USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 993 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 94 CYS SG : rot -25:sc= 0.237 USER MOD Set 1.2: A 95 THR OG1 : rot 95:sc= 0.394 USER MOD Set 2.1: A 24 TYR OH : rot 180:sc= -0.176 USER MOD Set 2.2: A 28 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0686) USER MOD Set 2.3: A 64 MET CE :methyl 163:sc= -0.023 (180deg=-0.348) USER MOD Set 3.1: A 21 ASN : amide:sc= -0.351 K(o=-0.85,f=-3.3) USER MOD Set 3.2: A 71 MET CE :methyl -135:sc= -0.467 (180deg=-2.63!) USER MOD Set 3.3: A 72 MET CE :methyl -148:sc= -0.0339 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 33:sc= 0.12 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 147:sc= -0.706 (180deg=-1.91!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -151:sc= -0.43 (180deg=-1.62!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl 156:sc= -0.895 (180deg=-2.83!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.41 K(o=-0.41,f=-2.4!) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0307 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 132:sc= 0.73 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 173:sc= -2.18 (180deg=-2.5) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.0114 K(o=-0.011,f=-0.69) USER MOD Single : A 74 ASN : amide:sc= -0.299 K(o=-0.3,f=-2.6!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0453 USER MOD Single : A 77 GLN : amide:sc= -0.541 K(o=-0.54,f=-1.8) USER MOD Single : A 81 SER OG : rot -129:sc= 0.531 USER MOD Single : A 82 MET CE :methyl -153:sc= -1.51 (180deg=-2.79) USER MOD Single : A 88 MET CE :methyl -176:sc= -2.07 (180deg=-2.2) USER MOD Single : A 89 MET CE :methyl -164:sc= 0 (180deg=-0.381) USER MOD Single : A 91 ASN : amide:sc= -2.36 K(o=-2.4,f=-7.6!) USER MOD Single : A 92 ASN : amide:sc= -1.37 K(o=-1.4,f=-2.1!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -4.81! C(o=-5.3!,f=-4.8!) USER MOD Single : A 101 SER OG : rot 170:sc= -0.181 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.016) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 7:sc= -0.176 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.579 25.200 -10.309 1.00 0.00 N ATOM 2 CA GLY A 1 -3.442 24.049 -10.497 1.00 0.00 C ATOM 3 C GLY A 1 -4.806 24.237 -9.862 1.00 0.00 C ATOM 4 O GLY A 1 -5.082 23.688 -8.796 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.659 25.022 -10.761 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.020 26.038 -10.739 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.438 25.366 -9.292 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.564 23.861 -11.564 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.964 23.167 -10.070 1.00 0.00 H new ATOM 8 N SER A 2 -5.660 25.017 -10.518 1.00 0.00 N ATOM 9 CA SER A 2 -7.000 25.280 -10.007 1.00 0.00 C ATOM 10 C SER A 2 -7.984 24.219 -10.492 1.00 0.00 C ATOM 11 O SER A 2 -8.036 23.901 -11.680 1.00 0.00 O ATOM 12 CB SER A 2 -7.472 26.668 -10.446 1.00 0.00 C ATOM 13 OG SER A 2 -7.476 26.782 -11.858 1.00 0.00 O ATOM 0 H SER A 2 -5.448 25.477 -11.403 1.00 0.00 H new ATOM 0 HA SER A 2 -6.961 25.244 -8.918 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.474 26.854 -10.060 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.820 27.429 -10.018 1.00 0.00 H new ATOM 0 HG SER A 2 -7.700 25.915 -12.256 1.00 0.00 H new ATOM 19 N SER A 3 -8.763 23.675 -9.562 1.00 0.00 N ATOM 20 CA SER A 3 -9.743 22.647 -9.892 1.00 0.00 C ATOM 21 C SER A 3 -11.068 23.275 -10.313 1.00 0.00 C ATOM 22 O SER A 3 -11.573 23.013 -11.404 1.00 0.00 O ATOM 23 CB SER A 3 -9.963 21.719 -8.695 1.00 0.00 C ATOM 24 OG SER A 3 -10.549 20.494 -9.100 1.00 0.00 O ATOM 0 H SER A 3 -8.734 23.929 -8.575 1.00 0.00 H new ATOM 0 HA SER A 3 -9.355 22.065 -10.728 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.011 21.525 -8.202 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.606 22.209 -7.964 1.00 0.00 H new ATOM 0 HG SER A 3 -10.678 19.918 -8.317 1.00 0.00 H new ATOM 30 N GLY A 4 -11.627 24.105 -9.438 1.00 0.00 N ATOM 31 CA GLY A 4 -12.888 24.758 -9.736 1.00 0.00 C ATOM 32 C GLY A 4 -13.072 26.046 -8.959 1.00 0.00 C ATOM 33 O GLY A 4 -12.140 26.840 -8.830 1.00 0.00 O ATOM 0 H GLY A 4 -11.229 24.337 -8.528 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.940 24.971 -10.804 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.709 24.078 -9.506 1.00 0.00 H new ATOM 37 N SER A 5 -14.278 26.256 -8.440 1.00 0.00 N ATOM 38 CA SER A 5 -14.583 27.460 -7.676 1.00 0.00 C ATOM 39 C SER A 5 -13.776 27.500 -6.381 1.00 0.00 C ATOM 40 O SER A 5 -13.892 26.613 -5.537 1.00 0.00 O ATOM 41 CB SER A 5 -16.079 27.524 -7.360 1.00 0.00 C ATOM 42 OG SER A 5 -16.441 28.802 -6.867 1.00 0.00 O ATOM 0 H SER A 5 -15.060 25.608 -8.535 1.00 0.00 H new ATOM 0 HA SER A 5 -14.310 28.324 -8.282 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.654 27.301 -8.259 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.331 26.761 -6.623 1.00 0.00 H new ATOM 0 HG SER A 5 -17.402 28.818 -6.674 1.00 0.00 H new ATOM 48 N SER A 6 -12.959 28.538 -6.233 1.00 0.00 N ATOM 49 CA SER A 6 -12.130 28.694 -5.044 1.00 0.00 C ATOM 50 C SER A 6 -12.170 30.133 -4.539 1.00 0.00 C ATOM 51 O SER A 6 -12.256 31.077 -5.324 1.00 0.00 O ATOM 52 CB SER A 6 -10.686 28.288 -5.347 1.00 0.00 C ATOM 53 OG SER A 6 -10.521 26.884 -5.254 1.00 0.00 O ATOM 0 H SER A 6 -12.854 29.283 -6.922 1.00 0.00 H new ATOM 0 HA SER A 6 -12.528 28.043 -4.266 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.413 28.624 -6.347 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.011 28.784 -4.649 1.00 0.00 H new ATOM 0 HG SER A 6 -9.591 26.650 -5.454 1.00 0.00 H new ATOM 59 N GLY A 7 -12.107 30.293 -3.220 1.00 0.00 N ATOM 60 CA GLY A 7 -12.138 31.619 -2.631 1.00 0.00 C ATOM 61 C GLY A 7 -10.958 31.873 -1.714 1.00 0.00 C ATOM 62 O GLY A 7 -9.820 31.979 -2.169 1.00 0.00 O ATOM 0 H GLY A 7 -12.035 29.528 -2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.145 32.366 -3.425 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.064 31.742 -2.069 1.00 0.00 H new ATOM 66 N LYS A 8 -11.230 31.973 -0.417 1.00 0.00 N ATOM 67 CA LYS A 8 -10.183 32.217 0.568 1.00 0.00 C ATOM 68 C LYS A 8 -9.236 31.026 0.662 1.00 0.00 C ATOM 69 O LYS A 8 -9.446 30.113 1.461 1.00 0.00 O ATOM 70 CB LYS A 8 -10.801 32.501 1.939 1.00 0.00 C ATOM 71 CG LYS A 8 -11.183 33.956 2.145 1.00 0.00 C ATOM 72 CD LYS A 8 -11.926 34.158 3.455 1.00 0.00 C ATOM 73 CE LYS A 8 -12.846 35.368 3.394 1.00 0.00 C ATOM 74 NZ LYS A 8 -12.107 36.639 3.631 1.00 0.00 N ATOM 0 H LYS A 8 -12.167 31.889 -0.024 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.612 33.088 0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -11.688 31.880 2.064 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -10.094 32.206 2.715 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.285 34.574 2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -11.807 34.290 1.316 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.510 33.267 3.684 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.208 34.286 4.265 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.331 35.406 2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.635 35.262 4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.769 37.440 3.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.665 36.613 4.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.371 36.753 2.905 1.00 0.00 H new ATOM 88 N LYS A 9 -8.191 31.040 -0.158 1.00 0.00 N ATOM 89 CA LYS A 9 -7.209 29.963 -0.167 1.00 0.00 C ATOM 90 C LYS A 9 -5.823 30.487 0.195 1.00 0.00 C ATOM 91 O LYS A 9 -4.998 30.745 -0.681 1.00 0.00 O ATOM 92 CB LYS A 9 -7.169 29.292 -1.541 1.00 0.00 C ATOM 93 CG LYS A 9 -8.293 28.294 -1.764 1.00 0.00 C ATOM 94 CD LYS A 9 -7.966 26.941 -1.156 1.00 0.00 C ATOM 95 CE LYS A 9 -7.182 26.069 -2.125 1.00 0.00 C ATOM 96 NZ LYS A 9 -5.740 26.440 -2.164 1.00 0.00 N ATOM 0 H LYS A 9 -8.002 31.787 -0.826 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.507 29.228 0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.218 30.060 -2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.213 28.782 -1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.214 28.678 -1.325 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.473 28.180 -2.833 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.388 27.082 -0.242 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.889 26.435 -0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.280 25.023 -1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.608 26.163 -3.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.167 25.589 -2.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.579 27.126 -2.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.466 26.864 -1.255 1.00 0.00 H new ATOM 110 N SER A 10 -5.573 30.641 1.492 1.00 0.00 N ATOM 111 CA SER A 10 -4.287 31.137 1.969 1.00 0.00 C ATOM 112 C SER A 10 -3.466 30.009 2.588 1.00 0.00 C ATOM 113 O SER A 10 -2.461 29.575 2.025 1.00 0.00 O ATOM 114 CB SER A 10 -4.496 32.253 2.994 1.00 0.00 C ATOM 115 OG SER A 10 -3.261 32.678 3.544 1.00 0.00 O ATOM 0 H SER A 10 -6.244 30.429 2.231 1.00 0.00 H new ATOM 0 HA SER A 10 -3.739 31.536 1.115 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.996 33.097 2.520 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.151 31.901 3.791 1.00 0.00 H new ATOM 0 HG SER A 10 -3.421 33.393 4.195 1.00 0.00 H new ATOM 121 N LYS A 11 -3.902 29.539 3.752 1.00 0.00 N ATOM 122 CA LYS A 11 -3.210 28.462 4.449 1.00 0.00 C ATOM 123 C LYS A 11 -4.194 27.611 5.247 1.00 0.00 C ATOM 124 O LYS A 11 -4.886 28.111 6.133 1.00 0.00 O ATOM 125 CB LYS A 11 -2.141 29.034 5.383 1.00 0.00 C ATOM 126 CG LYS A 11 -0.815 29.305 4.694 1.00 0.00 C ATOM 127 CD LYS A 11 0.073 28.072 4.690 1.00 0.00 C ATOM 128 CE LYS A 11 0.849 27.940 5.992 1.00 0.00 C ATOM 129 NZ LYS A 11 1.421 26.575 6.160 1.00 0.00 N ATOM 0 H LYS A 11 -4.732 29.887 4.232 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.730 27.829 3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.511 29.962 5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.978 28.337 6.205 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.996 29.628 3.669 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.302 30.123 5.200 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.538 27.182 4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.770 28.127 3.854 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.653 28.676 6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.191 28.164 6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.942 26.525 7.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.652 25.875 6.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.069 26.371 5.372 1.00 0.00 H new ATOM 143 N TYR A 12 -4.249 26.323 4.927 1.00 0.00 N ATOM 144 CA TYR A 12 -5.148 25.402 5.613 1.00 0.00 C ATOM 145 C TYR A 12 -4.885 23.962 5.184 1.00 0.00 C ATOM 146 O TYR A 12 -4.379 23.711 4.091 1.00 0.00 O ATOM 147 CB TYR A 12 -6.604 25.773 5.330 1.00 0.00 C ATOM 148 CG TYR A 12 -7.166 25.115 4.090 1.00 0.00 C ATOM 149 CD1 TYR A 12 -6.529 25.244 2.862 1.00 0.00 C ATOM 150 CD2 TYR A 12 -8.334 24.365 4.146 1.00 0.00 C ATOM 151 CE1 TYR A 12 -7.039 24.645 1.726 1.00 0.00 C ATOM 152 CE2 TYR A 12 -8.851 23.762 3.015 1.00 0.00 C ATOM 153 CZ TYR A 12 -8.199 23.905 1.808 1.00 0.00 C ATOM 154 OH TYR A 12 -8.711 23.307 0.679 1.00 0.00 O ATOM 0 H TYR A 12 -3.682 25.893 4.197 1.00 0.00 H new ATOM 0 HA TYR A 12 -4.961 25.482 6.684 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.215 25.493 6.188 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -6.680 26.855 5.223 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -5.620 25.822 2.794 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.847 24.251 5.090 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.532 24.756 0.779 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.760 23.182 3.076 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.531 22.822 0.909 1.00 0.00 H new ATOM 164 N MET A 13 -5.232 23.020 6.055 1.00 0.00 N ATOM 165 CA MET A 13 -5.036 21.604 5.766 1.00 0.00 C ATOM 166 C MET A 13 -5.669 21.229 4.429 1.00 0.00 C ATOM 167 O MET A 13 -6.393 22.023 3.828 1.00 0.00 O ATOM 168 CB MET A 13 -5.632 20.746 6.884 1.00 0.00 C ATOM 169 CG MET A 13 -4.787 20.721 8.147 1.00 0.00 C ATOM 170 SD MET A 13 -5.771 20.468 9.636 1.00 0.00 S ATOM 171 CE MET A 13 -6.880 21.872 9.552 1.00 0.00 C ATOM 0 H MET A 13 -5.650 23.211 6.966 1.00 0.00 H new ATOM 0 HA MET A 13 -3.964 21.416 5.706 1.00 0.00 H new ATOM 0 HB2 MET A 13 -6.625 21.122 7.129 1.00 0.00 H new ATOM 0 HB3 MET A 13 -5.758 19.726 6.520 1.00 0.00 H new ATOM 0 HG2 MET A 13 -4.045 19.927 8.067 1.00 0.00 H new ATOM 0 HG3 MET A 13 -4.241 21.660 8.233 1.00 0.00 H new ATOM 0 HE1 MET A 13 -7.172 22.166 10.560 1.00 0.00 H new ATOM 0 HE2 MET A 13 -6.375 22.706 9.063 1.00 0.00 H new ATOM 0 HE3 MET A 13 -7.768 21.601 8.981 1.00 0.00 H new ATOM 181 N THR A 14 -5.390 20.013 3.968 1.00 0.00 N ATOM 182 CA THR A 14 -5.931 19.534 2.703 1.00 0.00 C ATOM 183 C THR A 14 -6.803 18.301 2.909 1.00 0.00 C ATOM 184 O THR A 14 -6.558 17.477 3.791 1.00 0.00 O ATOM 185 CB THR A 14 -4.807 19.192 1.706 1.00 0.00 C ATOM 186 OG1 THR A 14 -3.744 18.511 2.380 1.00 0.00 O ATOM 187 CG2 THR A 14 -4.270 20.452 1.044 1.00 0.00 C ATOM 0 H THR A 14 -4.793 19.343 4.452 1.00 0.00 H new ATOM 0 HA THR A 14 -6.539 20.341 2.293 1.00 0.00 H new ATOM 0 HB THR A 14 -5.221 18.543 0.934 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.035 18.296 1.739 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.478 20.186 0.344 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.076 20.952 0.507 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.871 21.122 1.806 1.00 0.00 H new ATOM 195 N PRO A 15 -7.847 18.168 2.077 1.00 0.00 N ATOM 196 CA PRO A 15 -8.777 17.037 2.149 1.00 0.00 C ATOM 197 C PRO A 15 -8.132 15.728 1.706 1.00 0.00 C ATOM 198 O PRO A 15 -8.447 14.661 2.233 1.00 0.00 O ATOM 199 CB PRO A 15 -9.895 17.436 1.182 1.00 0.00 C ATOM 200 CG PRO A 15 -9.249 18.371 0.220 1.00 0.00 C ATOM 201 CD PRO A 15 -8.200 19.111 1.003 1.00 0.00 C ATOM 0 HA PRO A 15 -9.120 16.855 3.167 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.306 16.565 0.672 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.720 17.917 1.708 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.803 17.827 -0.613 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -9.979 19.061 -0.204 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.337 19.357 0.385 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.584 20.049 1.403 1.00 0.00 H new ATOM 209 N MET A 16 -7.229 15.817 0.736 1.00 0.00 N ATOM 210 CA MET A 16 -6.539 14.638 0.224 1.00 0.00 C ATOM 211 C MET A 16 -5.785 13.922 1.340 1.00 0.00 C ATOM 212 O MET A 16 -5.536 12.720 1.260 1.00 0.00 O ATOM 213 CB MET A 16 -5.568 15.033 -0.891 1.00 0.00 C ATOM 214 CG MET A 16 -4.236 15.559 -0.379 1.00 0.00 C ATOM 215 SD MET A 16 -3.116 14.239 0.124 1.00 0.00 S ATOM 216 CE MET A 16 -3.168 13.182 -1.321 1.00 0.00 C ATOM 0 H MET A 16 -6.958 16.692 0.288 1.00 0.00 H new ATOM 0 HA MET A 16 -7.288 13.957 -0.180 1.00 0.00 H new ATOM 0 HB2 MET A 16 -5.387 14.167 -1.528 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.035 15.795 -1.515 1.00 0.00 H new ATOM 0 HG2 MET A 16 -3.762 16.156 -1.158 1.00 0.00 H new ATOM 0 HG3 MET A 16 -4.413 16.223 0.467 1.00 0.00 H new ATOM 0 HE1 MET A 16 -2.258 12.584 -1.367 1.00 0.00 H new ATOM 0 HE2 MET A 16 -4.033 12.522 -1.258 1.00 0.00 H new ATOM 0 HE3 MET A 16 -3.244 13.796 -2.218 1.00 0.00 H new ATOM 226 N GLN A 17 -5.425 14.669 2.379 1.00 0.00 N ATOM 227 CA GLN A 17 -4.699 14.104 3.511 1.00 0.00 C ATOM 228 C GLN A 17 -5.515 13.008 4.189 1.00 0.00 C ATOM 229 O GLN A 17 -5.041 11.886 4.360 1.00 0.00 O ATOM 230 CB GLN A 17 -4.355 15.200 4.521 1.00 0.00 C ATOM 231 CG GLN A 17 -3.528 14.705 5.697 1.00 0.00 C ATOM 232 CD GLN A 17 -3.416 15.733 6.806 1.00 0.00 C ATOM 233 OE1 GLN A 17 -2.801 16.785 6.633 1.00 0.00 O ATOM 234 NE2 GLN A 17 -4.013 15.433 7.953 1.00 0.00 N ATOM 0 H GLN A 17 -5.624 15.666 2.460 1.00 0.00 H new ATOM 0 HA GLN A 17 -3.776 13.663 3.135 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.808 15.994 4.012 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.279 15.640 4.897 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.977 13.795 6.095 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.529 14.442 5.349 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.512 14.549 8.052 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.973 16.087 8.735 1.00 0.00 H new ATOM 243 N GLN A 18 -6.743 13.343 4.572 1.00 0.00 N ATOM 244 CA GLN A 18 -7.624 12.386 5.232 1.00 0.00 C ATOM 245 C GLN A 18 -8.031 11.271 4.276 1.00 0.00 C ATOM 246 O GLN A 18 -8.234 10.128 4.687 1.00 0.00 O ATOM 247 CB GLN A 18 -8.869 13.094 5.769 1.00 0.00 C ATOM 248 CG GLN A 18 -8.568 14.122 6.847 1.00 0.00 C ATOM 249 CD GLN A 18 -8.575 13.526 8.241 1.00 0.00 C ATOM 250 OE1 GLN A 18 -8.088 12.415 8.456 1.00 0.00 O ATOM 251 NE2 GLN A 18 -9.129 14.262 9.197 1.00 0.00 N ATOM 0 H GLN A 18 -7.150 14.268 4.437 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.079 11.943 6.065 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.381 13.586 4.942 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.555 12.349 6.171 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.594 14.571 6.653 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.305 14.924 6.795 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.520 15.177 8.974 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.163 13.912 10.155 1.00 0.00 H new ATOM 260 N LYS A 19 -8.149 11.609 2.996 1.00 0.00 N ATOM 261 CA LYS A 19 -8.531 10.636 1.979 1.00 0.00 C ATOM 262 C LYS A 19 -7.499 9.517 1.881 1.00 0.00 C ATOM 263 O LYS A 19 -7.811 8.407 1.450 1.00 0.00 O ATOM 264 CB LYS A 19 -8.685 11.323 0.620 1.00 0.00 C ATOM 265 CG LYS A 19 -9.698 10.650 -0.290 1.00 0.00 C ATOM 266 CD LYS A 19 -9.049 9.582 -1.154 1.00 0.00 C ATOM 267 CE LYS A 19 -9.973 9.136 -2.276 1.00 0.00 C ATOM 268 NZ LYS A 19 -9.865 10.022 -3.468 1.00 0.00 N ATOM 0 H LYS A 19 -7.985 12.550 2.638 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.487 10.200 2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.983 12.359 0.778 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.717 11.342 0.120 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.488 10.201 0.312 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.169 11.398 -0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.122 9.968 -1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.784 8.724 -0.536 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.730 8.112 -2.561 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.003 9.132 -1.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.510 9.685 -4.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.121 10.994 -3.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.888 10.006 -3.825 1.00 0.00 H new ATOM 282 N LEU A 20 -6.269 9.816 2.286 1.00 0.00 N ATOM 283 CA LEU A 20 -5.191 8.834 2.245 1.00 0.00 C ATOM 284 C LEU A 20 -5.346 7.808 3.363 1.00 0.00 C ATOM 285 O LEU A 20 -5.458 6.610 3.108 1.00 0.00 O ATOM 286 CB LEU A 20 -3.835 9.532 2.363 1.00 0.00 C ATOM 287 CG LEU A 20 -3.189 9.970 1.048 1.00 0.00 C ATOM 288 CD1 LEU A 20 -2.106 11.007 1.304 1.00 0.00 C ATOM 289 CD2 LEU A 20 -2.616 8.769 0.310 1.00 0.00 C ATOM 0 H LEU A 20 -5.994 10.730 2.646 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.243 8.313 1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.955 10.411 2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.147 8.861 2.877 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.957 10.424 0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.658 11.307 0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.544 11.879 1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.339 10.580 1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.160 9.099 -0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.862 8.286 0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.415 8.060 0.093 1.00 0.00 H new ATOM 301 N ASN A 21 -5.355 8.288 4.603 1.00 0.00 N ATOM 302 CA ASN A 21 -5.499 7.412 5.760 1.00 0.00 C ATOM 303 C ASN A 21 -6.772 6.579 5.657 1.00 0.00 C ATOM 304 O ASN A 21 -6.843 5.469 6.184 1.00 0.00 O ATOM 305 CB ASN A 21 -5.518 8.236 7.050 1.00 0.00 C ATOM 306 CG ASN A 21 -5.007 7.453 8.243 1.00 0.00 C ATOM 307 OD1 ASN A 21 -4.815 6.239 8.167 1.00 0.00 O ATOM 308 ND2 ASN A 21 -4.786 8.145 9.355 1.00 0.00 N ATOM 0 H ASN A 21 -5.264 9.278 4.832 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.645 6.736 5.781 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.908 9.129 6.916 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.536 8.572 7.248 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.443 7.671 10.191 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.959 9.150 9.373 1.00 0.00 H new ATOM 315 N GLU A 22 -7.775 7.122 4.973 1.00 0.00 N ATOM 316 CA GLU A 22 -9.045 6.428 4.801 1.00 0.00 C ATOM 317 C GLU A 22 -8.883 5.213 3.891 1.00 0.00 C ATOM 318 O GLU A 22 -9.395 4.132 4.183 1.00 0.00 O ATOM 319 CB GLU A 22 -10.096 7.377 4.221 1.00 0.00 C ATOM 320 CG GLU A 22 -10.746 8.274 5.260 1.00 0.00 C ATOM 321 CD GLU A 22 -12.163 8.665 4.890 1.00 0.00 C ATOM 322 OE1 GLU A 22 -12.354 9.233 3.794 1.00 0.00 O ATOM 323 OE2 GLU A 22 -13.081 8.403 5.695 1.00 0.00 O ATOM 0 H GLU A 22 -7.732 8.040 4.530 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.377 6.085 5.781 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.629 7.999 3.457 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.869 6.790 3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.754 7.762 6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.145 9.175 5.383 1.00 0.00 H new ATOM 330 N VAL A 23 -8.168 5.400 2.787 1.00 0.00 N ATOM 331 CA VAL A 23 -7.937 4.321 1.834 1.00 0.00 C ATOM 332 C VAL A 23 -7.140 3.187 2.470 1.00 0.00 C ATOM 333 O VAL A 23 -7.531 2.022 2.394 1.00 0.00 O ATOM 334 CB VAL A 23 -7.186 4.825 0.587 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.641 3.654 -0.218 1.00 0.00 C ATOM 336 CG2 VAL A 23 -8.097 5.692 -0.269 1.00 0.00 C ATOM 0 H VAL A 23 -7.738 6.289 2.530 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.916 3.949 1.534 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.343 5.434 0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.114 4.029 -1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.953 3.077 0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.466 3.016 -0.536 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.550 6.039 -1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.961 5.108 -0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.434 6.550 0.312 1.00 0.00 H new ATOM 346 N TYR A 24 -6.023 3.536 3.097 1.00 0.00 N ATOM 347 CA TYR A 24 -5.169 2.548 3.745 1.00 0.00 C ATOM 348 C TYR A 24 -5.970 1.696 4.725 1.00 0.00 C ATOM 349 O TYR A 24 -6.001 0.471 4.617 1.00 0.00 O ATOM 350 CB TYR A 24 -4.016 3.238 4.475 1.00 0.00 C ATOM 351 CG TYR A 24 -3.173 2.296 5.304 1.00 0.00 C ATOM 352 CD1 TYR A 24 -2.103 1.612 4.740 1.00 0.00 C ATOM 353 CD2 TYR A 24 -3.447 2.088 6.650 1.00 0.00 C ATOM 354 CE1 TYR A 24 -1.330 0.750 5.493 1.00 0.00 C ATOM 355 CE2 TYR A 24 -2.679 1.229 7.411 1.00 0.00 C ATOM 356 CZ TYR A 24 -1.622 0.562 6.828 1.00 0.00 C ATOM 357 OH TYR A 24 -0.855 -0.296 7.583 1.00 0.00 O ATOM 0 H TYR A 24 -5.687 4.496 3.170 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.761 1.896 2.973 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.378 3.734 3.743 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.421 4.015 5.123 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.872 1.757 3.695 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.275 2.607 7.109 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -0.502 0.226 5.039 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.905 1.080 8.457 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.193 -0.314 8.503 1.00 0.00 H new ATOM 367 N GLU A 25 -6.615 2.356 5.682 1.00 0.00 N ATOM 368 CA GLU A 25 -7.416 1.661 6.682 1.00 0.00 C ATOM 369 C GLU A 25 -8.422 0.725 6.019 1.00 0.00 C ATOM 370 O GLU A 25 -8.480 -0.464 6.331 1.00 0.00 O ATOM 371 CB GLU A 25 -8.148 2.667 7.572 1.00 0.00 C ATOM 372 CG GLU A 25 -7.230 3.433 8.509 1.00 0.00 C ATOM 373 CD GLU A 25 -7.923 4.602 9.180 1.00 0.00 C ATOM 374 OE1 GLU A 25 -8.559 5.404 8.464 1.00 0.00 O ATOM 375 OE2 GLU A 25 -7.831 4.716 10.420 1.00 0.00 O ATOM 0 H GLU A 25 -6.598 3.371 5.785 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.743 1.065 7.298 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.682 3.377 6.940 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.897 2.139 8.162 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.849 2.755 9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.369 3.799 7.949 1.00 0.00 H new ATOM 382 N ALA A 26 -9.215 1.271 5.103 1.00 0.00 N ATOM 383 CA ALA A 26 -10.218 0.486 4.394 1.00 0.00 C ATOM 384 C ALA A 26 -9.708 -0.921 4.102 1.00 0.00 C ATOM 385 O ALA A 26 -10.285 -1.908 4.558 1.00 0.00 O ATOM 386 CB ALA A 26 -10.618 1.184 3.103 1.00 0.00 C ATOM 0 H ALA A 26 -9.182 2.254 4.834 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.096 0.400 5.034 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.368 0.587 2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.032 2.166 3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.741 1.300 2.466 1.00 0.00 H new ATOM 392 N VAL A 27 -8.624 -1.006 3.338 1.00 0.00 N ATOM 393 CA VAL A 27 -8.036 -2.292 2.985 1.00 0.00 C ATOM 394 C VAL A 27 -7.707 -3.107 4.231 1.00 0.00 C ATOM 395 O VAL A 27 -7.842 -4.330 4.240 1.00 0.00 O ATOM 396 CB VAL A 27 -6.755 -2.114 2.148 1.00 0.00 C ATOM 397 CG1 VAL A 27 -6.199 -3.465 1.728 1.00 0.00 C ATOM 398 CG2 VAL A 27 -7.030 -1.240 0.934 1.00 0.00 C ATOM 0 H VAL A 27 -8.135 -0.199 2.951 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.778 -2.826 2.391 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.006 -1.616 2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.294 -3.319 1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.962 -4.053 2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.941 -3.994 1.130 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.114 -1.125 0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.795 -1.708 0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.377 -0.260 1.262 1.00 0.00 H new ATOM 408 N LYS A 28 -7.275 -2.419 5.283 1.00 0.00 N ATOM 409 CA LYS A 28 -6.927 -3.077 6.537 1.00 0.00 C ATOM 410 C LYS A 28 -8.156 -3.719 7.173 1.00 0.00 C ATOM 411 O LYS A 28 -8.124 -4.884 7.569 1.00 0.00 O ATOM 412 CB LYS A 28 -6.304 -2.072 7.508 1.00 0.00 C ATOM 413 CG LYS A 28 -5.580 -2.722 8.674 1.00 0.00 C ATOM 414 CD LYS A 28 -4.614 -1.756 9.339 1.00 0.00 C ATOM 415 CE LYS A 28 -3.742 -2.459 10.368 1.00 0.00 C ATOM 416 NZ LYS A 28 -2.671 -1.567 10.891 1.00 0.00 N ATOM 0 H LYS A 28 -7.158 -1.406 5.292 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.201 -3.860 6.319 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.603 -1.439 6.963 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.087 -1.420 7.895 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.308 -3.072 9.406 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.035 -3.598 8.322 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.982 -1.292 8.581 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.174 -0.955 9.821 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.363 -2.804 11.195 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.290 -3.343 9.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.028 -2.115 11.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.136 -1.164 10.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.099 -0.798 11.445 1.00 0.00 H new ATOM 430 N ASN A 29 -9.238 -2.953 7.266 1.00 0.00 N ATOM 431 CA ASN A 29 -10.477 -3.449 7.853 1.00 0.00 C ATOM 432 C ASN A 29 -11.291 -4.231 6.826 1.00 0.00 C ATOM 433 O ASN A 29 -12.436 -4.605 7.081 1.00 0.00 O ATOM 434 CB ASN A 29 -11.308 -2.286 8.399 1.00 0.00 C ATOM 435 CG ASN A 29 -10.475 -1.310 9.208 1.00 0.00 C ATOM 436 OD1 ASN A 29 -9.330 -1.596 9.558 1.00 0.00 O ATOM 437 ND2 ASN A 29 -11.048 -0.150 9.508 1.00 0.00 N ATOM 0 H ASN A 29 -9.282 -1.987 6.942 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.218 -4.119 8.673 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.778 -1.758 7.569 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -12.111 -2.678 9.023 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -10.536 0.547 10.050 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -12.000 0.044 9.197 1.00 0.00 H new ATOM 444 N TYR A 30 -10.691 -4.475 5.667 1.00 0.00 N ATOM 445 CA TYR A 30 -11.360 -5.211 4.600 1.00 0.00 C ATOM 446 C TYR A 30 -11.353 -6.710 4.886 1.00 0.00 C ATOM 447 O TYR A 30 -10.318 -7.286 5.222 1.00 0.00 O ATOM 448 CB TYR A 30 -10.682 -4.934 3.257 1.00 0.00 C ATOM 449 CG TYR A 30 -11.516 -5.339 2.063 1.00 0.00 C ATOM 450 CD1 TYR A 30 -12.405 -4.447 1.476 1.00 0.00 C ATOM 451 CD2 TYR A 30 -11.415 -6.615 1.522 1.00 0.00 C ATOM 452 CE1 TYR A 30 -13.169 -4.814 0.385 1.00 0.00 C ATOM 453 CE2 TYR A 30 -12.174 -6.990 0.430 1.00 0.00 C ATOM 454 CZ TYR A 30 -13.050 -6.086 -0.134 1.00 0.00 C ATOM 455 OH TYR A 30 -13.809 -6.455 -1.222 1.00 0.00 O ATOM 0 H TYR A 30 -9.743 -4.174 5.442 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.395 -4.872 4.553 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.455 -3.870 3.187 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.731 -5.466 3.223 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -12.500 -3.450 1.879 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.732 -7.326 1.963 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -13.856 -4.109 -0.059 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -12.082 -7.985 0.020 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.605 -7.383 -1.464 1.00 0.00 H new ATOM 465 N THR A 31 -12.517 -7.337 4.749 1.00 0.00 N ATOM 466 CA THR A 31 -12.648 -8.769 4.992 1.00 0.00 C ATOM 467 C THR A 31 -13.315 -9.468 3.813 1.00 0.00 C ATOM 468 O THR A 31 -13.727 -8.823 2.849 1.00 0.00 O ATOM 469 CB THR A 31 -13.461 -9.050 6.269 1.00 0.00 C ATOM 470 OG1 THR A 31 -14.527 -8.101 6.390 1.00 0.00 O ATOM 471 CG2 THR A 31 -12.573 -8.982 7.502 1.00 0.00 C ATOM 0 H THR A 31 -13.383 -6.876 4.471 1.00 0.00 H new ATOM 0 HA THR A 31 -11.639 -9.162 5.120 1.00 0.00 H new ATOM 0 HB THR A 31 -13.876 -10.055 6.195 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.040 -8.288 7.204 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.170 -9.184 8.392 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.780 -9.725 7.421 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.132 -7.988 7.579 1.00 0.00 H new ATOM 479 N ASP A 32 -13.421 -10.789 3.898 1.00 0.00 N ATOM 480 CA ASP A 32 -14.041 -11.576 2.838 1.00 0.00 C ATOM 481 C ASP A 32 -15.561 -11.482 2.911 1.00 0.00 C ATOM 482 O ASP A 32 -16.111 -10.762 3.744 1.00 0.00 O ATOM 483 CB ASP A 32 -13.603 -13.039 2.937 1.00 0.00 C ATOM 484 CG ASP A 32 -12.249 -13.282 2.299 1.00 0.00 C ATOM 485 OD1 ASP A 32 -11.228 -12.896 2.906 1.00 0.00 O ATOM 486 OD2 ASP A 32 -12.211 -13.859 1.192 1.00 0.00 O ATOM 0 H ASP A 32 -13.086 -11.338 4.690 1.00 0.00 H new ATOM 0 HA ASP A 32 -13.715 -11.171 1.880 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.566 -13.334 3.986 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -14.348 -13.672 2.454 1.00 0.00 H new ATOM 491 N LYS A 33 -16.237 -12.214 2.031 1.00 0.00 N ATOM 492 CA LYS A 33 -17.694 -12.214 1.994 1.00 0.00 C ATOM 493 C LYS A 33 -18.273 -12.645 3.338 1.00 0.00 C ATOM 494 O LYS A 33 -19.452 -12.424 3.616 1.00 0.00 O ATOM 495 CB LYS A 33 -18.197 -13.145 0.888 1.00 0.00 C ATOM 496 CG LYS A 33 -17.626 -12.825 -0.483 1.00 0.00 C ATOM 497 CD LYS A 33 -18.262 -13.681 -1.565 1.00 0.00 C ATOM 498 CE LYS A 33 -17.825 -13.240 -2.953 1.00 0.00 C ATOM 499 NZ LYS A 33 -16.525 -13.851 -3.346 1.00 0.00 N ATOM 0 H LYS A 33 -15.798 -12.815 1.334 1.00 0.00 H new ATOM 0 HA LYS A 33 -18.027 -11.197 1.784 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -17.944 -14.173 1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -19.284 -13.087 0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -17.789 -11.771 -0.709 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -16.548 -12.987 -0.476 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -17.990 -14.725 -1.411 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -19.348 -13.620 -1.488 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -18.590 -13.515 -3.679 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -17.738 -12.154 -2.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -16.262 -13.525 -4.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -15.789 -13.568 -2.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -16.615 -14.887 -3.347 1.00 0.00 H new ATOM 513 N ARG A 34 -17.436 -13.258 4.168 1.00 0.00 N ATOM 514 CA ARG A 34 -17.865 -13.719 5.483 1.00 0.00 C ATOM 515 C ARG A 34 -17.327 -12.807 6.581 1.00 0.00 C ATOM 516 O ARG A 34 -18.089 -12.123 7.263 1.00 0.00 O ATOM 517 CB ARG A 34 -17.395 -15.155 5.721 1.00 0.00 C ATOM 518 CG ARG A 34 -17.914 -16.146 4.692 1.00 0.00 C ATOM 519 CD ARG A 34 -17.799 -17.578 5.189 1.00 0.00 C ATOM 520 NE ARG A 34 -18.595 -18.502 4.386 1.00 0.00 N ATOM 521 CZ ARG A 34 -18.922 -19.727 4.782 1.00 0.00 C ATOM 522 NH1 ARG A 34 -18.524 -20.173 5.966 1.00 0.00 N ATOM 523 NH2 ARG A 34 -19.650 -20.509 3.995 1.00 0.00 N ATOM 0 H ARG A 34 -16.457 -13.447 3.953 1.00 0.00 H new ATOM 0 HA ARG A 34 -18.954 -13.691 5.513 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -16.305 -15.177 5.716 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.716 -15.473 6.713 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -18.956 -15.922 4.463 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -17.353 -16.036 3.764 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -16.754 -17.886 5.167 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -18.124 -17.628 6.228 1.00 0.00 H new ATOM 0 HE ARG A 34 -18.918 -18.189 3.470 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -17.965 -19.575 6.575 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -18.776 -21.114 6.268 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -19.959 -20.170 3.084 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -19.900 -21.449 4.301 1.00 0.00 H new ATOM 537 N GLY A 35 -16.007 -12.803 6.746 1.00 0.00 N ATOM 538 CA GLY A 35 -15.390 -11.972 7.763 1.00 0.00 C ATOM 539 C GLY A 35 -13.954 -12.369 8.043 1.00 0.00 C ATOM 540 O GLY A 35 -13.556 -12.514 9.199 1.00 0.00 O ATOM 0 H GLY A 35 -15.355 -13.360 6.194 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.420 -10.930 7.444 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -15.969 -12.040 8.684 1.00 0.00 H new ATOM 544 N ARG A 36 -13.174 -12.548 6.982 1.00 0.00 N ATOM 545 CA ARG A 36 -11.774 -12.934 7.118 1.00 0.00 C ATOM 546 C ARG A 36 -10.853 -11.823 6.621 1.00 0.00 C ATOM 547 O ARG A 36 -10.892 -11.450 5.449 1.00 0.00 O ATOM 548 CB ARG A 36 -11.501 -14.224 6.343 1.00 0.00 C ATOM 549 CG ARG A 36 -10.188 -14.892 6.717 1.00 0.00 C ATOM 550 CD ARG A 36 -10.164 -16.351 6.288 1.00 0.00 C ATOM 551 NE ARG A 36 -11.241 -17.121 6.905 1.00 0.00 N ATOM 552 CZ ARG A 36 -11.487 -18.396 6.625 1.00 0.00 C ATOM 553 NH1 ARG A 36 -10.736 -19.041 5.743 1.00 0.00 N ATOM 554 NH2 ARG A 36 -12.485 -19.029 7.228 1.00 0.00 N ATOM 0 H ARG A 36 -13.488 -12.432 6.018 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.571 -13.104 8.175 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.318 -14.924 6.519 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.495 -14.003 5.276 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.361 -14.360 6.247 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.039 -14.826 7.795 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.251 -16.411 5.203 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.204 -16.792 6.556 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.837 -16.654 7.588 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.967 -18.558 5.278 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.927 -20.020 5.530 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.065 -18.537 7.908 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.673 -20.008 7.012 1.00 0.00 H new ATOM 568 N ARG A 37 -10.026 -11.300 7.520 1.00 0.00 N ATOM 569 CA ARG A 37 -9.097 -10.232 7.173 1.00 0.00 C ATOM 570 C ARG A 37 -7.982 -10.753 6.272 1.00 0.00 C ATOM 571 O ARG A 37 -7.218 -11.639 6.659 1.00 0.00 O ATOM 572 CB ARG A 37 -8.498 -9.617 8.440 1.00 0.00 C ATOM 573 CG ARG A 37 -7.818 -8.278 8.204 1.00 0.00 C ATOM 574 CD ARG A 37 -7.865 -7.403 9.446 1.00 0.00 C ATOM 575 NE ARG A 37 -9.225 -6.976 9.764 1.00 0.00 N ATOM 576 CZ ARG A 37 -9.532 -6.216 10.809 1.00 0.00 C ATOM 577 NH1 ARG A 37 -8.579 -5.801 11.634 1.00 0.00 N ATOM 578 NH2 ARG A 37 -10.793 -5.869 11.032 1.00 0.00 N ATOM 0 H ARG A 37 -9.980 -11.599 8.494 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.650 -9.465 6.631 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.288 -9.488 9.180 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.774 -10.313 8.864 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.781 -8.442 7.912 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.304 -7.763 7.376 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.450 -7.952 10.292 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.236 -6.526 9.295 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.981 -7.278 9.149 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.608 -6.066 11.466 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.817 -5.217 12.436 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.529 -6.186 10.400 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.027 -5.285 11.835 1.00 0.00 H new ATOM 592 N LEU A 38 -7.894 -10.199 5.068 1.00 0.00 N ATOM 593 CA LEU A 38 -6.873 -10.608 4.110 1.00 0.00 C ATOM 594 C LEU A 38 -5.584 -9.818 4.317 1.00 0.00 C ATOM 595 O LEU A 38 -4.530 -10.184 3.799 1.00 0.00 O ATOM 596 CB LEU A 38 -7.379 -10.412 2.680 1.00 0.00 C ATOM 597 CG LEU A 38 -8.745 -11.021 2.362 1.00 0.00 C ATOM 598 CD1 LEU A 38 -9.861 -10.070 2.766 1.00 0.00 C ATOM 599 CD2 LEU A 38 -8.845 -11.366 0.883 1.00 0.00 C ATOM 0 H LEU A 38 -8.518 -9.465 4.732 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.661 -11.665 4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.424 -9.342 2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.646 -10.837 1.995 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.853 -11.941 2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.826 -10.521 2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.802 -9.874 3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.756 -9.133 2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.824 -11.798 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.714 -10.462 0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.068 -12.086 0.624 1.00 0.00 H new ATOM 611 N SER A 39 -5.677 -8.734 5.081 1.00 0.00 N ATOM 612 CA SER A 39 -4.519 -7.891 5.356 1.00 0.00 C ATOM 613 C SER A 39 -3.722 -8.433 6.539 1.00 0.00 C ATOM 614 O SER A 39 -2.605 -7.991 6.803 1.00 0.00 O ATOM 615 CB SER A 39 -4.963 -6.455 5.641 1.00 0.00 C ATOM 616 OG SER A 39 -5.407 -5.814 4.458 1.00 0.00 O ATOM 0 H SER A 39 -6.542 -8.419 5.520 1.00 0.00 H new ATOM 0 HA SER A 39 -3.878 -7.897 4.474 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.765 -6.459 6.379 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.135 -5.894 6.073 1.00 0.00 H new ATOM 0 HG SER A 39 -6.266 -5.373 4.627 1.00 0.00 H new ATOM 622 N ALA A 40 -4.306 -9.395 7.247 1.00 0.00 N ATOM 623 CA ALA A 40 -3.650 -9.999 8.400 1.00 0.00 C ATOM 624 C ALA A 40 -2.314 -10.621 8.009 1.00 0.00 C ATOM 625 O ALA A 40 -1.301 -10.407 8.675 1.00 0.00 O ATOM 626 CB ALA A 40 -4.556 -11.045 9.034 1.00 0.00 C ATOM 0 H ALA A 40 -5.231 -9.772 7.042 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.455 -9.213 9.129 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.054 -11.488 9.894 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.484 -10.574 9.359 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.780 -11.823 8.304 1.00 0.00 H new ATOM 632 N ILE A 41 -2.319 -11.390 6.925 1.00 0.00 N ATOM 633 CA ILE A 41 -1.107 -12.042 6.446 1.00 0.00 C ATOM 634 C ILE A 41 -0.151 -11.032 5.820 1.00 0.00 C ATOM 635 O ILE A 41 0.964 -11.377 5.426 1.00 0.00 O ATOM 636 CB ILE A 41 -1.428 -13.137 5.412 1.00 0.00 C ATOM 637 CG1 ILE A 41 -0.190 -13.996 5.146 1.00 0.00 C ATOM 638 CG2 ILE A 41 -1.935 -12.514 4.120 1.00 0.00 C ATOM 639 CD1 ILE A 41 -0.516 -15.418 4.745 1.00 0.00 C ATOM 0 H ILE A 41 -3.149 -11.576 6.362 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.631 -12.501 7.313 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.212 -13.778 5.815 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.402 -13.531 4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.430 -14.013 6.042 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.157 -13.301 3.399 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.840 -11.941 4.323 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.171 -11.853 3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.409 -15.968 4.572 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.082 -15.900 5.542 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.110 -15.411 3.831 1.00 0.00 H new ATOM 651 N PHE A 42 -0.593 -9.782 5.732 1.00 0.00 N ATOM 652 CA PHE A 42 0.223 -8.721 5.154 1.00 0.00 C ATOM 653 C PHE A 42 0.446 -7.597 6.162 1.00 0.00 C ATOM 654 O PHE A 42 0.719 -6.456 5.787 1.00 0.00 O ATOM 655 CB PHE A 42 -0.442 -8.166 3.893 1.00 0.00 C ATOM 656 CG PHE A 42 -0.625 -9.191 2.811 1.00 0.00 C ATOM 657 CD1 PHE A 42 0.388 -10.087 2.509 1.00 0.00 C ATOM 658 CD2 PHE A 42 -1.810 -9.259 2.096 1.00 0.00 C ATOM 659 CE1 PHE A 42 0.222 -11.031 1.513 1.00 0.00 C ATOM 660 CE2 PHE A 42 -1.982 -10.201 1.099 1.00 0.00 C ATOM 661 CZ PHE A 42 -0.964 -11.089 0.808 1.00 0.00 C ATOM 0 H PHE A 42 -1.512 -9.479 6.054 1.00 0.00 H new ATOM 0 HA PHE A 42 1.191 -9.145 4.888 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.415 -7.751 4.157 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.161 -7.344 3.506 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.317 -10.047 3.058 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.609 -8.568 2.320 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.020 -11.723 1.286 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.910 -10.243 0.549 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.096 -11.827 0.031 1.00 0.00 H new ATOM 671 N LEU A 43 0.328 -7.928 7.443 1.00 0.00 N ATOM 672 CA LEU A 43 0.517 -6.947 8.507 1.00 0.00 C ATOM 673 C LEU A 43 1.999 -6.735 8.796 1.00 0.00 C ATOM 674 O LEU A 43 2.571 -5.705 8.438 1.00 0.00 O ATOM 675 CB LEU A 43 -0.203 -7.400 9.778 1.00 0.00 C ATOM 676 CG LEU A 43 -1.680 -7.019 9.885 1.00 0.00 C ATOM 677 CD1 LEU A 43 -2.306 -7.649 11.120 1.00 0.00 C ATOM 678 CD2 LEU A 43 -1.840 -5.506 9.917 1.00 0.00 C ATOM 0 H LEU A 43 0.103 -8.867 7.770 1.00 0.00 H new ATOM 0 HA LEU A 43 0.092 -6.000 8.174 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.122 -8.485 9.850 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.322 -6.983 10.637 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.198 -7.401 9.005 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.357 -7.367 11.179 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.225 -8.734 11.056 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.785 -7.298 12.011 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.898 -5.254 9.993 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.307 -5.102 10.778 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.430 -5.077 9.003 1.00 0.00 H new ATOM 690 N ARG A 44 2.617 -7.718 9.444 1.00 0.00 N ATOM 691 CA ARG A 44 4.033 -7.639 9.781 1.00 0.00 C ATOM 692 C ARG A 44 4.837 -8.666 8.989 1.00 0.00 C ATOM 693 O ARG A 44 4.357 -9.765 8.709 1.00 0.00 O ATOM 694 CB ARG A 44 4.236 -7.863 11.280 1.00 0.00 C ATOM 695 CG ARG A 44 3.517 -6.845 12.151 1.00 0.00 C ATOM 696 CD ARG A 44 4.183 -6.706 13.510 1.00 0.00 C ATOM 697 NE ARG A 44 3.855 -7.818 14.398 1.00 0.00 N ATOM 698 CZ ARG A 44 3.899 -7.739 15.723 1.00 0.00 C ATOM 699 NH1 ARG A 44 4.256 -6.605 16.311 1.00 0.00 N ATOM 700 NH2 ARG A 44 3.586 -8.795 16.463 1.00 0.00 N ATOM 0 H ARG A 44 2.159 -8.578 9.746 1.00 0.00 H new ATOM 0 HA ARG A 44 4.389 -6.643 9.519 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.887 -8.862 11.540 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.303 -7.830 11.503 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.507 -5.878 11.649 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.478 -7.147 12.283 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.264 -6.653 13.380 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.871 -5.769 13.972 1.00 0.00 H new ATOM 0 HE ARG A 44 3.577 -8.705 13.977 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.497 -5.791 15.745 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.289 -6.547 17.329 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.311 -9.669 16.014 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.620 -8.733 17.481 1.00 0.00 H new ATOM 714 N LEU A 45 6.063 -8.301 8.630 1.00 0.00 N ATOM 715 CA LEU A 45 6.935 -9.190 7.870 1.00 0.00 C ATOM 716 C LEU A 45 7.909 -9.916 8.792 1.00 0.00 C ATOM 717 O LEU A 45 8.293 -9.415 9.849 1.00 0.00 O ATOM 718 CB LEU A 45 7.709 -8.397 6.815 1.00 0.00 C ATOM 719 CG LEU A 45 6.864 -7.572 5.842 1.00 0.00 C ATOM 720 CD1 LEU A 45 7.756 -6.832 4.858 1.00 0.00 C ATOM 721 CD2 LEU A 45 5.877 -8.464 5.104 1.00 0.00 C ATOM 0 H LEU A 45 6.476 -7.395 8.853 1.00 0.00 H new ATOM 0 HA LEU A 45 6.311 -9.933 7.373 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.397 -7.725 7.327 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.315 -9.095 6.237 1.00 0.00 H new ATOM 0 HG LEU A 45 6.299 -6.836 6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.139 -6.250 4.173 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.422 -6.163 5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.347 -7.551 4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.285 -7.860 4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.422 -9.223 4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.216 -8.948 5.823 1.00 0.00 H new ATOM 733 N PRO A 46 8.320 -11.126 8.383 1.00 0.00 N ATOM 734 CA PRO A 46 9.257 -11.946 9.156 1.00 0.00 C ATOM 735 C PRO A 46 10.666 -11.363 9.168 1.00 0.00 C ATOM 736 O PRO A 46 11.224 -11.044 8.118 1.00 0.00 O ATOM 737 CB PRO A 46 9.241 -13.290 8.423 1.00 0.00 C ATOM 738 CG PRO A 46 8.842 -12.955 7.027 1.00 0.00 C ATOM 739 CD PRO A 46 7.903 -11.785 7.134 1.00 0.00 C ATOM 0 HA PRO A 46 8.969 -12.013 10.205 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.220 -13.768 8.451 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.535 -13.983 8.881 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.713 -12.702 6.422 1.00 0.00 H new ATOM 0 HG3 PRO A 46 8.355 -13.803 6.546 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.994 -11.117 6.277 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.863 -12.107 7.178 1.00 0.00 H new ATOM 747 N SER A 47 11.235 -11.227 10.361 1.00 0.00 N ATOM 748 CA SER A 47 12.578 -10.678 10.509 1.00 0.00 C ATOM 749 C SER A 47 13.617 -11.611 9.893 1.00 0.00 C ATOM 750 O SER A 47 13.329 -12.771 9.601 1.00 0.00 O ATOM 751 CB SER A 47 12.897 -10.446 11.987 1.00 0.00 C ATOM 752 OG SER A 47 12.686 -11.624 12.746 1.00 0.00 O ATOM 0 H SER A 47 10.787 -11.489 11.239 1.00 0.00 H new ATOM 0 HA SER A 47 12.614 -9.724 9.983 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.933 -10.123 12.092 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.271 -9.643 12.375 1.00 0.00 H new ATOM 0 HG SER A 47 12.899 -11.450 13.687 1.00 0.00 H new ATOM 758 N ARG A 48 14.826 -11.094 9.700 1.00 0.00 N ATOM 759 CA ARG A 48 15.908 -11.879 9.118 1.00 0.00 C ATOM 760 C ARG A 48 16.206 -13.110 9.969 1.00 0.00 C ATOM 761 O ARG A 48 16.286 -14.227 9.458 1.00 0.00 O ATOM 762 CB ARG A 48 17.169 -11.025 8.979 1.00 0.00 C ATOM 763 CG ARG A 48 18.076 -11.457 7.838 1.00 0.00 C ATOM 764 CD ARG A 48 18.892 -10.291 7.303 1.00 0.00 C ATOM 765 NE ARG A 48 19.731 -10.684 6.174 1.00 0.00 N ATOM 766 CZ ARG A 48 20.475 -9.830 5.479 1.00 0.00 C ATOM 767 NH1 ARG A 48 20.483 -8.543 5.797 1.00 0.00 N ATOM 768 NH2 ARG A 48 21.213 -10.263 4.465 1.00 0.00 N ATOM 0 H ARG A 48 15.081 -10.135 9.938 1.00 0.00 H new ATOM 0 HA ARG A 48 15.591 -12.210 8.129 1.00 0.00 H new ATOM 0 HB2 ARG A 48 16.878 -9.986 8.827 1.00 0.00 H new ATOM 0 HB3 ARG A 48 17.730 -11.066 9.913 1.00 0.00 H new ATOM 0 HG2 ARG A 48 18.747 -12.244 8.183 1.00 0.00 H new ATOM 0 HG3 ARG A 48 17.474 -11.881 7.034 1.00 0.00 H new ATOM 0 HD2 ARG A 48 18.221 -9.490 6.994 1.00 0.00 H new ATOM 0 HD3 ARG A 48 19.520 -9.892 8.100 1.00 0.00 H new ATOM 0 HE ARG A 48 19.747 -11.668 5.904 1.00 0.00 H new ATOM 0 HH11 ARG A 48 19.917 -8.207 6.576 1.00 0.00 H new ATOM 0 HH12 ARG A 48 21.055 -7.889 5.262 1.00 0.00 H new ATOM 0 HH21 ARG A 48 21.210 -11.253 4.218 1.00 0.00 H new ATOM 0 HH22 ARG A 48 21.784 -9.606 3.932 1.00 0.00 H new ATOM 782 N SER A 49 16.369 -12.897 11.271 1.00 0.00 N ATOM 783 CA SER A 49 16.662 -13.988 12.193 1.00 0.00 C ATOM 784 C SER A 49 15.735 -15.174 11.945 1.00 0.00 C ATOM 785 O SER A 49 16.190 -16.300 11.747 1.00 0.00 O ATOM 786 CB SER A 49 16.523 -13.512 13.641 1.00 0.00 C ATOM 787 OG SER A 49 17.552 -12.598 13.978 1.00 0.00 O ATOM 0 H SER A 49 16.303 -11.979 11.711 1.00 0.00 H new ATOM 0 HA SER A 49 17.689 -14.310 12.020 1.00 0.00 H new ATOM 0 HB2 SER A 49 15.551 -13.038 13.780 1.00 0.00 H new ATOM 0 HB3 SER A 49 16.559 -14.369 14.314 1.00 0.00 H new ATOM 0 HG SER A 49 17.440 -12.307 14.907 1.00 0.00 H new ATOM 793 N GLU A 50 14.432 -14.910 11.956 1.00 0.00 N ATOM 794 CA GLU A 50 13.440 -15.956 11.733 1.00 0.00 C ATOM 795 C GLU A 50 13.552 -16.519 10.319 1.00 0.00 C ATOM 796 O GLU A 50 13.760 -17.718 10.131 1.00 0.00 O ATOM 797 CB GLU A 50 12.030 -15.409 11.966 1.00 0.00 C ATOM 798 CG GLU A 50 11.609 -15.413 13.426 1.00 0.00 C ATOM 799 CD GLU A 50 11.234 -16.795 13.922 1.00 0.00 C ATOM 800 OE1 GLU A 50 11.790 -17.785 13.401 1.00 0.00 O ATOM 801 OE2 GLU A 50 10.383 -16.888 14.832 1.00 0.00 O ATOM 0 H GLU A 50 14.039 -13.983 12.117 1.00 0.00 H new ATOM 0 HA GLU A 50 13.632 -16.761 12.442 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.977 -14.389 11.584 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.320 -16.002 11.390 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.423 -15.021 14.036 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.760 -14.742 13.557 1.00 0.00 H new ATOM 808 N LEU A 51 13.411 -15.645 9.328 1.00 0.00 N ATOM 809 CA LEU A 51 13.496 -16.054 7.930 1.00 0.00 C ATOM 810 C LEU A 51 14.498 -15.191 7.170 1.00 0.00 C ATOM 811 O LEU A 51 14.136 -14.240 6.477 1.00 0.00 O ATOM 812 CB LEU A 51 12.121 -15.962 7.267 1.00 0.00 C ATOM 813 CG LEU A 51 11.854 -16.953 6.133 1.00 0.00 C ATOM 814 CD1 LEU A 51 11.937 -18.383 6.644 1.00 0.00 C ATOM 815 CD2 LEU A 51 10.496 -16.687 5.501 1.00 0.00 C ATOM 0 H LEU A 51 13.237 -14.649 9.466 1.00 0.00 H new ATOM 0 HA LEU A 51 13.839 -17.088 7.900 1.00 0.00 H new ATOM 0 HB2 LEU A 51 11.360 -16.105 8.034 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.995 -14.952 6.877 1.00 0.00 H new ATOM 0 HG LEU A 51 12.620 -16.817 5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 51 11.744 -19.074 5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.932 -18.568 7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.194 -18.533 7.427 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.323 -17.401 4.696 1.00 0.00 H new ATOM 0 HD22 LEU A 51 9.716 -16.794 6.255 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.474 -15.674 5.098 1.00 0.00 H new ATOM 827 N PRO A 52 15.789 -15.529 7.300 1.00 0.00 N ATOM 828 CA PRO A 52 16.870 -14.800 6.631 1.00 0.00 C ATOM 829 C PRO A 52 16.865 -15.013 5.121 1.00 0.00 C ATOM 830 O PRO A 52 17.719 -14.485 4.408 1.00 0.00 O ATOM 831 CB PRO A 52 18.137 -15.395 7.251 1.00 0.00 C ATOM 832 CG PRO A 52 17.736 -16.758 7.698 1.00 0.00 C ATOM 833 CD PRO A 52 16.294 -16.651 8.111 1.00 0.00 C ATOM 0 HA PRO A 52 16.779 -13.722 6.766 1.00 0.00 H new ATOM 0 HB2 PRO A 52 18.949 -15.439 6.526 1.00 0.00 H new ATOM 0 HB3 PRO A 52 18.489 -14.792 8.088 1.00 0.00 H new ATOM 0 HG2 PRO A 52 17.859 -17.484 6.894 1.00 0.00 H new ATOM 0 HG3 PRO A 52 18.356 -17.094 8.529 1.00 0.00 H new ATOM 0 HD2 PRO A 52 15.748 -17.572 7.907 1.00 0.00 H new ATOM 0 HD3 PRO A 52 16.195 -16.452 9.178 1.00 0.00 H new ATOM 841 N ASP A 53 15.899 -15.788 4.641 1.00 0.00 N ATOM 842 CA ASP A 53 15.782 -16.069 3.215 1.00 0.00 C ATOM 843 C ASP A 53 14.845 -15.073 2.540 1.00 0.00 C ATOM 844 O ASP A 53 15.091 -14.639 1.414 1.00 0.00 O ATOM 845 CB ASP A 53 15.276 -17.495 2.995 1.00 0.00 C ATOM 846 CG ASP A 53 16.231 -18.539 3.538 1.00 0.00 C ATOM 847 OD1 ASP A 53 16.567 -18.468 4.738 1.00 0.00 O ATOM 848 OD2 ASP A 53 16.643 -19.428 2.762 1.00 0.00 O ATOM 0 H ASP A 53 15.186 -16.233 5.218 1.00 0.00 H new ATOM 0 HA ASP A 53 16.771 -15.970 2.768 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.305 -17.611 3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 53 15.126 -17.664 1.929 1.00 0.00 H new ATOM 853 N TYR A 54 13.771 -14.715 3.234 1.00 0.00 N ATOM 854 CA TYR A 54 12.794 -13.773 2.700 1.00 0.00 C ATOM 855 C TYR A 54 13.488 -12.603 2.009 1.00 0.00 C ATOM 856 O TYR A 54 13.136 -12.232 0.889 1.00 0.00 O ATOM 857 CB TYR A 54 11.889 -13.255 3.819 1.00 0.00 C ATOM 858 CG TYR A 54 10.617 -12.609 3.319 1.00 0.00 C ATOM 859 CD1 TYR A 54 9.489 -13.371 3.042 1.00 0.00 C ATOM 860 CD2 TYR A 54 10.544 -11.235 3.123 1.00 0.00 C ATOM 861 CE1 TYR A 54 8.325 -12.784 2.584 1.00 0.00 C ATOM 862 CE2 TYR A 54 9.383 -10.640 2.667 1.00 0.00 C ATOM 863 CZ TYR A 54 8.277 -11.419 2.398 1.00 0.00 C ATOM 864 OH TYR A 54 7.119 -10.830 1.944 1.00 0.00 O ATOM 0 H TYR A 54 13.554 -15.063 4.168 1.00 0.00 H new ATOM 0 HA TYR A 54 12.185 -14.298 1.964 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.631 -14.083 4.479 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.443 -12.532 4.417 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.522 -14.441 3.187 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.409 -10.622 3.330 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.457 -13.391 2.373 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.342 -9.571 2.522 1.00 0.00 H new ATOM 0 HH TYR A 54 7.252 -9.862 1.868 1.00 0.00 H new ATOM 874 N TYR A 55 14.476 -12.027 2.684 1.00 0.00 N ATOM 875 CA TYR A 55 15.219 -10.898 2.138 1.00 0.00 C ATOM 876 C TYR A 55 15.982 -11.305 0.881 1.00 0.00 C ATOM 877 O TYR A 55 15.873 -10.660 -0.162 1.00 0.00 O ATOM 878 CB TYR A 55 16.191 -10.346 3.182 1.00 0.00 C ATOM 879 CG TYR A 55 15.533 -9.449 4.207 1.00 0.00 C ATOM 880 CD1 TYR A 55 14.738 -8.379 3.813 1.00 0.00 C ATOM 881 CD2 TYR A 55 15.708 -9.669 5.567 1.00 0.00 C ATOM 882 CE1 TYR A 55 14.136 -7.556 4.746 1.00 0.00 C ATOM 883 CE2 TYR A 55 15.109 -8.853 6.506 1.00 0.00 C ATOM 884 CZ TYR A 55 14.324 -7.797 6.091 1.00 0.00 C ATOM 885 OH TYR A 55 13.726 -6.981 7.023 1.00 0.00 O ATOM 0 H TYR A 55 14.781 -12.324 3.611 1.00 0.00 H new ATOM 0 HA TYR A 55 14.503 -10.120 1.871 1.00 0.00 H new ATOM 0 HB2 TYR A 55 16.671 -11.179 3.695 1.00 0.00 H new ATOM 0 HB3 TYR A 55 16.978 -9.788 2.675 1.00 0.00 H new ATOM 0 HD1 TYR A 55 14.588 -8.188 2.761 1.00 0.00 H new ATOM 0 HD2 TYR A 55 16.324 -10.493 5.896 1.00 0.00 H new ATOM 0 HE1 TYR A 55 13.522 -6.728 4.424 1.00 0.00 H new ATOM 0 HE2 TYR A 55 15.254 -9.040 7.560 1.00 0.00 H new ATOM 0 HH TYR A 55 13.959 -7.288 7.924 1.00 0.00 H new ATOM 895 N LEU A 56 16.755 -12.380 0.990 1.00 0.00 N ATOM 896 CA LEU A 56 17.538 -12.876 -0.137 1.00 0.00 C ATOM 897 C LEU A 56 16.656 -13.081 -1.365 1.00 0.00 C ATOM 898 O LEU A 56 16.885 -12.482 -2.415 1.00 0.00 O ATOM 899 CB LEU A 56 18.228 -14.190 0.235 1.00 0.00 C ATOM 900 CG LEU A 56 19.229 -14.119 1.389 1.00 0.00 C ATOM 901 CD1 LEU A 56 19.750 -15.506 1.729 1.00 0.00 C ATOM 902 CD2 LEU A 56 20.379 -13.185 1.042 1.00 0.00 C ATOM 0 H LEU A 56 16.856 -12.925 1.846 1.00 0.00 H new ATOM 0 HA LEU A 56 18.296 -12.130 -0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.461 -14.921 0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 56 18.746 -14.567 -0.647 1.00 0.00 H new ATOM 0 HG LEU A 56 18.717 -13.721 2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 56 20.461 -15.436 2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.917 -16.146 2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 56 20.246 -15.932 0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.081 -13.147 1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.891 -13.553 0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 56 19.990 -12.185 0.850 1.00 0.00 H new ATOM 914 N THR A 57 15.644 -13.932 -1.224 1.00 0.00 N ATOM 915 CA THR A 57 14.726 -14.216 -2.320 1.00 0.00 C ATOM 916 C THR A 57 14.017 -12.950 -2.785 1.00 0.00 C ATOM 917 O THR A 57 14.227 -12.485 -3.906 1.00 0.00 O ATOM 918 CB THR A 57 13.671 -15.262 -1.913 1.00 0.00 C ATOM 919 OG1 THR A 57 14.315 -16.430 -1.391 1.00 0.00 O ATOM 920 CG2 THR A 57 12.802 -15.644 -3.101 1.00 0.00 C ATOM 0 H THR A 57 15.440 -14.436 -0.361 1.00 0.00 H new ATOM 0 HA THR A 57 15.325 -14.615 -3.138 1.00 0.00 H new ATOM 0 HB THR A 57 13.035 -14.824 -1.144 1.00 0.00 H new ATOM 0 HG1 THR A 57 13.637 -17.089 -1.133 1.00 0.00 H new ATOM 0 HG21 THR A 57 12.065 -16.384 -2.789 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.291 -14.758 -3.478 1.00 0.00 H new ATOM 0 HG23 THR A 57 13.427 -16.064 -3.889 1.00 0.00 H new ATOM 928 N ILE A 58 13.176 -12.396 -1.918 1.00 0.00 N ATOM 929 CA ILE A 58 12.437 -11.181 -2.240 1.00 0.00 C ATOM 930 C ILE A 58 13.383 -10.041 -2.599 1.00 0.00 C ATOM 931 O ILE A 58 14.501 -9.963 -2.089 1.00 0.00 O ATOM 932 CB ILE A 58 11.540 -10.740 -1.068 1.00 0.00 C ATOM 933 CG1 ILE A 58 10.617 -11.885 -0.645 1.00 0.00 C ATOM 934 CG2 ILE A 58 10.728 -9.513 -1.455 1.00 0.00 C ATOM 935 CD1 ILE A 58 9.624 -12.287 -1.713 1.00 0.00 C ATOM 0 H ILE A 58 12.989 -12.769 -0.987 1.00 0.00 H new ATOM 0 HA ILE A 58 11.809 -11.413 -3.100 1.00 0.00 H new ATOM 0 HB ILE A 58 12.175 -10.479 -0.222 1.00 0.00 H new ATOM 0 HG12 ILE A 58 11.224 -12.751 -0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 58 10.073 -11.590 0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.099 -9.214 -0.617 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.403 -8.697 -1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.100 -9.749 -2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.003 -13.103 -1.344 1.00 0.00 H new ATOM 0 HD12 ILE A 58 8.992 -11.434 -1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.160 -12.613 -2.604 1.00 0.00 H new ATOM 947 N LYS A 59 12.927 -9.155 -3.478 1.00 0.00 N ATOM 948 CA LYS A 59 13.730 -8.015 -3.904 1.00 0.00 C ATOM 949 C LYS A 59 13.205 -6.721 -3.293 1.00 0.00 C ATOM 950 O LYS A 59 13.963 -5.943 -2.713 1.00 0.00 O ATOM 951 CB LYS A 59 13.731 -7.908 -5.431 1.00 0.00 C ATOM 952 CG LYS A 59 14.192 -9.175 -6.130 1.00 0.00 C ATOM 953 CD LYS A 59 15.697 -9.181 -6.338 1.00 0.00 C ATOM 954 CE LYS A 59 16.107 -10.178 -7.411 1.00 0.00 C ATOM 955 NZ LYS A 59 17.587 -10.290 -7.527 1.00 0.00 N ATOM 0 H LYS A 59 12.004 -9.205 -3.910 1.00 0.00 H new ATOM 0 HA LYS A 59 14.751 -8.171 -3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.725 -7.662 -5.770 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.378 -7.083 -5.728 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.902 -10.044 -5.539 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.690 -9.263 -7.094 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.030 -8.183 -6.621 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.194 -9.429 -5.400 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.686 -11.156 -7.178 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.690 -9.872 -8.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 17.826 -10.979 -8.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.987 -9.362 -7.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.983 -10.607 -6.619 1.00 0.00 H new ATOM 969 N LYS A 60 11.902 -6.496 -3.424 1.00 0.00 N ATOM 970 CA LYS A 60 11.274 -5.297 -2.882 1.00 0.00 C ATOM 971 C LYS A 60 10.188 -5.659 -1.874 1.00 0.00 C ATOM 972 O LYS A 60 8.998 -5.678 -2.187 1.00 0.00 O ATOM 973 CB LYS A 60 10.675 -4.455 -4.012 1.00 0.00 C ATOM 974 CG LYS A 60 9.979 -3.195 -3.528 1.00 0.00 C ATOM 975 CD LYS A 60 10.960 -2.047 -3.355 1.00 0.00 C ATOM 976 CE LYS A 60 10.375 -0.939 -2.493 1.00 0.00 C ATOM 977 NZ LYS A 60 11.253 0.264 -2.466 1.00 0.00 N ATOM 0 H LYS A 60 11.260 -7.129 -3.901 1.00 0.00 H new ATOM 0 HA LYS A 60 12.041 -4.716 -2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.468 -4.178 -4.707 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.962 -5.063 -4.568 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.205 -2.909 -4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.481 -3.395 -2.579 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.878 -2.417 -2.899 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.228 -1.646 -4.332 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.392 -0.663 -2.874 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.231 -1.307 -1.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.820 0.997 -1.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.183 0.006 -2.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.370 0.630 -3.432 1.00 0.00 H new ATOM 991 N PRO A 61 10.606 -5.954 -0.634 1.00 0.00 N ATOM 992 CA PRO A 61 9.685 -6.319 0.446 1.00 0.00 C ATOM 993 C PRO A 61 8.834 -5.140 0.907 1.00 0.00 C ATOM 994 O PRO A 61 9.176 -4.456 1.871 1.00 0.00 O ATOM 995 CB PRO A 61 10.618 -6.777 1.570 1.00 0.00 C ATOM 996 CG PRO A 61 11.903 -6.071 1.305 1.00 0.00 C ATOM 997 CD PRO A 61 12.010 -5.952 -0.190 1.00 0.00 C ATOM 0 HA PRO A 61 8.970 -7.079 0.131 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.217 -6.515 2.549 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.751 -7.859 1.559 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.913 -5.088 1.776 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.746 -6.629 1.713 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.523 -5.037 -0.484 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.569 -6.783 -0.620 1.00 0.00 H new ATOM 1005 N MET A 62 7.726 -4.909 0.212 1.00 0.00 N ATOM 1006 CA MET A 62 6.826 -3.812 0.552 1.00 0.00 C ATOM 1007 C MET A 62 5.626 -4.320 1.345 1.00 0.00 C ATOM 1008 O MET A 62 4.836 -5.122 0.849 1.00 0.00 O ATOM 1009 CB MET A 62 6.350 -3.103 -0.718 1.00 0.00 C ATOM 1010 CG MET A 62 5.259 -2.074 -0.466 1.00 0.00 C ATOM 1011 SD MET A 62 5.837 -0.675 0.513 1.00 0.00 S ATOM 1012 CE MET A 62 7.059 0.029 -0.591 1.00 0.00 C ATOM 0 H MET A 62 7.429 -5.466 -0.589 1.00 0.00 H new ATOM 0 HA MET A 62 7.375 -3.103 1.172 1.00 0.00 H new ATOM 0 HB2 MET A 62 7.200 -2.611 -1.190 1.00 0.00 H new ATOM 0 HB3 MET A 62 5.980 -3.847 -1.423 1.00 0.00 H new ATOM 0 HG2 MET A 62 4.879 -1.712 -1.421 1.00 0.00 H new ATOM 0 HG3 MET A 62 4.425 -2.552 0.048 1.00 0.00 H new ATOM 0 HE1 MET A 62 7.418 0.973 -0.182 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.895 -0.662 -0.696 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.608 0.205 -1.568 1.00 0.00 H new ATOM 1022 N ASP A 63 5.497 -3.847 2.580 1.00 0.00 N ATOM 1023 CA ASP A 63 4.393 -4.253 3.442 1.00 0.00 C ATOM 1024 C ASP A 63 3.482 -3.069 3.752 1.00 0.00 C ATOM 1025 O ASP A 63 3.706 -1.959 3.271 1.00 0.00 O ATOM 1026 CB ASP A 63 4.928 -4.854 4.743 1.00 0.00 C ATOM 1027 CG ASP A 63 6.005 -3.996 5.378 1.00 0.00 C ATOM 1028 OD1 ASP A 63 6.966 -3.630 4.668 1.00 0.00 O ATOM 1029 OD2 ASP A 63 5.889 -3.692 6.583 1.00 0.00 O ATOM 0 H ASP A 63 6.143 -3.183 3.006 1.00 0.00 H new ATOM 0 HA ASP A 63 3.811 -5.008 2.914 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.105 -4.979 5.447 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.330 -5.847 4.543 1.00 0.00 H new ATOM 1034 N MET A 64 2.453 -3.315 4.556 1.00 0.00 N ATOM 1035 CA MET A 64 1.508 -2.269 4.929 1.00 0.00 C ATOM 1036 C MET A 64 2.168 -1.240 5.842 1.00 0.00 C ATOM 1037 O MET A 64 2.162 -0.045 5.550 1.00 0.00 O ATOM 1038 CB MET A 64 0.289 -2.878 5.625 1.00 0.00 C ATOM 1039 CG MET A 64 -0.544 -3.770 4.720 1.00 0.00 C ATOM 1040 SD MET A 64 -2.053 -4.352 5.517 1.00 0.00 S ATOM 1041 CE MET A 64 -3.017 -2.843 5.560 1.00 0.00 C ATOM 0 H MET A 64 2.252 -4.229 4.962 1.00 0.00 H new ATOM 0 HA MET A 64 1.184 -1.765 4.018 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.624 -3.458 6.485 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.340 -2.074 6.008 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.804 -3.221 3.815 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.054 -4.628 4.412 1.00 0.00 H new ATOM 0 HE1 MET A 64 -4.065 -3.086 5.738 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.652 -2.201 6.362 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.922 -2.323 4.607 1.00 0.00 H new ATOM 1051 N GLU A 65 2.736 -1.714 6.947 1.00 0.00 N ATOM 1052 CA GLU A 65 3.399 -0.834 7.902 1.00 0.00 C ATOM 1053 C GLU A 65 4.252 0.206 7.182 1.00 0.00 C ATOM 1054 O GLU A 65 4.337 1.359 7.606 1.00 0.00 O ATOM 1055 CB GLU A 65 4.269 -1.648 8.861 1.00 0.00 C ATOM 1056 CG GLU A 65 3.479 -2.349 9.954 1.00 0.00 C ATOM 1057 CD GLU A 65 2.958 -1.387 11.005 1.00 0.00 C ATOM 1058 OE1 GLU A 65 2.203 -0.462 10.640 1.00 0.00 O ATOM 1059 OE2 GLU A 65 3.306 -1.561 12.192 1.00 0.00 O ATOM 0 H GLU A 65 2.750 -2.701 7.202 1.00 0.00 H new ATOM 0 HA GLU A 65 2.629 -0.315 8.473 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.824 -2.393 8.291 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.003 -0.987 9.322 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.640 -2.882 9.506 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.112 -3.096 10.433 1.00 0.00 H new ATOM 1066 N LYS A 66 4.884 -0.209 6.090 1.00 0.00 N ATOM 1067 CA LYS A 66 5.731 0.684 5.308 1.00 0.00 C ATOM 1068 C LYS A 66 4.959 1.927 4.878 1.00 0.00 C ATOM 1069 O LYS A 66 5.453 3.049 5.001 1.00 0.00 O ATOM 1070 CB LYS A 66 6.275 -0.043 4.077 1.00 0.00 C ATOM 1071 CG LYS A 66 7.630 0.468 3.617 1.00 0.00 C ATOM 1072 CD LYS A 66 8.432 -0.622 2.927 1.00 0.00 C ATOM 1073 CE LYS A 66 9.713 -0.071 2.318 1.00 0.00 C ATOM 1074 NZ LYS A 66 10.707 -1.146 2.050 1.00 0.00 N ATOM 0 H LYS A 66 4.826 -1.160 5.726 1.00 0.00 H new ATOM 0 HA LYS A 66 6.566 0.995 5.936 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.354 -1.107 4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.561 0.060 3.260 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.491 1.306 2.934 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.188 0.844 4.474 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.677 -1.405 3.645 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.826 -1.083 2.147 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.479 0.447 1.388 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.148 0.666 2.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.565 -0.730 1.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.950 -1.624 2.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.302 -1.836 1.386 1.00 0.00 H new ATOM 1088 N ILE A 67 3.747 1.721 4.375 1.00 0.00 N ATOM 1089 CA ILE A 67 2.907 2.826 3.930 1.00 0.00 C ATOM 1090 C ILE A 67 2.508 3.719 5.099 1.00 0.00 C ATOM 1091 O ILE A 67 2.652 4.940 5.039 1.00 0.00 O ATOM 1092 CB ILE A 67 1.634 2.318 3.228 1.00 0.00 C ATOM 1093 CG1 ILE A 67 1.964 1.827 1.817 1.00 0.00 C ATOM 1094 CG2 ILE A 67 0.581 3.415 3.181 1.00 0.00 C ATOM 1095 CD1 ILE A 67 2.326 0.360 1.757 1.00 0.00 C ATOM 0 H ILE A 67 3.325 0.799 4.265 1.00 0.00 H new ATOM 0 HA ILE A 67 3.497 3.405 3.220 1.00 0.00 H new ATOM 0 HB ILE A 67 1.232 1.481 3.798 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.107 2.008 1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.793 2.414 1.421 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.313 3.040 2.682 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.328 3.721 4.196 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.972 4.271 2.631 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.548 0.082 0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.202 0.176 2.379 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.490 -0.236 2.122 1.00 0.00 H new ATOM 1107 N ARG A 68 2.007 3.101 6.164 1.00 0.00 N ATOM 1108 CA ARG A 68 1.587 3.840 7.349 1.00 0.00 C ATOM 1109 C ARG A 68 2.740 4.666 7.912 1.00 0.00 C ATOM 1110 O ARG A 68 2.537 5.766 8.425 1.00 0.00 O ATOM 1111 CB ARG A 68 1.065 2.878 8.418 1.00 0.00 C ATOM 1112 CG ARG A 68 0.428 3.578 9.608 1.00 0.00 C ATOM 1113 CD ARG A 68 0.200 2.615 10.762 1.00 0.00 C ATOM 1114 NE ARG A 68 -1.112 1.977 10.691 1.00 0.00 N ATOM 1115 CZ ARG A 68 -2.259 2.640 10.797 1.00 0.00 C ATOM 1116 NH1 ARG A 68 -2.254 3.953 10.977 1.00 0.00 N ATOM 1117 NH2 ARG A 68 -3.412 1.989 10.722 1.00 0.00 N ATOM 0 H ARG A 68 1.882 2.091 6.231 1.00 0.00 H new ATOM 0 HA ARG A 68 0.785 4.518 7.058 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.333 2.209 7.966 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.889 2.258 8.770 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.069 4.396 9.936 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.522 4.019 9.307 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.976 1.850 10.754 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.291 3.152 11.706 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.150 0.967 10.552 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.369 4.457 11.034 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.135 4.460 11.058 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.419 0.979 10.583 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.292 2.499 10.803 1.00 0.00 H new ATOM 1131 N SER A 69 3.951 4.127 7.812 1.00 0.00 N ATOM 1132 CA SER A 69 5.137 4.811 8.314 1.00 0.00 C ATOM 1133 C SER A 69 5.271 6.196 7.688 1.00 0.00 C ATOM 1134 O SER A 69 5.109 7.213 8.362 1.00 0.00 O ATOM 1135 CB SER A 69 6.390 3.983 8.024 1.00 0.00 C ATOM 1136 OG SER A 69 7.502 4.468 8.757 1.00 0.00 O ATOM 0 H SER A 69 4.137 3.218 7.388 1.00 0.00 H new ATOM 0 HA SER A 69 5.030 4.928 9.392 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.208 2.940 8.281 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.612 4.014 6.957 1.00 0.00 H new ATOM 0 HG SER A 69 8.290 3.921 8.556 1.00 0.00 H new ATOM 1142 N HIS A 70 5.569 6.226 6.393 1.00 0.00 N ATOM 1143 CA HIS A 70 5.726 7.485 5.674 1.00 0.00 C ATOM 1144 C HIS A 70 4.406 8.250 5.624 1.00 0.00 C ATOM 1145 O HIS A 70 4.376 9.466 5.806 1.00 0.00 O ATOM 1146 CB HIS A 70 6.233 7.227 4.255 1.00 0.00 C ATOM 1147 CG HIS A 70 7.618 6.659 4.208 1.00 0.00 C ATOM 1148 ND1 HIS A 70 7.925 5.386 4.642 1.00 0.00 N ATOM 1149 CD2 HIS A 70 8.782 7.197 3.774 1.00 0.00 C ATOM 1150 CE1 HIS A 70 9.217 5.167 4.478 1.00 0.00 C ATOM 1151 NE2 HIS A 70 9.760 6.250 3.952 1.00 0.00 N ATOM 0 H HIS A 70 5.707 5.393 5.820 1.00 0.00 H new ATOM 0 HA HIS A 70 6.458 8.091 6.208 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.551 6.541 3.753 1.00 0.00 H new ATOM 0 HB3 HIS A 70 6.213 8.162 3.695 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.916 8.187 3.364 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.741 4.257 4.731 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.746 6.364 3.716 1.00 0.00 H new ATOM 1160 N MET A 71 3.319 7.528 5.375 1.00 0.00 N ATOM 1161 CA MET A 71 1.996 8.139 5.301 1.00 0.00 C ATOM 1162 C MET A 71 1.729 9.006 6.527 1.00 0.00 C ATOM 1163 O MET A 71 1.150 10.086 6.420 1.00 0.00 O ATOM 1164 CB MET A 71 0.919 7.060 5.181 1.00 0.00 C ATOM 1165 CG MET A 71 -0.495 7.616 5.135 1.00 0.00 C ATOM 1166 SD MET A 71 -1.744 6.325 4.974 1.00 0.00 S ATOM 1167 CE MET A 71 -1.773 5.673 6.642 1.00 0.00 C ATOM 0 H MET A 71 3.327 6.520 5.221 1.00 0.00 H new ATOM 0 HA MET A 71 1.965 8.773 4.415 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.100 6.476 4.279 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.005 6.377 6.026 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.686 8.189 6.042 1.00 0.00 H new ATOM 0 HG3 MET A 71 -0.582 8.307 4.297 1.00 0.00 H new ATOM 0 HE1 MET A 71 -1.772 4.584 6.607 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.893 6.020 7.184 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.672 6.018 7.152 1.00 0.00 H new ATOM 1177 N MET A 72 2.155 8.525 7.691 1.00 0.00 N ATOM 1178 CA MET A 72 1.962 9.258 8.937 1.00 0.00 C ATOM 1179 C MET A 72 2.901 10.457 9.013 1.00 0.00 C ATOM 1180 O MET A 72 2.636 11.419 9.733 1.00 0.00 O ATOM 1181 CB MET A 72 2.194 8.337 10.136 1.00 0.00 C ATOM 1182 CG MET A 72 1.033 7.395 10.413 1.00 0.00 C ATOM 1183 SD MET A 72 -0.467 8.268 10.904 1.00 0.00 S ATOM 1184 CE MET A 72 -1.506 7.987 9.473 1.00 0.00 C ATOM 0 H MET A 72 2.636 7.632 7.797 1.00 0.00 H new ATOM 0 HA MET A 72 0.935 9.622 8.961 1.00 0.00 H new ATOM 0 HB2 MET A 72 3.095 7.749 9.963 1.00 0.00 H new ATOM 0 HB3 MET A 72 2.376 8.946 11.021 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.829 6.804 9.520 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.317 6.697 11.200 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.167 8.842 9.330 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.881 7.859 8.589 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.103 7.089 9.628 1.00 0.00 H new ATOM 1194 N ALA A 73 3.998 10.392 8.266 1.00 0.00 N ATOM 1195 CA ALA A 73 4.975 11.474 8.249 1.00 0.00 C ATOM 1196 C ALA A 73 4.727 12.419 7.078 1.00 0.00 C ATOM 1197 O ALA A 73 5.580 13.236 6.736 1.00 0.00 O ATOM 1198 CB ALA A 73 6.387 10.910 8.183 1.00 0.00 C ATOM 0 H ALA A 73 4.233 9.602 7.665 1.00 0.00 H new ATOM 0 HA ALA A 73 4.865 12.043 9.172 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.106 11.729 8.171 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.569 10.281 9.054 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.499 10.315 7.276 1.00 0.00 H new ATOM 1204 N ASN A 74 3.552 12.301 6.467 1.00 0.00 N ATOM 1205 CA ASN A 74 3.192 13.145 5.333 1.00 0.00 C ATOM 1206 C ASN A 74 4.348 13.246 4.342 1.00 0.00 C ATOM 1207 O ASN A 74 4.623 14.316 3.799 1.00 0.00 O ATOM 1208 CB ASN A 74 2.796 14.541 5.815 1.00 0.00 C ATOM 1209 CG ASN A 74 1.731 14.500 6.894 1.00 0.00 C ATOM 1210 OD1 ASN A 74 1.205 13.436 7.223 1.00 0.00 O ATOM 1211 ND2 ASN A 74 1.408 15.661 7.452 1.00 0.00 N ATOM 0 H ASN A 74 2.834 11.630 6.738 1.00 0.00 H new ATOM 0 HA ASN A 74 2.341 12.688 4.827 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.678 15.054 6.198 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.431 15.124 4.970 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.699 15.695 8.184 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.869 16.519 7.149 1.00 0.00 H new ATOM 1218 N LYS A 75 5.020 12.124 4.109 1.00 0.00 N ATOM 1219 CA LYS A 75 6.145 12.083 3.182 1.00 0.00 C ATOM 1220 C LYS A 75 5.680 11.713 1.778 1.00 0.00 C ATOM 1221 O LYS A 75 6.482 11.639 0.847 1.00 0.00 O ATOM 1222 CB LYS A 75 7.195 11.079 3.665 1.00 0.00 C ATOM 1223 CG LYS A 75 8.074 11.609 4.784 1.00 0.00 C ATOM 1224 CD LYS A 75 9.073 10.564 5.250 1.00 0.00 C ATOM 1225 CE LYS A 75 9.800 11.010 6.510 1.00 0.00 C ATOM 1226 NZ LYS A 75 10.829 10.022 6.936 1.00 0.00 N ATOM 0 H LYS A 75 4.805 11.230 4.550 1.00 0.00 H new ATOM 0 HA LYS A 75 6.591 13.077 3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.691 10.175 4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.826 10.793 2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.607 12.496 4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.450 11.917 5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.555 9.624 5.441 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.798 10.374 4.459 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.275 11.975 6.333 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.078 11.152 7.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.302 10.363 7.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.373 9.108 7.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.532 9.905 6.179 1.00 0.00 H new ATOM 1240 N TYR A 76 4.379 11.483 1.632 1.00 0.00 N ATOM 1241 CA TYR A 76 3.808 11.119 0.341 1.00 0.00 C ATOM 1242 C TYR A 76 3.609 12.353 -0.534 1.00 0.00 C ATOM 1243 O TYR A 76 3.815 13.482 -0.089 1.00 0.00 O ATOM 1244 CB TYR A 76 2.473 10.398 0.536 1.00 0.00 C ATOM 1245 CG TYR A 76 1.583 11.041 1.576 1.00 0.00 C ATOM 1246 CD1 TYR A 76 1.320 12.405 1.546 1.00 0.00 C ATOM 1247 CD2 TYR A 76 1.005 10.284 2.588 1.00 0.00 C ATOM 1248 CE1 TYR A 76 0.509 12.997 2.495 1.00 0.00 C ATOM 1249 CE2 TYR A 76 0.192 10.867 3.540 1.00 0.00 C ATOM 1250 CZ TYR A 76 -0.053 12.224 3.489 1.00 0.00 C ATOM 1251 OH TYR A 76 -0.863 12.809 4.435 1.00 0.00 O ATOM 0 H TYR A 76 3.701 11.542 2.392 1.00 0.00 H new ATOM 0 HA TYR A 76 4.506 10.449 -0.161 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.943 10.369 -0.416 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.666 9.365 0.824 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.757 13.013 0.768 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.195 9.222 2.631 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.316 14.059 2.459 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.249 10.264 4.320 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.179 12.126 5.063 1.00 0.00 H new ATOM 1261 N GLN A 77 3.207 12.128 -1.780 1.00 0.00 N ATOM 1262 CA GLN A 77 2.980 13.221 -2.719 1.00 0.00 C ATOM 1263 C GLN A 77 1.547 13.201 -3.241 1.00 0.00 C ATOM 1264 O GLN A 77 0.989 14.242 -3.589 1.00 0.00 O ATOM 1265 CB GLN A 77 3.963 13.130 -3.887 1.00 0.00 C ATOM 1266 CG GLN A 77 3.748 14.198 -4.948 1.00 0.00 C ATOM 1267 CD GLN A 77 3.707 15.597 -4.367 1.00 0.00 C ATOM 1268 OE1 GLN A 77 4.278 15.860 -3.308 1.00 0.00 O ATOM 1269 NE2 GLN A 77 3.029 16.506 -5.059 1.00 0.00 N ATOM 0 H GLN A 77 3.032 11.199 -2.163 1.00 0.00 H new ATOM 0 HA GLN A 77 3.141 14.161 -2.191 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.980 13.211 -3.503 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.875 12.147 -4.350 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.548 14.138 -5.686 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.814 14.000 -5.474 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.571 16.245 -5.932 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.967 17.465 -4.717 1.00 0.00 H new ATOM 1278 N ASP A 78 0.958 12.012 -3.294 1.00 0.00 N ATOM 1279 CA ASP A 78 -0.410 11.857 -3.773 1.00 0.00 C ATOM 1280 C ASP A 78 -0.922 10.445 -3.508 1.00 0.00 C ATOM 1281 O ASP A 78 -0.155 9.555 -3.141 1.00 0.00 O ATOM 1282 CB ASP A 78 -0.488 12.169 -5.269 1.00 0.00 C ATOM 1283 CG ASP A 78 -1.853 11.864 -5.853 1.00 0.00 C ATOM 1284 OD1 ASP A 78 -2.780 12.674 -5.647 1.00 0.00 O ATOM 1285 OD2 ASP A 78 -1.994 10.816 -6.517 1.00 0.00 O ATOM 0 H ASP A 78 1.407 11.141 -3.011 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.041 12.561 -3.230 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.254 13.221 -5.431 1.00 0.00 H new ATOM 0 HB3 ASP A 78 0.268 11.589 -5.798 1.00 0.00 H new ATOM 1290 N ILE A 79 -2.223 10.248 -3.695 1.00 0.00 N ATOM 1291 CA ILE A 79 -2.837 8.944 -3.476 1.00 0.00 C ATOM 1292 C ILE A 79 -2.022 7.836 -4.134 1.00 0.00 C ATOM 1293 O ILE A 79 -2.020 6.695 -3.671 1.00 0.00 O ATOM 1294 CB ILE A 79 -4.276 8.901 -4.021 1.00 0.00 C ATOM 1295 CG1 ILE A 79 -5.219 9.673 -3.096 1.00 0.00 C ATOM 1296 CG2 ILE A 79 -4.741 7.461 -4.178 1.00 0.00 C ATOM 1297 CD1 ILE A 79 -5.442 8.998 -1.761 1.00 0.00 C ATOM 0 H ILE A 79 -2.872 10.975 -3.998 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.861 8.783 -2.398 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.291 9.376 -5.002 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.813 10.670 -2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.180 9.801 -3.594 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.760 7.448 -4.564 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.083 6.940 -4.873 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.714 6.962 -3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.120 9.601 -1.157 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.877 8.011 -1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.489 8.895 -1.242 1.00 0.00 H new ATOM 1309 N ASP A 80 -1.331 8.179 -5.215 1.00 0.00 N ATOM 1310 CA ASP A 80 -0.509 7.214 -5.935 1.00 0.00 C ATOM 1311 C ASP A 80 0.612 6.684 -5.047 1.00 0.00 C ATOM 1312 O ASP A 80 0.970 5.508 -5.116 1.00 0.00 O ATOM 1313 CB ASP A 80 0.080 7.852 -7.194 1.00 0.00 C ATOM 1314 CG ASP A 80 0.577 6.821 -8.188 1.00 0.00 C ATOM 1315 OD1 ASP A 80 1.634 6.209 -7.928 1.00 0.00 O ATOM 1316 OD2 ASP A 80 -0.090 6.626 -9.226 1.00 0.00 O ATOM 0 H ASP A 80 -1.324 9.118 -5.612 1.00 0.00 H new ATOM 0 HA ASP A 80 -1.145 6.377 -6.224 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.677 8.476 -7.670 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.904 8.509 -6.914 1.00 0.00 H new ATOM 1321 N SER A 81 1.164 7.560 -4.213 1.00 0.00 N ATOM 1322 CA SER A 81 2.248 7.182 -3.314 1.00 0.00 C ATOM 1323 C SER A 81 1.936 5.864 -2.611 1.00 0.00 C ATOM 1324 O SER A 81 2.838 5.088 -2.297 1.00 0.00 O ATOM 1325 CB SER A 81 2.487 8.282 -2.278 1.00 0.00 C ATOM 1326 OG SER A 81 3.249 9.343 -2.827 1.00 0.00 O ATOM 0 H SER A 81 0.878 8.536 -4.141 1.00 0.00 H new ATOM 0 HA SER A 81 3.152 7.051 -3.909 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.530 8.664 -1.921 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.006 7.866 -1.415 1.00 0.00 H new ATOM 0 HG SER A 81 4.005 9.542 -2.236 1.00 0.00 H new ATOM 1332 N MET A 82 0.653 5.620 -2.368 1.00 0.00 N ATOM 1333 CA MET A 82 0.221 4.396 -1.703 1.00 0.00 C ATOM 1334 C MET A 82 -0.012 3.280 -2.717 1.00 0.00 C ATOM 1335 O MET A 82 0.616 2.223 -2.646 1.00 0.00 O ATOM 1336 CB MET A 82 -1.058 4.649 -0.903 1.00 0.00 C ATOM 1337 CG MET A 82 -0.802 5.084 0.531 1.00 0.00 C ATOM 1338 SD MET A 82 -2.153 4.645 1.641 1.00 0.00 S ATOM 1339 CE MET A 82 -3.572 5.011 0.610 1.00 0.00 C ATOM 0 H MET A 82 -0.106 6.253 -2.621 1.00 0.00 H new ATOM 0 HA MET A 82 1.012 4.084 -1.021 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.646 5.416 -1.407 1.00 0.00 H new ATOM 0 HB3 MET A 82 -1.659 3.739 -0.896 1.00 0.00 H new ATOM 0 HG2 MET A 82 0.120 4.624 0.887 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.651 6.163 0.558 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.426 5.259 1.241 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.342 5.857 -0.038 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.812 4.141 -0.000 1.00 0.00 H new ATOM 1349 N VAL A 83 -0.918 3.521 -3.659 1.00 0.00 N ATOM 1350 CA VAL A 83 -1.232 2.536 -4.687 1.00 0.00 C ATOM 1351 C VAL A 83 0.037 1.913 -5.258 1.00 0.00 C ATOM 1352 O VAL A 83 0.072 0.722 -5.562 1.00 0.00 O ATOM 1353 CB VAL A 83 -2.044 3.164 -5.835 1.00 0.00 C ATOM 1354 CG1 VAL A 83 -2.289 2.144 -6.937 1.00 0.00 C ATOM 1355 CG2 VAL A 83 -3.360 3.723 -5.314 1.00 0.00 C ATOM 0 H VAL A 83 -1.447 4.390 -3.732 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.831 1.760 -4.210 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.467 3.987 -6.256 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.864 2.606 -7.739 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.334 1.796 -7.330 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.845 1.298 -6.533 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.921 4.163 -6.139 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.945 2.920 -4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.159 4.488 -4.564 1.00 0.00 H new ATOM 1365 N GLU A 84 1.077 2.728 -5.400 1.00 0.00 N ATOM 1366 CA GLU A 84 2.349 2.256 -5.935 1.00 0.00 C ATOM 1367 C GLU A 84 2.985 1.230 -5.001 1.00 0.00 C ATOM 1368 O GLU A 84 3.637 0.287 -5.450 1.00 0.00 O ATOM 1369 CB GLU A 84 3.306 3.431 -6.147 1.00 0.00 C ATOM 1370 CG GLU A 84 3.488 4.298 -4.913 1.00 0.00 C ATOM 1371 CD GLU A 84 4.664 3.863 -4.061 1.00 0.00 C ATOM 1372 OE1 GLU A 84 5.177 2.746 -4.283 1.00 0.00 O ATOM 1373 OE2 GLU A 84 5.073 4.640 -3.173 1.00 0.00 O ATOM 0 H GLU A 84 1.064 3.717 -5.152 1.00 0.00 H new ATOM 0 HA GLU A 84 2.155 1.777 -6.895 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.278 3.046 -6.457 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.933 4.049 -6.963 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.630 5.334 -5.220 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.578 4.265 -4.313 1.00 0.00 H new ATOM 1380 N ASP A 85 2.790 1.421 -3.701 1.00 0.00 N ATOM 1381 CA ASP A 85 3.343 0.513 -2.704 1.00 0.00 C ATOM 1382 C ASP A 85 2.539 -0.782 -2.642 1.00 0.00 C ATOM 1383 O ASP A 85 3.072 -1.868 -2.872 1.00 0.00 O ATOM 1384 CB ASP A 85 3.361 1.182 -1.328 1.00 0.00 C ATOM 1385 CG ASP A 85 4.418 2.264 -1.225 1.00 0.00 C ATOM 1386 OD1 ASP A 85 5.427 2.180 -1.956 1.00 0.00 O ATOM 1387 OD2 ASP A 85 4.235 3.195 -0.413 1.00 0.00 O ATOM 0 H ASP A 85 2.253 2.197 -3.313 1.00 0.00 H new ATOM 0 HA ASP A 85 4.365 0.272 -2.996 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.381 1.614 -1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.542 0.427 -0.562 1.00 0.00 H new ATOM 1392 N PHE A 86 1.253 -0.660 -2.330 1.00 0.00 N ATOM 1393 CA PHE A 86 0.375 -1.821 -2.236 1.00 0.00 C ATOM 1394 C PHE A 86 0.652 -2.805 -3.369 1.00 0.00 C ATOM 1395 O PHE A 86 0.937 -3.979 -3.131 1.00 0.00 O ATOM 1396 CB PHE A 86 -1.090 -1.383 -2.273 1.00 0.00 C ATOM 1397 CG PHE A 86 -1.632 -0.988 -0.929 1.00 0.00 C ATOM 1398 CD1 PHE A 86 -2.093 -1.949 -0.044 1.00 0.00 C ATOM 1399 CD2 PHE A 86 -1.681 0.344 -0.551 1.00 0.00 C ATOM 1400 CE1 PHE A 86 -2.591 -1.589 1.194 1.00 0.00 C ATOM 1401 CE2 PHE A 86 -2.178 0.710 0.685 1.00 0.00 C ATOM 1402 CZ PHE A 86 -2.635 -0.258 1.559 1.00 0.00 C ATOM 0 H PHE A 86 0.795 0.231 -2.138 1.00 0.00 H new ATOM 0 HA PHE A 86 0.574 -2.320 -1.288 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.192 -0.542 -2.959 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.694 -2.197 -2.675 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.063 -2.991 -0.325 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.327 1.105 -1.230 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.945 -2.348 1.875 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.209 1.752 0.968 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.026 0.026 2.525 1.00 0.00 H new ATOM 1412 N VAL A 87 0.566 -2.317 -4.603 1.00 0.00 N ATOM 1413 CA VAL A 87 0.808 -3.152 -5.774 1.00 0.00 C ATOM 1414 C VAL A 87 1.951 -4.130 -5.525 1.00 0.00 C ATOM 1415 O VAL A 87 1.810 -5.333 -5.741 1.00 0.00 O ATOM 1416 CB VAL A 87 1.138 -2.299 -7.013 1.00 0.00 C ATOM 1417 CG1 VAL A 87 1.589 -3.184 -8.165 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -0.064 -1.458 -7.415 1.00 0.00 C ATOM 0 H VAL A 87 0.331 -1.348 -4.817 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.110 -3.710 -5.960 1.00 0.00 H new ATOM 0 HB VAL A 87 1.957 -1.625 -6.762 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.818 -2.564 -9.032 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.480 -3.739 -7.870 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.793 -3.884 -8.419 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.186 -0.861 -8.292 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.904 -2.112 -7.649 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.337 -0.797 -6.592 1.00 0.00 H new ATOM 1428 N MET A 88 3.083 -3.605 -5.068 1.00 0.00 N ATOM 1429 CA MET A 88 4.251 -4.433 -4.787 1.00 0.00 C ATOM 1430 C MET A 88 3.861 -5.666 -3.979 1.00 0.00 C ATOM 1431 O MET A 88 4.003 -6.796 -4.447 1.00 0.00 O ATOM 1432 CB MET A 88 5.305 -3.624 -4.029 1.00 0.00 C ATOM 1433 CG MET A 88 5.901 -2.487 -4.844 1.00 0.00 C ATOM 1434 SD MET A 88 6.425 -1.099 -3.819 1.00 0.00 S ATOM 1435 CE MET A 88 7.760 -0.432 -4.810 1.00 0.00 C ATOM 0 H MET A 88 3.217 -2.611 -4.884 1.00 0.00 H new ATOM 0 HA MET A 88 4.670 -4.762 -5.738 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.856 -3.215 -3.124 1.00 0.00 H new ATOM 0 HB3 MET A 88 6.106 -4.292 -3.713 1.00 0.00 H new ATOM 0 HG2 MET A 88 6.755 -2.859 -5.409 1.00 0.00 H new ATOM 0 HG3 MET A 88 5.165 -2.141 -5.570 1.00 0.00 H new ATOM 0 HE1 MET A 88 8.234 0.391 -4.275 1.00 0.00 H new ATOM 0 HE2 MET A 88 8.496 -1.213 -5.001 1.00 0.00 H new ATOM 0 HE3 MET A 88 7.363 -0.068 -5.757 1.00 0.00 H new ATOM 1445 N MET A 89 3.370 -5.442 -2.765 1.00 0.00 N ATOM 1446 CA MET A 89 2.960 -6.537 -1.893 1.00 0.00 C ATOM 1447 C MET A 89 2.340 -7.673 -2.701 1.00 0.00 C ATOM 1448 O MET A 89 2.870 -8.784 -2.736 1.00 0.00 O ATOM 1449 CB MET A 89 1.962 -6.037 -0.847 1.00 0.00 C ATOM 1450 CG MET A 89 1.326 -7.152 -0.032 1.00 0.00 C ATOM 1451 SD MET A 89 -0.317 -6.720 0.573 1.00 0.00 S ATOM 1452 CE MET A 89 -0.011 -5.090 1.250 1.00 0.00 C ATOM 0 H MET A 89 3.246 -4.513 -2.363 1.00 0.00 H new ATOM 0 HA MET A 89 3.847 -6.917 -1.387 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.470 -5.349 -0.172 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.177 -5.471 -1.348 1.00 0.00 H new ATOM 0 HG2 MET A 89 1.259 -8.051 -0.644 1.00 0.00 H new ATOM 0 HG3 MET A 89 1.970 -7.390 0.815 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.836 -4.807 1.904 1.00 0.00 H new ATOM 0 HE2 MET A 89 0.917 -5.102 1.821 1.00 0.00 H new ATOM 0 HE3 MET A 89 0.072 -4.368 0.437 1.00 0.00 H new ATOM 1462 N PHE A 90 1.217 -7.387 -3.350 1.00 0.00 N ATOM 1463 CA PHE A 90 0.525 -8.385 -4.157 1.00 0.00 C ATOM 1464 C PHE A 90 1.497 -9.096 -5.095 1.00 0.00 C ATOM 1465 O PHE A 90 1.380 -10.297 -5.333 1.00 0.00 O ATOM 1466 CB PHE A 90 -0.596 -7.730 -4.967 1.00 0.00 C ATOM 1467 CG PHE A 90 -1.563 -6.947 -4.127 1.00 0.00 C ATOM 1468 CD1 PHE A 90 -1.764 -7.270 -2.795 1.00 0.00 C ATOM 1469 CD2 PHE A 90 -2.272 -5.887 -4.670 1.00 0.00 C ATOM 1470 CE1 PHE A 90 -2.655 -6.551 -2.020 1.00 0.00 C ATOM 1471 CE2 PHE A 90 -3.164 -5.164 -3.899 1.00 0.00 C ATOM 1472 CZ PHE A 90 -3.355 -5.496 -2.572 1.00 0.00 C ATOM 0 H PHE A 90 0.766 -6.472 -3.333 1.00 0.00 H new ATOM 0 HA PHE A 90 0.092 -9.124 -3.483 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.156 -7.068 -5.712 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.141 -8.503 -5.509 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.219 -8.093 -2.357 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.126 -5.623 -5.707 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.804 -6.814 -0.983 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -3.711 -4.341 -4.334 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.050 -4.932 -1.967 1.00 0.00 H new ATOM 1482 N ASN A 91 2.456 -8.343 -5.624 1.00 0.00 N ATOM 1483 CA ASN A 91 3.449 -8.899 -6.536 1.00 0.00 C ATOM 1484 C ASN A 91 4.432 -9.796 -5.790 1.00 0.00 C ATOM 1485 O ASN A 91 4.892 -10.806 -6.320 1.00 0.00 O ATOM 1486 CB ASN A 91 4.205 -7.775 -7.247 1.00 0.00 C ATOM 1487 CG ASN A 91 3.272 -6.783 -7.914 1.00 0.00 C ATOM 1488 OD1 ASN A 91 2.070 -6.769 -7.650 1.00 0.00 O ATOM 1489 ND2 ASN A 91 3.824 -5.946 -8.785 1.00 0.00 N ATOM 0 H ASN A 91 2.566 -7.346 -5.437 1.00 0.00 H new ATOM 0 HA ASN A 91 2.926 -9.502 -7.278 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.833 -7.251 -6.527 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.870 -8.205 -7.996 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.247 -5.256 -9.266 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.825 -5.993 -8.973 1.00 0.00 H new ATOM 1496 N ASN A 92 4.748 -9.419 -4.555 1.00 0.00 N ATOM 1497 CA ASN A 92 5.676 -10.189 -3.735 1.00 0.00 C ATOM 1498 C ASN A 92 5.008 -11.449 -3.194 1.00 0.00 C ATOM 1499 O ASN A 92 5.680 -12.412 -2.826 1.00 0.00 O ATOM 1500 CB ASN A 92 6.195 -9.335 -2.576 1.00 0.00 C ATOM 1501 CG ASN A 92 6.944 -8.106 -3.054 1.00 0.00 C ATOM 1502 OD1 ASN A 92 6.370 -7.023 -3.172 1.00 0.00 O ATOM 1503 ND2 ASN A 92 8.232 -8.268 -3.331 1.00 0.00 N ATOM 0 H ASN A 92 4.375 -8.585 -4.101 1.00 0.00 H new ATOM 0 HA ASN A 92 6.516 -10.486 -4.363 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.356 -9.026 -1.952 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.853 -9.938 -1.950 1.00 0.00 H new ATOM 0 HD21 ASN A 92 8.787 -7.477 -3.656 1.00 0.00 H new ATOM 0 HD22 ASN A 92 8.667 -9.184 -3.219 1.00 0.00 H new ATOM 1510 N ALA A 93 3.680 -11.435 -3.149 1.00 0.00 N ATOM 1511 CA ALA A 93 2.920 -12.576 -2.655 1.00 0.00 C ATOM 1512 C ALA A 93 2.772 -13.645 -3.734 1.00 0.00 C ATOM 1513 O ALA A 93 3.084 -14.814 -3.509 1.00 0.00 O ATOM 1514 CB ALA A 93 1.552 -12.127 -2.163 1.00 0.00 C ATOM 0 H ALA A 93 3.108 -10.645 -3.449 1.00 0.00 H new ATOM 0 HA ALA A 93 3.468 -13.012 -1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.996 -12.990 -1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.675 -11.405 -1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.004 -11.664 -2.984 1.00 0.00 H new ATOM 1520 N CYS A 94 2.293 -13.235 -4.903 1.00 0.00 N ATOM 1521 CA CYS A 94 2.102 -14.159 -6.016 1.00 0.00 C ATOM 1522 C CYS A 94 3.437 -14.726 -6.488 1.00 0.00 C ATOM 1523 O CYS A 94 3.499 -15.831 -7.028 1.00 0.00 O ATOM 1524 CB CYS A 94 1.395 -13.454 -7.175 1.00 0.00 C ATOM 1525 SG CYS A 94 2.410 -12.213 -8.012 1.00 0.00 S ATOM 0 H CYS A 94 2.030 -12.270 -5.105 1.00 0.00 H new ATOM 0 HA CYS A 94 1.481 -14.984 -5.668 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.080 -14.201 -7.903 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.491 -12.975 -6.798 1.00 0.00 H new ATOM 0 HG CYS A 94 3.323 -11.777 -7.196 1.00 0.00 H new ATOM 1531 N THR A 95 4.505 -13.961 -6.281 1.00 0.00 N ATOM 1532 CA THR A 95 5.838 -14.385 -6.688 1.00 0.00 C ATOM 1533 C THR A 95 6.431 -15.370 -5.686 1.00 0.00 C ATOM 1534 O THR A 95 6.659 -16.537 -6.009 1.00 0.00 O ATOM 1535 CB THR A 95 6.791 -13.183 -6.832 1.00 0.00 C ATOM 1536 OG1 THR A 95 6.506 -12.476 -8.045 1.00 0.00 O ATOM 1537 CG2 THR A 95 8.242 -13.639 -6.833 1.00 0.00 C ATOM 0 H THR A 95 4.472 -13.045 -5.834 1.00 0.00 H new ATOM 0 HA THR A 95 5.732 -14.874 -7.657 1.00 0.00 H new ATOM 0 HB THR A 95 6.637 -12.520 -5.980 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.901 -11.729 -7.854 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.896 -12.773 -6.936 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.463 -14.151 -5.897 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.409 -14.320 -7.667 1.00 0.00 H new ATOM 1545 N TYR A 96 6.677 -14.895 -4.471 1.00 0.00 N ATOM 1546 CA TYR A 96 7.245 -15.734 -3.423 1.00 0.00 C ATOM 1547 C TYR A 96 6.359 -16.948 -3.156 1.00 0.00 C ATOM 1548 O TYR A 96 6.851 -18.043 -2.890 1.00 0.00 O ATOM 1549 CB TYR A 96 7.424 -14.928 -2.135 1.00 0.00 C ATOM 1550 CG TYR A 96 7.973 -15.739 -0.983 1.00 0.00 C ATOM 1551 CD1 TYR A 96 9.311 -16.110 -0.944 1.00 0.00 C ATOM 1552 CD2 TYR A 96 7.152 -16.135 0.066 1.00 0.00 C ATOM 1553 CE1 TYR A 96 9.816 -16.852 0.106 1.00 0.00 C ATOM 1554 CE2 TYR A 96 7.649 -16.876 1.121 1.00 0.00 C ATOM 1555 CZ TYR A 96 8.981 -17.232 1.136 1.00 0.00 C ATOM 1556 OH TYR A 96 9.481 -17.970 2.185 1.00 0.00 O ATOM 0 H TYR A 96 6.492 -13.933 -4.187 1.00 0.00 H new ATOM 0 HA TYR A 96 8.219 -16.085 -3.763 1.00 0.00 H new ATOM 0 HB2 TYR A 96 8.094 -14.091 -2.331 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.462 -14.505 -1.845 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.968 -15.813 -1.748 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.108 -15.859 0.056 1.00 0.00 H new ATOM 0 HE1 TYR A 96 10.859 -17.133 0.120 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.998 -17.175 1.929 1.00 0.00 H new ATOM 0 HH TYR A 96 8.764 -18.154 2.827 1.00 0.00 H new ATOM 1566 N ASN A 97 5.048 -16.742 -3.231 1.00 0.00 N ATOM 1567 CA ASN A 97 4.091 -17.819 -2.999 1.00 0.00 C ATOM 1568 C ASN A 97 3.487 -18.303 -4.313 1.00 0.00 C ATOM 1569 O ASN A 97 3.609 -17.642 -5.344 1.00 0.00 O ATOM 1570 CB ASN A 97 2.981 -17.347 -2.058 1.00 0.00 C ATOM 1571 CG ASN A 97 3.520 -16.590 -0.860 1.00 0.00 C ATOM 1572 OD1 ASN A 97 3.091 -15.343 -0.705 1.00 0.00 O flip ATOM 1573 ND2 ASN A 97 4.314 -17.121 -0.082 1.00 0.00 N flip ATOM 0 H ASN A 97 4.624 -15.841 -3.450 1.00 0.00 H new ATOM 0 HA ASN A 97 4.622 -18.651 -2.536 1.00 0.00 H new ATOM 0 HB2 ASN A 97 2.290 -16.707 -2.608 1.00 0.00 H new ATOM 0 HB3 ASN A 97 2.411 -18.209 -1.713 1.00 0.00 H new ATOM 0 HD21 ASN A 97 4.617 -18.082 -0.240 1.00 0.00 H new ATOM 0 HD22 ASN A 97 4.668 -16.600 0.720 1.00 0.00 H new ATOM 1580 N GLU A 98 2.836 -19.461 -4.268 1.00 0.00 N ATOM 1581 CA GLU A 98 2.213 -20.034 -5.456 1.00 0.00 C ATOM 1582 C GLU A 98 0.846 -19.406 -5.710 1.00 0.00 C ATOM 1583 O GLU A 98 0.114 -19.055 -4.784 1.00 0.00 O ATOM 1584 CB GLU A 98 2.071 -21.549 -5.303 1.00 0.00 C ATOM 1585 CG GLU A 98 0.975 -21.964 -4.336 1.00 0.00 C ATOM 1586 CD GLU A 98 1.486 -22.149 -2.920 1.00 0.00 C ATOM 1587 OE1 GLU A 98 1.527 -21.153 -2.169 1.00 0.00 O ATOM 1588 OE2 GLU A 98 1.845 -23.291 -2.564 1.00 0.00 O ATOM 0 H GLU A 98 2.726 -20.021 -3.422 1.00 0.00 H new ATOM 0 HA GLU A 98 2.855 -19.821 -6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.866 -21.987 -6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.020 -21.962 -4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.188 -21.210 -4.339 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.525 -22.895 -4.681 1.00 0.00 H new ATOM 1595 N PRO A 99 0.492 -19.260 -6.995 1.00 0.00 N ATOM 1596 CA PRO A 99 -0.789 -18.675 -7.402 1.00 0.00 C ATOM 1597 C PRO A 99 -1.971 -19.583 -7.078 1.00 0.00 C ATOM 1598 O PRO A 99 -3.120 -19.243 -7.355 1.00 0.00 O ATOM 1599 CB PRO A 99 -0.640 -18.512 -8.917 1.00 0.00 C ATOM 1600 CG PRO A 99 0.365 -19.539 -9.311 1.00 0.00 C ATOM 1601 CD PRO A 99 1.314 -19.656 -8.151 1.00 0.00 C ATOM 0 HA PRO A 99 -0.995 -17.742 -6.877 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -1.590 -18.671 -9.428 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -0.303 -17.508 -9.176 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -0.115 -20.495 -9.520 1.00 0.00 H new ATOM 0 HG3 PRO A 99 0.892 -19.242 -10.218 1.00 0.00 H new ATOM 0 HD2 PRO A 99 1.694 -20.672 -8.044 1.00 0.00 H new ATOM 0 HD3 PRO A 99 2.178 -19.003 -8.272 1.00 0.00 H new ATOM 1609 N GLU A 100 -1.679 -20.738 -6.489 1.00 0.00 N ATOM 1610 CA GLU A 100 -2.719 -21.695 -6.128 1.00 0.00 C ATOM 1611 C GLU A 100 -2.917 -21.737 -4.615 1.00 0.00 C ATOM 1612 O GLU A 100 -3.294 -22.767 -4.056 1.00 0.00 O ATOM 1613 CB GLU A 100 -2.362 -23.090 -6.645 1.00 0.00 C ATOM 1614 CG GLU A 100 -2.298 -23.178 -8.161 1.00 0.00 C ATOM 1615 CD GLU A 100 -3.655 -22.998 -8.814 1.00 0.00 C ATOM 1616 OE1 GLU A 100 -4.360 -24.012 -9.003 1.00 0.00 O ATOM 1617 OE2 GLU A 100 -4.011 -21.846 -9.135 1.00 0.00 O ATOM 0 H GLU A 100 -0.732 -21.034 -6.252 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.651 -21.372 -6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -1.398 -23.386 -6.231 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.099 -23.804 -6.279 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.614 -22.417 -8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.886 -24.146 -8.448 1.00 0.00 H new ATOM 1624 N SER A 101 -2.660 -20.611 -3.959 1.00 0.00 N ATOM 1625 CA SER A 101 -2.806 -20.519 -2.511 1.00 0.00 C ATOM 1626 C SER A 101 -3.772 -19.401 -2.131 1.00 0.00 C ATOM 1627 O SER A 101 -4.128 -18.564 -2.962 1.00 0.00 O ATOM 1628 CB SER A 101 -1.445 -20.277 -1.854 1.00 0.00 C ATOM 1629 OG SER A 101 -0.810 -21.502 -1.530 1.00 0.00 O ATOM 0 H SER A 101 -2.349 -19.749 -4.407 1.00 0.00 H new ATOM 0 HA SER A 101 -3.213 -21.464 -2.152 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.810 -19.701 -2.527 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.575 -19.681 -0.951 1.00 0.00 H new ATOM 0 HG SER A 101 0.117 -21.329 -1.264 1.00 0.00 H new ATOM 1635 N LEU A 102 -4.194 -19.394 -0.872 1.00 0.00 N ATOM 1636 CA LEU A 102 -5.119 -18.380 -0.380 1.00 0.00 C ATOM 1637 C LEU A 102 -4.505 -16.987 -0.480 1.00 0.00 C ATOM 1638 O LEU A 102 -5.057 -16.099 -1.130 1.00 0.00 O ATOM 1639 CB LEU A 102 -5.508 -18.675 1.070 1.00 0.00 C ATOM 1640 CG LEU A 102 -6.505 -17.707 1.708 1.00 0.00 C ATOM 1641 CD1 LEU A 102 -7.329 -18.414 2.773 1.00 0.00 C ATOM 1642 CD2 LEU A 102 -5.778 -16.509 2.302 1.00 0.00 C ATOM 0 H LEU A 102 -3.910 -20.080 -0.173 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.013 -18.408 -1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -5.928 -19.680 1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.601 -18.681 1.674 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.182 -17.349 0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.033 -17.709 3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.878 -19.239 2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.667 -18.801 3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.502 -15.830 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.078 -16.850 3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.232 -15.988 1.515 1.00 0.00 H new ATOM 1654 N ILE A 103 -3.358 -16.805 0.166 1.00 0.00 N ATOM 1655 CA ILE A 103 -2.666 -15.522 0.146 1.00 0.00 C ATOM 1656 C ILE A 103 -2.707 -14.897 -1.244 1.00 0.00 C ATOM 1657 O ILE A 103 -2.865 -13.684 -1.386 1.00 0.00 O ATOM 1658 CB ILE A 103 -1.198 -15.667 0.590 1.00 0.00 C ATOM 1659 CG1 ILE A 103 -0.490 -14.312 0.532 1.00 0.00 C ATOM 1660 CG2 ILE A 103 -0.480 -16.685 -0.283 1.00 0.00 C ATOM 1661 CD1 ILE A 103 0.950 -14.363 0.992 1.00 0.00 C ATOM 0 H ILE A 103 -2.889 -17.529 0.709 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.186 -14.872 0.849 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.177 -16.022 1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.523 -13.937 -0.491 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.036 -13.599 1.150 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.556 -16.777 0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.975 -17.652 -0.196 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.506 -16.356 -1.322 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.389 -13.368 0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.990 -14.707 2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.510 -15.051 0.358 1.00 0.00 H new ATOM 1673 N TYR A 104 -2.565 -15.732 -2.266 1.00 0.00 N ATOM 1674 CA TYR A 104 -2.585 -15.262 -3.646 1.00 0.00 C ATOM 1675 C TYR A 104 -3.944 -14.664 -3.999 1.00 0.00 C ATOM 1676 O TYR A 104 -4.082 -13.450 -4.146 1.00 0.00 O ATOM 1677 CB TYR A 104 -2.256 -16.409 -4.603 1.00 0.00 C ATOM 1678 CG TYR A 104 -2.439 -16.053 -6.061 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -1.645 -15.085 -6.665 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -3.407 -16.682 -6.835 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -1.809 -14.756 -7.997 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -3.577 -16.360 -8.167 1.00 0.00 C ATOM 1683 CZ TYR A 104 -2.776 -15.397 -8.744 1.00 0.00 C ATOM 1684 OH TYR A 104 -2.943 -15.072 -10.070 1.00 0.00 O ATOM 0 H TYR A 104 -2.435 -16.739 -2.165 1.00 0.00 H new ATOM 0 HA TYR A 104 -1.828 -14.484 -3.748 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.224 -16.722 -4.441 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.889 -17.263 -4.364 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -0.887 -14.581 -6.083 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -4.037 -17.436 -6.387 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -1.184 -14.001 -8.451 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.333 -16.860 -8.754 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.664 -15.615 -10.452 1.00 0.00 H new ATOM 1694 N LYS A 105 -4.945 -15.527 -4.132 1.00 0.00 N ATOM 1695 CA LYS A 105 -6.295 -15.087 -4.465 1.00 0.00 C ATOM 1696 C LYS A 105 -6.676 -13.846 -3.664 1.00 0.00 C ATOM 1697 O LYS A 105 -7.485 -13.032 -4.110 1.00 0.00 O ATOM 1698 CB LYS A 105 -7.300 -16.209 -4.196 1.00 0.00 C ATOM 1699 CG LYS A 105 -7.438 -17.191 -5.346 1.00 0.00 C ATOM 1700 CD LYS A 105 -7.846 -18.570 -4.856 1.00 0.00 C ATOM 1701 CE LYS A 105 -9.346 -18.657 -4.621 1.00 0.00 C ATOM 1702 NZ LYS A 105 -9.832 -20.064 -4.654 1.00 0.00 N ATOM 0 H LYS A 105 -4.847 -16.535 -4.014 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.317 -14.834 -5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.995 -16.751 -3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.275 -15.769 -3.986 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -8.180 -16.821 -6.054 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.492 -17.260 -5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.547 -19.320 -5.588 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.318 -18.799 -3.931 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -9.589 -18.211 -3.656 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -9.867 -18.075 -5.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.859 -20.081 -4.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.623 -20.482 -5.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.354 -20.614 -3.912 1.00 0.00 H new ATOM 1716 N ASP A 106 -6.088 -13.708 -2.481 1.00 0.00 N ATOM 1717 CA ASP A 106 -6.365 -12.564 -1.619 1.00 0.00 C ATOM 1718 C ASP A 106 -5.830 -11.276 -2.237 1.00 0.00 C ATOM 1719 O ASP A 106 -6.561 -10.298 -2.387 1.00 0.00 O ATOM 1720 CB ASP A 106 -5.744 -12.778 -0.238 1.00 0.00 C ATOM 1721 CG ASP A 106 -6.440 -13.872 0.547 1.00 0.00 C ATOM 1722 OD1 ASP A 106 -6.926 -14.836 -0.082 1.00 0.00 O ATOM 1723 OD2 ASP A 106 -6.498 -13.766 1.790 1.00 0.00 O ATOM 0 H ASP A 106 -5.417 -14.373 -2.097 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.446 -12.473 -1.513 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.690 -13.031 -0.352 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -5.789 -11.846 0.326 1.00 0.00 H new ATOM 1728 N ALA A 107 -4.549 -11.283 -2.592 1.00 0.00 N ATOM 1729 CA ALA A 107 -3.917 -10.116 -3.194 1.00 0.00 C ATOM 1730 C ALA A 107 -4.756 -9.568 -4.343 1.00 0.00 C ATOM 1731 O ALA A 107 -4.942 -8.357 -4.467 1.00 0.00 O ATOM 1732 CB ALA A 107 -2.518 -10.466 -3.680 1.00 0.00 C ATOM 0 H ALA A 107 -3.929 -12.084 -2.473 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.842 -9.340 -2.432 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.057 -9.585 -4.128 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.914 -10.803 -2.838 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.579 -11.261 -4.423 1.00 0.00 H new ATOM 1738 N LEU A 108 -5.261 -10.467 -5.182 1.00 0.00 N ATOM 1739 CA LEU A 108 -6.081 -10.073 -6.322 1.00 0.00 C ATOM 1740 C LEU A 108 -7.261 -9.216 -5.874 1.00 0.00 C ATOM 1741 O LEU A 108 -7.363 -8.044 -6.237 1.00 0.00 O ATOM 1742 CB LEU A 108 -6.588 -11.312 -7.062 1.00 0.00 C ATOM 1743 CG LEU A 108 -5.544 -12.088 -7.865 1.00 0.00 C ATOM 1744 CD1 LEU A 108 -4.681 -12.934 -6.940 1.00 0.00 C ATOM 1745 CD2 LEU A 108 -6.217 -12.960 -8.914 1.00 0.00 C ATOM 0 H LEU A 108 -5.117 -11.473 -5.094 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.462 -9.482 -6.997 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -7.033 -11.989 -6.333 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.384 -11.005 -7.740 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.901 -11.372 -8.376 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.943 -13.480 -7.529 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.170 -12.287 -6.227 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -5.311 -13.642 -6.401 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -5.458 -13.505 -9.476 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -6.884 -13.669 -8.424 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.791 -12.332 -9.595 1.00 0.00 H new ATOM 1757 N VAL A 109 -8.149 -9.808 -5.082 1.00 0.00 N ATOM 1758 CA VAL A 109 -9.320 -9.098 -4.581 1.00 0.00 C ATOM 1759 C VAL A 109 -8.948 -7.705 -4.087 1.00 0.00 C ATOM 1760 O VAL A 109 -9.474 -6.701 -4.570 1.00 0.00 O ATOM 1761 CB VAL A 109 -9.999 -9.873 -3.436 1.00 0.00 C ATOM 1762 CG1 VAL A 109 -11.182 -9.089 -2.889 1.00 0.00 C ATOM 1763 CG2 VAL A 109 -10.435 -11.251 -3.911 1.00 0.00 C ATOM 0 H VAL A 109 -8.080 -10.778 -4.773 1.00 0.00 H new ATOM 0 HA VAL A 109 -10.018 -9.010 -5.414 1.00 0.00 H new ATOM 0 HB VAL A 109 -9.277 -10.004 -2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.649 -9.652 -2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -10.837 -8.127 -2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.909 -8.925 -3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -10.913 -11.785 -3.089 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -11.141 -11.145 -4.735 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -9.564 -11.812 -4.250 1.00 0.00 H new ATOM 1773 N LEU A 110 -8.038 -7.649 -3.121 1.00 0.00 N ATOM 1774 CA LEU A 110 -7.593 -6.378 -2.560 1.00 0.00 C ATOM 1775 C LEU A 110 -7.273 -5.377 -3.666 1.00 0.00 C ATOM 1776 O LEU A 110 -7.695 -4.221 -3.613 1.00 0.00 O ATOM 1777 CB LEU A 110 -6.363 -6.589 -1.676 1.00 0.00 C ATOM 1778 CG LEU A 110 -6.589 -7.388 -0.392 1.00 0.00 C ATOM 1779 CD1 LEU A 110 -5.259 -7.801 0.220 1.00 0.00 C ATOM 1780 CD2 LEU A 110 -7.407 -6.577 0.603 1.00 0.00 C ATOM 0 H LEU A 110 -7.593 -8.470 -2.710 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.403 -5.974 -1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.599 -7.096 -2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.962 -5.612 -1.406 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.147 -8.291 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.439 -8.369 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.709 -8.419 -0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.675 -6.911 0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.558 -7.161 1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.875 -5.657 0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.374 -6.331 0.164 1.00 0.00 H new ATOM 1792 N HIS A 111 -6.526 -5.829 -4.668 1.00 0.00 N ATOM 1793 CA HIS A 111 -6.151 -4.974 -5.789 1.00 0.00 C ATOM 1794 C HIS A 111 -7.363 -4.215 -6.321 1.00 0.00 C ATOM 1795 O HIS A 111 -7.364 -2.985 -6.375 1.00 0.00 O ATOM 1796 CB HIS A 111 -5.526 -5.808 -6.907 1.00 0.00 C ATOM 1797 CG HIS A 111 -4.528 -5.053 -7.731 1.00 0.00 C ATOM 1798 ND1 HIS A 111 -3.819 -5.626 -8.766 1.00 0.00 N ATOM 1799 CD2 HIS A 111 -4.124 -3.763 -7.668 1.00 0.00 C ATOM 1800 CE1 HIS A 111 -3.021 -4.721 -9.303 1.00 0.00 C ATOM 1801 NE2 HIS A 111 -3.187 -3.582 -8.656 1.00 0.00 N ATOM 0 H HIS A 111 -6.168 -6.782 -4.727 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.418 -4.250 -5.433 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -5.039 -6.680 -6.470 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -6.317 -6.178 -7.559 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -4.473 -3.015 -6.971 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -2.347 -4.885 -10.131 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -2.699 -2.709 -8.857 1.00 0.00 H new ATOM 1810 N LYS A 112 -8.393 -4.956 -6.715 1.00 0.00 N ATOM 1811 CA LYS A 112 -9.612 -4.354 -7.243 1.00 0.00 C ATOM 1812 C LYS A 112 -10.169 -3.314 -6.275 1.00 0.00 C ATOM 1813 O LYS A 112 -10.354 -2.152 -6.636 1.00 0.00 O ATOM 1814 CB LYS A 112 -10.664 -5.432 -7.510 1.00 0.00 C ATOM 1815 CG LYS A 112 -10.553 -6.061 -8.889 1.00 0.00 C ATOM 1816 CD LYS A 112 -9.302 -6.914 -9.014 1.00 0.00 C ATOM 1817 CE LYS A 112 -9.468 -7.995 -10.071 1.00 0.00 C ATOM 1818 NZ LYS A 112 -8.462 -9.082 -9.915 1.00 0.00 N ATOM 0 H LYS A 112 -8.408 -5.975 -6.679 1.00 0.00 H new ATOM 0 HA LYS A 112 -9.365 -3.857 -8.181 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -10.572 -6.213 -6.755 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -11.656 -4.995 -7.398 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -11.433 -6.674 -9.082 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -10.538 -5.278 -9.647 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.453 -6.281 -9.270 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.077 -7.375 -8.052 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.471 -8.416 -10.005 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -9.373 -7.552 -11.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.608 -9.799 -10.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.505 -8.685 -10.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.569 -9.522 -8.979 1.00 0.00 H new ATOM 1832 N VAL A 113 -10.432 -3.740 -5.044 1.00 0.00 N ATOM 1833 CA VAL A 113 -10.966 -2.845 -4.024 1.00 0.00 C ATOM 1834 C VAL A 113 -10.194 -1.531 -3.987 1.00 0.00 C ATOM 1835 O VAL A 113 -10.786 -0.452 -3.949 1.00 0.00 O ATOM 1836 CB VAL A 113 -10.918 -3.495 -2.628 1.00 0.00 C ATOM 1837 CG1 VAL A 113 -11.469 -2.543 -1.577 1.00 0.00 C ATOM 1838 CG2 VAL A 113 -11.687 -4.808 -2.625 1.00 0.00 C ATOM 0 H VAL A 113 -10.284 -4.699 -4.729 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.004 -2.645 -4.289 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.878 -3.709 -2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.427 -3.019 -0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.872 -1.631 -1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.503 -2.296 -1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.643 -5.253 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.727 -4.621 -2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -11.243 -5.491 -3.349 1.00 0.00 H new ATOM 1848 N LEU A 114 -8.869 -1.629 -4.000 1.00 0.00 N ATOM 1849 CA LEU A 114 -8.014 -0.447 -3.969 1.00 0.00 C ATOM 1850 C LEU A 114 -8.218 0.405 -5.218 1.00 0.00 C ATOM 1851 O LEU A 114 -8.073 1.627 -5.178 1.00 0.00 O ATOM 1852 CB LEU A 114 -6.545 -0.859 -3.852 1.00 0.00 C ATOM 1853 CG LEU A 114 -5.527 0.282 -3.845 1.00 0.00 C ATOM 1854 CD1 LEU A 114 -5.655 1.103 -2.571 1.00 0.00 C ATOM 1855 CD2 LEU A 114 -4.114 -0.264 -3.990 1.00 0.00 C ATOM 0 H LEU A 114 -8.363 -2.514 -4.032 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.288 0.148 -3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -6.422 -1.435 -2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -6.308 -1.526 -4.681 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.733 0.933 -4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.923 1.910 -2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.658 1.524 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.476 0.464 -1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.402 0.562 -3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.897 -0.937 -3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.029 -0.808 -4.931 1.00 0.00 H new ATOM 1867 N LEU A 115 -8.555 -0.248 -6.324 1.00 0.00 N ATOM 1868 CA LEU A 115 -8.781 0.450 -7.585 1.00 0.00 C ATOM 1869 C LEU A 115 -10.151 1.121 -7.598 1.00 0.00 C ATOM 1870 O LEU A 115 -10.399 2.031 -8.388 1.00 0.00 O ATOM 1871 CB LEU A 115 -8.667 -0.526 -8.758 1.00 0.00 C ATOM 1872 CG LEU A 115 -7.271 -1.084 -9.033 1.00 0.00 C ATOM 1873 CD1 LEU A 115 -7.329 -2.166 -10.101 1.00 0.00 C ATOM 1874 CD2 LEU A 115 -6.324 0.031 -9.453 1.00 0.00 C ATOM 0 H LEU A 115 -8.678 -1.259 -6.374 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.018 1.222 -7.687 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.341 -1.363 -8.575 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.019 -0.023 -9.659 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.891 -1.529 -8.113 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.326 -2.551 -10.283 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.973 -2.977 -9.762 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.729 -1.746 -11.024 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -5.335 -0.385 -9.645 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.700 0.506 -10.359 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.258 0.772 -8.656 1.00 0.00 H new ATOM 1886 N GLU A 116 -11.036 0.666 -6.716 1.00 0.00 N ATOM 1887 CA GLU A 116 -12.380 1.223 -6.627 1.00 0.00 C ATOM 1888 C GLU A 116 -12.405 2.436 -5.700 1.00 0.00 C ATOM 1889 O GLU A 116 -13.156 3.387 -5.922 1.00 0.00 O ATOM 1890 CB GLU A 116 -13.363 0.164 -6.125 1.00 0.00 C ATOM 1891 CG GLU A 116 -13.788 -0.828 -7.195 1.00 0.00 C ATOM 1892 CD GLU A 116 -14.853 -0.270 -8.118 1.00 0.00 C ATOM 1893 OE1 GLU A 116 -15.801 0.368 -7.612 1.00 0.00 O ATOM 1894 OE2 GLU A 116 -14.740 -0.470 -9.345 1.00 0.00 O ATOM 0 H GLU A 116 -10.846 -0.086 -6.054 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.680 1.543 -7.625 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -12.907 -0.380 -5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -14.249 0.661 -5.730 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.917 -1.117 -7.784 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -14.164 -1.733 -6.717 1.00 0.00 H new ATOM 1901 N THR A 117 -11.579 2.395 -4.660 1.00 0.00 N ATOM 1902 CA THR A 117 -11.506 3.488 -3.698 1.00 0.00 C ATOM 1903 C THR A 117 -11.226 4.815 -4.394 1.00 0.00 C ATOM 1904 O THR A 117 -11.799 5.846 -4.040 1.00 0.00 O ATOM 1905 CB THR A 117 -10.415 3.235 -2.641 1.00 0.00 C ATOM 1906 OG1 THR A 117 -9.258 2.661 -3.260 1.00 0.00 O ATOM 1907 CG2 THR A 117 -10.924 2.309 -1.548 1.00 0.00 C ATOM 0 H THR A 117 -10.951 1.616 -4.462 1.00 0.00 H new ATOM 0 HA THR A 117 -12.476 3.538 -3.203 1.00 0.00 H new ATOM 0 HB THR A 117 -10.149 4.191 -2.189 1.00 0.00 H new ATOM 0 HG1 THR A 117 -9.376 2.656 -4.233 1.00 0.00 H new ATOM 0 HG21 THR A 117 -10.136 2.145 -0.813 1.00 0.00 H new ATOM 0 HG22 THR A 117 -11.787 2.762 -1.060 1.00 0.00 H new ATOM 0 HG23 THR A 117 -11.215 1.354 -1.986 1.00 0.00 H new ATOM 1915 N ARG A 118 -10.343 4.783 -5.387 1.00 0.00 N ATOM 1916 CA ARG A 118 -9.987 5.984 -6.132 1.00 0.00 C ATOM 1917 C ARG A 118 -11.221 6.836 -6.411 1.00 0.00 C ATOM 1918 O ARG A 118 -11.279 8.006 -6.030 1.00 0.00 O ATOM 1919 CB ARG A 118 -9.304 5.609 -7.449 1.00 0.00 C ATOM 1920 CG ARG A 118 -7.890 5.079 -7.273 1.00 0.00 C ATOM 1921 CD ARG A 118 -6.865 6.201 -7.320 1.00 0.00 C ATOM 1922 NE ARG A 118 -5.548 5.722 -7.731 1.00 0.00 N ATOM 1923 CZ ARG A 118 -5.289 5.228 -8.937 1.00 0.00 C ATOM 1924 NH1 ARG A 118 -6.251 5.149 -9.845 1.00 0.00 N ATOM 1925 NH2 ARG A 118 -4.065 4.812 -9.235 1.00 0.00 N ATOM 0 H ARG A 118 -9.861 3.938 -5.694 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.294 6.567 -5.524 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -9.905 4.855 -7.958 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.276 6.485 -8.097 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -7.813 4.554 -6.321 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -7.672 4.353 -8.056 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.203 6.972 -8.013 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -6.791 6.666 -6.337 1.00 0.00 H new ATOM 0 HE ARG A 118 -4.785 5.769 -7.055 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -7.193 5.468 -9.619 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -6.049 4.769 -10.770 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -3.322 4.871 -8.538 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -3.867 4.433 -10.161 1.00 0.00 H new ATOM 1939 N ARG A 119 -12.205 6.243 -7.079 1.00 0.00 N ATOM 1940 CA ARG A 119 -13.437 6.948 -7.411 1.00 0.00 C ATOM 1941 C ARG A 119 -14.271 7.204 -6.159 1.00 0.00 C ATOM 1942 O ARG A 119 -14.538 6.287 -5.381 1.00 0.00 O ATOM 1943 CB ARG A 119 -14.253 6.144 -8.425 1.00 0.00 C ATOM 1944 CG ARG A 119 -13.704 6.215 -9.841 1.00 0.00 C ATOM 1945 CD ARG A 119 -12.700 5.105 -10.105 1.00 0.00 C ATOM 1946 NE ARG A 119 -11.903 5.361 -11.302 1.00 0.00 N ATOM 1947 CZ ARG A 119 -12.387 5.288 -12.537 1.00 0.00 C ATOM 1948 NH1 ARG A 119 -13.658 4.969 -12.736 1.00 0.00 N ATOM 1949 NH2 ARG A 119 -11.598 5.536 -13.575 1.00 0.00 N ATOM 0 H ARG A 119 -12.173 5.276 -7.401 1.00 0.00 H new ATOM 0 HA ARG A 119 -13.169 7.909 -7.851 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -14.285 5.101 -8.108 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -15.280 6.509 -8.424 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -14.525 6.142 -10.555 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -13.228 7.183 -10.000 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -12.039 5.002 -9.245 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -13.228 4.158 -10.217 1.00 0.00 H new ATOM 0 HE ARG A 119 -10.921 5.609 -11.183 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -14.267 4.779 -11.940 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -14.027 4.914 -13.685 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -10.620 5.783 -13.425 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -11.970 5.480 -14.523 1.00 0.00 H new ATOM 1963 N ASP A 120 -14.680 8.454 -5.971 1.00 0.00 N ATOM 1964 CA ASP A 120 -15.484 8.830 -4.814 1.00 0.00 C ATOM 1965 C ASP A 120 -16.728 7.952 -4.709 1.00 0.00 C ATOM 1966 O ASP A 120 -17.415 7.711 -5.702 1.00 0.00 O ATOM 1967 CB ASP A 120 -15.890 10.302 -4.905 1.00 0.00 C ATOM 1968 CG ASP A 120 -17.034 10.646 -3.972 1.00 0.00 C ATOM 1969 OD1 ASP A 120 -16.780 10.820 -2.762 1.00 0.00 O ATOM 1970 OD2 ASP A 120 -18.183 10.740 -4.452 1.00 0.00 O ATOM 0 H ASP A 120 -14.468 9.224 -6.605 1.00 0.00 H new ATOM 0 HA ASP A 120 -14.880 8.683 -3.919 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -15.030 10.928 -4.667 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -16.179 10.533 -5.930 1.00 0.00 H new TER 1975 ASP A 120