (180deg=-2.56!) USER MOD Set 6.3: A 70 GLN : amide:sc= -6.51! K(o=-7.1!,f=-8.1) USER MOD Single : A 29 SER OG : rot 62:sc= 1.13 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.761 K(o=-0.76,f=-2.9!) USER MOD Single : A 39 LYS NZ :NH3+ 145:sc= -2.41! (180deg=-5.04!) USER MOD Single : A 42 HIS : no HE2:sc= -19! C(o=-19!,f=-20!) USER MOD Single : A 52 MET CE :methyl 153:sc= -11.5! (180deg=-16.2!) USER MOD Single : A 55 MET CE :methyl -138:sc= -8.28! (180deg=-12.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -3.33! C(o=-3.3!,f=-3.1!) USER MOD Single : A 72 SER OG : rot 119:sc= -2.21! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -164:sc= 0 (180deg=-0.293) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.804 K(o=-0.8,f=-2.1) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00303) USER MOD Single : A 112 THR OG1 : rot -100:sc= -0.299 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0484) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 28 89.837 -16.334 8.501 1.00 0.00 N ATOM 2 CA GLY A 28 89.092 -17.623 8.571 1.00 0.00 C ATOM 3 C GLY A 28 89.258 -18.380 7.252 1.00 0.00 C ATOM 4 O GLY A 28 88.401 -19.143 6.851 1.00 0.00 O ATOM 0 HA2 GLY A 28 89.465 -18.227 9.398 1.00 0.00 H new ATOM 0 HA3 GLY A 28 88.036 -17.435 8.764 1.00 0.00 H new ATOM 10 N SER A 29 90.354 -18.175 6.574 1.00 0.00 N ATOM 11 CA SER A 29 90.575 -18.882 5.280 1.00 0.00 C ATOM 12 C SER A 29 91.147 -20.281 5.531 1.00 0.00 C ATOM 13 O SER A 29 92.343 -20.464 5.636 1.00 0.00 O ATOM 14 CB SER A 29 91.586 -18.019 4.525 1.00 0.00 C ATOM 15 OG SER A 29 92.846 -18.088 5.176 1.00 0.00 O ATOM 0 H SER A 29 91.106 -17.548 6.860 1.00 0.00 H new ATOM 0 HA SER A 29 89.650 -19.013 4.719 1.00 0.00 H new ATOM 0 HB2 SER A 29 91.677 -18.364 3.495 1.00 0.00 H new ATOM 0 HB3 SER A 29 91.241 -16.986 4.486 1.00 0.00 H new ATOM 0 HG SER A 29 93.170 -19.013 5.165 1.00 0.00 H new ATOM 21 N GLY A 30 90.299 -21.270 5.628 1.00 0.00 N ATOM 22 CA GLY A 30 90.796 -22.653 5.871 1.00 0.00 C ATOM 23 C GLY A 30 91.249 -23.272 4.544 1.00 0.00 C ATOM 24 O GLY A 30 91.059 -22.687 3.496 1.00 0.00 O ATOM 0 H GLY A 30 89.286 -21.179 5.550 1.00 0.00 H new ATOM 0 HA2 GLY A 30 91.625 -22.634 6.578 1.00 0.00 H new ATOM 0 HA3 GLY A 30 90.009 -23.261 6.319 1.00 0.00 H new ATOM 28 N PRO A 31 91.835 -24.442 4.628 1.00 0.00 N ATOM 29 CA PRO A 31 92.316 -25.142 3.414 1.00 0.00 C ATOM 30 C PRO A 31 91.152 -25.418 2.457 1.00 0.00 C ATOM 31 O PRO A 31 91.317 -25.445 1.254 1.00 0.00 O ATOM 32 CB PRO A 31 92.886 -26.446 3.982 1.00 0.00 C ATOM 33 CG PRO A 31 92.710 -26.439 5.513 1.00 0.00 C ATOM 34 CD PRO A 31 92.045 -25.120 5.930 1.00 0.00 C ATOM 0 HA PRO A 31 93.044 -24.571 2.837 1.00 0.00 H new ATOM 0 HB2 PRO A 31 92.373 -27.303 3.547 1.00 0.00 H new ATOM 0 HB3 PRO A 31 93.941 -26.541 3.724 1.00 0.00 H new ATOM 0 HG2 PRO A 31 92.098 -27.285 5.826 1.00 0.00 H new ATOM 0 HG3 PRO A 31 93.677 -26.546 6.004 1.00 0.00 H new ATOM 0 HD2 PRO A 31 91.105 -25.288 6.457 1.00 0.00 H new ATOM 0 HD3 PRO A 31 92.683 -24.536 6.594 1.00 0.00 H new ATOM 42 N LYS A 32 89.975 -25.622 2.985 1.00 0.00 N ATOM 43 CA LYS A 32 88.800 -25.895 2.108 1.00 0.00 C ATOM 44 C LYS A 32 87.570 -25.144 2.626 1.00 0.00 C ATOM 45 O LYS A 32 87.358 -25.030 3.816 1.00 0.00 O ATOM 46 CB LYS A 32 88.582 -27.405 2.195 1.00 0.00 C ATOM 47 CG LYS A 32 87.637 -27.849 1.077 1.00 0.00 C ATOM 48 CD LYS A 32 87.633 -29.376 0.989 1.00 0.00 C ATOM 49 CE LYS A 32 86.301 -29.913 1.515 1.00 0.00 C ATOM 50 NZ LYS A 32 86.665 -31.116 2.317 1.00 0.00 N ATOM 0 H LYS A 32 89.776 -25.611 3.985 1.00 0.00 H new ATOM 0 HA LYS A 32 88.965 -25.567 1.082 1.00 0.00 H new ATOM 0 HB2 LYS A 32 89.535 -27.926 2.108 1.00 0.00 H new ATOM 0 HB3 LYS A 32 88.162 -27.667 3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 32 86.629 -27.483 1.271 1.00 0.00 H new ATOM 0 HG3 LYS A 32 87.954 -27.420 0.126 1.00 0.00 H new ATOM 0 HD2 LYS A 32 87.783 -29.692 -0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 32 88.458 -29.787 1.571 1.00 0.00 H new ATOM 0 HE2 LYS A 32 85.789 -29.170 2.127 1.00 0.00 H new ATOM 0 HE3 LYS A 32 85.628 -30.171 0.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 85.803 -31.543 2.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 87.145 -31.808 1.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 87.301 -30.838 3.092 1.00 0.00 H new ATOM 64 N GLY A 33 86.759 -24.632 1.741 1.00 0.00 N ATOM 65 CA GLY A 33 85.545 -23.893 2.187 1.00 0.00 C ATOM 66 C GLY A 33 85.938 -22.479 2.622 1.00 0.00 C ATOM 67 O GLY A 33 85.799 -22.110 3.771 1.00 0.00 O ATOM 0 H GLY A 33 86.884 -24.693 0.731 1.00 0.00 H new ATOM 0 HA2 GLY A 33 84.817 -23.846 1.377 1.00 0.00 H new ATOM 0 HA3 GLY A 33 85.069 -24.420 3.014 1.00 0.00 H new ATOM 71 N GLY A 34 86.428 -21.683 1.710 1.00 0.00 N ATOM 72 CA GLY A 34 86.828 -20.294 2.071 1.00 0.00 C ATOM 73 C GLY A 34 85.961 -19.297 1.300 1.00 0.00 C ATOM 74 O GLY A 34 84.757 -19.438 1.221 1.00 0.00 O ATOM 0 H GLY A 34 86.568 -21.935 0.732 1.00 0.00 H new ATOM 0 HA2 GLY A 34 86.713 -20.138 3.144 1.00 0.00 H new ATOM 0 HA3 GLY A 34 87.880 -20.135 1.836 1.00 0.00 H new ATOM 78 N GLY A 35 86.563 -18.288 0.731 1.00 0.00 N ATOM 79 CA GLY A 35 85.771 -17.284 -0.034 1.00 0.00 C ATOM 80 C GLY A 35 85.275 -16.194 0.918 1.00 0.00 C ATOM 81 O GLY A 35 86.011 -15.699 1.748 1.00 0.00 O ATOM 0 H GLY A 35 87.568 -18.116 0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 35 86.384 -16.844 -0.820 1.00 0.00 H new ATOM 0 HA3 GLY A 35 84.925 -17.768 -0.523 1.00 0.00 H new ATOM 85 N ASN A 36 84.030 -15.816 0.805 1.00 0.00 N ATOM 86 CA ASN A 36 83.486 -14.759 1.705 1.00 0.00 C ATOM 87 C ASN A 36 84.264 -13.453 1.524 1.00 0.00 C ATOM 88 O ASN A 36 84.148 -12.535 2.311 1.00 0.00 O ATOM 89 CB ASN A 36 83.684 -15.305 3.118 1.00 0.00 C ATOM 90 CG ASN A 36 83.170 -16.744 3.186 1.00 0.00 C ATOM 91 OD1 ASN A 36 82.455 -17.189 2.310 1.00 0.00 O ATOM 92 ND2 ASN A 36 83.507 -17.496 4.198 1.00 0.00 N ATOM 0 H ASN A 36 83.367 -16.193 0.128 1.00 0.00 H new ATOM 0 HA ASN A 36 82.440 -14.537 1.493 1.00 0.00 H new ATOM 0 HB2 ASN A 36 84.740 -15.272 3.388 1.00 0.00 H new ATOM 0 HB3 ASN A 36 83.151 -14.683 3.838 1.00 0.00 H new ATOM 0 HD21 ASN A 36 83.170 -18.457 4.254 1.00 0.00 H new ATOM 0 HD22 ASN A 36 84.107 -17.123 4.933 1.00 0.00 H new ATOM 99 N ALA A 37 85.053 -13.362 0.489 1.00 0.00 N ATOM 100 CA ALA A 37 85.836 -12.120 0.251 1.00 0.00 C ATOM 101 C ALA A 37 85.130 -11.262 -0.797 1.00 0.00 C ATOM 102 O ALA A 37 84.600 -11.772 -1.756 1.00 0.00 O ATOM 103 CB ALA A 37 87.191 -12.599 -0.272 1.00 0.00 C ATOM 0 H ALA A 37 85.189 -14.098 -0.204 1.00 0.00 H new ATOM 0 HA ALA A 37 85.942 -11.513 1.150 1.00 0.00 H new ATOM 0 HB1 ALA A 37 87.829 -11.738 -0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 37 87.665 -13.236 0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 37 87.046 -13.165 -1.192 1.00 0.00 H new ATOM 109 N VAL A 38 85.098 -9.972 -0.599 1.00 0.00 N ATOM 110 CA VAL A 38 84.415 -9.062 -1.575 1.00 0.00 C ATOM 111 C VAL A 38 85.093 -7.684 -1.556 1.00 0.00 C ATOM 112 O VAL A 38 85.618 -7.282 -0.536 1.00 0.00 O ATOM 113 CB VAL A 38 82.968 -8.969 -1.076 1.00 0.00 C ATOM 114 CG1 VAL A 38 82.474 -10.357 -0.661 1.00 0.00 C ATOM 115 CG2 VAL A 38 82.893 -8.024 0.126 1.00 0.00 C ATOM 0 H VAL A 38 85.518 -9.502 0.203 1.00 0.00 H new ATOM 0 HA VAL A 38 84.463 -9.426 -2.601 1.00 0.00 H new ATOM 0 HB VAL A 38 82.340 -8.584 -1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 38 81.445 -10.286 -0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 38 82.518 -11.030 -1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 38 83.107 -10.745 0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 38 81.863 -7.962 0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 38 83.526 -8.404 0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 38 83.236 -7.032 -0.169 1.00 0.00 H new ATOM 125 N LYS A 39 85.100 -6.930 -2.639 1.00 0.00 N ATOM 126 CA LYS A 39 85.767 -5.599 -2.550 1.00 0.00 C ATOM 127 C LYS A 39 84.748 -4.556 -2.085 1.00 0.00 C ATOM 128 O LYS A 39 84.035 -3.967 -2.868 1.00 0.00 O ATOM 129 CB LYS A 39 86.221 -5.302 -3.966 1.00 0.00 C ATOM 130 CG LYS A 39 87.225 -4.151 -3.952 1.00 0.00 C ATOM 131 CD LYS A 39 88.311 -4.446 -2.915 1.00 0.00 C ATOM 132 CE LYS A 39 89.683 -4.061 -3.477 1.00 0.00 C ATOM 133 NZ LYS A 39 89.476 -2.743 -4.143 1.00 0.00 N ATOM 0 H LYS A 39 84.689 -7.171 -3.541 1.00 0.00 H new ATOM 0 HA LYS A 39 86.598 -5.584 -1.845 1.00 0.00 H new ATOM 0 HB2 LYS A 39 86.676 -6.189 -4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.363 -5.042 -4.587 1.00 0.00 H new ATOM 0 HG2 LYS A 39 87.671 -4.029 -4.939 1.00 0.00 H new ATOM 0 HG3 LYS A 39 86.721 -3.215 -3.712 1.00 0.00 H new ATOM 0 HD2 LYS A 39 88.113 -3.889 -1.999 1.00 0.00 H new ATOM 0 HD3 LYS A 39 88.299 -5.504 -2.653 1.00 0.00 H new ATOM 0 HE2 LYS A 39 90.427 -3.989 -2.684 1.00 0.00 H new ATOM 0 HE3 LYS A 39 90.042 -4.808 -4.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 90.327 -2.157 -4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 89.296 -2.891 -5.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 88.661 -2.261 -3.713 1.00 0.00 H new ATOM 147 N VAL A 40 84.659 -4.354 -0.801 1.00 0.00 N ATOM 148 CA VAL A 40 83.658 -3.389 -0.261 1.00 0.00 C ATOM 149 C VAL A 40 84.271 -2.020 0.055 1.00 0.00 C ATOM 150 O VAL A 40 85.265 -1.913 0.746 1.00 0.00 O ATOM 151 CB VAL A 40 83.163 -4.050 1.025 1.00 0.00 C ATOM 152 CG1 VAL A 40 84.336 -4.227 1.992 1.00 0.00 C ATOM 153 CG2 VAL A 40 82.096 -3.168 1.675 1.00 0.00 C ATOM 0 H VAL A 40 85.237 -4.816 -0.099 1.00 0.00 H new ATOM 0 HA VAL A 40 82.868 -3.192 -0.986 1.00 0.00 H new ATOM 0 HB VAL A 40 82.735 -5.024 0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 40 83.983 -4.698 2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 40 85.097 -4.856 1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 40 84.765 -3.253 2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 40 81.743 -3.640 2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 40 82.523 -2.193 1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 40 81.260 -3.042 0.987 1.00 0.00 H new ATOM 163 N ARG A 41 83.646 -0.970 -0.412 1.00 0.00 N ATOM 164 CA ARG A 41 84.140 0.405 -0.108 1.00 0.00 C ATOM 165 C ARG A 41 83.278 0.973 1.021 1.00 0.00 C ATOM 166 O ARG A 41 82.127 0.607 1.164 1.00 0.00 O ATOM 167 CB ARG A 41 83.953 1.210 -1.394 1.00 0.00 C ATOM 168 CG ARG A 41 84.485 0.407 -2.583 1.00 0.00 C ATOM 169 CD ARG A 41 85.432 1.284 -3.407 1.00 0.00 C ATOM 170 NE ARG A 41 85.832 0.432 -4.561 1.00 0.00 N ATOM 171 CZ ARG A 41 85.992 0.966 -5.742 1.00 0.00 C ATOM 172 NH1 ARG A 41 84.960 1.155 -6.517 1.00 0.00 N ATOM 173 NH2 ARG A 41 87.184 1.311 -6.146 1.00 0.00 N ATOM 0 H ARG A 41 82.809 -1.007 -0.994 1.00 0.00 H new ATOM 0 HA ARG A 41 85.183 0.429 0.207 1.00 0.00 H new ATOM 0 HB2 ARG A 41 82.898 1.441 -1.541 1.00 0.00 H new ATOM 0 HB3 ARG A 41 84.480 2.161 -1.320 1.00 0.00 H new ATOM 0 HG2 ARG A 41 85.009 -0.481 -2.231 1.00 0.00 H new ATOM 0 HG3 ARG A 41 83.657 0.064 -3.204 1.00 0.00 H new ATOM 0 HD2 ARG A 41 84.937 2.196 -3.741 1.00 0.00 H new ATOM 0 HD3 ARG A 41 86.299 1.589 -2.821 1.00 0.00 H new ATOM 0 HE ARG A 41 85.981 -0.568 -4.429 1.00 0.00 H new ATOM 0 HH11 ARG A 41 84.028 0.886 -6.201 1.00 0.00 H new ATOM 0 HH12 ARG A 41 85.085 1.572 -7.439 1.00 0.00 H new ATOM 0 HH21 ARG A 41 87.991 1.164 -5.539 1.00 0.00 H new ATOM 0 HH22 ARG A 41 87.309 1.728 -7.068 1.00 0.00 H new ATOM 187 N HIS A 42 83.811 1.832 1.847 1.00 0.00 N ATOM 188 CA HIS A 42 82.987 2.357 2.975 1.00 0.00 C ATOM 189 C HIS A 42 82.786 3.873 2.900 1.00 0.00 C ATOM 190 O HIS A 42 83.684 4.625 2.577 1.00 0.00 O ATOM 191 CB HIS A 42 83.775 1.986 4.227 1.00 0.00 C ATOM 192 CG HIS A 42 84.076 0.513 4.197 1.00 0.00 C ATOM 193 ND1 HIS A 42 83.752 -0.331 5.247 1.00 0.00 N ATOM 194 CD2 HIS A 42 84.667 -0.280 3.246 1.00 0.00 C ATOM 195 CE1 HIS A 42 84.145 -1.572 4.904 1.00 0.00 C ATOM 196 NE2 HIS A 42 84.710 -1.597 3.694 1.00 0.00 N ATOM 0 H HIS A 42 84.765 2.189 1.793 1.00 0.00 H new ATOM 0 HA HIS A 42 81.983 1.934 2.958 1.00 0.00 H new ATOM 0 HB2 HIS A 42 84.701 2.559 4.272 1.00 0.00 H new ATOM 0 HB3 HIS A 42 83.202 2.235 5.120 1.00 0.00 H new ATOM 0 HD1 HIS A 42 83.299 -0.061 6.120 1.00 0.00 H new ATOM 0 HD2 HIS A 42 85.042 0.065 2.294 1.00 0.00 H new ATOM 0 HE1 HIS A 42 84.019 -2.442 5.531 1.00 0.00 H new ATOM 204 N ILE A 43 81.600 4.313 3.228 1.00 0.00 N ATOM 205 CA ILE A 43 81.284 5.771 3.221 1.00 0.00 C ATOM 206 C ILE A 43 80.221 6.048 4.289 1.00 0.00 C ATOM 207 O ILE A 43 79.106 5.579 4.190 1.00 0.00 O ATOM 208 CB ILE A 43 80.722 6.054 1.828 1.00 0.00 C ATOM 209 CG1 ILE A 43 81.851 6.013 0.797 1.00 0.00 C ATOM 210 CG2 ILE A 43 80.071 7.438 1.813 1.00 0.00 C ATOM 211 CD1 ILE A 43 81.267 6.275 -0.594 1.00 0.00 C ATOM 0 H ILE A 43 80.824 3.712 3.505 1.00 0.00 H new ATOM 0 HA ILE A 43 82.152 6.395 3.435 1.00 0.00 H new ATOM 0 HB ILE A 43 79.979 5.297 1.579 1.00 0.00 H new ATOM 0 HG12 ILE A 43 82.606 6.762 1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 43 82.347 5.043 0.820 1.00 0.00 H new ATOM 0 HG21 ILE A 43 79.670 7.641 0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 43 79.263 7.468 2.544 1.00 0.00 H new ATOM 0 HG23 ILE A 43 80.816 8.193 2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 43 82.066 6.247 -1.335 1.00 0.00 H new ATOM 0 HD12 ILE A 43 80.528 5.509 -0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 43 80.791 7.255 -0.610 1.00 0.00 H new ATOM 223 N LEU A 44 80.548 6.784 5.320 1.00 0.00 N ATOM 224 CA LEU A 44 79.533 7.043 6.376 1.00 0.00 C ATOM 225 C LEU A 44 79.202 8.538 6.441 1.00 0.00 C ATOM 226 O LEU A 44 80.072 9.381 6.387 1.00 0.00 O ATOM 227 CB LEU A 44 80.207 6.543 7.669 1.00 0.00 C ATOM 228 CG LEU A 44 79.967 7.520 8.828 1.00 0.00 C ATOM 229 CD1 LEU A 44 78.465 7.747 9.011 1.00 0.00 C ATOM 230 CD2 LEU A 44 80.539 6.940 10.120 1.00 0.00 C ATOM 0 H LEU A 44 81.462 7.210 5.473 1.00 0.00 H new ATOM 0 HA LEU A 44 78.582 6.541 6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 44 79.816 5.560 7.931 1.00 0.00 H new ATOM 0 HB3 LEU A 44 81.278 6.426 7.503 1.00 0.00 H new ATOM 0 HG LEU A 44 80.458 8.466 8.599 1.00 0.00 H new ATOM 0 HD11 LEU A 44 78.300 8.441 9.835 1.00 0.00 H new ATOM 0 HD12 LEU A 44 78.046 8.164 8.095 1.00 0.00 H new ATOM 0 HD13 LEU A 44 77.978 6.798 9.233 1.00 0.00 H new ATOM 0 HD21 LEU A 44 80.366 7.637 10.940 1.00 0.00 H new ATOM 0 HD22 LEU A 44 80.049 5.992 10.341 1.00 0.00 H new ATOM 0 HD23 LEU A 44 81.610 6.777 10.003 1.00 0.00 H new ATOM 242 N CYS A 45 77.947 8.862 6.579 1.00 0.00 N ATOM 243 CA CYS A 45 77.542 10.291 6.676 1.00 0.00 C ATOM 244 C CYS A 45 77.162 10.613 8.122 1.00 0.00 C ATOM 245 O CYS A 45 76.220 10.068 8.659 1.00 0.00 O ATOM 246 CB CYS A 45 76.321 10.425 5.767 1.00 0.00 C ATOM 247 SG CYS A 45 75.049 9.247 6.295 1.00 0.00 S ATOM 0 H CYS A 45 77.179 8.193 6.629 1.00 0.00 H new ATOM 0 HA CYS A 45 78.340 10.972 6.382 1.00 0.00 H new ATOM 0 HB2 CYS A 45 75.931 11.442 5.810 1.00 0.00 H new ATOM 0 HB3 CYS A 45 76.602 10.235 4.731 1.00 0.00 H new ATOM 0 HG CYS A 45 74.417 9.724 7.326 1.00 0.00 H new ATOM 253 N GLU A 46 77.885 11.487 8.764 1.00 0.00 N ATOM 254 CA GLU A 46 77.550 11.825 10.178 1.00 0.00 C ATOM 255 C GLU A 46 76.329 12.745 10.223 1.00 0.00 C ATOM 256 O GLU A 46 75.535 12.697 11.141 1.00 0.00 O ATOM 257 CB GLU A 46 78.786 12.540 10.725 1.00 0.00 C ATOM 258 CG GLU A 46 78.617 12.768 12.228 1.00 0.00 C ATOM 259 CD GLU A 46 78.792 11.441 12.969 1.00 0.00 C ATOM 260 OE1 GLU A 46 79.109 10.459 12.318 1.00 0.00 O ATOM 261 OE2 GLU A 46 78.608 11.429 14.174 1.00 0.00 O ATOM 0 H GLU A 46 78.689 11.980 8.375 1.00 0.00 H new ATOM 0 HA GLU A 46 77.304 10.941 10.766 1.00 0.00 H new ATOM 0 HB2 GLU A 46 79.679 11.944 10.534 1.00 0.00 H new ATOM 0 HB3 GLU A 46 78.924 13.493 10.215 1.00 0.00 H new ATOM 0 HG2 GLU A 46 79.350 13.493 12.581 1.00 0.00 H new ATOM 0 HG3 GLU A 46 77.631 13.185 12.435 1.00 0.00 H new ATOM 268 N LYS A 47 76.166 13.574 9.230 1.00 0.00 N ATOM 269 CA LYS A 47 74.985 14.486 9.209 1.00 0.00 C ATOM 270 C LYS A 47 73.927 13.930 8.253 1.00 0.00 C ATOM 271 O LYS A 47 72.834 14.450 8.149 1.00 0.00 O ATOM 272 CB LYS A 47 75.515 15.833 8.710 1.00 0.00 C ATOM 273 CG LYS A 47 76.387 15.621 7.471 1.00 0.00 C ATOM 274 CD LYS A 47 77.861 15.653 7.878 1.00 0.00 C ATOM 275 CE LYS A 47 78.263 17.087 8.228 1.00 0.00 C ATOM 276 NZ LYS A 47 78.740 17.676 6.944 1.00 0.00 N ATOM 0 H LYS A 47 76.797 13.661 8.433 1.00 0.00 H new ATOM 0 HA LYS A 47 74.518 14.585 10.189 1.00 0.00 H new ATOM 0 HB2 LYS A 47 74.683 16.495 8.471 1.00 0.00 H new ATOM 0 HB3 LYS A 47 76.094 16.319 9.495 1.00 0.00 H new ATOM 0 HG2 LYS A 47 76.148 14.666 7.003 1.00 0.00 H new ATOM 0 HG3 LYS A 47 76.185 16.397 6.733 1.00 0.00 H new ATOM 0 HD2 LYS A 47 78.027 14.998 8.734 1.00 0.00 H new ATOM 0 HD3 LYS A 47 78.482 15.278 7.064 1.00 0.00 H new ATOM 0 HE2 LYS A 47 77.419 17.647 8.630 1.00 0.00 H new ATOM 0 HE3 LYS A 47 79.046 17.104 8.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 79.264 18.553 7.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 79.365 16.999 6.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 77.924 17.887 6.335 1.00 0.00 H new ATOM 290 N HIS A 48 74.255 12.874 7.555 1.00 0.00 N ATOM 291 CA HIS A 48 73.284 12.265 6.601 1.00 0.00 C ATOM 292 C HIS A 48 72.866 13.287 5.543 1.00 0.00 C ATOM 293 O HIS A 48 71.920 13.084 4.807 1.00 0.00 O ATOM 294 CB HIS A 48 72.091 11.843 7.457 1.00 0.00 C ATOM 295 CG HIS A 48 72.495 10.708 8.362 1.00 0.00 C ATOM 296 ND1 HIS A 48 73.823 10.377 8.591 1.00 0.00 N ATOM 297 CD2 HIS A 48 71.757 9.820 9.102 1.00 0.00 C ATOM 298 CE1 HIS A 48 73.843 9.332 9.438 1.00 0.00 C ATOM 299 NE2 HIS A 48 72.609 8.951 9.781 1.00 0.00 N ATOM 0 H HIS A 48 75.160 12.405 7.606 1.00 0.00 H new ATOM 0 HA HIS A 48 73.710 11.418 6.063 1.00 0.00 H new ATOM 0 HB2 HIS A 48 71.739 12.687 8.050 1.00 0.00 H new ATOM 0 HB3 HIS A 48 71.263 11.535 6.818 1.00 0.00 H new ATOM 0 HD2 HIS A 48 70.678 9.798 9.151 1.00 0.00 H new ATOM 0 HE1 HIS A 48 74.745 8.859 9.797 1.00 0.00 H new ATOM 0 HE2 HIS A 48 72.347 8.188 10.405 1.00 0.00 H new ATOM 307 N GLY A 49 73.571 14.380 5.453 1.00 0.00 N ATOM 308 CA GLY A 49 73.226 15.408 4.434 1.00 0.00 C ATOM 309 C GLY A 49 73.953 15.069 3.133 1.00 0.00 C ATOM 310 O GLY A 49 73.399 15.157 2.056 1.00 0.00 O ATOM 0 H GLY A 49 74.372 14.605 6.042 1.00 0.00 H new ATOM 0 HA2 GLY A 49 72.149 15.431 4.270 1.00 0.00 H new ATOM 0 HA3 GLY A 49 73.517 16.399 4.783 1.00 0.00 H new ATOM 314 N LYS A 50 75.193 14.671 3.227 1.00 0.00 N ATOM 315 CA LYS A 50 75.958 14.312 2.000 1.00 0.00 C ATOM 316 C LYS A 50 75.677 12.865 1.622 1.00 0.00 C ATOM 317 O LYS A 50 75.952 12.442 0.522 1.00 0.00 O ATOM 318 CB LYS A 50 77.433 14.497 2.361 1.00 0.00 C ATOM 319 CG LYS A 50 77.605 15.757 3.211 1.00 0.00 C ATOM 320 CD LYS A 50 77.937 15.350 4.646 1.00 0.00 C ATOM 321 CE LYS A 50 79.418 14.973 4.737 1.00 0.00 C ATOM 322 NZ LYS A 50 80.149 16.171 4.234 1.00 0.00 N ATOM 0 H LYS A 50 75.709 14.579 4.102 1.00 0.00 H new ATOM 0 HA LYS A 50 75.678 14.931 1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 50 77.795 13.626 2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 50 78.032 14.575 1.454 1.00 0.00 H new ATOM 0 HG2 LYS A 50 78.401 16.380 2.803 1.00 0.00 H new ATOM 0 HG3 LYS A 50 76.692 16.352 3.190 1.00 0.00 H new ATOM 0 HD2 LYS A 50 77.716 16.170 5.329 1.00 0.00 H new ATOM 0 HD3 LYS A 50 77.316 14.507 4.950 1.00 0.00 H new ATOM 0 HE2 LYS A 50 79.704 14.737 5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 50 79.640 14.093 4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 81.069 16.242 4.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 80.298 16.081 3.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 79.590 17.026 4.429 1.00 0.00 H new ATOM 336 N ILE A 51 75.120 12.102 2.516 1.00 0.00 N ATOM 337 CA ILE A 51 74.818 10.690 2.172 1.00 0.00 C ATOM 338 C ILE A 51 74.133 10.649 0.810 1.00 0.00 C ATOM 339 O ILE A 51 74.416 9.803 -0.015 1.00 0.00 O ATOM 340 CB ILE A 51 73.883 10.194 3.273 1.00 0.00 C ATOM 341 CG1 ILE A 51 73.706 8.681 3.146 1.00 0.00 C ATOM 342 CG2 ILE A 51 72.521 10.879 3.144 1.00 0.00 C ATOM 343 CD1 ILE A 51 75.065 7.994 3.293 1.00 0.00 C ATOM 0 H ILE A 51 74.863 12.391 3.460 1.00 0.00 H new ATOM 0 HA ILE A 51 75.710 10.067 2.110 1.00 0.00 H new ATOM 0 HB ILE A 51 74.314 10.432 4.245 1.00 0.00 H new ATOM 0 HG12 ILE A 51 73.019 8.319 3.911 1.00 0.00 H new ATOM 0 HG13 ILE A 51 73.265 8.436 2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 51 71.858 10.522 3.932 1.00 0.00 H new ATOM 0 HG22 ILE A 51 72.646 11.958 3.237 1.00 0.00 H new ATOM 0 HG23 ILE A 51 72.087 10.646 2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 51 74.939 6.915 3.202 1.00 0.00 H new ATOM 0 HD12 ILE A 51 75.738 8.348 2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 51 75.488 8.229 4.270 1.00 0.00 H new ATOM 355 N MET A 52 73.253 11.576 0.558 1.00 0.00 N ATOM 356 CA MET A 52 72.576 11.606 -0.762 1.00 0.00 C ATOM 357 C MET A 52 73.497 12.275 -1.768 1.00 0.00 C ATOM 358 O MET A 52 73.670 11.814 -2.878 1.00 0.00 O ATOM 359 CB MET A 52 71.307 12.424 -0.550 1.00 0.00 C ATOM 360 CG MET A 52 70.088 11.582 -0.927 1.00 0.00 C ATOM 361 SD MET A 52 69.538 12.039 -2.589 1.00 0.00 S ATOM 362 CE MET A 52 71.126 11.804 -3.424 1.00 0.00 C ATOM 0 H MET A 52 72.975 12.311 1.208 1.00 0.00 H new ATOM 0 HA MET A 52 72.337 10.613 -1.142 1.00 0.00 H new ATOM 0 HB2 MET A 52 71.236 12.741 0.490 1.00 0.00 H new ATOM 0 HB3 MET A 52 71.339 13.329 -1.157 1.00 0.00 H new ATOM 0 HG2 MET A 52 70.339 10.522 -0.893 1.00 0.00 H new ATOM 0 HG3 MET A 52 69.284 11.742 -0.208 1.00 0.00 H new ATOM 0 HE1 MET A 52 70.953 11.560 -4.472 1.00 0.00 H new ATOM 0 HE2 MET A 52 71.712 12.721 -3.357 1.00 0.00 H new ATOM 0 HE3 MET A 52 71.671 10.990 -2.947 1.00 0.00 H new ATOM 372 N GLU A 53 74.134 13.329 -1.368 1.00 0.00 N ATOM 373 CA GLU A 53 75.088 13.988 -2.280 1.00 0.00 C ATOM 374 C GLU A 53 76.092 12.924 -2.679 1.00 0.00 C ATOM 375 O GLU A 53 76.632 12.921 -3.765 1.00 0.00 O ATOM 376 CB GLU A 53 75.743 15.102 -1.464 1.00 0.00 C ATOM 377 CG GLU A 53 75.708 16.405 -2.264 1.00 0.00 C ATOM 378 CD GLU A 53 76.298 17.537 -1.422 1.00 0.00 C ATOM 379 OE1 GLU A 53 76.162 17.481 -0.211 1.00 0.00 O ATOM 380 OE2 GLU A 53 76.878 18.442 -2.002 1.00 0.00 O ATOM 0 H GLU A 53 74.035 13.761 -0.450 1.00 0.00 H new ATOM 0 HA GLU A 53 74.639 14.412 -3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 53 75.219 15.230 -0.517 1.00 0.00 H new ATOM 0 HB3 GLU A 53 76.773 14.836 -1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 53 76.274 16.292 -3.188 1.00 0.00 H new ATOM 0 HG3 GLU A 53 74.682 16.644 -2.546 1.00 0.00 H new ATOM 387 N ALA A 54 76.307 11.986 -1.797 1.00 0.00 N ATOM 388 CA ALA A 54 77.237 10.875 -2.113 1.00 0.00 C ATOM 389 C ALA A 54 76.469 9.844 -2.926 1.00 0.00 C ATOM 390 O ALA A 54 77.015 9.155 -3.762 1.00 0.00 O ATOM 391 CB ALA A 54 77.663 10.302 -0.762 1.00 0.00 C ATOM 0 H ALA A 54 75.877 11.945 -0.873 1.00 0.00 H new ATOM 0 HA ALA A 54 78.109 11.185 -2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 54 78.354 9.474 -0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 54 78.155 11.078 -0.176 1.00 0.00 H new ATOM 0 HB3 ALA A 54 76.784 9.945 -0.225 1.00 0.00 H new ATOM 397 N MET A 55 75.186 9.755 -2.694 1.00 0.00 N ATOM 398 CA MET A 55 74.358 8.786 -3.466 1.00 0.00 C ATOM 399 C MET A 55 74.145 9.316 -4.888 1.00 0.00 C ATOM 400 O MET A 55 74.302 8.602 -5.860 1.00 0.00 O ATOM 401 CB MET A 55 73.027 8.709 -2.716 1.00 0.00 C ATOM 402 CG MET A 55 72.507 7.270 -2.742 1.00 0.00 C ATOM 403 SD MET A 55 70.904 7.194 -1.904 1.00 0.00 S ATOM 404 CE MET A 55 71.528 7.229 -0.206 1.00 0.00 C ATOM 0 H MET A 55 74.678 10.310 -2.005 1.00 0.00 H new ATOM 0 HA MET A 55 74.828 7.806 -3.549 1.00 0.00 H new ATOM 0 HB2 MET A 55 73.158 9.041 -1.686 1.00 0.00 H new ATOM 0 HB3 MET A 55 72.299 9.378 -3.176 1.00 0.00 H new ATOM 0 HG2 MET A 55 72.408 6.926 -3.772 1.00 0.00 H new ATOM 0 HG3 MET A 55 73.218 6.606 -2.251 1.00 0.00 H new ATOM 0 HE1 MET A 55 70.971 6.515 0.401 1.00 0.00 H new ATOM 0 HE2 MET A 55 72.585 6.963 -0.201 1.00 0.00 H new ATOM 0 HE3 MET A 55 71.404 8.230 0.207 1.00 0.00 H new ATOM 414 N GLU A 56 73.802 10.571 -5.017 1.00 0.00 N ATOM 415 CA GLU A 56 73.590 11.153 -6.374 1.00 0.00 C ATOM 416 C GLU A 56 74.926 11.250 -7.112 1.00 0.00 C ATOM 417 O GLU A 56 75.094 10.705 -8.184 1.00 0.00 O ATOM 418 CB GLU A 56 73.012 12.548 -6.124 1.00 0.00 C ATOM 419 CG GLU A 56 71.722 12.717 -6.928 1.00 0.00 C ATOM 420 CD GLU A 56 72.026 13.448 -8.237 1.00 0.00 C ATOM 421 OE1 GLU A 56 72.466 12.793 -9.169 1.00 0.00 O ATOM 422 OE2 GLU A 56 71.813 14.648 -8.286 1.00 0.00 O ATOM 0 H GLU A 56 73.660 11.218 -4.241 1.00 0.00 H new ATOM 0 HA GLU A 56 72.926 10.545 -6.988 1.00 0.00 H new ATOM 0 HB2 GLU A 56 72.811 12.685 -5.061 1.00 0.00 H new ATOM 0 HB3 GLU A 56 73.736 13.310 -6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 56 71.282 11.742 -7.138 1.00 0.00 H new ATOM 0 HG3 GLU A 56 70.990 13.279 -6.347 1.00 0.00 H new ATOM 429 N LYS A 57 75.882 11.934 -6.541 1.00 0.00 N ATOM 430 CA LYS A 57 77.210 12.054 -7.206 1.00 0.00 C ATOM 431 C LYS A 57 77.626 10.694 -7.766 1.00 0.00 C ATOM 432 O LYS A 57 77.637 10.487 -8.963 1.00 0.00 O ATOM 433 CB LYS A 57 78.163 12.510 -6.104 1.00 0.00 C ATOM 434 CG LYS A 57 78.050 14.027 -5.948 1.00 0.00 C ATOM 435 CD LYS A 57 79.399 14.591 -5.512 1.00 0.00 C ATOM 436 CE LYS A 57 79.412 16.105 -5.726 1.00 0.00 C ATOM 437 NZ LYS A 57 78.860 16.673 -4.464 1.00 0.00 N ATOM 0 H LYS A 57 75.800 12.414 -5.645 1.00 0.00 H new ATOM 0 HA LYS A 57 77.205 12.754 -8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 57 77.917 12.015 -5.164 1.00 0.00 H new ATOM 0 HB3 LYS A 57 79.187 12.232 -6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 57 77.741 14.479 -6.891 1.00 0.00 H new ATOM 0 HG3 LYS A 57 77.285 14.272 -5.211 1.00 0.00 H new ATOM 0 HD2 LYS A 57 79.580 14.360 -4.462 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.202 14.125 -6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 57 80.422 16.469 -5.915 1.00 0.00 H new ATOM 0 HE3 LYS A 57 78.805 16.388 -6.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 78.709 17.695 -4.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 77.954 16.212 -4.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 79.531 16.508 -3.687 1.00 0.00 H new ATOM 451 N LEU A 58 77.952 9.761 -6.910 1.00 0.00 N ATOM 452 CA LEU A 58 78.346 8.409 -7.390 1.00 0.00 C ATOM 453 C LEU A 58 77.439 7.981 -8.548 1.00 0.00 C ATOM 454 O LEU A 58 77.854 7.281 -9.449 1.00 0.00 O ATOM 455 CB LEU A 58 78.142 7.495 -6.181 1.00 0.00 C ATOM 456 CG LEU A 58 79.502 7.096 -5.613 1.00 0.00 C ATOM 457 CD1 LEU A 58 79.832 7.960 -4.395 1.00 0.00 C ATOM 458 CD2 LEU A 58 79.466 5.624 -5.193 1.00 0.00 C ATOM 0 H LEU A 58 77.962 9.880 -5.897 1.00 0.00 H new ATOM 0 HA LEU A 58 79.371 8.376 -7.760 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.553 8.006 -5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.582 6.606 -6.473 1.00 0.00 H new ATOM 0 HG LEU A 58 80.265 7.244 -6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 58 80.804 7.669 -3.995 1.00 0.00 H new ATOM 0 HD12 LEU A 58 79.860 9.009 -4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 58 79.068 7.818 -3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 58 80.436 5.338 -4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 58 78.698 5.481 -4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 58 79.238 5.004 -6.060 1.00 0.00 H new ATOM 470 N LYS A 59 76.202 8.404 -8.531 1.00 0.00 N ATOM 471 CA LYS A 59 75.270 8.028 -9.633 1.00 0.00 C ATOM 472 C LYS A 59 75.456 8.971 -10.825 1.00 0.00 C ATOM 473 O LYS A 59 75.949 8.581 -11.864 1.00 0.00 O ATOM 474 CB LYS A 59 73.871 8.185 -9.039 1.00 0.00 C ATOM 475 CG LYS A 59 73.427 6.855 -8.430 1.00 0.00 C ATOM 476 CD LYS A 59 72.364 6.214 -9.325 1.00 0.00 C ATOM 477 CE LYS A 59 71.143 7.133 -9.400 1.00 0.00 C ATOM 478 NZ LYS A 59 70.012 6.239 -9.783 1.00 0.00 N ATOM 0 H LYS A 59 75.798 8.993 -7.803 1.00 0.00 H new ATOM 0 HA LYS A 59 75.446 7.016 -9.997 1.00 0.00 H new ATOM 0 HB2 LYS A 59 73.873 8.964 -8.277 1.00 0.00 H new ATOM 0 HB3 LYS A 59 73.168 8.497 -9.812 1.00 0.00 H new ATOM 0 HG2 LYS A 59 74.282 6.187 -8.327 1.00 0.00 H new ATOM 0 HG3 LYS A 59 73.026 7.017 -7.429 1.00 0.00 H new ATOM 0 HD2 LYS A 59 72.767 6.044 -10.323 1.00 0.00 H new ATOM 0 HD3 LYS A 59 72.077 5.241 -8.928 1.00 0.00 H new ATOM 0 HE2 LYS A 59 70.955 7.619 -8.443 1.00 0.00 H new ATOM 0 HE3 LYS A 59 71.288 7.924 -10.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 69.137 6.797 -9.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 70.216 5.795 -10.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 69.893 5.501 -9.060 1.00 0.00 H new ATOM 492 N SER A 60 75.065 10.209 -10.682 1.00 0.00 N ATOM 493 CA SER A 60 75.220 11.177 -11.807 1.00 0.00 C ATOM 494 C SER A 60 76.580 10.985 -12.479 1.00 0.00 C ATOM 495 O SER A 60 76.704 11.049 -13.686 1.00 0.00 O ATOM 496 CB SER A 60 75.132 12.564 -11.166 1.00 0.00 C ATOM 497 OG SER A 60 74.909 12.433 -9.769 1.00 0.00 O ATOM 0 H SER A 60 74.645 10.592 -9.835 1.00 0.00 H new ATOM 0 HA SER A 60 74.458 11.039 -12.574 1.00 0.00 H new ATOM 0 HB2 SER A 60 76.053 13.118 -11.347 1.00 0.00 H new ATOM 0 HB3 SER A 60 74.323 13.135 -11.621 1.00 0.00 H new ATOM 0 HG SER A 60 74.103 12.931 -9.518 1.00 0.00 H new ATOM 503 N GLY A 61 77.602 10.746 -11.704 1.00 0.00 N ATOM 504 CA GLY A 61 78.954 10.545 -12.294 1.00 0.00 C ATOM 505 C GLY A 61 79.923 11.574 -11.714 1.00 0.00 C ATOM 506 O GLY A 61 80.865 11.988 -12.362 1.00 0.00 O ATOM 0 H GLY A 61 77.558 10.681 -10.687 1.00 0.00 H new ATOM 0 HA2 GLY A 61 79.308 9.536 -12.082 1.00 0.00 H new ATOM 0 HA3 GLY A 61 78.907 10.645 -13.378 1.00 0.00 H new ATOM 510 N MET A 62 79.708 11.991 -10.496 1.00 0.00 N ATOM 511 CA MET A 62 80.624 12.989 -9.881 1.00 0.00 C ATOM 512 C MET A 62 81.827 12.275 -9.266 1.00 0.00 C ATOM 513 O MET A 62 82.051 11.105 -9.502 1.00 0.00 O ATOM 514 CB MET A 62 79.795 13.672 -8.796 1.00 0.00 C ATOM 515 CG MET A 62 79.644 15.158 -9.125 1.00 0.00 C ATOM 516 SD MET A 62 78.416 15.363 -10.438 1.00 0.00 S ATOM 517 CE MET A 62 76.945 15.093 -9.418 1.00 0.00 C ATOM 0 H MET A 62 78.938 11.683 -9.902 1.00 0.00 H new ATOM 0 HA MET A 62 81.009 13.705 -10.607 1.00 0.00 H new ATOM 0 HB2 MET A 62 78.813 13.203 -8.725 1.00 0.00 H new ATOM 0 HB3 MET A 62 80.277 13.551 -7.826 1.00 0.00 H new ATOM 0 HG2 MET A 62 79.337 15.709 -8.236 1.00 0.00 H new ATOM 0 HG3 MET A 62 80.602 15.571 -9.441 1.00 0.00 H new ATOM 0 HE1 MET A 62 76.079 15.543 -9.903 1.00 0.00 H new ATOM 0 HE2 MET A 62 76.778 14.023 -9.296 1.00 0.00 H new ATOM 0 HE3 MET A 62 77.092 15.551 -8.440 1.00 0.00 H new ATOM 527 N ARG A 63 82.601 12.965 -8.477 1.00 0.00 N ATOM 528 CA ARG A 63 83.783 12.311 -7.851 1.00 0.00 C ATOM 529 C ARG A 63 83.350 11.089 -7.057 1.00 0.00 C ATOM 530 O ARG A 63 82.465 11.162 -6.236 1.00 0.00 O ATOM 531 CB ARG A 63 84.350 13.332 -6.883 1.00 0.00 C ATOM 532 CG ARG A 63 84.893 14.535 -7.633 1.00 0.00 C ATOM 533 CD ARG A 63 84.537 15.800 -6.847 1.00 0.00 C ATOM 534 NE ARG A 63 85.679 16.730 -7.073 1.00 0.00 N ATOM 535 CZ ARG A 63 85.501 18.021 -6.973 1.00 0.00 C ATOM 536 NH1 ARG A 63 85.138 18.712 -8.019 1.00 0.00 N ATOM 537 NH2 ARG A 63 85.687 18.620 -5.828 1.00 0.00 N ATOM 0 H ARG A 63 82.468 13.948 -8.239 1.00 0.00 H new ATOM 0 HA ARG A 63 84.503 11.996 -8.607 1.00 0.00 H new ATOM 0 HB2 ARG A 63 83.575 13.651 -6.186 1.00 0.00 H new ATOM 0 HB3 ARG A 63 85.144 12.878 -6.290 1.00 0.00 H new ATOM 0 HG2 ARG A 63 85.974 14.453 -7.749 1.00 0.00 H new ATOM 0 HG3 ARG A 63 84.468 14.580 -8.636 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.600 16.233 -7.199 1.00 0.00 H new ATOM 0 HD3 ARG A 63 84.409 15.583 -5.787 1.00 0.00 H new ATOM 0 HE ARG A 63 86.600 16.359 -7.306 1.00 0.00 H new ATOM 0 HH11 ARG A 63 84.993 18.245 -8.914 1.00 0.00 H new ATOM 0 HH12 ARG A 63 84.999 19.719 -7.942 1.00 0.00 H new ATOM 0 HH21 ARG A 63 85.972 18.080 -5.010 1.00 0.00 H new ATOM 0 HH22 ARG A 63 85.548 19.628 -5.751 1.00 0.00 H new ATOM 551 N PHE A 64 83.983 9.977 -7.269 1.00 0.00 N ATOM 552 CA PHE A 64 83.627 8.767 -6.496 1.00 0.00 C ATOM 553 C PHE A 64 84.495 8.725 -5.227 1.00 0.00 C ATOM 554 O PHE A 64 84.048 8.334 -4.161 1.00 0.00 O ATOM 555 CB PHE A 64 83.893 7.618 -7.483 1.00 0.00 C ATOM 556 CG PHE A 64 84.703 6.499 -6.872 1.00 0.00 C ATOM 557 CD1 PHE A 64 84.058 5.446 -6.216 1.00 0.00 C ATOM 558 CD2 PHE A 64 86.096 6.496 -7.005 1.00 0.00 C ATOM 559 CE1 PHE A 64 84.808 4.387 -5.693 1.00 0.00 C ATOM 560 CE2 PHE A 64 86.847 5.440 -6.474 1.00 0.00 C ATOM 561 CZ PHE A 64 86.203 4.385 -5.821 1.00 0.00 C ATOM 0 H PHE A 64 84.735 9.854 -7.947 1.00 0.00 H new ATOM 0 HA PHE A 64 82.598 8.721 -6.139 1.00 0.00 H new ATOM 0 HB2 PHE A 64 82.941 7.221 -7.837 1.00 0.00 H new ATOM 0 HB3 PHE A 64 84.419 8.008 -8.354 1.00 0.00 H new ATOM 0 HD1 PHE A 64 82.983 5.450 -6.113 1.00 0.00 H new ATOM 0 HD2 PHE A 64 86.592 7.308 -7.517 1.00 0.00 H new ATOM 0 HE1 PHE A 64 84.311 3.570 -5.190 1.00 0.00 H new ATOM 0 HE2 PHE A 64 87.923 5.441 -6.569 1.00 0.00 H new ATOM 0 HZ PHE A 64 86.781 3.568 -5.415 1.00 0.00 H new ATOM 571 N ASN A 65 85.725 9.167 -5.326 1.00 0.00 N ATOM 572 CA ASN A 65 86.610 9.182 -4.125 1.00 0.00 C ATOM 573 C ASN A 65 86.491 10.512 -3.369 1.00 0.00 C ATOM 574 O ASN A 65 86.598 10.547 -2.161 1.00 0.00 O ATOM 575 CB ASN A 65 88.035 8.985 -4.658 1.00 0.00 C ATOM 576 CG ASN A 65 88.276 9.893 -5.861 1.00 0.00 C ATOM 577 OD1 ASN A 65 88.504 11.078 -5.712 1.00 0.00 O ATOM 578 ND2 ASN A 65 88.230 9.382 -7.059 1.00 0.00 N ATOM 0 H ASN A 65 86.151 9.516 -6.184 1.00 0.00 H new ATOM 0 HA ASN A 65 86.333 8.401 -3.417 1.00 0.00 H new ATOM 0 HB2 ASN A 65 88.759 9.208 -3.874 1.00 0.00 H new ATOM 0 HB3 ASN A 65 88.184 7.944 -4.943 1.00 0.00 H new ATOM 0 HD21 ASN A 65 88.385 9.976 -7.873 1.00 0.00 H new ATOM 0 HD22 ASN A 65 88.039 8.388 -7.182 1.00 0.00 H new ATOM 585 N GLU A 66 86.259 11.607 -4.046 1.00 0.00 N ATOM 586 CA GLU A 66 86.134 12.892 -3.298 1.00 0.00 C ATOM 587 C GLU A 66 84.892 12.818 -2.423 1.00 0.00 C ATOM 588 O GLU A 66 84.921 13.161 -1.259 1.00 0.00 O ATOM 589 CB GLU A 66 86.006 14.005 -4.336 1.00 0.00 C ATOM 590 CG GLU A 66 87.124 13.877 -5.372 1.00 0.00 C ATOM 591 CD GLU A 66 88.480 13.909 -4.664 1.00 0.00 C ATOM 592 OE1 GLU A 66 88.944 12.853 -4.266 1.00 0.00 O ATOM 593 OE2 GLU A 66 89.030 14.989 -4.528 1.00 0.00 O ATOM 0 H GLU A 66 86.153 11.668 -5.059 1.00 0.00 H new ATOM 0 HA GLU A 66 86.996 13.083 -2.659 1.00 0.00 H new ATOM 0 HB2 GLU A 66 85.034 13.947 -4.827 1.00 0.00 H new ATOM 0 HB3 GLU A 66 86.059 14.978 -3.848 1.00 0.00 H new ATOM 0 HG2 GLU A 66 87.014 12.946 -5.929 1.00 0.00 H new ATOM 0 HG3 GLU A 66 87.060 14.690 -6.095 1.00 0.00 H new ATOM 600 N VAL A 67 83.800 12.343 -2.950 1.00 0.00 N ATOM 601 CA VAL A 67 82.606 12.224 -2.098 1.00 0.00 C ATOM 602 C VAL A 67 82.975 11.349 -0.919 1.00 0.00 C ATOM 603 O VAL A 67 82.990 11.790 0.207 1.00 0.00 O ATOM 604 CB VAL A 67 81.516 11.545 -2.927 1.00 0.00 C ATOM 605 CG1 VAL A 67 80.941 12.540 -3.909 1.00 0.00 C ATOM 606 CG2 VAL A 67 82.062 10.344 -3.687 1.00 0.00 C ATOM 0 H VAL A 67 83.690 12.039 -3.917 1.00 0.00 H new ATOM 0 HA VAL A 67 82.254 13.193 -1.745 1.00 0.00 H new ATOM 0 HB VAL A 67 80.740 11.193 -2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 67 80.163 12.058 -4.502 1.00 0.00 H new ATOM 0 HG12 VAL A 67 80.513 13.382 -3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 67 81.731 12.898 -4.569 1.00 0.00 H new ATOM 0 HG21 VAL A 67 81.261 9.885 -4.266 1.00 0.00 H new ATOM 0 HG22 VAL A 67 82.855 10.669 -4.360 1.00 0.00 H new ATOM 0 HG23 VAL A 67 82.461 9.617 -2.980 1.00 0.00 H new ATOM 616 N ALA A 68 83.323 10.114 -1.167 1.00 0.00 N ATOM 617 CA ALA A 68 83.714 9.239 -0.047 1.00 0.00 C ATOM 618 C ALA A 68 84.725 9.993 0.803 1.00 0.00 C ATOM 619 O ALA A 68 84.733 9.875 2.004 1.00 0.00 O ATOM 620 CB ALA A 68 84.317 8.003 -0.705 1.00 0.00 C ATOM 0 H ALA A 68 83.350 9.685 -2.092 1.00 0.00 H new ATOM 0 HA ALA A 68 82.891 8.951 0.607 1.00 0.00 H new ATOM 0 HB1 ALA A 68 84.634 7.299 0.065 1.00 0.00 H new ATOM 0 HB2 ALA A 68 83.571 7.530 -1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.178 8.295 -1.307 1.00 0.00 H new ATOM 626 N ALA A 69 85.551 10.813 0.194 1.00 0.00 N ATOM 627 CA ALA A 69 86.521 11.601 1.006 1.00 0.00 C ATOM 628 C ALA A 69 85.783 12.138 2.220 1.00 0.00 C ATOM 629 O ALA A 69 85.961 11.665 3.322 1.00 0.00 O ATOM 630 CB ALA A 69 87.001 12.740 0.105 1.00 0.00 C ATOM 0 H ALA A 69 85.592 10.966 -0.814 1.00 0.00 H new ATOM 0 HA ALA A 69 87.371 11.013 1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 69 87.718 13.356 0.648 1.00 0.00 H new ATOM 0 HB2 ALA A 69 87.478 12.325 -0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 69 86.150 13.352 -0.193 1.00 0.00 H new ATOM 636 N GLN A 70 84.922 13.092 2.041 1.00 0.00 N ATOM 637 CA GLN A 70 84.174 13.578 3.206 1.00 0.00 C ATOM 638 C GLN A 70 82.871 12.820 3.381 1.00 0.00 C ATOM 639 O GLN A 70 82.489 12.461 4.473 1.00 0.00 O ATOM 640 CB GLN A 70 83.893 15.037 2.967 1.00 0.00 C ATOM 641 CG GLN A 70 84.341 15.755 4.221 1.00 0.00 C ATOM 642 CD GLN A 70 83.441 15.330 5.403 1.00 0.00 C ATOM 643 OE1 GLN A 70 82.621 16.108 5.848 1.00 0.00 O ATOM 644 NE2 GLN A 70 83.548 14.125 5.941 1.00 0.00 N ATOM 0 H GLN A 70 84.711 13.545 1.152 1.00 0.00 H new ATOM 0 HA GLN A 70 84.756 13.427 4.115 1.00 0.00 H new ATOM 0 HB2 GLN A 70 84.434 15.401 2.094 1.00 0.00 H new ATOM 0 HB3 GLN A 70 82.833 15.205 2.778 1.00 0.00 H new ATOM 0 HG2 GLN A 70 85.382 15.517 4.438 1.00 0.00 H new ATOM 0 HG3 GLN A 70 84.285 16.834 4.076 1.00 0.00 H new ATOM 0 HE21 GLN A 70 84.233 13.463 5.576 1.00 0.00 H new ATOM 0 HE22 GLN A 70 82.946 13.859 6.720 1.00 0.00 H new ATOM 653 N TYR A 71 82.164 12.610 2.313 1.00 0.00 N ATOM 654 CA TYR A 71 80.864 11.910 2.421 1.00 0.00 C ATOM 655 C TYR A 71 81.046 10.637 3.247 1.00 0.00 C ATOM 656 O TYR A 71 80.144 10.209 3.940 1.00 0.00 O ATOM 657 CB TYR A 71 80.420 11.612 0.982 1.00 0.00 C ATOM 658 CG TYR A 71 80.201 12.910 0.216 1.00 0.00 C ATOM 659 CD1 TYR A 71 80.593 14.152 0.752 1.00 0.00 C ATOM 660 CD2 TYR A 71 79.595 12.866 -1.044 1.00 0.00 C ATOM 661 CE1 TYR A 71 80.377 15.329 0.025 1.00 0.00 C ATOM 662 CE2 TYR A 71 79.381 14.045 -1.769 1.00 0.00 C ATOM 663 CZ TYR A 71 79.771 15.275 -1.234 1.00 0.00 C ATOM 664 OH TYR A 71 79.559 16.437 -1.947 1.00 0.00 O ATOM 0 H TYR A 71 82.431 12.893 1.370 1.00 0.00 H new ATOM 0 HA TYR A 71 80.103 12.505 2.926 1.00 0.00 H new ATOM 0 HB2 TYR A 71 81.175 11.008 0.479 1.00 0.00 H new ATOM 0 HB3 TYR A 71 79.500 11.028 0.992 1.00 0.00 H new ATOM 0 HD1 TYR A 71 81.061 14.197 1.725 1.00 0.00 H new ATOM 0 HD2 TYR A 71 79.290 11.917 -1.460 1.00 0.00 H new ATOM 0 HE1 TYR A 71 80.679 16.280 0.437 1.00 0.00 H new ATOM 0 HE2 TYR A 71 78.914 14.003 -2.742 1.00 0.00 H new ATOM 0 HH TYR A 71 80.252 17.091 -1.720 1.00 0.00 H new ATOM 674 N SER A 72 82.211 10.038 3.213 1.00 0.00 N ATOM 675 CA SER A 72 82.413 8.812 4.045 1.00 0.00 C ATOM 676 C SER A 72 82.546 9.211 5.520 1.00 0.00 C ATOM 677 O SER A 72 82.538 8.373 6.398 1.00 0.00 O ATOM 678 CB SER A 72 83.718 8.177 3.563 1.00 0.00 C ATOM 679 OG SER A 72 83.940 6.959 4.258 1.00 0.00 O ATOM 0 H SER A 72 83.014 10.336 2.659 1.00 0.00 H new ATOM 0 HA SER A 72 81.576 8.121 3.951 1.00 0.00 H new ATOM 0 HB2 SER A 72 83.669 7.992 2.490 1.00 0.00 H new ATOM 0 HB3 SER A 72 84.550 8.860 3.731 1.00 0.00 H new ATOM 0 HG SER A 72 83.965 6.217 3.618 1.00 0.00 H new ATOM 685 N GLU A 73 82.671 10.490 5.784 1.00 0.00 N ATOM 686 CA GLU A 73 82.814 10.986 7.180 1.00 0.00 C ATOM 687 C GLU A 73 83.574 9.975 8.036 1.00 0.00 C ATOM 688 O GLU A 73 83.202 9.686 9.155 1.00 0.00 O ATOM 689 CB GLU A 73 81.389 11.172 7.672 1.00 0.00 C ATOM 690 CG GLU A 73 81.326 12.418 8.550 1.00 0.00 C ATOM 691 CD GLU A 73 82.031 12.145 9.880 1.00 0.00 C ATOM 692 OE1 GLU A 73 81.697 11.157 10.513 1.00 0.00 O ATOM 693 OE2 GLU A 73 82.893 12.929 10.243 1.00 0.00 O ATOM 0 H GLU A 73 82.679 11.221 5.073 1.00 0.00 H new ATOM 0 HA GLU A 73 83.384 11.913 7.237 1.00 0.00 H new ATOM 0 HB2 GLU A 73 80.709 11.272 6.826 1.00 0.00 H new ATOM 0 HB3 GLU A 73 81.068 10.297 8.237 1.00 0.00 H new ATOM 0 HG2 GLU A 73 81.800 13.258 8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 73 80.288 12.698 8.728 1.00 0.00 H new ATOM 700 N ASP A 74 84.644 9.448 7.507 1.00 0.00 N ATOM 701 CA ASP A 74 85.466 8.448 8.266 1.00 0.00 C ATOM 702 C ASP A 74 86.433 7.721 7.318 1.00 0.00 C ATOM 703 O ASP A 74 87.544 8.159 7.096 1.00 0.00 O ATOM 704 CB ASP A 74 84.465 7.454 8.871 1.00 0.00 C ATOM 705 CG ASP A 74 85.196 6.175 9.289 1.00 0.00 C ATOM 706 OD1 ASP A 74 86.260 6.287 9.874 1.00 0.00 O ATOM 707 OD2 ASP A 74 84.677 5.104 9.019 1.00 0.00 O ATOM 0 H ASP A 74 84.991 9.666 6.573 1.00 0.00 H new ATOM 0 HA ASP A 74 86.070 8.928 9.036 1.00 0.00 H new ATOM 0 HB2 ASP A 74 83.971 7.900 9.734 1.00 0.00 H new ATOM 0 HB3 ASP A 74 83.687 7.219 8.145 1.00 0.00 H new ATOM 712 N LYS A 75 86.019 6.609 6.764 1.00 0.00 N ATOM 713 CA LYS A 75 86.914 5.850 5.839 1.00 0.00 C ATOM 714 C LYS A 75 87.427 6.767 4.724 1.00 0.00 C ATOM 715 O LYS A 75 88.417 6.481 4.080 1.00 0.00 O ATOM 716 CB LYS A 75 86.040 4.735 5.268 1.00 0.00 C ATOM 717 CG LYS A 75 85.565 3.831 6.409 1.00 0.00 C ATOM 718 CD LYS A 75 86.776 3.281 7.165 1.00 0.00 C ATOM 719 CE LYS A 75 86.360 2.041 7.959 1.00 0.00 C ATOM 720 NZ LYS A 75 87.449 1.839 8.957 1.00 0.00 N ATOM 0 H LYS A 75 85.099 6.194 6.913 1.00 0.00 H new ATOM 0 HA LYS A 75 87.794 5.454 6.347 1.00 0.00 H new ATOM 0 HB2 LYS A 75 85.184 5.160 4.745 1.00 0.00 H new ATOM 0 HB3 LYS A 75 86.603 4.153 4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 75 84.924 4.392 7.088 1.00 0.00 H new ATOM 0 HG3 LYS A 75 84.968 3.010 6.012 1.00 0.00 H new ATOM 0 HD2 LYS A 75 87.571 3.028 6.464 1.00 0.00 H new ATOM 0 HD3 LYS A 75 87.174 4.041 7.838 1.00 0.00 H new ATOM 0 HE2 LYS A 75 85.398 2.191 8.449 1.00 0.00 H new ATOM 0 HE3 LYS A 75 86.255 1.173 7.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 87.235 1.005 9.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 88.351 1.692 8.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 87.521 2.679 9.567 1.00 0.00 H new ATOM 734 N ALA A 76 86.762 7.872 4.510 1.00 0.00 N ATOM 735 CA ALA A 76 87.189 8.849 3.459 1.00 0.00 C ATOM 736 C ALA A 76 86.785 8.407 2.060 1.00 0.00 C ATOM 737 O ALA A 76 85.820 7.699 1.861 1.00 0.00 O ATOM 738 CB ALA A 76 88.707 8.934 3.533 1.00 0.00 C ATOM 0 H ALA A 76 85.926 8.145 5.027 1.00 0.00 H new ATOM 0 HA ALA A 76 86.706 9.809 3.642 1.00 0.00 H new ATOM 0 HB1 ALA A 76 89.069 9.637 2.783 1.00 0.00 H new ATOM 0 HB2 ALA A 76 89.004 9.276 4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 76 89.136 7.950 3.345 1.00 0.00 H new ATOM 744 N ARG A 77 87.530 8.858 1.088 1.00 0.00 N ATOM 745 CA ARG A 77 87.238 8.527 -0.328 1.00 0.00 C ATOM 746 C ARG A 77 87.188 7.021 -0.534 1.00 0.00 C ATOM 747 O ARG A 77 87.837 6.271 0.167 1.00 0.00 O ATOM 748 CB ARG A 77 88.416 9.113 -1.102 1.00 0.00 C ATOM 749 CG ARG A 77 89.721 8.502 -0.587 1.00 0.00 C ATOM 750 CD ARG A 77 90.907 9.174 -1.280 1.00 0.00 C ATOM 751 NE ARG A 77 92.093 8.368 -0.873 1.00 0.00 N ATOM 752 CZ ARG A 77 93.261 8.618 -1.398 1.00 0.00 C ATOM 753 NH1 ARG A 77 93.510 9.795 -1.903 1.00 0.00 N ATOM 754 NH2 ARG A 77 94.180 7.691 -1.418 1.00 0.00 N ATOM 0 H ARG A 77 88.346 9.455 1.223 1.00 0.00 H new ATOM 0 HA ARG A 77 86.274 8.922 -0.650 1.00 0.00 H new ATOM 0 HB2 ARG A 77 88.302 8.910 -2.167 1.00 0.00 H new ATOM 0 HB3 ARG A 77 88.439 10.196 -0.985 1.00 0.00 H new ATOM 0 HG2 ARG A 77 89.795 8.633 0.493 1.00 0.00 H new ATOM 0 HG3 ARG A 77 89.734 7.429 -0.780 1.00 0.00 H new ATOM 0 HD2 ARG A 77 90.783 9.176 -2.363 1.00 0.00 H new ATOM 0 HD3 ARG A 77 91.010 10.214 -0.969 1.00 0.00 H new ATOM 0 HE ARG A 77 91.992 7.622 -0.185 1.00 0.00 H new ATOM 0 HH11 ARG A 77 92.792 10.519 -1.887 1.00 0.00 H new ATOM 0 HH12 ARG A 77 94.423 9.991 -2.314 1.00 0.00 H new ATOM 0 HH21 ARG A 77 93.985 6.771 -1.023 1.00 0.00 H new ATOM 0 HH22 ARG A 77 95.093 7.887 -1.829 1.00 0.00 H new ATOM 768 N GLN A 78 86.473 6.565 -1.529 1.00 0.00 N ATOM 769 CA GLN A 78 86.466 5.113 -1.791 1.00 0.00 C ATOM 770 C GLN A 78 87.922 4.706 -1.898 1.00 0.00 C ATOM 771 O GLN A 78 88.293 3.579 -1.641 1.00 0.00 O ATOM 772 CB GLN A 78 85.729 4.936 -3.115 1.00 0.00 C ATOM 773 CG GLN A 78 84.238 5.278 -2.947 1.00 0.00 C ATOM 774 CD GLN A 78 83.737 4.816 -1.571 1.00 0.00 C ATOM 775 OE1 GLN A 78 84.091 5.386 -0.559 1.00 0.00 O ATOM 776 NE2 GLN A 78 82.929 3.795 -1.494 1.00 0.00 N ATOM 0 H GLN A 78 85.905 7.132 -2.158 1.00 0.00 H new ATOM 0 HA GLN A 78 85.980 4.509 -1.025 1.00 0.00 H new ATOM 0 HB2 GLN A 78 86.173 5.579 -3.875 1.00 0.00 H new ATOM 0 HB3 GLN A 78 85.836 3.909 -3.464 1.00 0.00 H new ATOM 0 HG2 GLN A 78 84.090 6.353 -3.053 1.00 0.00 H new ATOM 0 HG3 GLN A 78 83.657 4.797 -3.734 1.00 0.00 H new ATOM 0 HE21 GLN A 78 82.631 3.315 -2.343 1.00 0.00 H new ATOM 0 HE22 GLN A 78 82.595 3.476 -0.584 1.00 0.00 H new ATOM 785 N GLY A 79 88.764 5.665 -2.222 1.00 0.00 N ATOM 786 CA GLY A 79 90.215 5.397 -2.278 1.00 0.00 C ATOM 787 C GLY A 79 90.548 4.589 -1.031 1.00 0.00 C ATOM 788 O GLY A 79 91.431 3.754 -1.014 1.00 0.00 O ATOM 0 H GLY A 79 88.493 6.622 -2.449 1.00 0.00 H new ATOM 0 HA2 GLY A 79 90.474 4.844 -3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 79 90.782 6.328 -2.301 1.00 0.00 H new ATOM 792 N GLY A 80 89.795 4.831 0.012 1.00 0.00 N ATOM 793 CA GLY A 80 89.984 4.090 1.279 1.00 0.00 C ATOM 794 C GLY A 80 89.851 2.597 0.983 1.00 0.00 C ATOM 795 O GLY A 80 90.697 1.806 1.349 1.00 0.00 O ATOM 0 H GLY A 80 89.047 5.524 0.031 1.00 0.00 H new ATOM 0 HA2 GLY A 80 90.964 4.307 1.704 1.00 0.00 H new ATOM 0 HA3 GLY A 80 89.242 4.399 2.015 1.00 0.00 H new ATOM 799 N ASP A 81 88.793 2.227 0.301 1.00 0.00 N ATOM 800 CA ASP A 81 88.559 0.794 -0.066 1.00 0.00 C ATOM 801 C ASP A 81 89.239 -0.162 0.920 1.00 0.00 C ATOM 802 O ASP A 81 90.362 -0.577 0.715 1.00 0.00 O ATOM 803 CB ASP A 81 89.174 0.645 -1.458 1.00 0.00 C ATOM 804 CG ASP A 81 88.750 -0.694 -2.062 1.00 0.00 C ATOM 805 OD1 ASP A 81 89.406 -1.683 -1.779 1.00 0.00 O ATOM 806 OD2 ASP A 81 87.778 -0.707 -2.799 1.00 0.00 O ATOM 0 H ASP A 81 88.069 2.869 -0.022 1.00 0.00 H new ATOM 0 HA ASP A 81 87.498 0.545 -0.043 1.00 0.00 H new ATOM 0 HB2 ASP A 81 88.850 1.464 -2.100 1.00 0.00 H new ATOM 0 HB3 ASP A 81 90.261 0.700 -1.395 1.00 0.00 H new ATOM 811 N LEU A 82 88.566 -0.522 1.980 1.00 0.00 N ATOM 812 CA LEU A 82 89.174 -1.460 2.966 1.00 0.00 C ATOM 813 C LEU A 82 89.916 -2.581 2.233 1.00 0.00 C ATOM 814 O LEU A 82 90.860 -3.152 2.743 1.00 0.00 O ATOM 815 CB LEU A 82 87.988 -2.022 3.749 1.00 0.00 C ATOM 816 CG LEU A 82 87.840 -1.261 5.066 1.00 0.00 C ATOM 817 CD1 LEU A 82 86.989 -0.012 4.848 1.00 0.00 C ATOM 818 CD2 LEU A 82 87.163 -2.162 6.100 1.00 0.00 C ATOM 0 H LEU A 82 87.622 -0.207 2.205 1.00 0.00 H new ATOM 0 HA LEU A 82 89.899 -0.972 3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 82 87.075 -1.933 3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 82 88.138 -3.084 3.945 1.00 0.00 H new ATOM 0 HG LEU A 82 88.826 -0.967 5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 82 86.886 0.527 5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 82 87.470 0.632 4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 82 86.002 -0.302 4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 82 87.057 -1.621 7.040 1.00 0.00 H new ATOM 0 HD22 LEU A 82 86.178 -2.456 5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 82 87.771 -3.052 6.261 1.00 0.00 H new ATOM 830 N GLY A 83 89.498 -2.896 1.038 1.00 0.00 N ATOM 831 CA GLY A 83 90.178 -3.974 0.267 1.00 0.00 C ATOM 832 C GLY A 83 89.455 -5.301 0.504 1.00 0.00 C ATOM 833 O GLY A 83 88.542 -5.385 1.302 1.00 0.00 O ATOM 0 H GLY A 83 88.713 -2.452 0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 83 90.178 -3.732 -0.796 1.00 0.00 H new ATOM 0 HA3 GLY A 83 91.220 -4.055 0.575 1.00 0.00 H new ATOM 837 N TRP A 84 89.860 -6.335 -0.182 1.00 0.00 N ATOM 838 CA TRP A 84 89.203 -7.662 0.000 1.00 0.00 C ATOM 839 C TRP A 84 88.909 -7.901 1.483 1.00 0.00 C ATOM 840 O TRP A 84 89.745 -7.673 2.335 1.00 0.00 O ATOM 841 CB TRP A 84 90.227 -8.668 -0.524 1.00 0.00 C ATOM 842 CG TRP A 84 90.057 -8.823 -1.996 1.00 0.00 C ATOM 843 CD1 TRP A 84 90.864 -8.268 -2.916 1.00 0.00 C ATOM 844 CD2 TRP A 84 89.043 -9.566 -2.730 1.00 0.00 C ATOM 845 NE1 TRP A 84 90.412 -8.612 -4.177 1.00 0.00 N ATOM 846 CE2 TRP A 84 89.290 -9.416 -4.114 1.00 0.00 C ATOM 847 CE3 TRP A 84 87.944 -10.347 -2.333 1.00 0.00 C ATOM 848 CZ2 TRP A 84 88.474 -10.019 -5.073 1.00 0.00 C ATOM 849 CZ3 TRP A 84 87.121 -10.955 -3.294 1.00 0.00 C ATOM 850 CH2 TRP A 84 87.385 -10.792 -4.662 1.00 0.00 C ATOM 0 H TRP A 84 90.620 -6.318 -0.863 1.00 0.00 H new ATOM 0 HA TRP A 84 88.250 -7.740 -0.523 1.00 0.00 H new ATOM 0 HB2 TRP A 84 91.237 -8.328 -0.297 1.00 0.00 H new ATOM 0 HB3 TRP A 84 90.096 -9.630 -0.028 1.00 0.00 H new ATOM 0 HD1 TRP A 84 91.726 -7.653 -2.705 1.00 0.00 H new ATOM 0 HE1 TRP A 84 90.852 -8.310 -5.046 1.00 0.00 H new ATOM 0 HE3 TRP A 84 87.731 -10.480 -1.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 88.683 -9.889 -6.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 86.279 -11.552 -2.978 1.00 0.00 H new ATOM 0 HH2 TRP A 84 86.748 -11.263 -5.396 1.00 0.00 H new ATOM 861 N MET A 85 87.724 -8.346 1.802 1.00 0.00 N ATOM 862 CA MET A 85 87.383 -8.582 3.234 1.00 0.00 C ATOM 863 C MET A 85 86.593 -9.882 3.388 1.00 0.00 C ATOM 864 O MET A 85 85.657 -10.141 2.658 1.00 0.00 O ATOM 865 CB MET A 85 86.523 -7.382 3.634 1.00 0.00 C ATOM 866 CG MET A 85 87.198 -6.627 4.781 1.00 0.00 C ATOM 867 SD MET A 85 88.736 -5.878 4.186 1.00 0.00 S ATOM 868 CE MET A 85 89.484 -5.577 5.806 1.00 0.00 C ATOM 0 H MET A 85 86.980 -8.556 1.136 1.00 0.00 H new ATOM 0 HA MET A 85 88.271 -8.679 3.859 1.00 0.00 H new ATOM 0 HB2 MET A 85 86.386 -6.719 2.780 1.00 0.00 H new ATOM 0 HB3 MET A 85 85.532 -7.718 3.939 1.00 0.00 H new ATOM 0 HG2 MET A 85 86.530 -5.856 5.166 1.00 0.00 H new ATOM 0 HG3 MET A 85 87.408 -7.308 5.606 1.00 0.00 H new ATOM 0 HE1 MET A 85 90.307 -4.870 5.701 1.00 0.00 H new ATOM 0 HE2 MET A 85 88.735 -5.165 6.482 1.00 0.00 H new ATOM 0 HE3 MET A 85 89.862 -6.515 6.212 1.00 0.00 H new ATOM 878 N THR A 86 86.961 -10.697 4.339 1.00 0.00 N ATOM 879 CA THR A 86 86.231 -11.981 4.548 1.00 0.00 C ATOM 880 C THR A 86 85.216 -11.834 5.685 1.00 0.00 C ATOM 881 O THR A 86 85.441 -11.121 6.642 1.00 0.00 O ATOM 882 CB THR A 86 87.314 -12.995 4.924 1.00 0.00 C ATOM 883 OG1 THR A 86 88.388 -12.321 5.564 1.00 0.00 O ATOM 884 CG2 THR A 86 87.826 -13.689 3.662 1.00 0.00 C ATOM 0 H THR A 86 87.736 -10.529 4.981 1.00 0.00 H new ATOM 0 HA THR A 86 85.674 -12.288 3.663 1.00 0.00 H new ATOM 0 HB THR A 86 86.896 -13.740 5.601 1.00 0.00 H new ATOM 0 HG1 THR A 86 89.082 -12.969 5.807 1.00 0.00 H new ATOM 0 HG21 THR A 86 88.597 -14.411 3.931 1.00 0.00 H new ATOM 0 HG22 THR A 86 87.001 -14.205 3.171 1.00 0.00 H new ATOM 0 HG23 THR A 86 88.245 -12.946 2.983 1.00 0.00 H new ATOM 892 N ARG A 87 84.099 -12.503 5.587 1.00 0.00 N ATOM 893 CA ARG A 87 83.070 -12.400 6.663 1.00 0.00 C ATOM 894 C ARG A 87 83.710 -12.643 8.032 1.00 0.00 C ATOM 895 O ARG A 87 83.300 -12.079 9.027 1.00 0.00 O ATOM 896 CB ARG A 87 82.054 -13.496 6.343 1.00 0.00 C ATOM 897 CG ARG A 87 80.818 -13.318 7.228 1.00 0.00 C ATOM 898 CD ARG A 87 80.881 -14.306 8.395 1.00 0.00 C ATOM 899 NE ARG A 87 80.470 -13.513 9.588 1.00 0.00 N ATOM 900 CZ ARG A 87 80.784 -13.926 10.786 1.00 0.00 C ATOM 901 NH1 ARG A 87 81.968 -13.675 11.273 1.00 0.00 N ATOM 902 NH2 ARG A 87 79.913 -14.589 11.496 1.00 0.00 N ATOM 0 H ARG A 87 83.854 -13.116 4.809 1.00 0.00 H new ATOM 0 HA ARG A 87 82.608 -11.414 6.701 1.00 0.00 H new ATOM 0 HB2 ARG A 87 81.771 -13.449 5.291 1.00 0.00 H new ATOM 0 HB3 ARG A 87 82.497 -14.478 6.511 1.00 0.00 H new ATOM 0 HG2 ARG A 87 80.771 -12.296 7.605 1.00 0.00 H new ATOM 0 HG3 ARG A 87 79.912 -13.485 6.645 1.00 0.00 H new ATOM 0 HD2 ARG A 87 80.213 -15.152 8.233 1.00 0.00 H new ATOM 0 HD3 ARG A 87 81.886 -14.711 8.516 1.00 0.00 H new ATOM 0 HE ARG A 87 79.943 -12.648 9.469 1.00 0.00 H new ATOM 0 HH11 ARG A 87 82.648 -13.156 10.718 1.00 0.00 H new ATOM 0 HH12 ARG A 87 82.213 -13.998 12.209 1.00 0.00 H new ATOM 0 HH21 ARG A 87 78.987 -14.784 11.115 1.00 0.00 H new ATOM 0 HH22 ARG A 87 80.158 -14.912 12.432 1.00 0.00 H new ATOM 916 N GLY A 88 84.710 -13.478 8.092 1.00 0.00 N ATOM 917 CA GLY A 88 85.373 -13.756 9.396 1.00 0.00 C ATOM 918 C GLY A 88 85.604 -12.440 10.140 1.00 0.00 C ATOM 919 O GLY A 88 85.450 -12.360 11.344 1.00 0.00 O ATOM 0 H GLY A 88 85.097 -13.980 7.293 1.00 0.00 H new ATOM 0 HA2 GLY A 88 84.754 -14.422 9.997 1.00 0.00 H new ATOM 0 HA3 GLY A 88 86.323 -14.265 9.232 1.00 0.00 H new ATOM 923 N SER A 89 85.970 -11.406 9.436 1.00 0.00 N ATOM 924 CA SER A 89 86.209 -10.094 10.104 1.00 0.00 C ATOM 925 C SER A 89 85.427 -8.988 9.391 1.00 0.00 C ATOM 926 O SER A 89 85.943 -8.307 8.528 1.00 0.00 O ATOM 927 CB SER A 89 87.713 -9.853 9.978 1.00 0.00 C ATOM 928 OG SER A 89 88.027 -8.558 10.470 1.00 0.00 O ATOM 0 H SER A 89 86.114 -11.411 8.426 1.00 0.00 H new ATOM 0 HA SER A 89 85.882 -10.095 11.144 1.00 0.00 H new ATOM 0 HB2 SER A 89 88.262 -10.610 10.539 1.00 0.00 H new ATOM 0 HB3 SER A 89 88.021 -9.943 8.936 1.00 0.00 H new ATOM 0 HG SER A 89 88.991 -8.403 10.391 1.00 0.00 H new ATOM 934 N MET A 90 84.185 -8.804 9.746 1.00 0.00 N ATOM 935 CA MET A 90 83.369 -7.743 9.088 1.00 0.00 C ATOM 936 C MET A 90 82.178 -7.367 9.973 1.00 0.00 C ATOM 937 O MET A 90 81.085 -7.137 9.495 1.00 0.00 O ATOM 938 CB MET A 90 82.891 -8.367 7.776 1.00 0.00 C ATOM 939 CG MET A 90 82.965 -7.324 6.660 1.00 0.00 C ATOM 940 SD MET A 90 81.318 -6.634 6.367 1.00 0.00 S ATOM 941 CE MET A 90 81.437 -6.520 4.565 1.00 0.00 C ATOM 0 H MET A 90 83.699 -9.342 10.463 1.00 0.00 H new ATOM 0 HA MET A 90 83.938 -6.829 8.919 1.00 0.00 H new ATOM 0 HB2 MET A 90 83.509 -9.229 7.524 1.00 0.00 H new ATOM 0 HB3 MET A 90 81.868 -8.728 7.884 1.00 0.00 H new ATOM 0 HG2 MET A 90 83.660 -6.530 6.935 1.00 0.00 H new ATOM 0 HG3 MET A 90 83.348 -7.780 5.747 1.00 0.00 H new ATOM 0 HE1 MET A 90 80.510 -6.110 4.164 1.00 0.00 H new ATOM 0 HE2 MET A 90 82.268 -5.868 4.296 1.00 0.00 H new ATOM 0 HE3 MET A 90 81.605 -7.513 4.148 1.00 0.00 H new ATOM 951 N VAL A 91 82.382 -7.302 11.261 1.00 0.00 N ATOM 952 CA VAL A 91 81.262 -6.939 12.179 1.00 0.00 C ATOM 953 C VAL A 91 80.120 -7.953 12.039 1.00 0.00 C ATOM 954 O VAL A 91 80.348 -9.136 11.876 1.00 0.00 O ATOM 955 CB VAL A 91 80.801 -5.542 11.737 1.00 0.00 C ATOM 956 CG1 VAL A 91 80.133 -4.832 12.918 1.00 0.00 C ATOM 957 CG2 VAL A 91 82.002 -4.714 11.268 1.00 0.00 C ATOM 0 H VAL A 91 83.275 -7.484 11.718 1.00 0.00 H new ATOM 0 HA VAL A 91 81.572 -6.944 13.224 1.00 0.00 H new ATOM 0 HB VAL A 91 80.093 -5.645 10.914 1.00 0.00 H new ATOM 0 HG11 VAL A 91 79.805 -3.840 12.608 1.00 0.00 H new ATOM 0 HG12 VAL A 91 79.272 -5.412 13.251 1.00 0.00 H new ATOM 0 HG13 VAL A 91 80.846 -4.738 13.737 1.00 0.00 H new ATOM 0 HG21 VAL A 91 81.663 -3.726 10.957 1.00 0.00 H new ATOM 0 HG22 VAL A 91 82.716 -4.612 12.086 1.00 0.00 H new ATOM 0 HG23 VAL A 91 82.483 -5.214 10.427 1.00 0.00 H new ATOM 967 N GLY A 92 78.897 -7.503 12.099 1.00 0.00 N ATOM 968 CA GLY A 92 77.750 -8.445 11.968 1.00 0.00 C ATOM 969 C GLY A 92 76.845 -7.980 10.822 1.00 0.00 C ATOM 970 O GLY A 92 76.880 -8.539 9.744 1.00 0.00 O ATOM 0 H GLY A 92 78.642 -6.524 12.233 1.00 0.00 H new ATOM 0 HA2 GLY A 92 78.113 -9.454 11.774 1.00 0.00 H new ATOM 0 HA3 GLY A 92 77.186 -8.483 12.900 1.00 0.00 H new ATOM 974 N PRO A 93 76.062 -6.963 11.090 1.00 0.00 N ATOM 975 CA PRO A 93 75.145 -6.418 10.062 1.00 0.00 C ATOM 976 C PRO A 93 75.945 -5.897 8.865 1.00 0.00 C ATOM 977 O PRO A 93 75.536 -6.026 7.728 1.00 0.00 O ATOM 978 CB PRO A 93 74.450 -5.272 10.802 1.00 0.00 C ATOM 979 CG PRO A 93 75.003 -5.201 12.239 1.00 0.00 C ATOM 980 CD PRO A 93 76.050 -6.309 12.421 1.00 0.00 C ATOM 0 HA PRO A 93 74.446 -7.151 9.660 1.00 0.00 H new ATOM 0 HB2 PRO A 93 74.623 -4.329 10.284 1.00 0.00 H new ATOM 0 HB3 PRO A 93 73.372 -5.433 10.820 1.00 0.00 H new ATOM 0 HG2 PRO A 93 75.451 -4.224 12.423 1.00 0.00 H new ATOM 0 HG3 PRO A 93 74.195 -5.323 12.961 1.00 0.00 H new ATOM 0 HD2 PRO A 93 77.028 -5.904 12.683 1.00 0.00 H new ATOM 0 HD3 PRO A 93 75.771 -7.005 13.212 1.00 0.00 H new ATOM 988 N PHE A 94 77.085 -5.313 9.114 1.00 0.00 N ATOM 989 CA PHE A 94 77.915 -4.787 7.994 1.00 0.00 C ATOM 990 C PHE A 94 78.022 -5.838 6.888 1.00 0.00 C ATOM 991 O PHE A 94 77.930 -5.534 5.714 1.00 0.00 O ATOM 992 CB PHE A 94 79.287 -4.519 8.613 1.00 0.00 C ATOM 993 CG PHE A 94 79.857 -3.240 8.048 1.00 0.00 C ATOM 994 CD1 PHE A 94 79.044 -2.107 7.922 1.00 0.00 C ATOM 995 CD2 PHE A 94 81.199 -3.188 7.653 1.00 0.00 C ATOM 996 CE1 PHE A 94 79.574 -0.921 7.400 1.00 0.00 C ATOM 997 CE2 PHE A 94 81.729 -2.002 7.131 1.00 0.00 C ATOM 998 CZ PHE A 94 80.917 -0.869 7.003 1.00 0.00 C ATOM 0 H PHE A 94 77.478 -5.177 10.046 1.00 0.00 H new ATOM 0 HA PHE A 94 77.489 -3.890 7.544 1.00 0.00 H new ATOM 0 HB2 PHE A 94 79.199 -4.442 9.697 1.00 0.00 H new ATOM 0 HB3 PHE A 94 79.959 -5.351 8.406 1.00 0.00 H new ATOM 0 HD1 PHE A 94 78.009 -2.148 8.227 1.00 0.00 H new ATOM 0 HD2 PHE A 94 81.825 -4.062 7.751 1.00 0.00 H new ATOM 0 HE1 PHE A 94 78.948 -0.046 7.303 1.00 0.00 H new ATOM 0 HE2 PHE A 94 82.765 -1.961 6.827 1.00 0.00 H new ATOM 0 HZ PHE A 94 81.325 0.045 6.598 1.00 0.00 H new ATOM 1008 N GLN A 95 78.213 -7.076 7.255 1.00 0.00 N ATOM 1009 CA GLN A 95 78.323 -8.152 6.229 1.00 0.00 C ATOM 1010 C GLN A 95 76.930 -8.672 5.861 1.00 0.00 C ATOM 1011 O GLN A 95 76.594 -8.797 4.701 1.00 0.00 O ATOM 1012 CB GLN A 95 79.153 -9.249 6.901 1.00 0.00 C ATOM 1013 CG GLN A 95 78.950 -10.576 6.164 1.00 0.00 C ATOM 1014 CD GLN A 95 78.108 -11.514 7.030 1.00 0.00 C ATOM 1015 OE1 GLN A 95 78.360 -11.660 8.210 1.00 0.00 O ATOM 1016 NE2 GLN A 95 77.111 -12.162 6.493 1.00 0.00 N ATOM 0 H GLN A 95 78.298 -7.389 8.222 1.00 0.00 H new ATOM 0 HA GLN A 95 78.783 -7.803 5.304 1.00 0.00 H new ATOM 0 HB2 GLN A 95 80.208 -8.976 6.894 1.00 0.00 H new ATOM 0 HB3 GLN A 95 78.858 -9.353 7.945 1.00 0.00 H new ATOM 0 HG2 GLN A 95 78.454 -10.402 5.209 1.00 0.00 H new ATOM 0 HG3 GLN A 95 79.914 -11.034 5.944 1.00 0.00 H new ATOM 0 HE21 GLN A 95 76.898 -12.041 5.503 1.00 0.00 H new ATOM 0 HE22 GLN A 95 76.545 -12.790 7.063 1.00 0.00 H new ATOM 1025 N GLU A 96 76.123 -8.980 6.843 1.00 0.00 N ATOM 1026 CA GLU A 96 74.750 -9.497 6.559 1.00 0.00 C ATOM 1027 C GLU A 96 74.136 -8.764 5.362 1.00 0.00 C ATOM 1028 O GLU A 96 73.380 -9.329 4.597 1.00 0.00 O ATOM 1029 CB GLU A 96 73.950 -9.210 7.829 1.00 0.00 C ATOM 1030 CG GLU A 96 73.586 -10.528 8.513 1.00 0.00 C ATOM 1031 CD GLU A 96 72.536 -10.269 9.596 1.00 0.00 C ATOM 1032 OE1 GLU A 96 72.922 -9.881 10.687 1.00 0.00 O ATOM 1033 OE2 GLU A 96 71.365 -10.462 9.316 1.00 0.00 O ATOM 0 H GLU A 96 76.356 -8.896 7.832 1.00 0.00 H new ATOM 0 HA GLU A 96 74.756 -10.558 6.308 1.00 0.00 H new ATOM 0 HB2 GLU A 96 74.534 -8.586 8.506 1.00 0.00 H new ATOM 0 HB3 GLU A 96 73.045 -8.654 7.583 1.00 0.00 H new ATOM 0 HG2 GLU A 96 73.200 -11.236 7.780 1.00 0.00 H new ATOM 0 HG3 GLU A 96 74.475 -10.979 8.954 1.00 0.00 H new ATOM 1040 N ALA A 97 74.456 -7.511 5.195 1.00 0.00 N ATOM 1041 CA ALA A 97 73.892 -6.744 4.047 1.00 0.00 C ATOM 1042 C ALA A 97 74.667 -7.064 2.766 1.00 0.00 C ATOM 1043 O ALA A 97 74.189 -7.766 1.896 1.00 0.00 O ATOM 1044 CB ALA A 97 74.071 -5.274 4.427 1.00 0.00 C ATOM 0 H ALA A 97 75.083 -6.984 5.803 1.00 0.00 H new ATOM 0 HA ALA A 97 72.848 -6.992 3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 97 73.679 -4.642 3.630 1.00 0.00 H new ATOM 0 HB2 ALA A 97 73.531 -5.069 5.352 1.00 0.00 H new ATOM 0 HB3 ALA A 97 75.130 -5.062 4.571 1.00 0.00 H new ATOM 1050 N ALA A 98 75.857 -6.550 2.648 1.00 0.00 N ATOM 1051 CA ALA A 98 76.671 -6.814 1.427 1.00 0.00 C ATOM 1052 C ALA A 98 76.623 -8.302 1.060 1.00 0.00 C ATOM 1053 O ALA A 98 76.530 -8.661 -0.097 1.00 0.00 O ATOM 1054 CB ALA A 98 78.095 -6.404 1.805 1.00 0.00 C ATOM 0 H ALA A 98 76.304 -5.956 3.346 1.00 0.00 H new ATOM 0 HA ALA A 98 76.301 -6.264 0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 98 78.758 -6.569 0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 98 78.110 -5.349 2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 98 78.433 -7.002 2.651 1.00 0.00 H new ATOM 1060 N PHE A 99 76.687 -9.169 2.034 1.00 0.00 N ATOM 1061 CA PHE A 99 76.648 -10.629 1.732 1.00 0.00 C ATOM 1062 C PHE A 99 75.250 -11.041 1.272 1.00 0.00 C ATOM 1063 O PHE A 99 75.041 -11.408 0.133 1.00 0.00 O ATOM 1064 CB PHE A 99 77.002 -11.321 3.049 1.00 0.00 C ATOM 1065 CG PHE A 99 78.498 -11.501 3.135 1.00 0.00 C ATOM 1066 CD1 PHE A 99 79.347 -10.397 2.984 1.00 0.00 C ATOM 1067 CD2 PHE A 99 79.037 -12.771 3.367 1.00 0.00 C ATOM 1068 CE1 PHE A 99 80.734 -10.565 3.063 1.00 0.00 C ATOM 1069 CE2 PHE A 99 80.425 -12.939 3.446 1.00 0.00 C ATOM 1070 CZ PHE A 99 81.273 -11.836 3.294 1.00 0.00 C ATOM 0 H PHE A 99 76.764 -8.931 3.023 1.00 0.00 H new ATOM 0 HA PHE A 99 77.337 -10.898 0.932 1.00 0.00 H new ATOM 0 HB2 PHE A 99 76.647 -10.727 3.891 1.00 0.00 H new ATOM 0 HB3 PHE A 99 76.504 -12.289 3.109 1.00 0.00 H new ATOM 0 HD1 PHE A 99 78.931 -9.416 2.807 1.00 0.00 H new ATOM 0 HD2 PHE A 99 78.383 -13.622 3.485 1.00 0.00 H new ATOM 0 HE1 PHE A 99 81.389 -9.714 2.946 1.00 0.00 H new ATOM 0 HE2 PHE A 99 80.841 -13.920 3.624 1.00 0.00 H new ATOM 0 HZ PHE A 99 82.343 -11.966 3.355 1.00 0.00 H new ATOM 1080 N ALA A 100 74.292 -10.979 2.150 1.00 0.00 N ATOM 1081 CA ALA A 100 72.904 -11.365 1.768 1.00 0.00 C ATOM 1082 C ALA A 100 72.531 -10.721 0.431 1.00 0.00 C ATOM 1083 O ALA A 100 71.894 -11.328 -0.407 1.00 0.00 O ATOM 1084 CB ALA A 100 72.020 -10.824 2.892 1.00 0.00 C ATOM 0 H ALA A 100 74.408 -10.678 3.118 1.00 0.00 H new ATOM 0 HA ALA A 100 72.790 -12.442 1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 100 70.978 -11.068 2.685 1.00 0.00 H new ATOM 0 HB2 ALA A 100 72.317 -11.276 3.838 1.00 0.00 H new ATOM 0 HB3 ALA A 100 72.134 -9.742 2.955 1.00 0.00 H new ATOM 1090 N LEU A 101 72.925 -9.494 0.229 1.00 0.00 N ATOM 1091 CA LEU A 101 72.600 -8.802 -1.049 1.00 0.00 C ATOM 1092 C LEU A 101 73.755 -8.965 -2.047 1.00 0.00 C ATOM 1093 O LEU A 101 74.851 -9.325 -1.666 1.00 0.00 O ATOM 1094 CB LEU A 101 72.430 -7.337 -0.652 1.00 0.00 C ATOM 1095 CG LEU A 101 71.182 -7.187 0.220 1.00 0.00 C ATOM 1096 CD1 LEU A 101 71.511 -6.319 1.436 1.00 0.00 C ATOM 1097 CD2 LEU A 101 70.068 -6.523 -0.592 1.00 0.00 C ATOM 0 H LEU A 101 73.460 -8.939 0.897 1.00 0.00 H new ATOM 0 HA LEU A 101 71.710 -9.204 -1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 101 73.310 -6.992 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 101 72.341 -6.716 -1.543 1.00 0.00 H new ATOM 0 HG LEU A 101 70.852 -8.171 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 101 70.622 -6.212 2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 101 72.305 -6.791 2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 101 71.841 -5.335 1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 101 69.179 -6.416 0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 101 70.398 -5.539 -0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 101 69.833 -7.140 -1.459 1.00 0.00 H new ATOM 1109 N PRO A 102 73.474 -8.693 -3.300 1.00 0.00 N ATOM 1110 CA PRO A 102 74.507 -8.815 -4.357 1.00 0.00 C ATOM 1111 C PRO A 102 75.682 -7.875 -4.069 1.00 0.00 C ATOM 1112 O PRO A 102 75.595 -6.997 -3.233 1.00 0.00 O ATOM 1113 CB PRO A 102 73.753 -8.376 -5.617 1.00 0.00 C ATOM 1114 CG PRO A 102 72.306 -8.014 -5.227 1.00 0.00 C ATOM 1115 CD PRO A 102 72.121 -8.257 -3.724 1.00 0.00 C ATOM 0 HA PRO A 102 74.936 -9.814 -4.437 1.00 0.00 H new ATOM 0 HB2 PRO A 102 74.247 -7.518 -6.073 1.00 0.00 H new ATOM 0 HB3 PRO A 102 73.756 -9.176 -6.357 1.00 0.00 H new ATOM 0 HG2 PRO A 102 72.100 -6.971 -5.468 1.00 0.00 H new ATOM 0 HG3 PRO A 102 71.600 -8.618 -5.796 1.00 0.00 H new ATOM 0 HD2 PRO A 102 71.804 -7.354 -3.203 1.00 0.00 H new ATOM 0 HD3 PRO A 102 71.368 -9.020 -3.526 1.00 0.00 H new ATOM 1123 N VAL A 103 76.781 -8.048 -4.754 1.00 0.00 N ATOM 1124 CA VAL A 103 77.946 -7.174 -4.524 1.00 0.00 C ATOM 1125 C VAL A 103 77.580 -5.713 -4.810 1.00 0.00 C ATOM 1126 O VAL A 103 76.421 -5.350 -4.840 1.00 0.00 O ATOM 1127 CB VAL A 103 78.989 -7.690 -5.512 1.00 0.00 C ATOM 1128 CG1 VAL A 103 79.549 -9.025 -5.016 1.00 0.00 C ATOM 1129 CG2 VAL A 103 78.367 -7.884 -6.896 1.00 0.00 C ATOM 0 H VAL A 103 76.913 -8.766 -5.467 1.00 0.00 H new ATOM 0 HA VAL A 103 78.305 -7.197 -3.495 1.00 0.00 H new ATOM 0 HB VAL A 103 79.792 -6.957 -5.586 1.00 0.00 H new ATOM 0 HG11 VAL A 103 80.294 -9.392 -5.722 1.00 0.00 H new ATOM 0 HG12 VAL A 103 80.013 -8.885 -4.040 1.00 0.00 H new ATOM 0 HG13 VAL A 103 78.740 -9.750 -4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 103 79.125 -8.252 -7.587 1.00 0.00 H new ATOM 0 HG22 VAL A 103 77.553 -8.606 -6.831 1.00 0.00 H new ATOM 0 HG23 VAL A 103 77.979 -6.932 -7.257 1.00 0.00 H new ATOM 1139 N SER A 104 78.558 -4.874 -5.014 1.00 0.00 N ATOM 1140 CA SER A 104 78.264 -3.436 -5.291 1.00 0.00 C ATOM 1141 C SER A 104 77.412 -2.844 -4.163 1.00 0.00 C ATOM 1142 O SER A 104 76.918 -3.553 -3.310 1.00 0.00 O ATOM 1143 CB SER A 104 77.488 -3.436 -6.608 1.00 0.00 C ATOM 1144 OG SER A 104 78.371 -3.745 -7.677 1.00 0.00 O ATOM 0 H SER A 104 79.548 -5.120 -5.001 1.00 0.00 H new ATOM 0 HA SER A 104 79.170 -2.833 -5.354 1.00 0.00 H new ATOM 0 HB2 SER A 104 76.680 -4.167 -6.567 1.00 0.00 H new ATOM 0 HB3 SER A 104 77.028 -2.461 -6.772 1.00 0.00 H new ATOM 0 HG SER A 104 77.874 -3.747 -8.522 1.00 0.00 H new ATOM 1150 N GLY A 105 77.238 -1.548 -4.150 1.00 0.00 N ATOM 1151 CA GLY A 105 76.420 -0.919 -3.074 1.00 0.00 C ATOM 1152 C GLY A 105 75.711 0.321 -3.618 1.00 0.00 C ATOM 1153 O GLY A 105 74.684 0.220 -4.258 1.00 0.00 O ATOM 0 H GLY A 105 77.626 -0.901 -4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 105 75.687 -1.633 -2.698 1.00 0.00 H new ATOM 0 HA3 GLY A 105 77.058 -0.645 -2.234 1.00 0.00 H new ATOM 1157 N MET A 106 76.267 1.484 -3.366 1.00 0.00 N ATOM 1158 CA MET A 106 75.660 2.753 -3.849 1.00 0.00 C ATOM 1159 C MET A 106 74.134 2.627 -3.973 1.00 0.00 C ATOM 1160 O MET A 106 73.480 2.100 -3.096 1.00 0.00 O ATOM 1161 CB MET A 106 76.327 2.994 -5.198 1.00 0.00 C ATOM 1162 CG MET A 106 75.803 1.998 -6.230 1.00 0.00 C ATOM 1163 SD MET A 106 75.471 2.861 -7.786 1.00 0.00 S ATOM 1164 CE MET A 106 77.166 2.842 -8.419 1.00 0.00 C ATOM 0 H MET A 106 77.131 1.602 -2.836 1.00 0.00 H new ATOM 0 HA MET A 106 75.818 3.585 -3.163 1.00 0.00 H new ATOM 0 HB2 MET A 106 76.130 4.013 -5.532 1.00 0.00 H new ATOM 0 HB3 MET A 106 77.408 2.893 -5.101 1.00 0.00 H new ATOM 0 HG2 MET A 106 76.534 1.205 -6.390 1.00 0.00 H new ATOM 0 HG3 MET A 106 74.893 1.523 -5.864 1.00 0.00 H new ATOM 0 HE1 MET A 106 77.197 3.333 -9.392 1.00 0.00 H new ATOM 0 HE2 MET A 106 77.820 3.370 -7.725 1.00 0.00 H new ATOM 0 HE3 MET A 106 77.504 1.811 -8.522 1.00 0.00 H new ATOM 1174 N ASP A 107 73.562 3.100 -5.046 1.00 0.00 N ATOM 1175 CA ASP A 107 72.080 2.994 -5.197 1.00 0.00 C ATOM 1176 C ASP A 107 71.706 2.538 -6.611 1.00 0.00 C ATOM 1177 O ASP A 107 71.301 3.328 -7.441 1.00 0.00 O ATOM 1178 CB ASP A 107 71.552 4.405 -4.932 1.00 0.00 C ATOM 1179 CG ASP A 107 72.085 5.360 -6.002 1.00 0.00 C ATOM 1180 OD1 ASP A 107 73.133 5.073 -6.556 1.00 0.00 O ATOM 1181 OD2 ASP A 107 71.435 6.363 -6.248 1.00 0.00 O ATOM 0 H ASP A 107 74.050 3.552 -5.819 1.00 0.00 H new ATOM 0 HA ASP A 107 71.655 2.260 -4.513 1.00 0.00 H new ATOM 0 HB2 ASP A 107 70.462 4.404 -4.941 1.00 0.00 H new ATOM 0 HB3 ASP A 107 71.863 4.741 -3.943 1.00 0.00 H new ATOM 1186 N LYS A 108 71.827 1.268 -6.890 1.00 0.00 N ATOM 1187 CA LYS A 108 71.467 0.763 -8.245 1.00 0.00 C ATOM 1188 C LYS A 108 71.827 -0.726 -8.387 1.00 0.00 C ATOM 1189 O LYS A 108 70.985 -1.520 -8.756 1.00 0.00 O ATOM 1190 CB LYS A 108 72.272 1.614 -9.221 1.00 0.00 C ATOM 1191 CG LYS A 108 71.334 2.213 -10.272 1.00 0.00 C ATOM 1192 CD LYS A 108 72.159 2.760 -11.439 1.00 0.00 C ATOM 1193 CE LYS A 108 71.822 1.980 -12.711 1.00 0.00 C ATOM 1194 NZ LYS A 108 70.544 2.572 -13.194 1.00 0.00 N ATOM 0 H LYS A 108 72.160 0.558 -6.237 1.00 0.00 H new ATOM 0 HA LYS A 108 70.396 0.839 -8.434 1.00 0.00 H new ATOM 0 HB2 LYS A 108 72.790 2.409 -8.685 1.00 0.00 H new ATOM 0 HB3 LYS A 108 73.036 1.006 -9.705 1.00 0.00 H new ATOM 0 HG2 LYS A 108 70.638 1.454 -10.629 1.00 0.00 H new ATOM 0 HG3 LYS A 108 70.737 3.010 -9.830 1.00 0.00 H new ATOM 0 HD2 LYS A 108 71.948 3.820 -11.583 1.00 0.00 H new ATOM 0 HD3 LYS A 108 73.223 2.674 -11.218 1.00 0.00 H new ATOM 0 HE2 LYS A 108 72.611 2.080 -13.457 1.00 0.00 H new ATOM 0 HE3 LYS A 108 71.712 0.915 -12.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 70.263 2.113 -14.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 69.802 2.426 -12.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 70.673 3.591 -13.356 1.00 0.00 H new ATOM 1208 N PRO A 109 73.063 -1.069 -8.096 1.00 0.00 N ATOM 1209 CA PRO A 109 73.499 -2.483 -8.207 1.00 0.00 C ATOM 1210 C PRO A 109 72.780 -3.347 -7.167 1.00 0.00 C ATOM 1211 O PRO A 109 71.873 -4.092 -7.482 1.00 0.00 O ATOM 1212 CB PRO A 109 74.996 -2.401 -7.897 1.00 0.00 C ATOM 1213 CG PRO A 109 75.361 -0.933 -7.611 1.00 0.00 C ATOM 1214 CD PRO A 109 74.082 -0.088 -7.649 1.00 0.00 C ATOM 0 HA PRO A 109 73.282 -2.931 -9.176 1.00 0.00 H new ATOM 0 HB2 PRO A 109 75.239 -3.025 -7.037 1.00 0.00 H new ATOM 0 HB3 PRO A 109 75.577 -2.778 -8.738 1.00 0.00 H new ATOM 0 HG2 PRO A 109 75.841 -0.847 -6.636 1.00 0.00 H new ATOM 0 HG3 PRO A 109 76.075 -0.571 -8.351 1.00 0.00 H new ATOM 0 HD2 PRO A 109 73.842 0.329 -6.671 1.00 0.00 H new ATOM 0 HD3 PRO A 109 74.170 0.750 -8.341 1.00 0.00 H new ATOM 1222 N VAL A 110 73.185 -3.251 -5.931 1.00 0.00 N ATOM 1223 CA VAL A 110 72.536 -4.062 -4.863 1.00 0.00 C ATOM 1224 C VAL A 110 71.032 -3.761 -4.807 1.00 0.00 C ATOM 1225 O VAL A 110 70.472 -3.194 -5.725 1.00 0.00 O ATOM 1226 CB VAL A 110 73.243 -3.633 -3.570 1.00 0.00 C ATOM 1227 CG1 VAL A 110 72.620 -2.342 -3.032 1.00 0.00 C ATOM 1228 CG2 VAL A 110 73.108 -4.739 -2.523 1.00 0.00 C ATOM 0 H VAL A 110 73.940 -2.643 -5.614 1.00 0.00 H new ATOM 0 HA VAL A 110 72.624 -5.135 -5.033 1.00 0.00 H new ATOM 0 HB VAL A 110 74.297 -3.457 -3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 110 73.129 -2.047 -2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 110 72.723 -1.551 -3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 110 71.563 -2.508 -2.823 1.00 0.00 H new ATOM 0 HG21 VAL A 110 73.610 -4.434 -1.605 1.00 0.00 H new ATOM 0 HG22 VAL A 110 72.053 -4.918 -2.317 1.00 0.00 H new ATOM 0 HG23 VAL A 110 73.565 -5.654 -2.900 1.00 0.00 H new ATOM 1238 N PHE A 111 70.374 -4.137 -3.743 1.00 0.00 N ATOM 1239 CA PHE A 111 68.910 -3.871 -3.641 1.00 0.00 C ATOM 1240 C PHE A 111 68.610 -2.974 -2.438 1.00 0.00 C ATOM 1241 O PHE A 111 67.688 -2.183 -2.457 1.00 0.00 O ATOM 1242 CB PHE A 111 68.270 -5.247 -3.455 1.00 0.00 C ATOM 1243 CG PHE A 111 68.058 -5.892 -4.803 1.00 0.00 C ATOM 1244 CD1 PHE A 111 69.088 -6.635 -5.393 1.00 0.00 C ATOM 1245 CD2 PHE A 111 66.831 -5.749 -5.463 1.00 0.00 C ATOM 1246 CE1 PHE A 111 68.892 -7.234 -6.643 1.00 0.00 C ATOM 1247 CE2 PHE A 111 66.636 -6.349 -6.713 1.00 0.00 C ATOM 1248 CZ PHE A 111 67.665 -7.091 -7.303 1.00 0.00 C ATOM 0 H PHE A 111 70.786 -4.616 -2.942 1.00 0.00 H new ATOM 0 HA PHE A 111 68.525 -3.355 -4.521 1.00 0.00 H new ATOM 0 HB2 PHE A 111 68.909 -5.876 -2.836 1.00 0.00 H new ATOM 0 HB3 PHE A 111 67.318 -5.149 -2.933 1.00 0.00 H new ATOM 0 HD1 PHE A 111 70.034 -6.746 -4.884 1.00 0.00 H new ATOM 0 HD2 PHE A 111 66.036 -5.177 -5.008 1.00 0.00 H new ATOM 0 HE1 PHE A 111 69.687 -7.806 -7.098 1.00 0.00 H new ATOM 0 HE2 PHE A 111 65.690 -6.239 -7.222 1.00 0.00 H new ATOM 0 HZ PHE A 111 67.513 -7.553 -8.267 1.00 0.00 H new ATOM 1258 N THR A 112 69.376 -3.091 -1.388 1.00 0.00 N ATOM 1259 CA THR A 112 69.123 -2.244 -0.186 1.00 0.00 C ATOM 1260 C THR A 112 69.598 -0.814 -0.433 1.00 0.00 C ATOM 1261 O THR A 112 70.046 -0.470 -1.508 1.00 0.00 O ATOM 1262 CB THR A 112 69.933 -2.879 0.946 1.00 0.00 C ATOM 1263 OG1 THR A 112 69.849 -2.054 2.100 1.00 0.00 O ATOM 1264 CG2 THR A 112 71.399 -3.017 0.525 1.00 0.00 C ATOM 0 H THR A 112 70.164 -3.734 -1.310 1.00 0.00 H new ATOM 0 HA THR A 112 68.061 -2.195 0.053 1.00 0.00 H new ATOM 0 HB THR A 112 69.531 -3.867 1.167 1.00 0.00 H new ATOM 0 HG1 THR A 112 70.662 -1.512 2.175 1.00 0.00 H new ATOM 0 HG21 THR A 112 71.969 -3.470 1.336 1.00 0.00 H new ATOM 0 HG22 THR A 112 71.465 -3.648 -0.361 1.00 0.00 H new ATOM 0 HG23 THR A 112 71.807 -2.032 0.300 1.00 0.00 H new ATOM 1272 N ASP A 113 69.513 0.015 0.567 1.00 0.00 N ATOM 1273 CA ASP A 113 69.970 1.424 0.409 1.00 0.00 C ATOM 1274 C ASP A 113 71.437 1.527 0.832 1.00 0.00 C ATOM 1275 O ASP A 113 71.854 0.861 1.759 1.00 0.00 O ATOM 1276 CB ASP A 113 69.079 2.240 1.345 1.00 0.00 C ATOM 1277 CG ASP A 113 67.619 1.835 1.139 1.00 0.00 C ATOM 1278 OD1 ASP A 113 67.354 1.109 0.194 1.00 0.00 O ATOM 1279 OD2 ASP A 113 66.789 2.257 1.928 1.00 0.00 O ATOM 0 H ASP A 113 69.146 -0.221 1.489 1.00 0.00 H new ATOM 0 HA ASP A 113 69.899 1.780 -0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 113 69.372 2.072 2.381 1.00 0.00 H new ATOM 0 HB3 ASP A 113 69.204 3.305 1.147 1.00 0.00 H new ATOM 1284 N PRO A 114 72.186 2.345 0.138 1.00 0.00 N ATOM 1285 CA PRO A 114 73.618 2.501 0.461 1.00 0.00 C ATOM 1286 C PRO A 114 73.817 2.861 1.942 1.00 0.00 C ATOM 1287 O PRO A 114 74.468 2.131 2.659 1.00 0.00 O ATOM 1288 CB PRO A 114 74.063 3.621 -0.484 1.00 0.00 C ATOM 1289 CG PRO A 114 72.842 4.075 -1.311 1.00 0.00 C ATOM 1290 CD PRO A 114 71.658 3.150 -0.990 1.00 0.00 C ATOM 0 HA PRO A 114 74.201 1.590 0.326 1.00 0.00 H new ATOM 0 HB2 PRO A 114 74.468 4.458 0.084 1.00 0.00 H new ATOM 0 HB3 PRO A 114 74.857 3.269 -1.142 1.00 0.00 H new ATOM 0 HG2 PRO A 114 72.589 5.109 -1.075 1.00 0.00 H new ATOM 0 HG3 PRO A 114 73.072 4.039 -2.376 1.00 0.00 H new ATOM 0 HD2 PRO A 114 70.768 3.712 -0.708 1.00 0.00 H new ATOM 0 HD3 PRO A 114 71.385 2.527 -1.842 1.00 0.00 H new ATOM 1298 N PRO A 115 73.247 3.964 2.367 1.00 0.00 N ATOM 1299 CA PRO A 115 73.376 4.392 3.782 1.00 0.00 C ATOM 1300 C PRO A 115 72.832 3.310 4.719 1.00 0.00 C ATOM 1301 O PRO A 115 71.721 3.403 5.201 1.00 0.00 O ATOM 1302 CB PRO A 115 72.487 5.634 3.840 1.00 0.00 C ATOM 1303 CG PRO A 115 71.865 5.864 2.449 1.00 0.00 C ATOM 1304 CD PRO A 115 72.441 4.828 1.476 1.00 0.00 C ATOM 0 HA PRO A 115 74.406 4.576 4.088 1.00 0.00 H new ATOM 0 HB2 PRO A 115 71.704 5.503 4.587 1.00 0.00 H new ATOM 0 HB3 PRO A 115 73.072 6.503 4.140 1.00 0.00 H new ATOM 0 HG2 PRO A 115 70.780 5.772 2.500 1.00 0.00 H new ATOM 0 HG3 PRO A 115 72.083 6.873 2.100 1.00 0.00 H new ATOM 0 HD2 PRO A 115 71.656 4.267 0.969 1.00 0.00 H new ATOM 0 HD3 PRO A 115 73.051 5.294 0.702 1.00 0.00 H new ATOM 1312 N VAL A 116 73.596 2.289 4.989 1.00 0.00 N ATOM 1313 CA VAL A 116 73.099 1.223 5.899 1.00 0.00 C ATOM 1314 C VAL A 116 73.471 1.568 7.342 1.00 0.00 C ATOM 1315 O VAL A 116 74.467 2.218 7.595 1.00 0.00 O ATOM 1316 CB VAL A 116 73.801 -0.057 5.441 1.00 0.00 C ATOM 1317 CG1 VAL A 116 73.783 -0.134 3.912 1.00 0.00 C ATOM 1318 CG2 VAL A 116 75.248 -0.064 5.935 1.00 0.00 C ATOM 0 H VAL A 116 74.537 2.148 4.621 1.00 0.00 H new ATOM 0 HA VAL A 116 72.015 1.112 5.865 1.00 0.00 H new ATOM 0 HB VAL A 116 73.277 -0.918 5.855 1.00 0.00 H new ATOM 0 HG11 VAL A 116 74.284 -1.046 3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 116 72.751 -0.141 3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 116 74.301 0.731 3.498 1.00 0.00 H new ATOM 0 HG21 VAL A 116 75.741 -0.978 5.605 1.00 0.00 H new ATOM 0 HG22 VAL A 116 75.775 0.799 5.529 1.00 0.00 H new ATOM 0 HG23 VAL A 116 75.261 -0.018 7.024 1.00 0.00 H new ATOM 1328 N LYS A 117 72.680 1.152 8.288 1.00 0.00 N ATOM 1329 CA LYS A 117 72.996 1.476 9.706 1.00 0.00 C ATOM 1330 C LYS A 117 73.563 0.253 10.430 1.00 0.00 C ATOM 1331 O LYS A 117 73.077 -0.851 10.287 1.00 0.00 O ATOM 1332 CB LYS A 117 71.666 1.896 10.324 1.00 0.00 C ATOM 1333 CG LYS A 117 71.931 2.841 11.497 1.00 0.00 C ATOM 1334 CD LYS A 117 71.052 4.086 11.358 1.00 0.00 C ATOM 1335 CE LYS A 117 70.425 4.420 12.713 1.00 0.00 C ATOM 1336 NZ LYS A 117 69.168 3.621 12.759 1.00 0.00 N ATOM 0 H LYS A 117 71.832 0.604 8.143 1.00 0.00 H new ATOM 0 HA LYS A 117 73.750 2.259 9.785 1.00 0.00 H new ATOM 0 HB2 LYS A 117 71.044 2.390 9.577 1.00 0.00 H new ATOM 0 HB3 LYS A 117 71.117 1.018 10.666 1.00 0.00 H new ATOM 0 HG2 LYS A 117 71.719 2.336 12.440 1.00 0.00 H new ATOM 0 HG3 LYS A 117 72.983 3.126 11.518 1.00 0.00 H new ATOM 0 HD2 LYS A 117 71.648 4.927 11.003 1.00 0.00 H new ATOM 0 HD3 LYS A 117 70.272 3.913 10.617 1.00 0.00 H new ATOM 0 HE2 LYS A 117 71.092 4.155 13.533 1.00 0.00 H new ATOM 0 HE3 LYS A 117 70.219 5.487 12.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 68.679 3.795 13.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 68.551 3.900 11.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 69.396 2.610 12.679 1.00 0.00 H new ATOM 1350 N THR A 118 74.587 0.451 11.213 1.00 0.00 N ATOM 1351 CA THR A 118 75.191 -0.688 11.957 1.00 0.00 C ATOM 1352 C THR A 118 75.188 -0.387 13.458 1.00 0.00 C ATOM 1353 O THR A 118 75.058 -1.273 14.279 1.00 0.00 O ATOM 1354 CB THR A 118 76.624 -0.787 11.430 1.00 0.00 C ATOM 1355 OG1 THR A 118 77.336 0.393 11.779 1.00 0.00 O ATOM 1356 CG2 THR A 118 76.601 -0.939 9.908 1.00 0.00 C ATOM 0 H THR A 118 75.032 1.355 11.370 1.00 0.00 H new ATOM 0 HA THR A 118 74.642 -1.619 11.816 1.00 0.00 H new ATOM 0 HB THR A 118 77.115 -1.654 11.872 1.00 0.00 H new ATOM 0 HG1 THR A 118 78.255 0.332 11.444 1.00 0.00 H new ATOM 0 HG21 THR A 118 77.622 -1.009 9.534 1.00 0.00 H new ATOM 0 HG22 THR A 118 76.054 -1.843 9.641 1.00 0.00 H new ATOM 0 HG23 THR A 118 76.111 -0.073 9.463 1.00 0.00 H new ATOM 1364 N LYS A 119 75.326 0.860 13.820 1.00 0.00 N ATOM 1365 CA LYS A 119 75.328 1.224 15.268 1.00 0.00 C ATOM 1366 C LYS A 119 75.626 2.716 15.445 1.00 0.00 C ATOM 1367 O LYS A 119 75.213 3.331 16.408 1.00 0.00 O ATOM 1368 CB LYS A 119 76.444 0.383 15.892 1.00 0.00 C ATOM 1369 CG LYS A 119 75.945 -0.230 17.200 1.00 0.00 C ATOM 1370 CD LYS A 119 76.808 -1.441 17.561 1.00 0.00 C ATOM 1371 CE LYS A 119 76.244 -2.691 16.880 1.00 0.00 C ATOM 1372 NZ LYS A 119 77.350 -3.689 16.938 1.00 0.00 N ATOM 0 H LYS A 119 75.438 1.643 13.176 1.00 0.00 H new ATOM 0 HA LYS A 119 74.362 1.035 15.736 1.00 0.00 H new ATOM 0 HB2 LYS A 119 76.751 -0.403 15.203 1.00 0.00 H new ATOM 0 HB3 LYS A 119 77.321 1.003 16.079 1.00 0.00 H new ATOM 0 HG2 LYS A 119 75.986 0.510 17.999 1.00 0.00 H new ATOM 0 HG3 LYS A 119 74.902 -0.531 17.098 1.00 0.00 H new ATOM 0 HD2 LYS A 119 77.838 -1.275 17.244 1.00 0.00 H new ATOM 0 HD3 LYS A 119 76.825 -1.579 18.642 1.00 0.00 H new ATOM 0 HE2 LYS A 119 75.355 -3.055 17.395 1.00 0.00 H new ATOM 0 HE3 LYS A 119 75.953 -2.483 15.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 77.041 -4.576 16.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 78.180 -3.317 16.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 77.601 -3.872 17.931 1.00 0.00 H new ATOM 1386 N PHE A 120 76.347 3.301 14.528 1.00 0.00 N ATOM 1387 CA PHE A 120 76.678 4.751 14.650 1.00 0.00 C ATOM 1388 C PHE A 120 75.725 5.598 13.799 1.00 0.00 C ATOM 1389 O PHE A 120 75.103 6.522 14.283 1.00 0.00 O ATOM 1390 CB PHE A 120 78.110 4.873 14.129 1.00 0.00 C ATOM 1391 CG PHE A 120 78.980 5.509 15.186 1.00 0.00 C ATOM 1392 CD1 PHE A 120 79.561 4.718 16.184 1.00 0.00 C ATOM 1393 CD2 PHE A 120 79.207 6.891 15.169 1.00 0.00 C ATOM 1394 CE1 PHE A 120 80.370 5.307 17.163 1.00 0.00 C ATOM 1395 CE2 PHE A 120 80.014 7.481 16.148 1.00 0.00 C ATOM 1396 CZ PHE A 120 80.596 6.689 17.146 1.00 0.00 C ATOM 0 H PHE A 120 76.722 2.839 13.700 1.00 0.00 H new ATOM 0 HA PHE A 120 76.580 5.107 15.676 1.00 0.00 H new ATOM 0 HB2 PHE A 120 78.498 3.888 13.868 1.00 0.00 H new ATOM 0 HB3 PHE A 120 78.127 5.474 13.220 1.00 0.00 H new ATOM 0 HD1 PHE A 120 79.385 3.653 16.199 1.00 0.00 H new ATOM 0 HD2 PHE A 120 78.759 7.502 14.399 1.00 0.00 H new ATOM 0 HE1 PHE A 120 80.820 4.696 17.931 1.00 0.00 H new ATOM 0 HE2 PHE A 120 80.188 8.547 16.134 1.00 0.00 H new ATOM 0 HZ PHE A 120 81.219 7.144 17.902 1.00 0.00 H new ATOM 1406 N GLY A 121 75.610 5.294 12.535 1.00 0.00 N ATOM 1407 CA GLY A 121 74.700 6.088 11.659 1.00 0.00 C ATOM 1408 C GLY A 121 74.515 5.366 10.323 1.00 0.00 C ATOM 1409 O GLY A 121 74.479 4.155 10.264 1.00 0.00 O ATOM 0 H GLY A 121 76.105 4.532 12.071 1.00 0.00 H new ATOM 0 HA2 GLY A 121 73.735 6.223 12.147 1.00 0.00 H new ATOM 0 HA3 GLY A 121 75.115 7.082 11.492 1.00 0.00 H new ATOM 1413 N TYR A 122 74.397 6.102 9.250 1.00 0.00 N ATOM 1414 CA TYR A 122 74.213 5.453 7.919 1.00 0.00 C ATOM 1415 C TYR A 122 75.544 5.395 7.167 1.00 0.00 C ATOM 1416 O TYR A 122 76.385 6.259 7.311 1.00 0.00 O ATOM 1417 CB TYR A 122 73.216 6.344 7.180 1.00 0.00 C ATOM 1418 CG TYR A 122 71.812 5.920 7.534 1.00 0.00 C ATOM 1419 CD1 TYR A 122 71.467 4.563 7.519 1.00 0.00 C ATOM 1420 CD2 TYR A 122 70.857 6.881 7.879 1.00 0.00 C ATOM 1421 CE1 TYR A 122 70.166 4.168 7.849 1.00 0.00 C ATOM 1422 CE2 TYR A 122 69.554 6.487 8.210 1.00 0.00 C ATOM 1423 CZ TYR A 122 69.209 5.130 8.194 1.00 0.00 C ATOM 1424 OH TYR A 122 67.927 4.741 8.521 1.00 0.00 O ATOM 0 H TYR A 122 74.420 7.122 9.237 1.00 0.00 H new ATOM 0 HA TYR A 122 73.856 4.427 8.006 1.00 0.00 H new ATOM 0 HB2 TYR A 122 73.373 7.388 7.452 1.00 0.00 H new ATOM 0 HB3 TYR A 122 73.371 6.268 6.104 1.00 0.00 H new ATOM 0 HD1 TYR A 122 72.205 3.821 7.253 1.00 0.00 H new ATOM 0 HD2 TYR A 122 71.124 7.927 7.890 1.00 0.00 H new ATOM 0 HE1 TYR A 122 69.900 3.121 7.838 1.00 0.00 H new ATOM 0 HE2 TYR A 122 68.816 7.229 8.477 1.00 0.00 H new ATOM 0 HH TYR A 122 67.390 5.532 8.736 1.00 0.00 H new ATOM 1434 N HIS A 123 75.746 4.380 6.373 1.00 0.00 N ATOM 1435 CA HIS A 123 77.035 4.268 5.623 1.00 0.00 C ATOM 1436 C HIS A 123 76.802 3.542 4.296 1.00 0.00 C ATOM 1437 O HIS A 123 76.064 2.582 4.234 1.00 0.00 O ATOM 1438 CB HIS A 123 77.975 3.440 6.520 1.00 0.00 C ATOM 1439 CG HIS A 123 77.544 3.520 7.966 1.00 0.00 C ATOM 1440 ND1 HIS A 123 77.675 4.677 8.714 1.00 0.00 N ATOM 1441 CD2 HIS A 123 76.976 2.594 8.806 1.00 0.00 C ATOM 1442 CE1 HIS A 123 77.201 4.421 9.946 1.00 0.00 C ATOM 1443 NE2 HIS A 123 76.762 3.165 10.057 1.00 0.00 N ATOM 0 H HIS A 123 75.080 3.625 6.210 1.00 0.00 H new ATOM 0 HA HIS A 123 77.457 5.247 5.397 1.00 0.00 H new ATOM 0 HB2 HIS A 123 77.975 2.400 6.193 1.00 0.00 H new ATOM 0 HB3 HIS A 123 78.997 3.806 6.419 1.00 0.00 H new ATOM 0 HD2 HIS A 123 76.732 1.577 8.537 1.00 0.00 H new ATOM 0 HE1 HIS A 123 77.178 5.144 10.748 1.00 0.00 H new ATOM 0 HE2 HIS A 123 76.357 2.720 10.881 1.00 0.00 H new ATOM 1451 N ILE A 124 77.433 3.978 3.234 1.00 0.00 N ATOM 1452 CA ILE A 124 77.237 3.289 1.923 1.00 0.00 C ATOM 1453 C ILE A 124 78.268 2.166 1.766 1.00 0.00 C ATOM 1454 O ILE A 124 79.460 2.384 1.883 1.00 0.00 O ATOM 1455 CB ILE A 124 77.448 4.360 0.847 1.00 0.00 C ATOM 1456 CG1 ILE A 124 76.620 5.609 1.176 1.00 0.00 C ATOM 1457 CG2 ILE A 124 77.007 3.805 -0.508 1.00 0.00 C ATOM 1458 CD1 ILE A 124 76.766 6.634 0.043 1.00 0.00 C ATOM 0 H ILE A 124 78.070 4.774 3.218 1.00 0.00 H new ATOM 0 HA ILE A 124 76.247 2.840 1.846 1.00 0.00 H new ATOM 0 HB ILE A 124 78.503 4.631 0.814 1.00 0.00 H new ATOM 0 HG12 ILE A 124 75.572 5.340 1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 124 76.955 6.043 2.118 1.00 0.00 H new ATOM 0 HG21 ILE A 124 77.155 4.563 -1.277 1.00 0.00 H new ATOM 0 HG22 ILE A 124 77.599 2.922 -0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 124 75.952 3.534 -0.464 1.00 0.00 H new ATOM 0 HD11 ILE A 124 76.178 7.521 0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 124 77.815 6.912 -0.064 1.00 0.00 H new ATOM 0 HD13 ILE A 124 76.410 6.198 -0.890 1.00 0.00 H new ATOM 1470 N ILE A 125 77.816 0.967 1.511 1.00 0.00 N ATOM 1471 CA ILE A 125 78.756 -0.175 1.352 1.00 0.00 C ATOM 1472 C ILE A 125 78.643 -0.761 -0.058 1.00 0.00 C ATOM 1473 O ILE A 125 77.654 -1.378 -0.400 1.00 0.00 O ATOM 1474 CB ILE A 125 78.283 -1.203 2.380 1.00 0.00 C ATOM 1475 CG1 ILE A 125 78.717 -0.777 3.783 1.00 0.00 C ATOM 1476 CG2 ILE A 125 78.884 -2.566 2.053 1.00 0.00 C ATOM 1477 CD1 ILE A 125 77.956 -1.609 4.818 1.00 0.00 C ATOM 0 H ILE A 125 76.829 0.731 1.406 1.00 0.00 H new ATOM 0 HA ILE A 125 79.795 0.119 1.497 1.00 0.00 H new ATOM 0 HB ILE A 125 77.195 -1.266 2.346 1.00 0.00 H new ATOM 0 HG12 ILE A 125 79.791 -0.918 3.903 1.00 0.00 H new ATOM 0 HG13 ILE A 125 78.516 0.284 3.933 1.00 0.00 H new ATOM 0 HG21 ILE A 125 78.546 -3.298 2.787 1.00 0.00 H new ATOM 0 HG22 ILE A 125 78.564 -2.875 1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 125 79.972 -2.500 2.081 1.00 0.00 H new ATOM 0 HD11 ILE A 125 78.261 -1.310 5.821 1.00 0.00 H new ATOM 0 HD12 ILE A 125 76.885 -1.445 4.700 1.00 0.00 H new ATOM 0 HD13 ILE A 125 78.179 -2.666 4.671 1.00 0.00 H new ATOM 1489 N MET A 126 79.649 -0.599 -0.873 1.00 0.00 N ATOM 1490 CA MET A 126 79.577 -1.179 -2.245 1.00 0.00 C ATOM 1491 C MET A 126 80.639 -2.264 -2.405 1.00 0.00 C ATOM 1492 O MET A 126 81.819 -2.029 -2.236 1.00 0.00 O ATOM 1493 CB MET A 126 79.822 -0.017 -3.210 1.00 0.00 C ATOM 1494 CG MET A 126 81.009 0.817 -2.734 1.00 0.00 C ATOM 1495 SD MET A 126 81.496 1.963 -4.048 1.00 0.00 S ATOM 1496 CE MET A 126 80.510 3.379 -3.501 1.00 0.00 C ATOM 0 H MET A 126 80.509 -0.096 -0.653 1.00 0.00 H new ATOM 0 HA MET A 126 78.612 -1.646 -2.442 1.00 0.00 H new ATOM 0 HB2 MET A 126 80.015 -0.400 -4.212 1.00 0.00 H new ATOM 0 HB3 MET A 126 78.931 0.607 -3.274 1.00 0.00 H new ATOM 0 HG2 MET A 126 80.742 1.370 -1.833 1.00 0.00 H new ATOM 0 HG3 MET A 126 81.844 0.167 -2.474 1.00 0.00 H new ATOM 0 HE1 MET A 126 81.093 4.293 -3.612 1.00 0.00 H new ATOM 0 HE2 MET A 126 79.607 3.449 -4.107 1.00 0.00 H new ATOM 0 HE3 MET A 126 80.235 3.249 -2.454 1.00 0.00 H new ATOM 1506 N VAL A 127 80.216 -3.456 -2.720 1.00 0.00 N ATOM 1507 CA VAL A 127 81.172 -4.589 -2.881 1.00 0.00 C ATOM 1508 C VAL A 127 81.658 -4.668 -4.330 1.00 0.00 C ATOM 1509 O VAL A 127 80.955 -4.293 -5.247 1.00 0.00 O ATOM 1510 CB VAL A 127 80.350 -5.824 -2.516 1.00 0.00 C ATOM 1511 CG1 VAL A 127 81.041 -7.077 -3.054 1.00 0.00 C ATOM 1512 CG2 VAL A 127 80.218 -5.917 -0.993 1.00 0.00 C ATOM 0 H VAL A 127 79.237 -3.697 -2.875 1.00 0.00 H new ATOM 0 HA VAL A 127 82.062 -4.485 -2.261 1.00 0.00 H new ATOM 0 HB VAL A 127 79.357 -5.745 -2.959 1.00 0.00 H new ATOM 0 HG11 VAL A 127 80.453 -7.957 -2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 127 81.128 -7.007 -4.138 1.00 0.00 H new ATOM 0 HG13 VAL A 127 82.035 -7.161 -2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 127 79.632 -6.798 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 127 81.209 -5.995 -0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 127 79.719 -5.024 -0.616 1.00 0.00 H new ATOM 1522 N GLU A 128 82.855 -5.145 -4.550 1.00 0.00 N ATOM 1523 CA GLU A 128 83.357 -5.226 -5.941 1.00 0.00 C ATOM 1524 C GLU A 128 84.247 -6.458 -6.147 1.00 0.00 C ATOM 1525 O GLU A 128 85.441 -6.433 -6.001 1.00 0.00 O ATOM 1526 CB GLU A 128 84.151 -3.937 -6.160 1.00 0.00 C ATOM 1527 CG GLU A 128 83.590 -3.196 -7.375 1.00 0.00 C ATOM 1528 CD GLU A 128 84.719 -2.925 -8.371 1.00 0.00 C ATOM 1529 OE1 GLU A 128 85.451 -1.971 -8.163 1.00 0.00 O ATOM 1530 OE2 GLU A 128 84.832 -3.677 -9.326 1.00 0.00 O ATOM 0 H GLU A 128 83.497 -5.478 -3.830 1.00 0.00 H new ATOM 0 HA GLU A 128 82.538 -5.327 -6.653 1.00 0.00 H new ATOM 0 HB2 GLU A 128 84.090 -3.304 -5.274 1.00 0.00 H new ATOM 0 HB3 GLU A 128 85.205 -4.168 -6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 128 82.808 -3.790 -7.848 1.00 0.00 H new ATOM 0 HG3 GLU A 128 83.132 -2.257 -7.063 1.00 0.00 H new ATOM 1537 N GLY A 129 83.654 -7.530 -6.511 1.00 0.00 N ATOM 1538 CA GLY A 129 84.426 -8.771 -6.787 1.00 0.00 C ATOM 1539 C GLY A 129 84.583 -9.598 -5.527 1.00 0.00 C ATOM 1540 O GLY A 129 85.217 -9.189 -4.575 1.00 0.00 O ATOM 0 H GLY A 129 82.645 -7.616 -6.636 1.00 0.00 H new ATOM 0 HA2 GLY A 129 83.918 -9.358 -7.552 1.00 0.00 H new ATOM 0 HA3 GLY A 129 85.408 -8.513 -7.183 1.00 0.00 H new ATOM 1544 N ARG A 130 84.029 -10.772 -5.517 1.00 0.00 N ATOM 1545 CA ARG A 130 84.179 -11.623 -4.313 1.00 0.00 C ATOM 1546 C ARG A 130 85.073 -12.823 -4.616 1.00 0.00 C ATOM 1547 O ARG A 130 85.364 -13.127 -5.756 1.00 0.00 O ATOM 1548 CB ARG A 130 82.773 -12.082 -3.919 1.00 0.00 C ATOM 1549 CG ARG A 130 81.921 -12.324 -5.168 1.00 0.00 C ATOM 1550 CD ARG A 130 80.877 -13.403 -4.870 1.00 0.00 C ATOM 1551 NE ARG A 130 80.014 -12.814 -3.808 1.00 0.00 N ATOM 1552 CZ ARG A 130 78.919 -13.422 -3.443 1.00 0.00 C ATOM 1553 NH1 ARG A 130 78.985 -14.489 -2.693 1.00 0.00 N ATOM 1554 NH2 ARG A 130 77.759 -12.964 -3.826 1.00 0.00 N ATOM 0 H ARG A 130 83.485 -11.175 -6.280 1.00 0.00 H new ATOM 0 HA ARG A 130 84.648 -11.070 -3.499 1.00 0.00 H new ATOM 0 HB2 ARG A 130 82.834 -12.997 -3.330 1.00 0.00 H new ATOM 0 HB3 ARG A 130 82.301 -11.328 -3.289 1.00 0.00 H new ATOM 0 HG2 ARG A 130 81.429 -11.400 -5.471 1.00 0.00 H new ATOM 0 HG3 ARG A 130 82.554 -12.635 -5.999 1.00 0.00 H new ATOM 0 HD2 ARG A 130 80.297 -13.649 -5.760 1.00 0.00 H new ATOM 0 HD3 ARG A 130 81.348 -14.326 -4.531 1.00 0.00 H new ATOM 0 HE ARG A 130 80.280 -11.934 -3.366 1.00 0.00 H new ATOM 0 HH11 ARG A 130 79.892 -14.846 -2.393 1.00 0.00 H new ATOM 0 HH12 ARG A 130 78.129 -14.965 -2.407 1.00 0.00 H new ATOM 0 HH21 ARG A 130 77.708 -12.130 -4.411 1.00 0.00 H new ATOM 0 HH22 ARG A 130 76.903 -13.440 -3.540 1.00 0.00 H new ATOM 1568 N LYS A 131 85.510 -13.507 -3.598 1.00 0.00 N ATOM 1569 CA LYS A 131 86.388 -14.692 -3.816 1.00 0.00 C ATOM 1570 C LYS A 131 87.711 -14.258 -4.452 1.00 0.00 C ATOM 1571 O LYS A 131 88.689 -14.161 -3.728 1.00 0.00 O ATOM 1572 CB LYS A 131 85.606 -15.597 -4.771 1.00 0.00 C ATOM 1573 CG LYS A 131 84.125 -15.612 -4.378 1.00 0.00 C ATOM 1574 CD LYS A 131 83.996 -15.798 -2.863 1.00 0.00 C ATOM 1575 CE LYS A 131 82.524 -16.004 -2.498 1.00 0.00 C ATOM 1576 NZ LYS A 131 82.406 -17.459 -2.199 1.00 0.00 N ATOM 1577 OXT LYS A 131 87.724 -14.031 -5.649 1.00 0.00 O ATOM 0 H LYS A 131 85.298 -13.298 -2.622 1.00 0.00 H new ATOM 0 HA LYS A 131 86.634 -15.200 -2.884 1.00 0.00 H new ATOM 0 HB2 LYS A 131 85.716 -15.241 -5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 131 86.010 -16.609 -4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 131 83.649 -14.680 -4.682 1.00 0.00 H new ATOM 0 HG3 LYS A 131 83.609 -16.418 -4.899 1.00 0.00 H new ATOM 0 HD2 LYS A 131 84.585 -16.656 -2.540 1.00 0.00 H new ATOM 0 HD3 LYS A 131 84.392 -14.925 -2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 131 82.242 -15.399 -1.636 1.00 0.00 H new ATOM 0 HE3 LYS A 131 81.869 -15.715 -3.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 81.403 -17.711 -2.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 82.817 -18.008 -2.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 82.915 -17.675 -1.318 1.00 0.00 H new TER 1591 LYS A 131