USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 954 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 66 TYR OH : rot 180:sc= -0.924 USER MOD Set 1.2: A 118 THR OG1 : rot 91:sc= 1.29 USER MOD Set 2.1: A 79 TYR OH : rot -127:sc= -2.57! USER MOD Set 2.2: A 104 LYS NZ :NH3+ 179:sc= 1.22 (180deg=0.0571) USER MOD Set 3.1: A 63 LYS NZ :NH3+ 142:sc= 1.81 (180deg=-0.00752) USER MOD Set 3.2: A 73 SER OG : rot 73:sc= 2.17 USER MOD Set 4.1: A 61 SER OG : rot -75:sc= 2.17 USER MOD Set 4.2: A 65 LYS NZ :NH3+ -111:sc= 1.74 (180deg=-0.767) USER MOD Set 5.1: A 32 SER OG : rot 180:sc= 0.146 USER MOD Set 5.2: A 38 ASN : amide:sc= 2 K(o=4.3,f=-2.6) USER MOD Set 5.3: A 42 SER OG : rot -132:sc= 1.23 USER MOD Set 5.4: A 45 ASN : amide:sc= 0.91 K(o=4.3,f=-1.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -143:sc= 0.078 (180deg=0) USER MOD Single : A 4 TYR OH : rot -93:sc= 1.31 USER MOD Single : A 5 SER OG : rot 180:sc= -0.605 USER MOD Single : A 7 LYS NZ :NH3+ -133:sc= 1.3 (180deg=-1.4!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 13 GLN :FLIP amide:sc= -0.0991 F(o=-1.1,f=-0.099) USER MOD Single : A 15 LYS NZ :NH3+ 168:sc= 1.14 (180deg=0.487) USER MOD Single : A 18 CYS SG : rot 144:sc= 0.696 USER MOD Single : A 20 SER OG : rot 94:sc= 1.06 USER MOD Single : A 22 TYR OH : rot 180:sc= -0.143 USER MOD Single : A 28 THR OG1 : rot 73:sc= -1.69 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -2.32 K(o=-2.3,f=-3.5!) USER MOD Single : A 41 THR OG1 : rot 84:sc= 1.34 USER MOD Single : A 47 GLN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 49 ASN : amide:sc= 0.214 X(o=0.21,f=-0.026) USER MOD Single : A 54 HIS : no HE2:sc= -0.183 K(o=-0.18,f=-1.9) USER MOD Single : A 57 SER OG : rot 41:sc= 0.112 USER MOD Single : A 60 MET CE :methyl -123:sc= -2.06 (180deg=-5.06!) USER MOD Single : A 83 THR OG1 : rot 72:sc= 1.51 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 87:sc= 1.23 USER MOD Single : A 88 SER OG : rot 68:sc= 1.16 USER MOD Single : A 89 SER OG : rot 76:sc= 1.3 USER MOD Single : A 90 TYR OH : rot -19:sc= 1.26 USER MOD Single : A 93 ASN : amide:sc= -0.0175 X(o=-0.017,f=-0.013) USER MOD Single : A 98 GLN : amide:sc= -0.501 X(o=-0.5,f=-0.5) USER MOD Single : A 101 GLN : amide:sc= -0.301 K(o=-0.3,f=-1.4!) USER MOD Single : A 102 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.119) USER MOD Single : A 103 THR OG1 : rot 155:sc= 1.05 USER MOD Single : A 112 SER OG : rot 94:sc= 1.82 USER MOD Single : A 115 TYR OH : rot 128:sc= 1.04 USER MOD Single : A 117 SER OG : rot 95:sc= 1.22 USER MOD Single : A 120 MET CE :methyl -163:sc= -4.49! (180deg=-5.08!) USER MOD Single : A 121 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0129) USER MOD Single : A 122 THR OG1 : rot -28:sc= 0.658 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.789 -6.931 4.544 1.00 0.00 N ATOM 2 CA MET A 1 -21.188 -8.285 5.015 1.00 0.00 C ATOM 3 C MET A 1 -19.980 -9.245 4.968 1.00 0.00 C ATOM 4 O MET A 1 -18.831 -8.788 4.962 1.00 0.00 O ATOM 5 CB MET A 1 -22.390 -8.809 4.173 1.00 0.00 C ATOM 6 CG MET A 1 -23.484 -9.496 4.997 1.00 0.00 C ATOM 7 SD MET A 1 -25.107 -8.732 4.801 1.00 0.00 S ATOM 8 CE MET A 1 -26.173 -10.066 5.344 1.00 0.00 C ATOM 0 H1 MET A 1 -21.285 -6.209 5.104 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.762 -6.812 4.658 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.040 -6.824 3.540 1.00 0.00 H new ATOM 0 HA MET A 1 -21.515 -8.229 6.053 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.831 -7.973 3.631 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.018 -9.511 3.427 1.00 0.00 H new ATOM 0 HG2 MET A 1 -23.545 -10.544 4.705 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.204 -9.474 6.050 1.00 0.00 H new ATOM 0 HE1 MET A 1 -27.214 -9.748 5.281 1.00 0.00 H new ATOM 0 HE2 MET A 1 -26.020 -10.937 4.706 1.00 0.00 H new ATOM 0 HE3 MET A 1 -25.934 -10.326 6.375 1.00 0.00 H new ATOM 18 N ASP A 2 -20.238 -10.561 4.965 1.00 0.00 N ATOM 19 CA ASP A 2 -19.175 -11.583 4.963 1.00 0.00 C ATOM 20 C ASP A 2 -18.250 -11.442 3.760 1.00 0.00 C ATOM 21 O ASP A 2 -18.718 -11.317 2.620 1.00 0.00 O ATOM 22 CB ASP A 2 -19.755 -13.023 5.026 1.00 0.00 C ATOM 23 CG ASP A 2 -20.880 -13.280 4.052 1.00 0.00 C ATOM 24 OD1 ASP A 2 -21.900 -12.571 4.114 1.00 0.00 O ATOM 25 OD2 ASP A 2 -20.772 -14.199 3.248 1.00 0.00 O ATOM 0 H ASP A 2 -21.182 -10.947 4.964 1.00 0.00 H new ATOM 0 HA ASP A 2 -18.587 -11.413 5.865 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -18.952 -13.735 4.833 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -20.114 -13.214 6.037 1.00 0.00 H new ATOM 30 N GLU A 3 -16.939 -11.494 4.023 1.00 0.00 N ATOM 31 CA GLU A 3 -15.917 -11.402 2.982 1.00 0.00 C ATOM 32 C GLU A 3 -15.468 -12.797 2.553 1.00 0.00 C ATOM 33 O GLU A 3 -15.169 -13.650 3.400 1.00 0.00 O ATOM 34 CB GLU A 3 -14.721 -10.586 3.483 1.00 0.00 C ATOM 35 CG GLU A 3 -13.591 -10.436 2.472 1.00 0.00 C ATOM 36 CD GLU A 3 -13.989 -9.746 1.206 1.00 0.00 C ATOM 37 OE1 GLU A 3 -14.137 -8.520 1.220 1.00 0.00 O ATOM 38 OE2 GLU A 3 -14.147 -10.426 0.186 1.00 0.00 O ATOM 0 H GLU A 3 -16.560 -11.601 4.964 1.00 0.00 H new ATOM 0 HA GLU A 3 -16.345 -10.896 2.117 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.069 -9.594 3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.326 -11.058 4.383 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.776 -9.880 2.935 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.204 -11.425 2.227 1.00 0.00 H new ATOM 45 N TYR A 4 -15.425 -13.020 1.251 1.00 0.00 N ATOM 46 CA TYR A 4 -15.033 -14.305 0.675 1.00 0.00 C ATOM 47 C TYR A 4 -13.559 -14.333 0.294 1.00 0.00 C ATOM 48 O TYR A 4 -12.962 -15.414 0.194 1.00 0.00 O ATOM 49 CB TYR A 4 -15.892 -14.599 -0.560 1.00 0.00 C ATOM 50 CG TYR A 4 -17.373 -14.600 -0.263 1.00 0.00 C ATOM 51 CD1 TYR A 4 -18.080 -13.409 -0.195 1.00 0.00 C ATOM 52 CD2 TYR A 4 -18.052 -15.777 -0.007 1.00 0.00 C ATOM 53 CE1 TYR A 4 -19.413 -13.390 0.113 1.00 0.00 C ATOM 54 CE2 TYR A 4 -19.391 -15.764 0.313 1.00 0.00 C ATOM 55 CZ TYR A 4 -20.064 -14.567 0.370 1.00 0.00 C ATOM 56 OH TYR A 4 -21.385 -14.547 0.719 1.00 0.00 O ATOM 0 H TYR A 4 -15.662 -12.313 0.555 1.00 0.00 H new ATOM 0 HA TYR A 4 -15.193 -15.071 1.433 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -15.682 -13.854 -1.328 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -15.609 -15.568 -0.970 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -17.568 -12.478 -0.389 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -17.525 -16.718 -0.059 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -19.948 -12.453 0.153 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -19.909 -16.689 0.518 1.00 0.00 H new ATOM 0 HH TYR A 4 -21.465 -14.533 1.696 1.00 0.00 H new ATOM 66 N SER A 5 -12.985 -13.155 0.038 1.00 0.00 N ATOM 67 CA SER A 5 -11.614 -13.017 -0.376 1.00 0.00 C ATOM 68 C SER A 5 -11.235 -13.996 -1.500 1.00 0.00 C ATOM 69 O SER A 5 -10.398 -14.887 -1.308 1.00 0.00 O ATOM 70 CB SER A 5 -10.659 -13.138 0.812 1.00 0.00 C ATOM 71 OG SER A 5 -11.170 -12.488 1.993 1.00 0.00 O ATOM 0 H SER A 5 -13.479 -12.266 0.118 1.00 0.00 H new ATOM 0 HA SER A 5 -11.513 -12.013 -0.789 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.482 -14.192 1.028 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.696 -12.701 0.547 1.00 0.00 H new ATOM 0 HG SER A 5 -10.529 -12.592 2.727 1.00 0.00 H new ATOM 77 N PRO A 6 -11.820 -13.838 -2.706 1.00 0.00 N ATOM 78 CA PRO A 6 -11.443 -14.667 -3.848 1.00 0.00 C ATOM 79 C PRO A 6 -9.990 -14.350 -4.218 1.00 0.00 C ATOM 80 O PRO A 6 -9.631 -13.177 -4.299 1.00 0.00 O ATOM 81 CB PRO A 6 -12.396 -14.215 -4.972 1.00 0.00 C ATOM 82 CG PRO A 6 -13.459 -13.397 -4.297 1.00 0.00 C ATOM 83 CD PRO A 6 -12.825 -12.819 -3.067 1.00 0.00 C ATOM 0 HA PRO A 6 -11.515 -15.738 -3.659 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.866 -13.627 -5.722 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.829 -15.073 -5.487 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.820 -12.608 -4.956 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -14.319 -14.014 -4.038 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.366 -11.851 -3.266 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.553 -12.669 -2.270 1.00 0.00 H new ATOM 91 N LYS A 7 -9.147 -15.375 -4.359 1.00 0.00 N ATOM 92 CA LYS A 7 -7.701 -15.164 -4.632 1.00 0.00 C ATOM 93 C LYS A 7 -7.461 -14.124 -5.731 1.00 0.00 C ATOM 94 O LYS A 7 -6.646 -13.216 -5.555 1.00 0.00 O ATOM 95 CB LYS A 7 -6.980 -16.480 -4.956 1.00 0.00 C ATOM 96 CG LYS A 7 -7.113 -17.556 -3.873 1.00 0.00 C ATOM 97 CD LYS A 7 -6.594 -17.077 -2.514 1.00 0.00 C ATOM 98 CE LYS A 7 -7.618 -17.324 -1.402 1.00 0.00 C ATOM 99 NZ LYS A 7 -8.284 -16.076 -0.939 1.00 0.00 N ATOM 0 H LYS A 7 -9.425 -16.354 -4.292 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.273 -14.768 -3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.372 -16.874 -5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.922 -16.271 -5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.159 -17.846 -3.778 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.562 -18.446 -4.178 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.665 -17.594 -2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.362 -16.013 -2.567 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.375 -18.022 -1.761 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.121 -17.799 -0.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.285 -16.048 0.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.769 -15.251 -1.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.264 -16.056 -1.287 1.00 0.00 H new ATOM 113 N ARG A 8 -8.202 -14.233 -6.842 1.00 0.00 N ATOM 114 CA ARG A 8 -8.102 -13.249 -7.928 1.00 0.00 C ATOM 115 C ARG A 8 -8.434 -11.851 -7.385 1.00 0.00 C ATOM 116 O ARG A 8 -7.671 -10.894 -7.578 1.00 0.00 O ATOM 117 CB ARG A 8 -9.055 -13.619 -9.085 1.00 0.00 C ATOM 118 CG ARG A 8 -9.302 -12.499 -10.093 1.00 0.00 C ATOM 119 CD ARG A 8 -9.460 -13.048 -11.498 1.00 0.00 C ATOM 120 NE ARG A 8 -8.165 -13.402 -12.107 1.00 0.00 N ATOM 121 CZ ARG A 8 -7.352 -12.542 -12.758 1.00 0.00 C ATOM 122 NH1 ARG A 8 -7.680 -11.252 -12.865 1.00 0.00 N ATOM 123 NH2 ARG A 8 -6.217 -12.986 -13.283 1.00 0.00 N ATOM 0 H ARG A 8 -8.871 -14.984 -7.012 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.083 -13.250 -8.316 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.646 -14.480 -9.613 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.012 -13.928 -8.664 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.199 -11.946 -9.813 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.471 -11.794 -10.067 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.100 -13.930 -11.472 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.962 -12.308 -12.121 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.859 -14.372 -12.031 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.549 -10.911 -12.454 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.062 -10.608 -13.358 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.964 -13.970 -13.193 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.597 -12.343 -13.776 1.00 0.00 H new ATOM 137 N HIS A 9 -9.561 -11.762 -6.667 1.00 0.00 N ATOM 138 CA HIS A 9 -9.997 -10.512 -6.047 1.00 0.00 C ATOM 139 C HIS A 9 -8.950 -9.994 -5.080 1.00 0.00 C ATOM 140 O HIS A 9 -8.627 -8.818 -5.109 1.00 0.00 O ATOM 141 CB HIS A 9 -11.335 -10.686 -5.323 1.00 0.00 C ATOM 142 CG HIS A 9 -12.514 -10.350 -6.170 1.00 0.00 C ATOM 143 ND1 HIS A 9 -13.541 -9.541 -5.741 1.00 0.00 N ATOM 144 CD2 HIS A 9 -12.820 -10.703 -7.442 1.00 0.00 C ATOM 145 CE1 HIS A 9 -14.427 -9.408 -6.713 1.00 0.00 C ATOM 146 NE2 HIS A 9 -14.011 -10.103 -7.752 1.00 0.00 N ATOM 0 H HIS A 9 -10.189 -12.549 -6.503 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.131 -9.782 -6.846 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -11.424 -11.718 -4.982 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -11.344 -10.055 -4.434 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -12.234 -11.338 -8.090 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -15.337 -8.828 -6.664 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.498 -10.182 -8.645 1.00 0.00 H new ATOM 155 N ASP A 10 -8.411 -10.887 -4.225 1.00 0.00 N ATOM 156 CA ASP A 10 -7.359 -10.513 -3.248 1.00 0.00 C ATOM 157 C ASP A 10 -6.275 -9.698 -3.940 1.00 0.00 C ATOM 158 O ASP A 10 -5.862 -8.655 -3.438 1.00 0.00 O ATOM 159 CB ASP A 10 -6.703 -11.760 -2.604 1.00 0.00 C ATOM 160 CG ASP A 10 -7.519 -12.407 -1.522 1.00 0.00 C ATOM 161 OD1 ASP A 10 -7.990 -11.696 -0.612 1.00 0.00 O ATOM 162 OD2 ASP A 10 -7.644 -13.640 -1.533 1.00 0.00 O ATOM 0 H ASP A 10 -8.683 -11.869 -4.188 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.838 -9.927 -2.464 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.509 -12.496 -3.384 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.737 -11.473 -2.190 1.00 0.00 H new ATOM 167 N VAL A 11 -5.844 -10.172 -5.112 1.00 0.00 N ATOM 168 CA VAL A 11 -4.847 -9.470 -5.917 1.00 0.00 C ATOM 169 C VAL A 11 -5.348 -8.060 -6.245 1.00 0.00 C ATOM 170 O VAL A 11 -4.732 -7.057 -5.837 1.00 0.00 O ATOM 171 CB VAL A 11 -4.552 -10.230 -7.244 1.00 0.00 C ATOM 172 CG1 VAL A 11 -3.506 -9.508 -8.074 1.00 0.00 C ATOM 173 CG2 VAL A 11 -4.122 -11.659 -6.960 1.00 0.00 C ATOM 0 H VAL A 11 -6.174 -11.045 -5.524 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.925 -9.416 -5.338 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.474 -10.257 -7.824 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.323 -10.065 -8.993 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.863 -8.508 -8.320 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.579 -9.432 -7.505 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.921 -12.172 -7.900 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.219 -11.653 -6.350 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.917 -12.179 -6.426 1.00 0.00 H new ATOM 183 N ALA A 12 -6.495 -7.991 -6.946 1.00 0.00 N ATOM 184 CA ALA A 12 -7.108 -6.709 -7.300 1.00 0.00 C ATOM 185 C ALA A 12 -7.265 -5.843 -6.062 1.00 0.00 C ATOM 186 O ALA A 12 -6.890 -4.682 -6.071 1.00 0.00 O ATOM 187 CB ALA A 12 -8.455 -6.910 -7.983 1.00 0.00 C ATOM 0 H ALA A 12 -7.010 -8.808 -7.275 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.449 -6.202 -8.005 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.884 -5.940 -8.233 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.318 -7.492 -8.894 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.128 -7.442 -7.311 1.00 0.00 H new ATOM 193 N GLN A 13 -7.765 -6.443 -4.985 1.00 0.00 N ATOM 194 CA GLN A 13 -7.918 -5.768 -3.704 1.00 0.00 C ATOM 195 C GLN A 13 -6.577 -5.196 -3.233 1.00 0.00 C ATOM 196 O GLN A 13 -6.485 -4.010 -2.930 1.00 0.00 O ATOM 197 CB GLN A 13 -8.482 -6.738 -2.645 1.00 0.00 C ATOM 198 CG GLN A 13 -9.913 -7.225 -2.923 1.00 0.00 C ATOM 199 CD GLN A 13 -10.846 -7.207 -1.706 1.00 0.00 C ATOM 200 OE1 GLN A 13 -10.301 -7.195 -0.496 1.00 0.00 O flip ATOM 201 NE2 GLN A 13 -12.074 -7.245 -1.868 1.00 0.00 N flip ATOM 0 H GLN A 13 -8.076 -7.414 -4.979 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.621 -4.946 -3.834 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.824 -7.604 -2.577 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.462 -6.246 -1.673 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.348 -6.603 -3.706 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.866 -8.242 -3.313 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.464 -7.253 -2.810 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.695 -7.268 -1.059 1.00 0.00 H new ATOM 210 N LEU A 14 -5.534 -6.048 -3.195 1.00 0.00 N ATOM 211 CA LEU A 14 -4.196 -5.622 -2.756 1.00 0.00 C ATOM 212 C LEU A 14 -3.704 -4.430 -3.566 1.00 0.00 C ATOM 213 O LEU A 14 -3.354 -3.378 -2.990 1.00 0.00 O ATOM 214 CB LEU A 14 -3.175 -6.779 -2.834 1.00 0.00 C ATOM 215 CG LEU A 14 -2.016 -6.785 -1.791 1.00 0.00 C ATOM 216 CD1 LEU A 14 -2.133 -5.658 -0.768 1.00 0.00 C ATOM 217 CD2 LEU A 14 -1.924 -8.128 -1.090 1.00 0.00 C ATOM 0 H LEU A 14 -5.594 -7.031 -3.462 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.284 -5.319 -1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.721 -7.717 -2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.732 -6.771 -3.830 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.097 -6.612 -2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.299 -5.713 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.113 -4.697 -1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.071 -5.758 -0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.108 -8.106 -0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.861 -8.333 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.737 -8.910 -1.826 1.00 0.00 H new ATOM 229 N LYS A 15 -3.707 -4.563 -4.906 1.00 0.00 N ATOM 230 CA LYS A 15 -3.291 -3.446 -5.755 1.00 0.00 C ATOM 231 C LYS A 15 -4.223 -2.255 -5.541 1.00 0.00 C ATOM 232 O LYS A 15 -3.755 -1.149 -5.277 1.00 0.00 O ATOM 233 CB LYS A 15 -3.190 -3.831 -7.259 1.00 0.00 C ATOM 234 CG LYS A 15 -4.492 -4.314 -7.905 1.00 0.00 C ATOM 235 CD LYS A 15 -4.260 -4.901 -9.305 1.00 0.00 C ATOM 236 CE LYS A 15 -4.611 -3.900 -10.417 1.00 0.00 C ATOM 237 NZ LYS A 15 -3.731 -2.705 -10.405 1.00 0.00 N ATOM 0 H LYS A 15 -3.985 -5.408 -5.406 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.281 -3.165 -5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.829 -2.965 -7.814 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.439 -4.614 -7.366 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.954 -5.068 -7.268 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.193 -3.482 -7.973 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.217 -5.201 -9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.863 -5.801 -9.425 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.533 -4.395 -11.385 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.648 -3.585 -10.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.868 -2.164 -11.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.969 -2.107 -9.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.738 -3.006 -10.336 1.00 0.00 H new ATOM 251 N PHE A 16 -5.545 -2.513 -5.555 1.00 0.00 N ATOM 252 CA PHE A 16 -6.552 -1.474 -5.289 1.00 0.00 C ATOM 253 C PHE A 16 -6.225 -0.710 -4.010 1.00 0.00 C ATOM 254 O PHE A 16 -6.313 0.515 -3.990 1.00 0.00 O ATOM 255 CB PHE A 16 -7.966 -2.073 -5.195 1.00 0.00 C ATOM 256 CG PHE A 16 -9.061 -1.091 -5.481 1.00 0.00 C ATOM 257 CD1 PHE A 16 -9.606 -0.325 -4.467 1.00 0.00 C ATOM 258 CD2 PHE A 16 -9.543 -0.928 -6.767 1.00 0.00 C ATOM 259 CE1 PHE A 16 -10.611 0.583 -4.730 1.00 0.00 C ATOM 260 CE2 PHE A 16 -10.548 -0.023 -7.035 1.00 0.00 C ATOM 261 CZ PHE A 16 -11.082 0.734 -6.016 1.00 0.00 C ATOM 0 H PHE A 16 -5.938 -3.434 -5.748 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.528 -0.779 -6.129 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.045 -2.905 -5.895 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -8.111 -2.483 -4.195 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.241 -0.439 -3.457 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -9.127 -1.517 -7.571 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -11.028 1.175 -3.929 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -10.916 0.092 -8.044 1.00 0.00 H new ATOM 0 HZ PHE A 16 -11.868 1.444 -6.224 1.00 0.00 H new ATOM 271 N LEU A 17 -5.842 -1.421 -2.942 1.00 0.00 N ATOM 272 CA LEU A 17 -5.471 -0.757 -1.684 1.00 0.00 C ATOM 273 C LEU A 17 -4.260 0.157 -1.920 1.00 0.00 C ATOM 274 O LEU A 17 -4.287 1.355 -1.582 1.00 0.00 O ATOM 275 CB LEU A 17 -5.145 -1.778 -0.578 1.00 0.00 C ATOM 276 CG LEU A 17 -6.294 -2.697 -0.126 1.00 0.00 C ATOM 277 CD1 LEU A 17 -5.757 -3.883 0.658 1.00 0.00 C ATOM 278 CD2 LEU A 17 -7.310 -1.934 0.710 1.00 0.00 C ATOM 0 H LEU A 17 -5.781 -2.439 -2.921 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.324 -0.165 -1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.324 -2.405 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.783 -1.232 0.293 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.795 -3.066 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.586 -4.520 0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.075 -4.456 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.225 -3.526 1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.110 -2.608 1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.821 -1.527 1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.728 -1.119 0.120 1.00 0.00 H new ATOM 290 N CYS A 18 -3.212 -0.399 -2.550 1.00 0.00 N ATOM 291 CA CYS A 18 -2.003 0.373 -2.882 1.00 0.00 C ATOM 292 C CYS A 18 -2.348 1.565 -3.782 1.00 0.00 C ATOM 293 O CYS A 18 -1.845 2.693 -3.566 1.00 0.00 O ATOM 294 CB CYS A 18 -0.946 -0.512 -3.561 1.00 0.00 C ATOM 295 SG CYS A 18 -0.482 -1.982 -2.614 1.00 0.00 S ATOM 0 H CYS A 18 -3.177 -1.377 -2.839 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.586 0.748 -1.947 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.323 -0.826 -4.534 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.052 0.085 -3.743 1.00 0.00 H new ATOM 0 HG CYS A 18 -0.263 -2.971 -3.428 1.00 0.00 H new ATOM 301 N GLU A 19 -3.183 1.312 -4.786 1.00 0.00 N ATOM 302 CA GLU A 19 -3.625 2.329 -5.732 1.00 0.00 C ATOM 303 C GLU A 19 -4.483 3.383 -5.033 1.00 0.00 C ATOM 304 O GLU A 19 -4.123 4.555 -5.030 1.00 0.00 O ATOM 305 CB GLU A 19 -4.371 1.668 -6.895 1.00 0.00 C ATOM 306 CG GLU A 19 -3.480 0.729 -7.705 1.00 0.00 C ATOM 307 CD GLU A 19 -4.042 0.401 -9.029 1.00 0.00 C ATOM 308 OE1 GLU A 19 -3.846 1.181 -9.952 1.00 0.00 O ATOM 309 OE2 GLU A 19 -4.680 -0.647 -9.157 1.00 0.00 O ATOM 0 H GLU A 19 -3.574 0.387 -4.966 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.754 2.843 -6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.222 1.109 -6.505 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.770 2.441 -7.552 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.501 1.189 -7.836 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.327 -0.192 -7.143 1.00 0.00 H new ATOM 316 N SER A 20 -5.548 2.949 -4.345 1.00 0.00 N ATOM 317 CA SER A 20 -6.394 3.864 -3.549 1.00 0.00 C ATOM 318 C SER A 20 -5.521 4.717 -2.645 1.00 0.00 C ATOM 319 O SER A 20 -5.568 5.940 -2.698 1.00 0.00 O ATOM 320 CB SER A 20 -7.413 3.093 -2.684 1.00 0.00 C ATOM 321 OG SER A 20 -8.178 2.162 -3.460 1.00 0.00 O ATOM 0 H SER A 20 -5.848 1.974 -4.320 1.00 0.00 H new ATOM 0 HA SER A 20 -6.944 4.494 -4.248 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.887 2.559 -1.892 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.086 3.800 -2.199 1.00 0.00 H new ATOM 0 HG SER A 20 -7.752 1.280 -3.425 1.00 0.00 H new ATOM 327 N LEU A 21 -4.662 4.058 -1.852 1.00 0.00 N ATOM 328 CA LEU A 21 -3.744 4.776 -0.975 1.00 0.00 C ATOM 329 C LEU A 21 -2.864 5.730 -1.761 1.00 0.00 C ATOM 330 O LEU A 21 -2.543 6.797 -1.283 1.00 0.00 O ATOM 331 CB LEU A 21 -2.905 3.832 -0.127 1.00 0.00 C ATOM 332 CG LEU A 21 -2.141 4.481 1.035 1.00 0.00 C ATOM 333 CD1 LEU A 21 -3.056 4.750 2.214 1.00 0.00 C ATOM 334 CD2 LEU A 21 -0.982 3.615 1.454 1.00 0.00 C ATOM 0 H LEU A 21 -4.589 3.042 -1.805 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.355 5.365 -0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.559 3.060 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.186 3.332 -0.776 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.754 5.439 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.485 5.210 3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.857 5.423 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.485 3.811 2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.452 4.091 2.279 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.353 2.641 1.774 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.302 3.485 0.612 1.00 0.00 H new ATOM 346 N TYR A 22 -2.501 5.360 -2.975 1.00 0.00 N ATOM 347 CA TYR A 22 -1.740 6.263 -3.842 1.00 0.00 C ATOM 348 C TYR A 22 -2.626 7.451 -4.214 1.00 0.00 C ATOM 349 O TYR A 22 -2.190 8.590 -4.156 1.00 0.00 O ATOM 350 CB TYR A 22 -1.276 5.550 -5.135 1.00 0.00 C ATOM 351 CG TYR A 22 0.177 5.794 -5.535 1.00 0.00 C ATOM 352 CD1 TYR A 22 0.831 6.990 -5.236 1.00 0.00 C ATOM 353 CD2 TYR A 22 0.889 4.822 -6.228 1.00 0.00 C ATOM 354 CE1 TYR A 22 2.143 7.200 -5.617 1.00 0.00 C ATOM 355 CE2 TYR A 22 2.198 5.025 -6.609 1.00 0.00 C ATOM 356 CZ TYR A 22 2.822 6.211 -6.305 1.00 0.00 C ATOM 357 OH TYR A 22 4.132 6.411 -6.690 1.00 0.00 O ATOM 0 H TYR A 22 -2.714 4.452 -3.387 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.853 6.595 -3.302 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.425 4.477 -5.011 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.919 5.869 -5.956 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.304 7.764 -4.698 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.406 3.888 -6.473 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.635 8.131 -5.379 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.732 4.254 -7.145 1.00 0.00 H new ATOM 0 HH TYR A 22 4.459 5.617 -7.162 1.00 0.00 H new ATOM 367 N ASP A 23 -3.882 7.159 -4.551 1.00 0.00 N ATOM 368 CA ASP A 23 -4.856 8.180 -4.955 1.00 0.00 C ATOM 369 C ASP A 23 -5.166 9.143 -3.821 1.00 0.00 C ATOM 370 O ASP A 23 -4.928 10.352 -3.948 1.00 0.00 O ATOM 371 CB ASP A 23 -6.153 7.520 -5.455 1.00 0.00 C ATOM 372 CG ASP A 23 -6.522 7.930 -6.835 1.00 0.00 C ATOM 373 OD1 ASP A 23 -6.048 7.308 -7.784 1.00 0.00 O ATOM 374 OD2 ASP A 23 -7.305 8.862 -6.981 1.00 0.00 O ATOM 0 H ASP A 23 -4.255 6.210 -4.553 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.409 8.753 -5.768 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.038 6.437 -5.423 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.968 7.774 -4.777 1.00 0.00 H new ATOM 379 N GLU A 24 -5.652 8.614 -2.696 1.00 0.00 N ATOM 380 CA GLU A 24 -5.933 9.466 -1.524 1.00 0.00 C ATOM 381 C GLU A 24 -4.612 10.029 -0.972 1.00 0.00 C ATOM 382 O GLU A 24 -4.554 11.167 -0.475 1.00 0.00 O ATOM 383 CB GLU A 24 -6.743 8.724 -0.396 1.00 0.00 C ATOM 384 CG GLU A 24 -7.281 7.317 -0.750 1.00 0.00 C ATOM 385 CD GLU A 24 -8.627 6.997 -0.141 1.00 0.00 C ATOM 386 OE1 GLU A 24 -8.892 7.383 1.013 1.00 0.00 O ATOM 387 OE2 GLU A 24 -9.433 6.349 -0.821 1.00 0.00 O ATOM 0 H GLU A 24 -5.858 7.623 -2.566 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.572 10.282 -1.860 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.103 8.635 0.482 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.588 9.352 -0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.356 7.231 -1.834 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.559 6.570 -0.420 1.00 0.00 H new ATOM 394 N GLY A 25 -3.546 9.223 -1.067 1.00 0.00 N ATOM 395 CA GLY A 25 -2.242 9.626 -0.596 1.00 0.00 C ATOM 396 C GLY A 25 -1.716 10.830 -1.319 1.00 0.00 C ATOM 397 O GLY A 25 -1.432 11.832 -0.681 1.00 0.00 O ATOM 0 H GLY A 25 -3.576 8.286 -1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.296 9.842 0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.543 8.799 -0.719 1.00 0.00 H new ATOM 401 N ILE A 26 -1.624 10.768 -2.662 1.00 0.00 N ATOM 402 CA ILE A 26 -1.152 11.924 -3.438 1.00 0.00 C ATOM 403 C ILE A 26 -2.002 13.154 -3.116 1.00 0.00 C ATOM 404 O ILE A 26 -1.456 14.227 -2.802 1.00 0.00 O ATOM 405 CB ILE A 26 -1.138 11.661 -4.983 1.00 0.00 C ATOM 406 CG1 ILE A 26 -0.187 10.509 -5.340 1.00 0.00 C ATOM 407 CG2 ILE A 26 -0.725 12.915 -5.751 1.00 0.00 C ATOM 408 CD1 ILE A 26 1.240 10.717 -4.863 1.00 0.00 C ATOM 0 H ILE A 26 -1.865 9.948 -3.219 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.118 12.103 -3.143 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.152 11.386 -5.272 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.573 9.586 -4.908 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.182 10.377 -6.422 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.724 12.703 -6.820 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.430 13.719 -5.541 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.275 13.219 -5.441 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.849 9.861 -5.153 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.647 11.622 -5.315 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.250 10.818 -3.778 1.00 0.00 H new ATOM 420 N ALA A 27 -3.334 12.986 -3.131 1.00 0.00 N ATOM 421 CA ALA A 27 -4.256 14.080 -2.779 1.00 0.00 C ATOM 422 C ALA A 27 -3.867 14.720 -1.441 1.00 0.00 C ATOM 423 O ALA A 27 -3.914 15.938 -1.296 1.00 0.00 O ATOM 424 CB ALA A 27 -5.697 13.580 -2.721 1.00 0.00 C ATOM 0 H ALA A 27 -3.795 12.111 -3.381 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.181 14.838 -3.559 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.358 14.406 -2.459 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.983 13.180 -3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.780 12.796 -1.968 1.00 0.00 H new ATOM 430 N THR A 28 -3.497 13.895 -0.476 1.00 0.00 N ATOM 431 CA THR A 28 -3.119 14.372 0.852 1.00 0.00 C ATOM 432 C THR A 28 -1.645 14.836 0.907 1.00 0.00 C ATOM 433 O THR A 28 -1.336 15.877 1.506 1.00 0.00 O ATOM 434 CB THR A 28 -3.388 13.279 1.899 1.00 0.00 C ATOM 435 OG1 THR A 28 -4.627 12.636 1.654 1.00 0.00 O ATOM 436 CG2 THR A 28 -3.411 13.800 3.314 1.00 0.00 C ATOM 0 H THR A 28 -3.449 12.882 -0.585 1.00 0.00 H new ATOM 0 HA THR A 28 -3.733 15.243 1.079 1.00 0.00 H new ATOM 0 HB THR A 28 -2.558 12.579 1.801 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.545 12.056 0.869 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.606 12.977 4.002 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.448 14.251 3.551 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.197 14.549 3.413 1.00 0.00 H new ATOM 444 N LEU A 29 -0.740 14.038 0.338 1.00 0.00 N ATOM 445 CA LEU A 29 0.694 14.330 0.374 1.00 0.00 C ATOM 446 C LEU A 29 1.057 15.586 -0.430 1.00 0.00 C ATOM 447 O LEU A 29 2.102 16.203 -0.168 1.00 0.00 O ATOM 448 CB LEU A 29 1.505 13.139 -0.144 1.00 0.00 C ATOM 449 CG LEU A 29 1.385 11.838 0.666 1.00 0.00 C ATOM 450 CD1 LEU A 29 1.588 10.623 -0.221 1.00 0.00 C ATOM 451 CD2 LEU A 29 2.374 11.824 1.817 1.00 0.00 C ATOM 0 H LEU A 29 -0.977 13.178 -0.157 1.00 0.00 H new ATOM 0 HA LEU A 29 0.945 14.517 1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.198 12.935 -1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.556 13.427 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 29 0.377 11.795 1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.498 9.716 0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.832 10.616 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.580 10.663 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.270 10.894 2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.389 11.901 1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.175 12.668 2.478 1.00 0.00 H new ATOM 463 N GLY A 30 0.226 15.949 -1.414 1.00 0.00 N ATOM 464 CA GLY A 30 0.502 17.127 -2.222 1.00 0.00 C ATOM 465 C GLY A 30 0.035 18.395 -1.543 1.00 0.00 C ATOM 466 O GLY A 30 0.361 18.633 -0.367 1.00 0.00 O ATOM 0 H GLY A 30 -0.628 15.449 -1.662 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.573 17.192 -2.417 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.008 17.029 -3.189 1.00 0.00 H new ATOM 470 N ASP A 31 -0.758 19.204 -2.249 1.00 0.00 N ATOM 471 CA ASP A 31 -1.288 20.428 -1.667 1.00 0.00 C ATOM 472 C ASP A 31 -2.434 20.114 -0.718 1.00 0.00 C ATOM 473 O ASP A 31 -3.600 20.053 -1.133 1.00 0.00 O ATOM 474 CB ASP A 31 -1.741 21.420 -2.735 1.00 0.00 C ATOM 475 CG ASP A 31 -2.125 22.736 -2.148 1.00 0.00 C ATOM 476 OD1 ASP A 31 -1.246 23.473 -1.715 1.00 0.00 O ATOM 477 OD2 ASP A 31 -3.302 23.052 -2.125 1.00 0.00 O ATOM 0 H ASP A 31 -1.042 19.032 -3.214 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.479 20.897 -1.106 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.939 21.566 -3.458 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.589 21.005 -3.279 1.00 0.00 H new ATOM 482 N SER A 32 -2.105 19.883 0.537 1.00 0.00 N ATOM 483 CA SER A 32 -3.097 19.546 1.555 1.00 0.00 C ATOM 484 C SER A 32 -4.116 20.688 1.740 1.00 0.00 C ATOM 485 O SER A 32 -3.778 21.878 1.552 1.00 0.00 O ATOM 486 CB SER A 32 -2.406 19.197 2.877 1.00 0.00 C ATOM 487 OG SER A 32 -0.971 19.246 2.750 1.00 0.00 O ATOM 0 H SER A 32 -1.147 19.922 0.886 1.00 0.00 H new ATOM 0 HA SER A 32 -3.650 18.669 1.218 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.728 19.892 3.652 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.711 18.200 3.196 1.00 0.00 H new ATOM 0 HG SER A 32 -0.559 19.020 3.610 1.00 0.00 H new ATOM 493 N HIS A 33 -5.375 20.320 2.045 1.00 0.00 N ATOM 494 CA HIS A 33 -6.482 21.295 2.179 1.00 0.00 C ATOM 495 C HIS A 33 -6.155 22.459 3.110 1.00 0.00 C ATOM 496 O HIS A 33 -6.414 23.618 2.759 1.00 0.00 O ATOM 497 CB HIS A 33 -7.781 20.617 2.633 1.00 0.00 C ATOM 498 CG HIS A 33 -9.019 21.327 2.168 1.00 0.00 C ATOM 499 ND1 HIS A 33 -9.636 22.328 2.896 1.00 0.00 N ATOM 500 CD2 HIS A 33 -9.757 21.178 1.037 1.00 0.00 C ATOM 501 CE1 HIS A 33 -10.700 22.759 2.235 1.00 0.00 C ATOM 502 NE2 HIS A 33 -10.796 22.078 1.105 1.00 0.00 N ATOM 0 H HIS A 33 -5.655 19.352 2.204 1.00 0.00 H new ATOM 0 HA HIS A 33 -6.623 21.708 1.180 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -7.797 19.593 2.260 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.791 20.560 3.721 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -9.564 20.482 0.234 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -11.375 23.535 2.563 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -11.522 22.200 0.399 1.00 0.00 H new ATOM 511 N HIS A 34 -5.642 22.169 4.310 1.00 0.00 N ATOM 512 CA HIS A 34 -5.338 23.240 5.278 1.00 0.00 C ATOM 513 C HIS A 34 -4.142 24.108 4.814 1.00 0.00 C ATOM 514 O HIS A 34 -4.046 25.269 5.188 1.00 0.00 O ATOM 515 CB HIS A 34 -5.103 22.648 6.694 1.00 0.00 C ATOM 516 CG HIS A 34 -4.611 23.619 7.733 1.00 0.00 C ATOM 517 ND1 HIS A 34 -3.680 23.280 8.696 1.00 0.00 N ATOM 518 CD2 HIS A 34 -4.927 24.918 7.961 1.00 0.00 C ATOM 519 CE1 HIS A 34 -3.445 24.329 9.468 1.00 0.00 C ATOM 520 NE2 HIS A 34 -4.190 25.338 9.042 1.00 0.00 N ATOM 0 H HIS A 34 -5.431 21.225 4.634 1.00 0.00 H new ATOM 0 HA HIS A 34 -6.204 23.900 5.331 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.038 22.211 7.045 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -4.382 21.835 6.613 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.629 25.513 7.396 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.762 24.358 10.304 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -4.213 26.273 9.449 1.00 0.00 H new ATOM 529 N GLY A 35 -3.312 23.584 3.900 1.00 0.00 N ATOM 530 CA GLY A 35 -2.227 24.379 3.315 1.00 0.00 C ATOM 531 C GLY A 35 -1.097 24.745 4.259 1.00 0.00 C ATOM 532 O GLY A 35 -0.311 25.654 3.949 1.00 0.00 O ATOM 0 H GLY A 35 -3.371 22.626 3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.809 23.826 2.474 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.652 25.299 2.912 1.00 0.00 H new ATOM 536 N TRP A 36 -0.986 24.065 5.389 1.00 0.00 N ATOM 537 CA TRP A 36 0.092 24.342 6.347 1.00 0.00 C ATOM 538 C TRP A 36 1.029 23.148 6.462 1.00 0.00 C ATOM 539 O TRP A 36 2.224 23.254 6.165 1.00 0.00 O ATOM 540 CB TRP A 36 -0.471 24.711 7.737 1.00 0.00 C ATOM 541 CG TRP A 36 -0.983 26.120 7.834 1.00 0.00 C ATOM 542 CD1 TRP A 36 -2.136 26.606 7.307 1.00 0.00 C ATOM 543 CD2 TRP A 36 -0.355 27.220 8.499 1.00 0.00 C ATOM 544 NE1 TRP A 36 -2.273 27.935 7.609 1.00 0.00 N ATOM 545 CE2 TRP A 36 -1.192 28.340 8.333 1.00 0.00 C ATOM 546 CE3 TRP A 36 0.832 27.366 9.218 1.00 0.00 C ATOM 547 CZ2 TRP A 36 -0.877 29.588 8.859 1.00 0.00 C ATOM 548 CZ3 TRP A 36 1.144 28.603 9.739 1.00 0.00 C ATOM 549 CH2 TRP A 36 0.293 29.699 9.558 1.00 0.00 C ATOM 0 H TRP A 36 -1.622 23.319 5.672 1.00 0.00 H new ATOM 0 HA TRP A 36 0.654 25.197 5.971 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.280 24.023 7.984 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.310 24.567 8.484 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.844 26.028 6.732 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.058 28.526 7.336 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.494 26.525 9.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.531 30.436 8.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 2.061 28.729 10.296 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.567 30.655 9.980 1.00 0.00 H new ATOM 560 N VAL A 37 0.482 22.019 6.903 1.00 0.00 N ATOM 561 CA VAL A 37 1.246 20.787 7.111 1.00 0.00 C ATOM 562 C VAL A 37 0.340 19.560 6.931 1.00 0.00 C ATOM 563 O VAL A 37 -0.890 19.695 6.906 1.00 0.00 O ATOM 564 CB VAL A 37 1.903 20.753 8.527 1.00 0.00 C ATOM 565 CG1 VAL A 37 3.310 21.333 8.483 1.00 0.00 C ATOM 566 CG2 VAL A 37 1.056 21.513 9.548 1.00 0.00 C ATOM 0 H VAL A 37 -0.509 21.930 7.128 1.00 0.00 H new ATOM 0 HA VAL A 37 2.041 20.763 6.366 1.00 0.00 H new ATOM 0 HB VAL A 37 1.962 19.710 8.838 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.749 21.299 9.480 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.923 20.749 7.797 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.267 22.367 8.140 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.539 21.472 10.524 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.956 22.553 9.236 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.068 21.057 9.612 1.00 0.00 H new ATOM 576 N ASN A 38 0.933 18.376 6.881 1.00 0.00 N ATOM 577 CA ASN A 38 0.165 17.139 6.776 1.00 0.00 C ATOM 578 C ASN A 38 -0.248 16.694 8.162 1.00 0.00 C ATOM 579 O ASN A 38 0.593 16.292 8.967 1.00 0.00 O ATOM 580 CB ASN A 38 0.984 16.022 6.097 1.00 0.00 C ATOM 581 CG ASN A 38 0.251 15.414 4.921 1.00 0.00 C ATOM 582 OD1 ASN A 38 -0.259 14.301 5.010 1.00 0.00 O ATOM 583 ND2 ASN A 38 0.195 16.134 3.813 1.00 0.00 N ATOM 0 H ASN A 38 1.944 18.243 6.911 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.715 17.331 6.162 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.938 16.427 5.759 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.208 15.243 6.826 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.285 15.768 2.991 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.632 17.055 3.781 1.00 0.00 H new ATOM 590 N ASP A 39 -1.536 16.814 8.453 1.00 0.00 N ATOM 591 CA ASP A 39 -2.071 16.456 9.765 1.00 0.00 C ATOM 592 C ASP A 39 -2.402 14.974 9.816 1.00 0.00 C ATOM 593 O ASP A 39 -3.406 14.561 9.250 1.00 0.00 O ATOM 594 CB ASP A 39 -3.345 17.272 10.063 1.00 0.00 C ATOM 595 CG ASP A 39 -3.631 17.384 11.516 1.00 0.00 C ATOM 596 OD1 ASP A 39 -4.341 16.534 12.055 1.00 0.00 O ATOM 597 OD2 ASP A 39 -3.170 18.340 12.129 1.00 0.00 O ATOM 0 H ASP A 39 -2.236 17.158 7.796 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.313 16.681 10.515 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.238 18.271 9.641 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.195 16.805 9.565 1.00 0.00 H new ATOM 602 N PRO A 40 -1.595 14.139 10.528 1.00 0.00 N ATOM 603 CA PRO A 40 -1.872 12.690 10.662 1.00 0.00 C ATOM 604 C PRO A 40 -3.347 12.406 11.017 1.00 0.00 C ATOM 605 O PRO A 40 -3.891 11.354 10.652 1.00 0.00 O ATOM 606 CB PRO A 40 -0.963 12.264 11.816 1.00 0.00 C ATOM 607 CG PRO A 40 0.171 13.231 11.783 1.00 0.00 C ATOM 608 CD PRO A 40 -0.386 14.534 11.277 1.00 0.00 C ATOM 0 HA PRO A 40 -1.690 12.153 9.731 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.489 12.304 12.770 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.613 11.240 11.687 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.603 13.355 12.776 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.967 12.871 11.131 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.628 15.210 12.097 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.328 15.052 10.637 1.00 0.00 H new ATOM 616 N THR A 41 -3.970 13.346 11.731 1.00 0.00 N ATOM 617 CA THR A 41 -5.360 13.234 12.156 1.00 0.00 C ATOM 618 C THR A 41 -6.376 13.765 11.118 1.00 0.00 C ATOM 619 O THR A 41 -7.591 13.687 11.343 1.00 0.00 O ATOM 620 CB THR A 41 -5.551 13.928 13.498 1.00 0.00 C ATOM 621 OG1 THR A 41 -4.386 14.691 13.879 1.00 0.00 O ATOM 622 CG2 THR A 41 -5.818 12.949 14.567 1.00 0.00 C ATOM 0 H THR A 41 -3.518 14.210 12.031 1.00 0.00 H new ATOM 0 HA THR A 41 -5.568 12.169 12.255 1.00 0.00 H new ATOM 0 HB THR A 41 -6.402 14.598 13.376 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.416 15.571 13.449 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.950 13.472 15.514 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.724 12.391 14.331 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.977 12.260 14.647 1.00 0.00 H new ATOM 630 N SER A 42 -5.892 14.297 10.015 1.00 0.00 N ATOM 631 CA SER A 42 -6.752 14.809 8.954 1.00 0.00 C ATOM 632 C SER A 42 -7.627 13.679 8.399 1.00 0.00 C ATOM 633 O SER A 42 -7.226 12.506 8.433 1.00 0.00 O ATOM 634 CB SER A 42 -5.910 15.498 7.846 1.00 0.00 C ATOM 635 OG SER A 42 -5.751 14.687 6.667 1.00 0.00 O ATOM 0 H SER A 42 -4.894 14.389 9.823 1.00 0.00 H new ATOM 0 HA SER A 42 -7.415 15.570 9.365 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.385 16.439 7.570 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.926 15.743 8.246 1.00 0.00 H new ATOM 0 HG SER A 42 -4.807 14.674 6.403 1.00 0.00 H new ATOM 641 N ALA A 43 -8.827 14.018 7.920 1.00 0.00 N ATOM 642 CA ALA A 43 -9.767 13.006 7.400 1.00 0.00 C ATOM 643 C ALA A 43 -9.116 12.075 6.388 1.00 0.00 C ATOM 644 O ALA A 43 -9.359 10.867 6.407 1.00 0.00 O ATOM 645 CB ALA A 43 -11.010 13.645 6.805 1.00 0.00 C ATOM 0 H ALA A 43 -9.174 14.976 7.879 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.067 12.404 8.258 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.677 12.867 6.433 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.523 14.226 7.571 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.724 14.301 5.983 1.00 0.00 H new ATOM 651 N VAL A 44 -8.248 12.617 5.549 1.00 0.00 N ATOM 652 CA VAL A 44 -7.552 11.818 4.591 1.00 0.00 C ATOM 653 C VAL A 44 -6.456 11.047 5.285 1.00 0.00 C ATOM 654 O VAL A 44 -6.368 9.827 5.151 1.00 0.00 O ATOM 655 CB VAL A 44 -6.937 12.634 3.427 1.00 0.00 C ATOM 656 CG1 VAL A 44 -7.482 12.179 2.084 1.00 0.00 C ATOM 657 CG2 VAL A 44 -7.129 14.114 3.590 1.00 0.00 C ATOM 0 H VAL A 44 -8.018 13.610 5.523 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.291 11.149 4.150 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.865 12.440 3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.030 12.772 1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.244 11.126 1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.564 12.312 2.066 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.678 14.635 2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.194 14.341 3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.654 14.443 4.514 1.00 0.00 H new ATOM 667 N ASN A 45 -5.627 11.769 6.064 1.00 0.00 N ATOM 668 CA ASN A 45 -4.531 11.139 6.794 1.00 0.00 C ATOM 669 C ASN A 45 -5.044 9.966 7.628 1.00 0.00 C ATOM 670 O ASN A 45 -4.437 8.890 7.634 1.00 0.00 O ATOM 671 CB ASN A 45 -3.766 12.128 7.685 1.00 0.00 C ATOM 672 CG ASN A 45 -2.887 13.085 6.896 1.00 0.00 C ATOM 673 OD1 ASN A 45 -3.398 13.979 6.224 1.00 0.00 O ATOM 674 ND2 ASN A 45 -1.577 12.935 6.985 1.00 0.00 N ATOM 0 H ASN A 45 -5.701 12.778 6.198 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.828 10.771 6.046 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.480 12.703 8.276 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.147 11.571 8.388 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.956 13.572 6.487 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.187 12.182 7.552 1.00 0.00 H new ATOM 681 N LEU A 46 -6.194 10.158 8.297 1.00 0.00 N ATOM 682 CA LEU A 46 -6.831 9.093 9.079 1.00 0.00 C ATOM 683 C LEU A 46 -7.192 7.939 8.167 1.00 0.00 C ATOM 684 O LEU A 46 -6.764 6.802 8.399 1.00 0.00 O ATOM 685 CB LEU A 46 -8.095 9.597 9.786 1.00 0.00 C ATOM 686 CG LEU A 46 -7.882 10.656 10.863 1.00 0.00 C ATOM 687 CD1 LEU A 46 -9.213 11.146 11.388 1.00 0.00 C ATOM 688 CD2 LEU A 46 -7.026 10.110 11.993 1.00 0.00 C ATOM 0 H LEU A 46 -6.699 11.044 8.310 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.123 8.763 9.839 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.771 10.004 9.033 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.599 8.743 10.239 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.355 11.500 10.418 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.046 11.901 12.156 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.789 11.581 10.571 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.765 10.310 11.816 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.887 10.882 12.750 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.521 9.248 12.441 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.055 9.808 11.601 1.00 0.00 H new ATOM 700 N GLN A 47 -7.937 8.243 7.092 1.00 0.00 N ATOM 701 CA GLN A 47 -8.301 7.259 6.110 1.00 0.00 C ATOM 702 C GLN A 47 -7.107 6.500 5.592 1.00 0.00 C ATOM 703 O GLN A 47 -7.100 5.272 5.612 1.00 0.00 O ATOM 704 CB GLN A 47 -8.989 7.936 5.018 1.00 0.00 C ATOM 705 CG GLN A 47 -10.421 8.172 5.396 1.00 0.00 C ATOM 706 CD GLN A 47 -11.219 8.251 4.223 1.00 0.00 C ATOM 707 OE1 GLN A 47 -12.211 7.533 4.065 1.00 0.00 O ATOM 708 NE2 GLN A 47 -10.819 9.099 3.363 1.00 0.00 N ATOM 0 H GLN A 47 -8.293 9.179 6.897 1.00 0.00 H new ATOM 0 HA GLN A 47 -8.955 6.523 6.577 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.499 8.885 4.799 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.936 7.333 4.112 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.776 7.364 6.035 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.508 9.095 5.970 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.991 9.664 3.551 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.326 9.214 2.486 1.00 0.00 H new ATOM 717 N LEU A 48 -6.071 7.233 5.184 1.00 0.00 N ATOM 718 CA LEU A 48 -4.816 6.630 4.718 1.00 0.00 C ATOM 719 C LEU A 48 -4.203 5.785 5.825 1.00 0.00 C ATOM 720 O LEU A 48 -3.796 4.654 5.587 1.00 0.00 O ATOM 721 CB LEU A 48 -3.833 7.715 4.288 1.00 0.00 C ATOM 722 CG LEU A 48 -4.321 8.620 3.159 1.00 0.00 C ATOM 723 CD1 LEU A 48 -3.776 10.026 3.307 1.00 0.00 C ATOM 724 CD2 LEU A 48 -3.954 8.040 1.815 1.00 0.00 C ATOM 0 H LEU A 48 -6.074 8.253 5.166 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.032 5.993 3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.598 8.334 5.154 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.904 7.239 3.975 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.408 8.678 3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.141 10.646 2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.107 10.447 4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.687 9.998 3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.311 8.700 1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.871 7.942 1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.415 7.059 1.704 1.00 0.00 H new ATOM 736 N ASN A 49 -4.177 6.330 7.048 1.00 0.00 N ATOM 737 CA ASN A 49 -3.668 5.590 8.211 1.00 0.00 C ATOM 738 C ASN A 49 -4.403 4.266 8.341 1.00 0.00 C ATOM 739 O ASN A 49 -3.769 3.214 8.479 1.00 0.00 O ATOM 740 CB ASN A 49 -3.815 6.401 9.501 1.00 0.00 C ATOM 741 CG ASN A 49 -2.531 7.100 9.876 1.00 0.00 C ATOM 742 OD1 ASN A 49 -1.543 6.445 10.236 1.00 0.00 O ATOM 743 ND2 ASN A 49 -2.516 8.420 9.784 1.00 0.00 N ATOM 0 H ASN A 49 -4.500 7.274 7.258 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.606 5.404 8.054 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.607 7.139 9.377 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.119 5.740 10.313 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.668 8.938 10.014 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.353 8.920 9.483 1.00 0.00 H new ATOM 750 N ASP A 50 -5.744 4.321 8.198 1.00 0.00 N ATOM 751 CA ASP A 50 -6.587 3.116 8.188 1.00 0.00 C ATOM 752 C ASP A 50 -6.186 2.254 7.020 1.00 0.00 C ATOM 753 O ASP A 50 -5.822 1.120 7.198 1.00 0.00 O ATOM 754 CB ASP A 50 -8.073 3.480 8.059 1.00 0.00 C ATOM 755 CG ASP A 50 -8.977 2.280 7.925 1.00 0.00 C ATOM 756 OD1 ASP A 50 -8.911 1.375 8.770 1.00 0.00 O ATOM 757 OD2 ASP A 50 -9.772 2.256 6.982 1.00 0.00 O ATOM 0 H ASP A 50 -6.263 5.192 8.088 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.446 2.582 9.128 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.375 4.057 8.933 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.207 4.125 7.190 1.00 0.00 H new ATOM 762 N LEU A 51 -6.213 2.848 5.821 1.00 0.00 N ATOM 763 CA LEU A 51 -5.786 2.200 4.578 1.00 0.00 C ATOM 764 C LEU A 51 -4.518 1.391 4.808 1.00 0.00 C ATOM 765 O LEU A 51 -4.475 0.199 4.531 1.00 0.00 O ATOM 766 CB LEU A 51 -5.513 3.265 3.514 1.00 0.00 C ATOM 767 CG LEU A 51 -6.695 3.627 2.645 1.00 0.00 C ATOM 768 CD1 LEU A 51 -6.907 5.129 2.560 1.00 0.00 C ATOM 769 CD2 LEU A 51 -6.510 3.073 1.288 1.00 0.00 C ATOM 0 H LEU A 51 -6.537 3.806 5.687 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.579 1.532 4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.158 4.168 4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.705 2.915 2.872 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.583 3.195 3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.767 5.340 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.087 5.528 3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.019 5.598 2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.366 3.338 0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.601 3.484 0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.426 1.988 1.346 1.00 0.00 H new ATOM 781 N ILE A 52 -3.501 2.060 5.331 1.00 0.00 N ATOM 782 CA ILE A 52 -2.215 1.423 5.651 1.00 0.00 C ATOM 783 C ILE A 52 -2.439 0.167 6.520 1.00 0.00 C ATOM 784 O ILE A 52 -2.005 -0.931 6.157 1.00 0.00 O ATOM 785 CB ILE A 52 -1.240 2.417 6.373 1.00 0.00 C ATOM 786 CG1 ILE A 52 -0.942 3.616 5.478 1.00 0.00 C ATOM 787 CG2 ILE A 52 0.072 1.743 6.786 1.00 0.00 C ATOM 788 CD1 ILE A 52 -0.468 4.825 6.237 1.00 0.00 C ATOM 0 H ILE A 52 -3.535 3.056 5.548 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.750 1.127 4.710 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.742 2.753 7.280 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.184 3.335 4.747 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.842 3.876 4.920 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.714 2.471 7.282 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.141 0.921 7.470 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.577 1.357 5.901 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.275 5.640 5.539 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.234 5.131 6.949 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.449 4.581 6.773 1.00 0.00 H new ATOM 800 N GLU A 53 -3.179 0.319 7.614 1.00 0.00 N ATOM 801 CA GLU A 53 -3.511 -0.819 8.484 1.00 0.00 C ATOM 802 C GLU A 53 -4.382 -1.823 7.746 1.00 0.00 C ATOM 803 O GLU A 53 -4.140 -3.020 7.818 1.00 0.00 O ATOM 804 CB GLU A 53 -4.190 -0.338 9.749 1.00 0.00 C ATOM 805 CG GLU A 53 -3.295 0.543 10.569 1.00 0.00 C ATOM 806 CD GLU A 53 -3.792 0.746 11.954 1.00 0.00 C ATOM 807 OE1 GLU A 53 -3.986 -0.243 12.654 1.00 0.00 O ATOM 808 OE2 GLU A 53 -4.005 1.890 12.348 1.00 0.00 O ATOM 0 H GLU A 53 -3.562 1.212 7.924 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.585 -1.321 8.765 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.096 0.209 9.488 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.497 -1.198 10.345 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.298 0.104 10.607 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.198 1.511 10.078 1.00 0.00 H new ATOM 815 N HIS A 54 -5.346 -1.317 6.993 1.00 0.00 N ATOM 816 CA HIS A 54 -6.212 -2.140 6.140 1.00 0.00 C ATOM 817 C HIS A 54 -5.343 -3.015 5.242 1.00 0.00 C ATOM 818 O HIS A 54 -5.575 -4.222 5.120 1.00 0.00 O ATOM 819 CB HIS A 54 -7.112 -1.246 5.278 1.00 0.00 C ATOM 820 CG HIS A 54 -8.271 -1.951 4.634 1.00 0.00 C ATOM 821 ND1 HIS A 54 -8.242 -3.276 4.215 1.00 0.00 N ATOM 822 CD2 HIS A 54 -9.506 -1.499 4.337 1.00 0.00 C ATOM 823 CE1 HIS A 54 -9.414 -3.590 3.687 1.00 0.00 C ATOM 824 NE2 HIS A 54 -10.198 -2.529 3.752 1.00 0.00 N ATOM 0 H HIS A 54 -5.557 -0.320 6.951 1.00 0.00 H new ATOM 0 HA HIS A 54 -6.844 -2.768 6.768 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -7.497 -0.437 5.898 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -6.504 -0.788 4.497 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -7.444 -3.906 4.301 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.883 -0.505 4.526 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -9.684 -4.550 3.273 1.00 0.00 H new ATOM 833 N ILE A 55 -4.307 -2.409 4.656 1.00 0.00 N ATOM 834 CA ILE A 55 -3.343 -3.139 3.852 1.00 0.00 C ATOM 835 C ILE A 55 -2.567 -4.093 4.771 1.00 0.00 C ATOM 836 O ILE A 55 -2.435 -5.270 4.466 1.00 0.00 O ATOM 837 CB ILE A 55 -2.351 -2.173 3.118 1.00 0.00 C ATOM 838 CG1 ILE A 55 -3.104 -1.237 2.174 1.00 0.00 C ATOM 839 CG2 ILE A 55 -1.285 -2.942 2.342 1.00 0.00 C ATOM 840 CD1 ILE A 55 -2.282 -0.053 1.714 1.00 0.00 C ATOM 0 H ILE A 55 -4.120 -1.409 4.728 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.876 -3.698 3.083 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.852 -1.581 3.885 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.433 -1.802 1.302 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.001 -0.873 2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.616 -2.238 1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.712 -3.564 3.030 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.764 -3.574 1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.880 0.568 1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.975 0.535 2.579 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.398 -0.408 1.184 1.00 0.00 H new ATOM 852 N ALA A 56 -2.114 -3.576 5.928 1.00 0.00 N ATOM 853 CA ALA A 56 -1.404 -4.379 6.936 1.00 0.00 C ATOM 854 C ALA A 56 -2.190 -5.655 7.271 1.00 0.00 C ATOM 855 O ALA A 56 -1.664 -6.768 7.155 1.00 0.00 O ATOM 856 CB ALA A 56 -1.154 -3.549 8.210 1.00 0.00 C ATOM 0 H ALA A 56 -2.230 -2.596 6.188 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.440 -4.672 6.519 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.628 -4.159 8.944 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.549 -2.677 7.963 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.108 -3.223 8.625 1.00 0.00 H new ATOM 862 N SER A 57 -3.451 -5.488 7.651 1.00 0.00 N ATOM 863 CA SER A 57 -4.324 -6.614 7.976 1.00 0.00 C ATOM 864 C SER A 57 -4.576 -7.482 6.741 1.00 0.00 C ATOM 865 O SER A 57 -4.491 -8.721 6.809 1.00 0.00 O ATOM 866 CB SER A 57 -5.644 -6.135 8.599 1.00 0.00 C ATOM 867 OG SER A 57 -6.038 -4.846 8.104 1.00 0.00 O ATOM 0 H SER A 57 -3.897 -4.575 7.743 1.00 0.00 H new ATOM 0 HA SER A 57 -3.816 -7.228 8.719 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.429 -6.860 8.386 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.538 -6.090 9.683 1.00 0.00 H new ATOM 0 HG SER A 57 -5.862 -4.798 7.141 1.00 0.00 H new ATOM 873 N PHE A 58 -4.805 -6.839 5.586 1.00 0.00 N ATOM 874 CA PHE A 58 -4.972 -7.582 4.343 1.00 0.00 C ATOM 875 C PHE A 58 -3.733 -8.434 4.081 1.00 0.00 C ATOM 876 O PHE A 58 -3.854 -9.628 3.778 1.00 0.00 O ATOM 877 CB PHE A 58 -5.251 -6.665 3.150 1.00 0.00 C ATOM 878 CG PHE A 58 -5.638 -7.432 1.923 1.00 0.00 C ATOM 879 CD1 PHE A 58 -6.828 -8.132 1.880 1.00 0.00 C ATOM 880 CD2 PHE A 58 -4.804 -7.475 0.825 1.00 0.00 C ATOM 881 CE1 PHE A 58 -7.176 -8.855 0.769 1.00 0.00 C ATOM 882 CE2 PHE A 58 -5.152 -8.195 -0.293 1.00 0.00 C ATOM 883 CZ PHE A 58 -6.339 -8.887 -0.320 1.00 0.00 C ATOM 0 H PHE A 58 -4.877 -5.826 5.494 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.843 -8.227 4.458 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.049 -5.969 3.408 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.364 -6.068 2.938 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.492 -8.109 2.732 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.868 -6.937 0.844 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.108 -9.400 0.750 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.494 -8.217 -1.149 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.614 -9.455 -1.196 1.00 0.00 H new ATOM 893 N VAL A 59 -2.546 -7.841 4.284 1.00 0.00 N ATOM 894 CA VAL A 59 -1.282 -8.562 4.181 1.00 0.00 C ATOM 895 C VAL A 59 -1.309 -9.752 5.145 1.00 0.00 C ATOM 896 O VAL A 59 -1.035 -10.873 4.737 1.00 0.00 O ATOM 897 CB VAL A 59 -0.059 -7.635 4.493 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.256 -8.412 4.496 1.00 0.00 C ATOM 899 CG2 VAL A 59 0.014 -6.491 3.489 1.00 0.00 C ATOM 0 H VAL A 59 -2.443 -6.855 4.522 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.164 -8.914 3.156 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.208 -7.226 5.492 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.079 -7.733 4.716 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.216 -9.192 5.256 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.412 -8.866 3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.870 -5.857 3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.125 -6.896 2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.900 -5.900 3.543 1.00 0.00 H new ATOM 909 N MET A 60 -1.741 -9.511 6.403 1.00 0.00 N ATOM 910 CA MET A 60 -1.911 -10.601 7.386 1.00 0.00 C ATOM 911 C MET A 60 -2.725 -11.742 6.762 1.00 0.00 C ATOM 912 O MET A 60 -2.293 -12.886 6.772 1.00 0.00 O ATOM 913 CB MET A 60 -2.606 -10.107 8.673 1.00 0.00 C ATOM 914 CG MET A 60 -1.792 -10.296 9.930 1.00 0.00 C ATOM 915 SD MET A 60 -1.919 -8.909 11.079 1.00 0.00 S ATOM 916 CE MET A 60 -1.390 -7.543 10.045 1.00 0.00 C ATOM 0 H MET A 60 -1.975 -8.584 6.757 1.00 0.00 H new ATOM 0 HA MET A 60 -0.919 -10.961 7.659 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.841 -9.048 8.562 1.00 0.00 H new ATOM 0 HB3 MET A 60 -3.554 -10.634 8.785 1.00 0.00 H new ATOM 0 HG2 MET A 60 -2.119 -11.206 10.433 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.746 -10.440 9.659 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.540 -7.043 10.510 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.097 -7.920 9.065 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.210 -6.834 9.931 1.00 0.00 H new ATOM 926 N SER A 61 -3.870 -11.401 6.148 1.00 0.00 N ATOM 927 CA SER A 61 -4.691 -12.372 5.452 1.00 0.00 C ATOM 928 C SER A 61 -3.893 -13.001 4.306 1.00 0.00 C ATOM 929 O SER A 61 -3.941 -14.217 4.089 1.00 0.00 O ATOM 930 CB SER A 61 -5.982 -11.686 4.940 1.00 0.00 C ATOM 931 OG SER A 61 -5.891 -11.258 3.555 1.00 0.00 O ATOM 0 H SER A 61 -4.239 -10.450 6.127 1.00 0.00 H new ATOM 0 HA SER A 61 -4.980 -13.172 6.134 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.819 -12.376 5.046 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.200 -10.822 5.567 1.00 0.00 H new ATOM 0 HG SER A 61 -5.327 -10.458 3.496 1.00 0.00 H new ATOM 937 N PHE A 62 -3.146 -12.153 3.583 1.00 0.00 N ATOM 938 CA PHE A 62 -2.318 -12.587 2.477 1.00 0.00 C ATOM 939 C PHE A 62 -1.371 -13.690 2.894 1.00 0.00 C ATOM 940 O PHE A 62 -1.409 -14.757 2.307 1.00 0.00 O ATOM 941 CB PHE A 62 -1.570 -11.423 1.837 1.00 0.00 C ATOM 942 CG PHE A 62 -1.461 -11.577 0.352 1.00 0.00 C ATOM 943 CD1 PHE A 62 -2.488 -11.165 -0.485 1.00 0.00 C ATOM 944 CD2 PHE A 62 -0.344 -12.156 -0.204 1.00 0.00 C ATOM 945 CE1 PHE A 62 -2.392 -11.328 -1.853 1.00 0.00 C ATOM 946 CE2 PHE A 62 -0.239 -12.327 -1.569 1.00 0.00 C ATOM 947 CZ PHE A 62 -1.265 -11.912 -2.397 1.00 0.00 C ATOM 0 H PHE A 62 -3.108 -11.149 3.759 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.985 -12.996 1.718 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.084 -10.490 2.068 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.572 -11.352 2.269 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.372 -10.712 -0.062 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.462 -12.481 0.437 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.196 -11.000 -2.495 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.644 -12.785 -1.990 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.186 -12.044 -3.466 1.00 0.00 H new ATOM 957 N LYS A 63 -0.579 -13.468 3.947 1.00 0.00 N ATOM 958 CA LYS A 63 0.329 -14.533 4.453 1.00 0.00 C ATOM 959 C LYS A 63 -0.426 -15.843 4.710 1.00 0.00 C ATOM 960 O LYS A 63 0.116 -16.932 4.504 1.00 0.00 O ATOM 961 CB LYS A 63 1.138 -14.141 5.724 1.00 0.00 C ATOM 962 CG LYS A 63 0.828 -12.789 6.340 1.00 0.00 C ATOM 963 CD LYS A 63 1.687 -11.689 5.739 1.00 0.00 C ATOM 964 CE LYS A 63 2.609 -11.062 6.783 1.00 0.00 C ATOM 965 NZ LYS A 63 3.840 -10.507 6.174 1.00 0.00 N ATOM 0 H LYS A 63 -0.538 -12.589 4.463 1.00 0.00 H new ATOM 0 HA LYS A 63 1.054 -14.674 3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.972 -14.906 6.482 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.198 -14.165 5.473 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.225 -12.553 6.188 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.993 -12.833 7.417 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.284 -12.097 4.924 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.046 -10.919 5.310 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.076 -10.270 7.309 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.879 -11.812 7.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.096 -9.621 6.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.616 -11.192 6.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.674 -10.319 5.165 1.00 0.00 H new ATOM 979 N ILE A 64 -1.689 -15.742 5.117 1.00 0.00 N ATOM 980 CA ILE A 64 -2.518 -16.915 5.340 1.00 0.00 C ATOM 981 C ILE A 64 -2.822 -17.572 4.002 1.00 0.00 C ATOM 982 O ILE A 64 -2.570 -18.762 3.815 1.00 0.00 O ATOM 983 CB ILE A 64 -3.870 -16.565 6.053 1.00 0.00 C ATOM 984 CG1 ILE A 64 -3.657 -15.594 7.221 1.00 0.00 C ATOM 985 CG2 ILE A 64 -4.566 -17.818 6.539 1.00 0.00 C ATOM 986 CD1 ILE A 64 -4.895 -15.370 8.056 1.00 0.00 C ATOM 0 H ILE A 64 -2.158 -14.855 5.299 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.963 -17.590 5.992 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.505 -16.074 5.316 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.862 -15.978 7.861 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.316 -14.636 6.828 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.501 -17.548 7.030 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.776 -18.470 5.691 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.922 -18.340 7.247 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.669 -14.673 8.863 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.686 -14.957 7.430 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.225 -16.319 8.479 1.00 0.00 H new ATOM 998 N LYS A 65 -3.360 -16.789 3.071 1.00 0.00 N ATOM 999 CA LYS A 65 -3.716 -17.315 1.749 1.00 0.00 C ATOM 1000 C LYS A 65 -2.486 -17.738 0.923 1.00 0.00 C ATOM 1001 O LYS A 65 -2.506 -18.787 0.278 1.00 0.00 O ATOM 1002 CB LYS A 65 -4.639 -16.361 0.926 1.00 0.00 C ATOM 1003 CG LYS A 65 -4.647 -14.894 1.371 1.00 0.00 C ATOM 1004 CD LYS A 65 -4.935 -13.943 0.212 1.00 0.00 C ATOM 1005 CE LYS A 65 -5.300 -12.533 0.702 1.00 0.00 C ATOM 1006 NZ LYS A 65 -6.550 -12.500 1.506 1.00 0.00 N ATOM 0 H LYS A 65 -3.559 -15.797 3.201 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.298 -18.213 1.958 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.333 -16.402 -0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.659 -16.742 0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.399 -14.756 2.148 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.682 -14.645 1.813 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.061 -13.887 -0.437 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.753 -14.341 -0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.479 -12.139 1.301 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.411 -11.873 -0.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.293 -12.006 0.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.858 -13.472 1.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.375 -11.998 2.400 1.00 0.00 H new ATOM 1020 N TYR A 66 -1.443 -16.921 0.923 1.00 0.00 N ATOM 1021 CA TYR A 66 -0.238 -17.198 0.148 1.00 0.00 C ATOM 1022 C TYR A 66 0.964 -17.432 1.065 1.00 0.00 C ATOM 1023 O TYR A 66 1.388 -16.527 1.776 1.00 0.00 O ATOM 1024 CB TYR A 66 0.047 -16.035 -0.811 1.00 0.00 C ATOM 1025 CG TYR A 66 0.978 -16.377 -1.956 1.00 0.00 C ATOM 1026 CD1 TYR A 66 0.781 -17.508 -2.746 1.00 0.00 C ATOM 1027 CD2 TYR A 66 2.054 -15.563 -2.248 1.00 0.00 C ATOM 1028 CE1 TYR A 66 1.636 -17.805 -3.783 1.00 0.00 C ATOM 1029 CE2 TYR A 66 2.908 -15.851 -3.279 1.00 0.00 C ATOM 1030 CZ TYR A 66 2.701 -16.972 -4.047 1.00 0.00 C ATOM 1031 OH TYR A 66 3.564 -17.258 -5.081 1.00 0.00 O ATOM 0 H TYR A 66 -1.406 -16.052 1.456 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.405 -18.107 -0.430 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.898 -15.680 -1.222 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.478 -15.210 -0.243 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.055 -18.161 -2.542 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.226 -14.680 -1.650 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.473 -18.686 -4.386 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.743 -15.198 -3.488 1.00 0.00 H new ATOM 0 HH TYR A 66 4.258 -16.567 -5.129 1.00 0.00 H new ATOM 1041 N PRO A 67 1.530 -18.666 1.071 1.00 0.00 N ATOM 1042 CA PRO A 67 2.691 -19.023 1.935 1.00 0.00 C ATOM 1043 C PRO A 67 4.016 -18.355 1.517 1.00 0.00 C ATOM 1044 O PRO A 67 4.940 -18.243 2.329 1.00 0.00 O ATOM 1045 CB PRO A 67 2.809 -20.537 1.749 1.00 0.00 C ATOM 1046 CG PRO A 67 2.209 -20.800 0.406 1.00 0.00 C ATOM 1047 CD PRO A 67 1.075 -19.830 0.265 1.00 0.00 C ATOM 0 HA PRO A 67 2.525 -18.689 2.959 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.849 -20.861 1.789 1.00 0.00 H new ATOM 0 HB3 PRO A 67 2.277 -21.075 2.533 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.945 -20.658 -0.385 1.00 0.00 H new ATOM 0 HG3 PRO A 67 1.855 -21.828 0.331 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.904 -19.558 -0.776 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.140 -20.243 0.644 1.00 0.00 H new ATOM 1055 N ASP A 68 4.130 -17.991 0.238 1.00 0.00 N ATOM 1056 CA ASP A 68 5.363 -17.408 -0.313 1.00 0.00 C ATOM 1057 C ASP A 68 5.206 -15.915 -0.601 1.00 0.00 C ATOM 1058 O ASP A 68 5.929 -15.344 -1.436 1.00 0.00 O ATOM 1059 CB ASP A 68 5.753 -18.148 -1.577 1.00 0.00 C ATOM 1060 CG ASP A 68 7.026 -18.920 -1.411 1.00 0.00 C ATOM 1061 OD1 ASP A 68 6.996 -19.968 -0.767 1.00 0.00 O ATOM 1062 OD2 ASP A 68 8.057 -18.479 -1.920 1.00 0.00 O ATOM 0 H ASP A 68 3.378 -18.090 -0.444 1.00 0.00 H new ATOM 0 HA ASP A 68 6.150 -17.514 0.433 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.951 -18.830 -1.859 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.867 -17.435 -2.393 1.00 0.00 H new ATOM 1067 N ASP A 69 4.257 -15.287 0.077 1.00 0.00 N ATOM 1068 CA ASP A 69 3.972 -13.877 -0.083 1.00 0.00 C ATOM 1069 C ASP A 69 5.076 -12.992 0.433 1.00 0.00 C ATOM 1070 O ASP A 69 5.034 -11.781 0.228 1.00 0.00 O ATOM 1071 CB ASP A 69 2.648 -13.512 0.583 1.00 0.00 C ATOM 1072 CG ASP A 69 2.763 -12.987 2.014 1.00 0.00 C ATOM 1073 OD1 ASP A 69 3.492 -13.587 2.829 1.00 0.00 O ATOM 1074 OD2 ASP A 69 2.129 -11.971 2.321 1.00 0.00 O ATOM 0 H ASP A 69 3.659 -15.751 0.760 1.00 0.00 H new ATOM 0 HA ASP A 69 3.897 -13.699 -1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.150 -12.757 -0.025 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.006 -14.393 0.587 1.00 0.00 H new ATOM 1079 N GLY A 70 6.012 -13.582 1.148 1.00 0.00 N ATOM 1080 CA GLY A 70 7.084 -12.864 1.755 1.00 0.00 C ATOM 1081 C GLY A 70 7.672 -11.748 0.897 1.00 0.00 C ATOM 1082 O GLY A 70 8.006 -10.691 1.419 1.00 0.00 O ATOM 0 H GLY A 70 6.039 -14.587 1.319 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.731 -12.435 2.693 1.00 0.00 H new ATOM 0 HA3 GLY A 70 7.878 -13.567 2.006 1.00 0.00 H new ATOM 1086 N ASP A 71 7.735 -11.957 -0.431 1.00 0.00 N ATOM 1087 CA ASP A 71 8.272 -10.927 -1.356 1.00 0.00 C ATOM 1088 C ASP A 71 7.330 -9.740 -1.456 1.00 0.00 C ATOM 1089 O ASP A 71 7.761 -8.582 -1.369 1.00 0.00 O ATOM 1090 CB ASP A 71 8.527 -11.503 -2.756 1.00 0.00 C ATOM 1091 CG ASP A 71 9.960 -11.826 -3.005 1.00 0.00 C ATOM 1092 OD1 ASP A 71 10.698 -10.951 -3.475 1.00 0.00 O ATOM 1093 OD2 ASP A 71 10.361 -12.963 -2.743 1.00 0.00 O ATOM 0 H ASP A 71 7.427 -12.815 -0.888 1.00 0.00 H new ATOM 0 HA ASP A 71 9.223 -10.592 -0.942 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.930 -12.406 -2.885 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.187 -10.787 -3.504 1.00 0.00 H new ATOM 1098 N LEU A 72 6.044 -10.027 -1.623 1.00 0.00 N ATOM 1099 CA LEU A 72 5.020 -8.979 -1.669 1.00 0.00 C ATOM 1100 C LEU A 72 4.865 -8.390 -0.285 1.00 0.00 C ATOM 1101 O LEU A 72 4.844 -7.178 -0.123 1.00 0.00 O ATOM 1102 CB LEU A 72 3.671 -9.551 -2.136 1.00 0.00 C ATOM 1103 CG LEU A 72 2.592 -8.531 -2.596 1.00 0.00 C ATOM 1104 CD1 LEU A 72 3.135 -7.523 -3.606 1.00 0.00 C ATOM 1105 CD2 LEU A 72 1.383 -9.253 -3.168 1.00 0.00 C ATOM 0 H LEU A 72 5.682 -10.975 -1.729 1.00 0.00 H new ATOM 0 HA LEU A 72 5.330 -8.211 -2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.862 -10.237 -2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.253 -10.141 -1.321 1.00 0.00 H new ATOM 0 HG LEU A 72 2.289 -7.970 -1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.341 -6.834 -3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.956 -6.964 -3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.496 -8.051 -4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.639 -8.522 -3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.689 -9.853 -4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.953 -9.902 -2.406 1.00 0.00 H new ATOM 1117 N SER A 73 4.806 -9.269 0.711 1.00 0.00 N ATOM 1118 CA SER A 73 4.679 -8.883 2.105 1.00 0.00 C ATOM 1119 C SER A 73 5.747 -7.869 2.480 1.00 0.00 C ATOM 1120 O SER A 73 5.433 -6.735 2.808 1.00 0.00 O ATOM 1121 CB SER A 73 4.782 -10.124 3.014 1.00 0.00 C ATOM 1122 OG SER A 73 3.579 -10.330 3.752 1.00 0.00 O ATOM 0 H SER A 73 4.846 -10.278 0.567 1.00 0.00 H new ATOM 0 HA SER A 73 3.701 -8.423 2.246 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.994 -11.005 2.407 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.618 -10.003 3.704 1.00 0.00 H new ATOM 0 HG SER A 73 2.879 -10.660 3.151 1.00 0.00 H new ATOM 1128 N GLU A 74 7.004 -8.278 2.372 1.00 0.00 N ATOM 1129 CA GLU A 74 8.133 -7.433 2.684 1.00 0.00 C ATOM 1130 C GLU A 74 8.062 -6.067 1.980 1.00 0.00 C ATOM 1131 O GLU A 74 8.238 -5.011 2.621 1.00 0.00 O ATOM 1132 CB GLU A 74 9.415 -8.199 2.397 1.00 0.00 C ATOM 1133 CG GLU A 74 9.973 -7.953 1.071 1.00 0.00 C ATOM 1134 CD GLU A 74 11.194 -8.753 0.804 1.00 0.00 C ATOM 1135 OE1 GLU A 74 11.065 -9.896 0.370 1.00 0.00 O ATOM 1136 OE2 GLU A 74 12.291 -8.259 1.054 1.00 0.00 O ATOM 0 H GLU A 74 7.264 -9.215 2.062 1.00 0.00 H new ATOM 0 HA GLU A 74 8.114 -7.186 3.745 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.160 -7.934 3.148 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.220 -9.266 2.505 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.221 -8.184 0.317 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.209 -6.894 0.972 1.00 0.00 H new ATOM 1143 N LEU A 75 7.755 -6.101 0.688 1.00 0.00 N ATOM 1144 CA LEU A 75 7.614 -4.897 -0.127 1.00 0.00 C ATOM 1145 C LEU A 75 6.433 -4.058 0.360 1.00 0.00 C ATOM 1146 O LEU A 75 6.584 -2.853 0.632 1.00 0.00 O ATOM 1147 CB LEU A 75 7.437 -5.274 -1.615 1.00 0.00 C ATOM 1148 CG LEU A 75 7.708 -4.175 -2.676 1.00 0.00 C ATOM 1149 CD1 LEU A 75 8.584 -3.056 -2.142 1.00 0.00 C ATOM 1150 CD2 LEU A 75 8.332 -4.778 -3.918 1.00 0.00 C ATOM 0 H LEU A 75 7.596 -6.967 0.173 1.00 0.00 H new ATOM 0 HA LEU A 75 8.521 -4.301 -0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.096 -6.115 -1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.415 -5.627 -1.752 1.00 0.00 H new ATOM 0 HG LEU A 75 6.743 -3.737 -2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.743 -2.314 -2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.094 -2.586 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.545 -3.464 -1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.515 -3.993 -4.651 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.276 -5.256 -3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.655 -5.520 -4.342 1.00 0.00 H new ATOM 1162 N VAL A 76 5.261 -4.696 0.500 1.00 0.00 N ATOM 1163 CA VAL A 76 4.071 -4.010 0.998 1.00 0.00 C ATOM 1164 C VAL A 76 4.355 -3.431 2.387 1.00 0.00 C ATOM 1165 O VAL A 76 4.125 -2.252 2.616 1.00 0.00 O ATOM 1166 CB VAL A 76 2.814 -4.950 1.060 1.00 0.00 C ATOM 1167 CG1 VAL A 76 1.643 -4.262 1.754 1.00 0.00 C ATOM 1168 CG2 VAL A 76 2.390 -5.403 -0.333 1.00 0.00 C ATOM 0 H VAL A 76 5.118 -5.681 0.275 1.00 0.00 H new ATOM 0 HA VAL A 76 3.839 -3.210 0.295 1.00 0.00 H new ATOM 0 HB VAL A 76 3.100 -5.827 1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.788 -4.938 1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.928 -3.997 2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.374 -3.359 1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.518 -6.052 -0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.141 -4.532 -0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.208 -5.950 -0.803 1.00 0.00 H new ATOM 1178 N GLU A 77 4.892 -4.263 3.283 1.00 0.00 N ATOM 1179 CA GLU A 77 5.238 -3.843 4.640 1.00 0.00 C ATOM 1180 C GLU A 77 6.164 -2.620 4.612 1.00 0.00 C ATOM 1181 O GLU A 77 5.900 -1.625 5.312 1.00 0.00 O ATOM 1182 CB GLU A 77 5.855 -5.012 5.433 1.00 0.00 C ATOM 1183 CG GLU A 77 4.868 -6.172 5.684 1.00 0.00 C ATOM 1184 CD GLU A 77 5.489 -7.400 6.316 1.00 0.00 C ATOM 1185 OE1 GLU A 77 6.701 -7.612 6.177 1.00 0.00 O ATOM 1186 OE2 GLU A 77 4.753 -8.166 6.962 1.00 0.00 O ATOM 0 H GLU A 77 5.098 -5.243 3.088 1.00 0.00 H new ATOM 0 HA GLU A 77 4.324 -3.547 5.155 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.721 -5.392 4.890 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.218 -4.640 6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.064 -5.815 6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.414 -6.458 4.735 1.00 0.00 H new ATOM 1193 N GLU A 78 7.196 -2.660 3.750 1.00 0.00 N ATOM 1194 CA GLU A 78 8.098 -1.511 3.563 1.00 0.00 C ATOM 1195 C GLU A 78 7.272 -0.290 3.167 1.00 0.00 C ATOM 1196 O GLU A 78 7.292 0.741 3.845 1.00 0.00 O ATOM 1197 CB GLU A 78 9.135 -1.805 2.456 1.00 0.00 C ATOM 1198 CG GLU A 78 10.511 -2.170 2.971 1.00 0.00 C ATOM 1199 CD GLU A 78 11.602 -1.351 2.359 1.00 0.00 C ATOM 1200 OE1 GLU A 78 11.688 -1.297 1.127 1.00 0.00 O ATOM 1201 OE2 GLU A 78 12.367 -0.744 3.097 1.00 0.00 O ATOM 0 H GLU A 78 7.425 -3.471 3.175 1.00 0.00 H new ATOM 0 HA GLU A 78 8.629 -1.323 4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.764 -2.621 1.835 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.221 -0.929 1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.533 -2.043 4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.700 -3.225 2.770 1.00 0.00 H new ATOM 1208 N TYR A 79 6.515 -0.455 2.085 1.00 0.00 N ATOM 1209 CA TYR A 79 5.625 0.573 1.553 1.00 0.00 C ATOM 1210 C TYR A 79 4.662 1.096 2.646 1.00 0.00 C ATOM 1211 O TYR A 79 4.451 2.318 2.773 1.00 0.00 O ATOM 1212 CB TYR A 79 4.881 -0.010 0.329 1.00 0.00 C ATOM 1213 CG TYR A 79 3.529 0.561 0.021 1.00 0.00 C ATOM 1214 CD1 TYR A 79 3.312 1.922 0.007 1.00 0.00 C ATOM 1215 CD2 TYR A 79 2.468 -0.278 -0.281 1.00 0.00 C ATOM 1216 CE1 TYR A 79 2.085 2.431 -0.287 1.00 0.00 C ATOM 1217 CE2 TYR A 79 1.236 0.227 -0.588 1.00 0.00 C ATOM 1218 CZ TYR A 79 1.050 1.584 -0.588 1.00 0.00 C ATOM 1219 OH TYR A 79 -0.180 2.116 -0.916 1.00 0.00 O ATOM 0 H TYR A 79 6.503 -1.320 1.545 1.00 0.00 H new ATOM 0 HA TYR A 79 6.201 1.439 1.228 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.514 0.125 -0.548 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.769 -1.084 0.480 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.127 2.594 0.233 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.617 -1.348 -0.274 1.00 0.00 H new ATOM 0 HE1 TYR A 79 1.927 3.499 -0.283 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.418 -0.436 -0.828 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.872 1.715 -0.349 1.00 0.00 H new ATOM 1229 N LEU A 80 4.102 0.184 3.440 1.00 0.00 N ATOM 1230 CA LEU A 80 3.220 0.555 4.547 1.00 0.00 C ATOM 1231 C LEU A 80 3.955 1.485 5.480 1.00 0.00 C ATOM 1232 O LEU A 80 3.499 2.605 5.747 1.00 0.00 O ATOM 1233 CB LEU A 80 2.765 -0.692 5.309 1.00 0.00 C ATOM 1234 CG LEU A 80 1.773 -1.569 4.564 1.00 0.00 C ATOM 1235 CD1 LEU A 80 1.437 -2.807 5.364 1.00 0.00 C ATOM 1236 CD2 LEU A 80 0.535 -0.773 4.254 1.00 0.00 C ATOM 0 H LEU A 80 4.244 -0.821 3.337 1.00 0.00 H new ATOM 0 HA LEU A 80 2.339 1.057 4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.642 -1.290 5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.316 -0.380 6.252 1.00 0.00 H new ATOM 0 HG LEU A 80 2.224 -1.900 3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.725 -3.417 4.808 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.345 -3.382 5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.998 -2.516 6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.177 -1.401 3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.085 -0.424 5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.799 0.084 3.634 1.00 0.00 H new ATOM 1248 N ASP A 81 5.135 1.038 5.903 1.00 0.00 N ATOM 1249 CA ASP A 81 6.041 1.831 6.754 1.00 0.00 C ATOM 1250 C ASP A 81 6.267 3.194 6.146 1.00 0.00 C ATOM 1251 O ASP A 81 6.120 4.213 6.822 1.00 0.00 O ATOM 1252 CB ASP A 81 7.393 1.145 6.900 1.00 0.00 C ATOM 1253 CG ASP A 81 8.147 1.600 8.113 1.00 0.00 C ATOM 1254 OD1 ASP A 81 7.604 1.524 9.218 1.00 0.00 O ATOM 1255 OD2 ASP A 81 9.290 2.032 7.968 1.00 0.00 O ATOM 0 H ASP A 81 5.498 0.114 5.669 1.00 0.00 H new ATOM 0 HA ASP A 81 5.572 1.925 7.734 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.244 0.067 6.954 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.992 1.340 6.011 1.00 0.00 H new ATOM 1260 N ASP A 82 6.636 3.211 4.857 1.00 0.00 N ATOM 1261 CA ASP A 82 6.861 4.480 4.129 1.00 0.00 C ATOM 1262 C ASP A 82 5.648 5.379 4.299 1.00 0.00 C ATOM 1263 O ASP A 82 5.759 6.495 4.822 1.00 0.00 O ATOM 1264 CB ASP A 82 7.103 4.248 2.623 1.00 0.00 C ATOM 1265 CG ASP A 82 8.405 3.583 2.328 1.00 0.00 C ATOM 1266 OD1 ASP A 82 9.462 4.166 2.593 1.00 0.00 O ATOM 1267 OD2 ASP A 82 8.385 2.466 1.810 1.00 0.00 O ATOM 0 H ASP A 82 6.785 2.372 4.297 1.00 0.00 H new ATOM 0 HA ASP A 82 7.752 4.947 4.547 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.293 3.639 2.222 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.067 5.206 2.105 1.00 0.00 H new ATOM 1272 N THR A 83 4.470 4.854 3.923 1.00 0.00 N ATOM 1273 CA THR A 83 3.207 5.582 4.093 1.00 0.00 C ATOM 1274 C THR A 83 3.055 6.053 5.537 1.00 0.00 C ATOM 1275 O THR A 83 2.810 7.243 5.795 1.00 0.00 O ATOM 1276 CB THR A 83 1.979 4.719 3.723 1.00 0.00 C ATOM 1277 OG1 THR A 83 2.260 3.783 2.662 1.00 0.00 O ATOM 1278 CG2 THR A 83 0.799 5.559 3.288 1.00 0.00 C ATOM 0 H THR A 83 4.369 3.931 3.501 1.00 0.00 H new ATOM 0 HA THR A 83 3.245 6.436 3.417 1.00 0.00 H new ATOM 0 HB THR A 83 1.735 4.177 4.637 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.835 3.066 3.002 1.00 0.00 H new ATOM 0 HG21 THR A 83 -0.039 4.908 3.038 1.00 0.00 H new ATOM 0 HG22 THR A 83 0.510 6.228 4.099 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.074 6.148 2.413 1.00 0.00 H new ATOM 1286 N TYR A 84 3.190 5.105 6.470 1.00 0.00 N ATOM 1287 CA TYR A 84 3.070 5.385 7.879 1.00 0.00 C ATOM 1288 C TYR A 84 4.010 6.518 8.276 1.00 0.00 C ATOM 1289 O TYR A 84 3.564 7.528 8.800 1.00 0.00 O ATOM 1290 CB TYR A 84 3.354 4.121 8.704 1.00 0.00 C ATOM 1291 CG TYR A 84 3.260 4.344 10.181 1.00 0.00 C ATOM 1292 CD1 TYR A 84 2.063 4.175 10.848 1.00 0.00 C ATOM 1293 CD2 TYR A 84 4.367 4.739 10.905 1.00 0.00 C ATOM 1294 CE1 TYR A 84 1.969 4.390 12.201 1.00 0.00 C ATOM 1295 CE2 TYR A 84 4.288 4.957 12.254 1.00 0.00 C ATOM 1296 CZ TYR A 84 3.087 4.783 12.899 1.00 0.00 C ATOM 1297 OH TYR A 84 3.006 5.002 14.245 1.00 0.00 O ATOM 0 H TYR A 84 3.385 4.127 6.256 1.00 0.00 H new ATOM 0 HA TYR A 84 2.048 5.702 8.087 1.00 0.00 H new ATOM 0 HB2 TYR A 84 2.649 3.341 8.416 1.00 0.00 H new ATOM 0 HB3 TYR A 84 4.351 3.754 8.462 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.186 3.869 10.297 1.00 0.00 H new ATOM 0 HD2 TYR A 84 5.311 4.878 10.399 1.00 0.00 H new ATOM 0 HE1 TYR A 84 1.027 4.252 12.711 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.163 5.264 12.808 1.00 0.00 H new ATOM 0 HH TYR A 84 3.884 5.273 14.586 1.00 0.00 H new ATOM 1307 N THR A 85 5.295 6.359 7.988 1.00 0.00 N ATOM 1308 CA THR A 85 6.304 7.382 8.286 1.00 0.00 C ATOM 1309 C THR A 85 5.937 8.730 7.627 1.00 0.00 C ATOM 1310 O THR A 85 5.998 9.790 8.281 1.00 0.00 O ATOM 1311 CB THR A 85 7.703 6.902 7.839 1.00 0.00 C ATOM 1312 OG1 THR A 85 7.901 5.529 8.176 1.00 0.00 O ATOM 1313 CG2 THR A 85 8.842 7.684 8.459 1.00 0.00 C ATOM 0 H THR A 85 5.672 5.522 7.543 1.00 0.00 H new ATOM 0 HA THR A 85 6.327 7.541 9.364 1.00 0.00 H new ATOM 0 HB THR A 85 7.720 7.057 6.760 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.553 4.962 7.456 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.792 7.290 8.099 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.756 8.734 8.181 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.799 7.591 9.544 1.00 0.00 H new ATOM 1321 N LEU A 86 5.518 8.683 6.350 1.00 0.00 N ATOM 1322 CA LEU A 86 5.094 9.887 5.611 1.00 0.00 C ATOM 1323 C LEU A 86 4.010 10.615 6.374 1.00 0.00 C ATOM 1324 O LEU A 86 4.230 11.710 6.871 1.00 0.00 O ATOM 1325 CB LEU A 86 4.538 9.511 4.231 1.00 0.00 C ATOM 1326 CG LEU A 86 5.304 10.000 2.963 1.00 0.00 C ATOM 1327 CD1 LEU A 86 6.367 11.050 3.274 1.00 0.00 C ATOM 1328 CD2 LEU A 86 5.903 8.837 2.201 1.00 0.00 C ATOM 0 H LEU A 86 5.464 7.822 5.806 1.00 0.00 H new ATOM 0 HA LEU A 86 5.968 10.527 5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.477 8.424 4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.518 9.891 4.170 1.00 0.00 H new ATOM 0 HG LEU A 86 4.562 10.486 2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.864 11.349 2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.896 11.920 3.731 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.101 10.632 3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.430 9.210 1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.602 8.302 2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.109 8.160 1.887 1.00 0.00 H new ATOM 1340 N PHE A 87 2.835 9.980 6.475 1.00 0.00 N ATOM 1341 CA PHE A 87 1.694 10.571 7.178 1.00 0.00 C ATOM 1342 C PHE A 87 1.977 10.791 8.657 1.00 0.00 C ATOM 1343 O PHE A 87 1.338 11.627 9.289 1.00 0.00 O ATOM 1344 CB PHE A 87 0.421 9.752 6.956 1.00 0.00 C ATOM 1345 CG PHE A 87 -0.015 9.749 5.513 1.00 0.00 C ATOM 1346 CD1 PHE A 87 -0.184 10.943 4.822 1.00 0.00 C ATOM 1347 CD2 PHE A 87 -0.228 8.561 4.840 1.00 0.00 C ATOM 1348 CE1 PHE A 87 -0.558 10.946 3.499 1.00 0.00 C ATOM 1349 CE2 PHE A 87 -0.598 8.561 3.510 1.00 0.00 C ATOM 1350 CZ PHE A 87 -0.764 9.754 2.840 1.00 0.00 C ATOM 0 H PHE A 87 2.652 9.058 6.079 1.00 0.00 H new ATOM 0 HA PHE A 87 1.529 11.558 6.747 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.590 8.726 7.284 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.381 10.156 7.574 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.019 11.881 5.331 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.104 7.623 5.360 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.690 11.882 2.977 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.757 7.626 2.994 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.055 9.754 1.800 1.00 0.00 H new ATOM 1360 N SER A 88 2.975 10.090 9.192 1.00 0.00 N ATOM 1361 CA SER A 88 3.405 10.305 10.560 1.00 0.00 C ATOM 1362 C SER A 88 4.178 11.635 10.662 1.00 0.00 C ATOM 1363 O SER A 88 4.157 12.302 11.708 1.00 0.00 O ATOM 1364 CB SER A 88 4.287 9.164 11.009 1.00 0.00 C ATOM 1365 OG SER A 88 3.518 8.004 11.326 1.00 0.00 O ATOM 0 H SER A 88 3.497 9.369 8.694 1.00 0.00 H new ATOM 0 HA SER A 88 2.528 10.351 11.205 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.002 8.924 10.222 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.864 9.470 11.882 1.00 0.00 H new ATOM 0 HG SER A 88 3.118 7.643 10.507 1.00 0.00 H new ATOM 1371 N SER A 89 4.837 12.021 9.570 1.00 0.00 N ATOM 1372 CA SER A 89 5.582 13.259 9.499 1.00 0.00 C ATOM 1373 C SER A 89 4.632 14.416 9.192 1.00 0.00 C ATOM 1374 O SER A 89 3.926 14.392 8.180 1.00 0.00 O ATOM 1375 CB SER A 89 6.671 13.149 8.419 1.00 0.00 C ATOM 1376 OG SER A 89 7.501 11.981 8.638 1.00 0.00 O ATOM 0 H SER A 89 4.864 11.474 8.709 1.00 0.00 H new ATOM 0 HA SER A 89 6.063 13.450 10.458 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.207 13.091 7.434 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.290 14.046 8.428 1.00 0.00 H new ATOM 0 HG SER A 89 7.014 11.177 8.360 1.00 0.00 H new ATOM 1382 N TYR A 90 4.616 15.423 10.069 1.00 0.00 N ATOM 1383 CA TYR A 90 3.749 16.596 9.885 1.00 0.00 C ATOM 1384 C TYR A 90 4.026 17.294 8.554 1.00 0.00 C ATOM 1385 O TYR A 90 3.127 17.867 7.953 1.00 0.00 O ATOM 1386 CB TYR A 90 3.884 17.587 11.050 1.00 0.00 C ATOM 1387 CG TYR A 90 2.557 18.076 11.590 1.00 0.00 C ATOM 1388 CD1 TYR A 90 1.575 17.186 12.006 1.00 0.00 C ATOM 1389 CD2 TYR A 90 2.287 19.423 11.678 1.00 0.00 C ATOM 1390 CE1 TYR A 90 0.366 17.635 12.492 1.00 0.00 C ATOM 1391 CE2 TYR A 90 1.085 19.880 12.162 1.00 0.00 C ATOM 1392 CZ TYR A 90 0.128 18.986 12.566 1.00 0.00 C ATOM 1393 OH TYR A 90 -1.074 19.457 13.050 1.00 0.00 O ATOM 0 H TYR A 90 5.190 15.453 10.911 1.00 0.00 H new ATOM 0 HA TYR A 90 2.722 16.232 9.869 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.442 17.112 11.857 1.00 0.00 H new ATOM 0 HB3 TYR A 90 4.470 18.445 10.720 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.762 16.124 11.948 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.035 20.135 11.360 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.388 16.931 12.812 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.895 20.941 12.224 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.745 18.743 13.011 1.00 0.00 H new ATOM 1403 N GLY A 91 5.256 17.223 8.077 1.00 0.00 N ATOM 1404 CA GLY A 91 5.569 17.803 6.797 1.00 0.00 C ATOM 1405 C GLY A 91 5.987 16.745 5.822 1.00 0.00 C ATOM 1406 O GLY A 91 6.898 15.961 6.108 1.00 0.00 O ATOM 0 H GLY A 91 6.039 16.775 8.553 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.700 18.336 6.412 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.368 18.536 6.910 1.00 0.00 H new ATOM 1410 N ILE A 92 5.342 16.711 4.667 1.00 0.00 N ATOM 1411 CA ILE A 92 5.693 15.742 3.643 1.00 0.00 C ATOM 1412 C ILE A 92 6.897 16.244 2.879 1.00 0.00 C ATOM 1413 O ILE A 92 6.943 17.426 2.495 1.00 0.00 O ATOM 1414 CB ILE A 92 4.527 15.463 2.664 1.00 0.00 C ATOM 1415 CG1 ILE A 92 3.271 15.084 3.439 1.00 0.00 C ATOM 1416 CG2 ILE A 92 4.895 14.331 1.707 1.00 0.00 C ATOM 1417 CD1 ILE A 92 3.456 13.910 4.384 1.00 0.00 C ATOM 0 H ILE A 92 4.578 17.339 4.417 1.00 0.00 H new ATOM 0 HA ILE A 92 5.921 14.800 4.141 1.00 0.00 H new ATOM 0 HB ILE A 92 4.337 16.369 2.088 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.936 15.949 4.012 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.478 14.845 2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.065 14.147 1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.779 14.611 1.135 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.104 13.426 2.277 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.516 13.704 4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.760 13.030 3.816 1.00 0.00 H new ATOM 0 HD13 ILE A 92 4.225 14.151 5.118 1.00 0.00 H new ATOM 1429 N ASN A 93 7.882 15.381 2.683 1.00 0.00 N ATOM 1430 CA ASN A 93 9.110 15.770 1.988 1.00 0.00 C ATOM 1431 C ASN A 93 9.374 14.877 0.793 1.00 0.00 C ATOM 1432 O ASN A 93 8.801 13.780 0.686 1.00 0.00 O ATOM 1433 CB ASN A 93 10.311 15.777 2.942 1.00 0.00 C ATOM 1434 CG ASN A 93 10.016 16.522 4.232 1.00 0.00 C ATOM 1435 OD1 ASN A 93 10.150 17.743 4.305 1.00 0.00 O ATOM 1436 ND2 ASN A 93 9.620 15.797 5.258 1.00 0.00 N ATOM 0 H ASN A 93 7.860 14.409 2.992 1.00 0.00 H new ATOM 0 HA ASN A 93 8.969 16.786 1.620 1.00 0.00 H new ATOM 0 HB2 ASN A 93 10.594 14.750 3.174 1.00 0.00 H new ATOM 0 HB3 ASN A 93 11.164 16.238 2.445 1.00 0.00 H new ATOM 0 HD21 ASN A 93 9.413 16.246 6.150 1.00 0.00 H new ATOM 0 HD22 ASN A 93 9.520 14.787 5.160 1.00 0.00 H new ATOM 1443 N ASP A 94 10.197 15.375 -0.134 1.00 0.00 N ATOM 1444 CA ASP A 94 10.502 14.677 -1.393 1.00 0.00 C ATOM 1445 C ASP A 94 11.050 13.267 -1.188 1.00 0.00 C ATOM 1446 O ASP A 94 10.445 12.315 -1.650 1.00 0.00 O ATOM 1447 CB ASP A 94 11.470 15.489 -2.275 1.00 0.00 C ATOM 1448 CG ASP A 94 10.882 15.860 -3.593 1.00 0.00 C ATOM 1449 OD1 ASP A 94 10.441 14.962 -4.331 1.00 0.00 O ATOM 1450 OD2 ASP A 94 10.876 17.048 -3.908 1.00 0.00 O ATOM 0 H ASP A 94 10.672 16.272 -0.036 1.00 0.00 H new ATOM 0 HA ASP A 94 9.545 14.582 -1.905 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.762 16.396 -1.745 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.378 14.909 -2.439 1.00 0.00 H new ATOM 1455 N PRO A 95 12.240 13.111 -0.538 1.00 0.00 N ATOM 1456 CA PRO A 95 12.880 11.790 -0.365 1.00 0.00 C ATOM 1457 C PRO A 95 11.946 10.760 0.257 1.00 0.00 C ATOM 1458 O PRO A 95 11.729 9.686 -0.317 1.00 0.00 O ATOM 1459 CB PRO A 95 14.061 12.078 0.557 1.00 0.00 C ATOM 1460 CG PRO A 95 14.376 13.515 0.326 1.00 0.00 C ATOM 1461 CD PRO A 95 13.070 14.194 0.037 1.00 0.00 C ATOM 0 HA PRO A 95 13.171 11.356 -1.322 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.805 11.891 1.600 1.00 0.00 H new ATOM 0 HB3 PRO A 95 14.914 11.442 0.319 1.00 0.00 H new ATOM 0 HG2 PRO A 95 14.856 13.953 1.201 1.00 0.00 H new ATOM 0 HG3 PRO A 95 15.067 13.632 -0.509 1.00 0.00 H new ATOM 0 HD2 PRO A 95 12.623 14.606 0.942 1.00 0.00 H new ATOM 0 HD3 PRO A 95 13.193 15.021 -0.663 1.00 0.00 H new ATOM 1469 N GLU A 96 11.381 11.099 1.411 1.00 0.00 N ATOM 1470 CA GLU A 96 10.457 10.236 2.114 1.00 0.00 C ATOM 1471 C GLU A 96 9.299 9.820 1.195 1.00 0.00 C ATOM 1472 O GLU A 96 8.978 8.632 1.083 1.00 0.00 O ATOM 1473 CB GLU A 96 9.938 10.950 3.368 1.00 0.00 C ATOM 1474 CG GLU A 96 11.034 11.321 4.374 1.00 0.00 C ATOM 1475 CD GLU A 96 11.510 12.734 4.231 1.00 0.00 C ATOM 1476 OE1 GLU A 96 12.197 13.037 3.247 1.00 0.00 O ATOM 1477 OE2 GLU A 96 11.210 13.541 5.094 1.00 0.00 O ATOM 0 H GLU A 96 11.557 11.987 1.882 1.00 0.00 H new ATOM 0 HA GLU A 96 10.977 9.328 2.420 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.414 11.857 3.066 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.208 10.309 3.862 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.656 11.172 5.385 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.879 10.645 4.247 1.00 0.00 H new ATOM 1484 N LEU A 97 8.712 10.792 0.488 1.00 0.00 N ATOM 1485 CA LEU A 97 7.646 10.481 -0.463 1.00 0.00 C ATOM 1486 C LEU A 97 8.197 9.683 -1.641 1.00 0.00 C ATOM 1487 O LEU A 97 7.549 8.740 -2.118 1.00 0.00 O ATOM 1488 CB LEU A 97 6.945 11.737 -0.961 1.00 0.00 C ATOM 1489 CG LEU A 97 5.845 11.496 -1.997 1.00 0.00 C ATOM 1490 CD1 LEU A 97 4.618 10.876 -1.362 1.00 0.00 C ATOM 1491 CD2 LEU A 97 5.496 12.775 -2.695 1.00 0.00 C ATOM 0 H LEU A 97 8.953 11.781 0.555 1.00 0.00 H new ATOM 0 HA LEU A 97 6.907 9.877 0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 97 6.511 12.256 -0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.691 12.404 -1.394 1.00 0.00 H new ATOM 0 HG LEU A 97 6.225 10.791 -2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.855 10.717 -2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.885 9.920 -0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.230 11.544 -0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.712 12.587 -3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.142 13.503 -1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.379 13.167 -3.200 1.00 0.00 H new ATOM 1503 N GLN A 98 9.384 10.057 -2.126 1.00 0.00 N ATOM 1504 CA GLN A 98 10.003 9.340 -3.220 1.00 0.00 C ATOM 1505 C GLN A 98 10.222 7.882 -2.831 1.00 0.00 C ATOM 1506 O GLN A 98 9.941 6.992 -3.628 1.00 0.00 O ATOM 1507 CB GLN A 98 11.292 10.016 -3.683 1.00 0.00 C ATOM 1508 CG GLN A 98 11.034 11.296 -4.453 1.00 0.00 C ATOM 1509 CD GLN A 98 10.186 11.069 -5.652 1.00 0.00 C ATOM 1510 OE1 GLN A 98 10.549 10.296 -6.548 1.00 0.00 O ATOM 1511 NE2 GLN A 98 9.067 11.704 -5.695 1.00 0.00 N ATOM 0 H GLN A 98 9.924 10.848 -1.775 1.00 0.00 H new ATOM 0 HA GLN A 98 9.327 9.362 -4.075 1.00 0.00 H new ATOM 0 HB2 GLN A 98 11.914 10.237 -2.816 1.00 0.00 H new ATOM 0 HB3 GLN A 98 11.855 9.326 -4.311 1.00 0.00 H new ATOM 0 HG2 GLN A 98 10.548 12.020 -3.799 1.00 0.00 H new ATOM 0 HG3 GLN A 98 11.985 11.731 -4.760 1.00 0.00 H new ATOM 0 HE21 GLN A 98 8.807 12.332 -4.934 1.00 0.00 H new ATOM 0 HE22 GLN A 98 8.440 11.579 -6.490 1.00 0.00 H new ATOM 1520 N ARG A 99 10.617 7.646 -1.561 1.00 0.00 N ATOM 1521 CA ARG A 99 10.713 6.293 -1.005 1.00 0.00 C ATOM 1522 C ARG A 99 9.391 5.574 -1.256 1.00 0.00 C ATOM 1523 O ARG A 99 9.348 4.560 -1.942 1.00 0.00 O ATOM 1524 CB ARG A 99 10.966 6.359 0.519 1.00 0.00 C ATOM 1525 CG ARG A 99 12.351 5.932 0.953 1.00 0.00 C ATOM 1526 CD ARG A 99 12.653 4.496 0.536 1.00 0.00 C ATOM 1527 NE ARG A 99 11.623 3.524 0.979 1.00 0.00 N ATOM 1528 CZ ARG A 99 11.683 2.191 0.742 1.00 0.00 C ATOM 1529 NH1 ARG A 99 12.754 1.666 0.132 1.00 0.00 N ATOM 1530 NH2 ARG A 99 10.690 1.401 1.116 1.00 0.00 N ATOM 0 H ARG A 99 10.874 8.383 -0.905 1.00 0.00 H new ATOM 0 HA ARG A 99 11.538 5.762 -1.479 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.794 7.381 0.857 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.233 5.729 1.022 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.092 6.602 0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 99 12.438 6.023 2.036 1.00 0.00 H new ATOM 0 HD2 ARG A 99 12.741 4.452 -0.550 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.619 4.202 0.946 1.00 0.00 H new ATOM 0 HE ARG A 99 10.819 3.882 1.495 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.525 2.270 -0.154 1.00 0.00 H new ATOM 0 HH12 ARG A 99 12.799 0.663 -0.046 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.874 1.794 1.585 1.00 0.00 H new ATOM 0 HH22 ARG A 99 10.740 0.398 0.935 1.00 0.00 H new ATOM 1544 N TRP A 100 8.306 6.202 -0.782 1.00 0.00 N ATOM 1545 CA TRP A 100 6.935 5.724 -0.997 1.00 0.00 C ATOM 1546 C TRP A 100 6.729 5.337 -2.456 1.00 0.00 C ATOM 1547 O TRP A 100 6.335 4.205 -2.763 1.00 0.00 O ATOM 1548 CB TRP A 100 5.937 6.833 -0.623 1.00 0.00 C ATOM 1549 CG TRP A 100 4.596 6.348 -0.216 1.00 0.00 C ATOM 1550 CD1 TRP A 100 4.333 5.414 0.717 1.00 0.00 C ATOM 1551 CD2 TRP A 100 3.328 6.782 -0.723 1.00 0.00 C ATOM 1552 NE1 TRP A 100 2.991 5.237 0.830 1.00 0.00 N ATOM 1553 CE2 TRP A 100 2.346 6.065 -0.031 1.00 0.00 C ATOM 1554 CE3 TRP A 100 2.930 7.708 -1.687 1.00 0.00 C ATOM 1555 CZ2 TRP A 100 0.988 6.239 -0.264 1.00 0.00 C ATOM 1556 CZ3 TRP A 100 1.577 7.884 -1.923 1.00 0.00 C ATOM 1557 CH2 TRP A 100 0.623 7.151 -1.209 1.00 0.00 C ATOM 0 H TRP A 100 8.356 7.062 -0.235 1.00 0.00 H new ATOM 0 HA TRP A 100 6.769 4.848 -0.369 1.00 0.00 H new ATOM 0 HB2 TRP A 100 6.358 7.422 0.192 1.00 0.00 H new ATOM 0 HB3 TRP A 100 5.823 7.503 -1.475 1.00 0.00 H new ATOM 0 HD1 TRP A 100 5.079 4.884 1.291 1.00 0.00 H new ATOM 0 HE1 TRP A 100 2.537 4.581 1.466 1.00 0.00 H new ATOM 0 HE3 TRP A 100 3.663 8.277 -2.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 0.249 5.673 0.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 1.254 8.596 -2.668 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.426 7.311 -1.411 1.00 0.00 H new ATOM 1568 N GLN A 101 7.003 6.288 -3.353 1.00 0.00 N ATOM 1569 CA GLN A 101 6.857 6.062 -4.792 1.00 0.00 C ATOM 1570 C GLN A 101 7.674 4.839 -5.238 1.00 0.00 C ATOM 1571 O GLN A 101 7.160 3.984 -5.981 1.00 0.00 O ATOM 1572 CB GLN A 101 7.253 7.314 -5.603 1.00 0.00 C ATOM 1573 CG GLN A 101 6.740 8.629 -5.019 1.00 0.00 C ATOM 1574 CD GLN A 101 5.893 9.420 -5.982 1.00 0.00 C ATOM 1575 OE1 GLN A 101 5.964 9.239 -7.203 1.00 0.00 O ATOM 1576 NE2 GLN A 101 5.088 10.289 -5.452 1.00 0.00 N ATOM 0 H GLN A 101 7.328 7.223 -3.107 1.00 0.00 H new ATOM 0 HA GLN A 101 5.804 5.861 -4.990 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.340 7.360 -5.671 1.00 0.00 H new ATOM 0 HB3 GLN A 101 6.874 7.209 -6.620 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.157 8.417 -4.123 1.00 0.00 H new ATOM 0 HG3 GLN A 101 7.590 9.237 -4.710 1.00 0.00 H new ATOM 0 HE21 GLN A 101 5.060 10.407 -4.439 1.00 0.00 H new ATOM 0 HE22 GLN A 101 4.483 10.854 -6.048 1.00 0.00 H new ATOM 1585 N LYS A 102 8.927 4.755 -4.753 1.00 0.00 N ATOM 1586 CA LYS A 102 9.838 3.640 -5.050 1.00 0.00 C ATOM 1587 C LYS A 102 9.263 2.310 -4.591 1.00 0.00 C ATOM 1588 O LYS A 102 9.226 1.346 -5.372 1.00 0.00 O ATOM 1589 CB LYS A 102 11.193 3.876 -4.386 1.00 0.00 C ATOM 1590 CG LYS A 102 11.934 5.037 -4.963 1.00 0.00 C ATOM 1591 CD LYS A 102 13.061 5.461 -4.066 1.00 0.00 C ATOM 1592 CE LYS A 102 13.374 6.918 -4.264 1.00 0.00 C ATOM 1593 NZ LYS A 102 13.649 7.252 -5.696 1.00 0.00 N ATOM 0 H LYS A 102 9.335 5.463 -4.142 1.00 0.00 H new ATOM 0 HA LYS A 102 9.966 3.596 -6.132 1.00 0.00 H new ATOM 0 HB2 LYS A 102 11.044 4.042 -3.319 1.00 0.00 H new ATOM 0 HB3 LYS A 102 11.802 2.978 -4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 102 12.327 4.770 -5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.249 5.872 -5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 102 12.793 5.279 -3.025 1.00 0.00 H new ATOM 0 HD3 LYS A 102 13.946 4.861 -4.277 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.537 7.518 -3.908 1.00 0.00 H new ATOM 0 HE3 LYS A 102 14.239 7.187 -3.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 14.054 8.208 -5.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 14.322 6.564 -6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 12.762 7.217 -6.237 1.00 0.00 H new ATOM 1607 N THR A 103 8.829 2.237 -3.341 1.00 0.00 N ATOM 1608 CA THR A 103 8.245 1.008 -2.825 1.00 0.00 C ATOM 1609 C THR A 103 6.969 0.676 -3.611 1.00 0.00 C ATOM 1610 O THR A 103 6.768 -0.475 -4.017 1.00 0.00 O ATOM 1611 CB THR A 103 7.980 1.120 -1.310 1.00 0.00 C ATOM 1612 OG1 THR A 103 8.778 2.148 -0.755 1.00 0.00 O ATOM 1613 CG2 THR A 103 8.289 -0.154 -0.541 1.00 0.00 C ATOM 0 H THR A 103 8.869 3.006 -2.672 1.00 0.00 H new ATOM 0 HA THR A 103 8.950 0.187 -2.961 1.00 0.00 H new ATOM 0 HB THR A 103 6.915 1.329 -1.214 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.352 2.489 0.059 1.00 0.00 H new ATOM 0 HG21 THR A 103 8.079 -0.000 0.517 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.669 -0.967 -0.920 1.00 0.00 H new ATOM 0 HG23 THR A 103 9.341 -0.410 -0.668 1.00 0.00 H new ATOM 1621 N LYS A 104 6.156 1.712 -3.909 1.00 0.00 N ATOM 1622 CA LYS A 104 4.953 1.536 -4.732 1.00 0.00 C ATOM 1623 C LYS A 104 5.302 0.901 -6.050 1.00 0.00 C ATOM 1624 O LYS A 104 4.746 -0.139 -6.395 1.00 0.00 O ATOM 1625 CB LYS A 104 4.253 2.863 -5.010 1.00 0.00 C ATOM 1626 CG LYS A 104 3.743 3.552 -3.783 1.00 0.00 C ATOM 1627 CD LYS A 104 2.290 3.199 -3.504 1.00 0.00 C ATOM 1628 CE LYS A 104 1.550 4.372 -2.882 1.00 0.00 C ATOM 1629 NZ LYS A 104 0.136 4.044 -2.541 1.00 0.00 N ATOM 0 H LYS A 104 6.314 2.669 -3.592 1.00 0.00 H new ATOM 0 HA LYS A 104 4.280 0.892 -4.166 1.00 0.00 H new ATOM 0 HB2 LYS A 104 4.947 3.527 -5.525 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.418 2.686 -5.688 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.357 3.272 -2.927 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.839 4.631 -3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 104 1.799 2.907 -4.432 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.244 2.340 -2.835 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.073 4.689 -1.980 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.567 5.215 -3.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -0.317 4.872 -2.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.378 3.784 -3.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 0.116 3.247 -1.873 1.00 0.00 H new ATOM 1643 N GLU A 105 6.206 1.546 -6.807 1.00 0.00 N ATOM 1644 CA GLU A 105 6.583 1.016 -8.122 1.00 0.00 C ATOM 1645 C GLU A 105 6.989 -0.447 -8.023 1.00 0.00 C ATOM 1646 O GLU A 105 6.360 -1.289 -8.648 1.00 0.00 O ATOM 1647 CB GLU A 105 7.645 1.870 -8.869 1.00 0.00 C ATOM 1648 CG GLU A 105 8.867 2.284 -8.066 1.00 0.00 C ATOM 1649 CD GLU A 105 9.979 2.787 -8.932 1.00 0.00 C ATOM 1650 OE1 GLU A 105 9.838 3.861 -9.511 1.00 0.00 O ATOM 1651 OE2 GLU A 105 10.998 2.106 -9.034 1.00 0.00 O ATOM 0 H GLU A 105 6.676 2.411 -6.539 1.00 0.00 H new ATOM 0 HA GLU A 105 5.689 1.081 -8.742 1.00 0.00 H new ATOM 0 HB2 GLU A 105 7.983 1.309 -9.740 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.158 2.772 -9.240 1.00 0.00 H new ATOM 0 HG2 GLU A 105 8.585 3.061 -7.355 1.00 0.00 H new ATOM 0 HG3 GLU A 105 9.221 1.433 -7.484 1.00 0.00 H new ATOM 1658 N ARG A 106 7.947 -0.762 -7.130 1.00 0.00 N ATOM 1659 CA ARG A 106 8.342 -2.168 -6.887 1.00 0.00 C ATOM 1660 C ARG A 106 7.109 -3.032 -6.653 1.00 0.00 C ATOM 1661 O ARG A 106 6.934 -4.081 -7.292 1.00 0.00 O ATOM 1662 CB ARG A 106 9.288 -2.292 -5.682 1.00 0.00 C ATOM 1663 CG ARG A 106 10.656 -1.695 -5.895 1.00 0.00 C ATOM 1664 CD ARG A 106 11.129 -0.923 -4.682 1.00 0.00 C ATOM 1665 NE ARG A 106 12.434 -0.283 -4.903 1.00 0.00 N ATOM 1666 CZ ARG A 106 12.692 0.656 -5.844 1.00 0.00 C ATOM 1667 NH1 ARG A 106 11.684 1.208 -6.531 1.00 0.00 N ATOM 1668 NH2 ARG A 106 13.942 1.074 -6.036 1.00 0.00 N ATOM 0 H ARG A 106 8.456 -0.077 -6.572 1.00 0.00 H new ATOM 0 HA ARG A 106 8.871 -2.515 -7.775 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.825 -1.809 -4.822 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.401 -3.347 -5.432 1.00 0.00 H new ATOM 0 HG2 ARG A 106 11.368 -2.489 -6.120 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.633 -1.033 -6.761 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.392 -0.162 -4.428 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.197 -1.598 -3.829 1.00 0.00 H new ATOM 0 HE ARG A 106 13.206 -0.569 -4.300 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.723 0.921 -6.345 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.877 1.915 -7.240 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.701 0.687 -5.475 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.140 1.781 -6.744 1.00 0.00 H new ATOM 1682 N LEU A 107 6.233 -2.565 -5.758 1.00 0.00 N ATOM 1683 CA LEU A 107 4.989 -3.267 -5.463 1.00 0.00 C ATOM 1684 C LEU A 107 4.187 -3.478 -6.737 1.00 0.00 C ATOM 1685 O LEU A 107 3.765 -4.587 -7.029 1.00 0.00 O ATOM 1686 CB LEU A 107 4.115 -2.467 -4.459 1.00 0.00 C ATOM 1687 CG LEU A 107 4.055 -2.949 -2.992 1.00 0.00 C ATOM 1688 CD1 LEU A 107 4.301 -4.443 -2.858 1.00 0.00 C ATOM 1689 CD2 LEU A 107 5.015 -2.163 -2.127 1.00 0.00 C ATOM 0 H LEU A 107 6.366 -1.704 -5.228 1.00 0.00 H new ATOM 0 HA LEU A 107 5.255 -4.228 -5.022 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.471 -1.437 -4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.096 -2.451 -4.845 1.00 0.00 H new ATOM 0 HG LEU A 107 3.040 -2.765 -2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.248 -4.728 -1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.543 -4.988 -3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.289 -4.686 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.955 -2.520 -1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.031 -2.296 -2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 107 4.752 -1.106 -2.160 1.00 0.00 H new ATOM 1701 N PHE A 108 4.003 -2.403 -7.510 1.00 0.00 N ATOM 1702 CA PHE A 108 3.217 -2.448 -8.737 1.00 0.00 C ATOM 1703 C PHE A 108 3.836 -3.396 -9.724 1.00 0.00 C ATOM 1704 O PHE A 108 3.126 -4.148 -10.394 1.00 0.00 O ATOM 1705 CB PHE A 108 3.064 -1.040 -9.349 1.00 0.00 C ATOM 1706 CG PHE A 108 2.002 -0.185 -8.682 1.00 0.00 C ATOM 1707 CD1 PHE A 108 1.886 -0.128 -7.298 1.00 0.00 C ATOM 1708 CD2 PHE A 108 1.118 0.555 -9.441 1.00 0.00 C ATOM 1709 CE1 PHE A 108 0.918 0.644 -6.698 1.00 0.00 C ATOM 1710 CE2 PHE A 108 0.147 1.332 -8.843 1.00 0.00 C ATOM 1711 CZ PHE A 108 0.047 1.376 -7.472 1.00 0.00 C ATOM 0 H PHE A 108 4.394 -1.485 -7.301 1.00 0.00 H new ATOM 0 HA PHE A 108 2.220 -2.813 -8.489 1.00 0.00 H new ATOM 0 HB2 PHE A 108 4.022 -0.523 -9.288 1.00 0.00 H new ATOM 0 HB3 PHE A 108 2.822 -1.140 -10.407 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.567 -0.699 -6.684 1.00 0.00 H new ATOM 0 HD2 PHE A 108 1.187 0.525 -10.518 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.842 0.675 -5.621 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.535 1.906 -9.452 1.00 0.00 H new ATOM 0 HZ PHE A 108 -0.713 1.984 -7.004 1.00 0.00 H new ATOM 1721 N ARG A 109 5.153 -3.374 -9.793 1.00 0.00 N ATOM 1722 CA ARG A 109 5.883 -4.241 -10.684 1.00 0.00 C ATOM 1723 C ARG A 109 5.722 -5.682 -10.308 1.00 0.00 C ATOM 1724 O ARG A 109 5.439 -6.514 -11.185 1.00 0.00 O ATOM 1725 CB ARG A 109 7.351 -3.833 -10.789 1.00 0.00 C ATOM 1726 CG ARG A 109 7.526 -2.353 -11.121 1.00 0.00 C ATOM 1727 CD ARG A 109 7.305 -2.074 -12.621 1.00 0.00 C ATOM 1728 NE ARG A 109 6.093 -2.751 -13.132 1.00 0.00 N ATOM 1729 CZ ARG A 109 4.855 -2.214 -13.161 1.00 0.00 C ATOM 1730 NH1 ARG A 109 4.687 -0.896 -12.952 1.00 0.00 N ATOM 1731 NH2 ARG A 109 3.796 -2.996 -13.384 1.00 0.00 N ATOM 0 H ARG A 109 5.741 -2.756 -9.234 1.00 0.00 H new ATOM 0 HA ARG A 109 5.451 -4.125 -11.678 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.854 -4.052 -9.847 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.837 -4.434 -11.557 1.00 0.00 H new ATOM 0 HG2 ARG A 109 6.822 -1.763 -10.534 1.00 0.00 H new ATOM 0 HG3 ARG A 109 8.528 -2.032 -10.835 1.00 0.00 H new ATOM 0 HD2 ARG A 109 7.217 -1.000 -12.782 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.175 -2.410 -13.185 1.00 0.00 H new ATOM 0 HE ARG A 109 6.202 -3.699 -13.491 1.00 0.00 H new ATOM 0 HH11 ARG A 109 5.496 -0.301 -12.771 1.00 0.00 H new ATOM 0 HH12 ARG A 109 3.751 -0.491 -12.974 1.00 0.00 H new ATOM 0 HH21 ARG A 109 3.923 -3.997 -13.532 1.00 0.00 H new ATOM 0 HH22 ARG A 109 2.860 -2.592 -13.406 1.00 0.00 H new ATOM 1745 N LEU A 110 5.740 -5.985 -9.015 1.00 0.00 N ATOM 1746 CA LEU A 110 5.480 -7.320 -8.604 1.00 0.00 C ATOM 1747 C LEU A 110 3.987 -7.631 -8.812 1.00 0.00 C ATOM 1748 O LEU A 110 3.620 -8.669 -9.414 1.00 0.00 O ATOM 1749 CB LEU A 110 6.006 -7.547 -7.187 1.00 0.00 C ATOM 1750 CG LEU A 110 5.053 -7.789 -6.107 1.00 0.00 C ATOM 1751 CD1 LEU A 110 4.273 -9.077 -6.370 1.00 0.00 C ATOM 1752 CD2 LEU A 110 5.806 -7.857 -4.788 1.00 0.00 C ATOM 0 H LEU A 110 5.930 -5.324 -8.261 1.00 0.00 H new ATOM 0 HA LEU A 110 6.021 -8.040 -9.218 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.687 -8.397 -7.221 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.599 -6.675 -6.913 1.00 0.00 H new ATOM 0 HG LEU A 110 4.332 -6.973 -6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.566 -9.246 -5.558 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.730 -8.988 -7.311 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.966 -9.916 -6.429 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.102 -8.037 -3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.533 -8.669 -4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.324 -6.914 -4.616 1.00 0.00 H new ATOM 1764 N PHE A 111 3.142 -6.671 -8.408 1.00 0.00 N ATOM 1765 CA PHE A 111 1.674 -6.720 -8.616 1.00 0.00 C ATOM 1766 C PHE A 111 1.269 -6.951 -10.085 1.00 0.00 C ATOM 1767 O PHE A 111 0.110 -7.278 -10.341 1.00 0.00 O ATOM 1768 CB PHE A 111 0.987 -5.434 -8.126 1.00 0.00 C ATOM 1769 CG PHE A 111 0.703 -5.403 -6.656 1.00 0.00 C ATOM 1770 CD1 PHE A 111 -0.023 -6.409 -6.050 1.00 0.00 C ATOM 1771 CD2 PHE A 111 1.171 -4.367 -5.879 1.00 0.00 C ATOM 1772 CE1 PHE A 111 -0.272 -6.376 -4.700 1.00 0.00 C ATOM 1773 CE2 PHE A 111 0.930 -4.326 -4.535 1.00 0.00 C ATOM 1774 CZ PHE A 111 0.209 -5.328 -3.937 1.00 0.00 C ATOM 0 H PHE A 111 3.453 -5.829 -7.923 1.00 0.00 H new ATOM 0 HA PHE A 111 1.341 -7.575 -8.028 1.00 0.00 H new ATOM 0 HB2 PHE A 111 1.617 -4.581 -8.380 1.00 0.00 H new ATOM 0 HB3 PHE A 111 0.049 -5.309 -8.667 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.399 -7.230 -6.643 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.739 -3.573 -6.340 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -0.842 -7.167 -4.235 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.307 -3.505 -3.943 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.018 -5.298 -2.874 1.00 0.00 H new ATOM 1784 N SER A 112 2.196 -6.812 -11.049 1.00 0.00 N ATOM 1785 CA SER A 112 1.828 -7.035 -12.452 1.00 0.00 C ATOM 1786 C SER A 112 1.594 -8.533 -12.695 1.00 0.00 C ATOM 1787 O SER A 112 0.889 -8.907 -13.634 1.00 0.00 O ATOM 1788 CB SER A 112 2.918 -6.522 -13.433 1.00 0.00 C ATOM 1789 OG SER A 112 3.765 -5.523 -12.846 1.00 0.00 O ATOM 0 H SER A 112 3.170 -6.556 -10.889 1.00 0.00 H new ATOM 0 HA SER A 112 0.914 -6.472 -12.642 1.00 0.00 H new ATOM 0 HB2 SER A 112 3.529 -7.362 -13.763 1.00 0.00 H new ATOM 0 HB3 SER A 112 2.438 -6.110 -14.320 1.00 0.00 H new ATOM 0 HG SER A 112 4.561 -5.951 -12.467 1.00 0.00 H new ATOM 1795 N GLY A 113 2.103 -9.391 -11.796 1.00 0.00 N ATOM 1796 CA GLY A 113 1.880 -10.812 -11.939 1.00 0.00 C ATOM 1797 C GLY A 113 3.140 -11.637 -11.868 1.00 0.00 C ATOM 1798 O GLY A 113 3.053 -12.863 -11.850 1.00 0.00 O ATOM 0 H GLY A 113 2.658 -9.120 -10.984 1.00 0.00 H new ATOM 0 HA2 GLY A 113 1.196 -11.143 -11.158 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.388 -10.999 -12.894 1.00 0.00 H new ATOM 1802 N GLU A 114 4.306 -10.985 -11.727 1.00 0.00 N ATOM 1803 CA GLU A 114 5.586 -11.705 -11.562 1.00 0.00 C ATOM 1804 C GLU A 114 5.419 -12.752 -10.468 1.00 0.00 C ATOM 1805 O GLU A 114 5.505 -13.951 -10.712 1.00 0.00 O ATOM 1806 CB GLU A 114 6.748 -10.747 -11.178 1.00 0.00 C ATOM 1807 CG GLU A 114 6.523 -9.280 -11.501 1.00 0.00 C ATOM 1808 CD GLU A 114 7.737 -8.592 -11.989 1.00 0.00 C ATOM 1809 OE1 GLU A 114 7.956 -8.601 -13.196 1.00 0.00 O ATOM 1810 OE2 GLU A 114 8.480 -8.033 -11.183 1.00 0.00 O ATOM 0 H GLU A 114 4.392 -9.969 -11.723 1.00 0.00 H new ATOM 0 HA GLU A 114 5.841 -12.170 -12.515 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.934 -10.841 -10.108 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.652 -11.078 -11.689 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.740 -9.198 -12.255 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.160 -8.771 -10.608 1.00 0.00 H new ATOM 1817 N TYR A 115 5.081 -12.268 -9.278 1.00 0.00 N ATOM 1818 CA TYR A 115 4.801 -13.122 -8.127 1.00 0.00 C ATOM 1819 C TYR A 115 3.324 -13.523 -8.094 1.00 0.00 C ATOM 1820 O TYR A 115 2.973 -14.613 -7.626 1.00 0.00 O ATOM 1821 CB TYR A 115 5.152 -12.394 -6.824 1.00 0.00 C ATOM 1822 CG TYR A 115 6.612 -12.030 -6.689 1.00 0.00 C ATOM 1823 CD1 TYR A 115 7.162 -10.961 -7.387 1.00 0.00 C ATOM 1824 CD2 TYR A 115 7.439 -12.752 -5.861 1.00 0.00 C ATOM 1825 CE1 TYR A 115 8.489 -10.635 -7.252 1.00 0.00 C ATOM 1826 CE2 TYR A 115 8.757 -12.431 -5.726 1.00 0.00 C ATOM 1827 CZ TYR A 115 9.282 -11.378 -6.416 1.00 0.00 C ATOM 1828 OH TYR A 115 10.612 -11.060 -6.260 1.00 0.00 O ATOM 0 H TYR A 115 4.993 -11.271 -9.083 1.00 0.00 H new ATOM 0 HA TYR A 115 5.413 -14.019 -8.221 1.00 0.00 H new ATOM 0 HB2 TYR A 115 4.555 -11.484 -6.758 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.867 -13.024 -5.981 1.00 0.00 H new ATOM 0 HD1 TYR A 115 6.536 -10.378 -8.046 1.00 0.00 H new ATOM 0 HD2 TYR A 115 7.037 -13.588 -5.308 1.00 0.00 H new ATOM 0 HE1 TYR A 115 8.904 -9.801 -7.799 1.00 0.00 H new ATOM 0 HE2 TYR A 115 9.388 -13.013 -5.070 1.00 0.00 H new ATOM 0 HH TYR A 115 10.819 -10.980 -5.306 1.00 0.00 H new ATOM 1838 N ILE A 116 2.454 -12.602 -8.509 1.00 0.00 N ATOM 1839 CA ILE A 116 1.010 -12.809 -8.433 1.00 0.00 C ATOM 1840 C ILE A 116 0.520 -14.051 -9.191 1.00 0.00 C ATOM 1841 O ILE A 116 -0.303 -14.788 -8.664 1.00 0.00 O ATOM 1842 CB ILE A 116 0.176 -11.572 -8.883 1.00 0.00 C ATOM 1843 CG1 ILE A 116 0.813 -10.234 -8.447 1.00 0.00 C ATOM 1844 CG2 ILE A 116 -1.219 -11.681 -8.330 1.00 0.00 C ATOM 1845 CD1 ILE A 116 0.919 -10.066 -6.946 1.00 0.00 C ATOM 0 H ILE A 116 2.727 -11.702 -8.903 1.00 0.00 H new ATOM 0 HA ILE A 116 0.839 -12.970 -7.369 1.00 0.00 H new ATOM 0 HB ILE A 116 0.152 -11.572 -9.973 1.00 0.00 H new ATOM 0 HG12 ILE A 116 1.809 -10.158 -8.883 1.00 0.00 H new ATOM 0 HG13 ILE A 116 0.224 -9.412 -8.854 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -1.803 -10.816 -8.644 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -1.688 -12.591 -8.703 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.177 -11.715 -7.241 1.00 0.00 H new ATOM 0 HD11 ILE A 116 1.376 -9.103 -6.719 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -0.076 -10.108 -6.504 1.00 0.00 H new ATOM 0 HD13 ILE A 116 1.534 -10.866 -6.533 1.00 0.00 H new ATOM 1857 N SER A 117 0.963 -14.250 -10.433 1.00 0.00 N ATOM 1858 CA SER A 117 0.478 -15.388 -11.233 1.00 0.00 C ATOM 1859 C SER A 117 0.640 -16.732 -10.498 1.00 0.00 C ATOM 1860 O SER A 117 -0.258 -17.583 -10.547 1.00 0.00 O ATOM 1861 CB SER A 117 1.124 -15.411 -12.599 1.00 0.00 C ATOM 1862 OG SER A 117 1.300 -14.080 -13.103 1.00 0.00 O ATOM 0 H SER A 117 1.643 -13.654 -10.905 1.00 0.00 H new ATOM 0 HA SER A 117 -0.593 -15.245 -11.377 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.090 -15.913 -12.541 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.506 -15.987 -13.288 1.00 0.00 H new ATOM 0 HG SER A 117 2.206 -13.769 -12.896 1.00 0.00 H new ATOM 1868 N THR A 118 1.723 -16.876 -9.730 1.00 0.00 N ATOM 1869 CA THR A 118 1.907 -18.055 -8.893 1.00 0.00 C ATOM 1870 C THR A 118 0.724 -18.183 -7.903 1.00 0.00 C ATOM 1871 O THR A 118 0.149 -19.262 -7.741 1.00 0.00 O ATOM 1872 CB THR A 118 3.242 -17.985 -8.149 1.00 0.00 C ATOM 1873 OG1 THR A 118 3.947 -16.770 -8.434 1.00 0.00 O ATOM 1874 CG2 THR A 118 4.173 -19.125 -8.479 1.00 0.00 C ATOM 0 H THR A 118 2.479 -16.193 -9.673 1.00 0.00 H new ATOM 0 HA THR A 118 1.928 -18.942 -9.527 1.00 0.00 H new ATOM 0 HB THR A 118 2.966 -18.039 -7.096 1.00 0.00 H new ATOM 0 HG1 THR A 118 3.699 -16.086 -7.777 1.00 0.00 H new ATOM 0 HG21 THR A 118 5.100 -19.012 -7.917 1.00 0.00 H new ATOM 0 HG22 THR A 118 3.700 -20.070 -8.213 1.00 0.00 H new ATOM 0 HG23 THR A 118 4.393 -19.118 -9.547 1.00 0.00 H new ATOM 1882 N LEU A 119 0.324 -17.049 -7.323 1.00 0.00 N ATOM 1883 CA LEU A 119 -0.831 -16.970 -6.417 1.00 0.00 C ATOM 1884 C LEU A 119 -2.160 -17.152 -7.180 1.00 0.00 C ATOM 1885 O LEU A 119 -3.026 -17.921 -6.754 1.00 0.00 O ATOM 1886 CB LEU A 119 -0.833 -15.618 -5.667 1.00 0.00 C ATOM 1887 CG LEU A 119 -2.126 -15.262 -4.907 1.00 0.00 C ATOM 1888 CD1 LEU A 119 -1.889 -15.207 -3.411 1.00 0.00 C ATOM 1889 CD2 LEU A 119 -2.698 -13.945 -5.405 1.00 0.00 C ATOM 0 H LEU A 119 0.792 -16.154 -7.467 1.00 0.00 H new ATOM 0 HA LEU A 119 -0.742 -17.781 -5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.007 -15.620 -4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -0.631 -14.826 -6.388 1.00 0.00 H new ATOM 0 HG LEU A 119 -2.852 -16.051 -5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -2.820 -14.954 -2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -1.539 -16.178 -3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -1.137 -14.449 -3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -3.610 -13.713 -4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -1.969 -13.150 -5.250 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -2.926 -14.026 -6.468 1.00 0.00 H new ATOM 1901 N MET A 120 -2.345 -16.396 -8.263 1.00 0.00 N ATOM 1902 CA MET A 120 -3.604 -16.443 -9.038 1.00 0.00 C ATOM 1903 C MET A 120 -3.465 -17.297 -10.291 1.00 0.00 C ATOM 1904 O MET A 120 -2.771 -16.906 -11.250 1.00 0.00 O ATOM 1905 CB MET A 120 -4.114 -15.029 -9.406 1.00 0.00 C ATOM 1906 CG MET A 120 -3.041 -14.056 -9.877 1.00 0.00 C ATOM 1907 SD MET A 120 -3.577 -13.057 -11.263 1.00 0.00 S ATOM 1908 CE MET A 120 -4.657 -11.935 -10.410 1.00 0.00 C ATOM 0 H MET A 120 -1.650 -15.745 -8.628 1.00 0.00 H new ATOM 0 HA MET A 120 -4.346 -16.908 -8.389 1.00 0.00 H new ATOM 0 HB2 MET A 120 -4.866 -15.124 -10.190 1.00 0.00 H new ATOM 0 HB3 MET A 120 -4.613 -14.602 -8.536 1.00 0.00 H new ATOM 0 HG2 MET A 120 -2.760 -13.403 -9.051 1.00 0.00 H new ATOM 0 HG3 MET A 120 -2.149 -14.614 -10.160 1.00 0.00 H new ATOM 0 HE1 MET A 120 -5.308 -11.439 -11.130 1.00 0.00 H new ATOM 0 HE2 MET A 120 -5.263 -12.488 -9.693 1.00 0.00 H new ATOM 0 HE3 MET A 120 -4.063 -11.188 -9.883 1.00 0.00 H new ATOM 1918 N LYS A 121 -4.146 -18.444 -10.302 1.00 0.00 N ATOM 1919 CA LYS A 121 -4.125 -19.355 -11.438 1.00 0.00 C ATOM 1920 C LYS A 121 -4.685 -18.663 -12.687 1.00 0.00 C ATOM 1921 O LYS A 121 -3.956 -18.470 -13.674 1.00 0.00 O ATOM 1922 CB LYS A 121 -4.920 -20.658 -11.102 1.00 0.00 C ATOM 1923 CG LYS A 121 -5.384 -21.445 -12.285 1.00 0.00 C ATOM 1924 CD LYS A 121 -4.392 -22.529 -12.595 1.00 0.00 C ATOM 1925 CE LYS A 121 -4.988 -23.536 -13.523 1.00 0.00 C ATOM 1926 NZ LYS A 121 -5.265 -22.956 -14.863 1.00 0.00 N ATOM 0 H LYS A 121 -4.724 -18.763 -9.525 1.00 0.00 H new ATOM 0 HA LYS A 121 -3.093 -19.637 -11.648 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -4.291 -21.299 -10.484 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -5.789 -20.389 -10.501 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -6.362 -21.881 -12.082 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -5.501 -20.788 -13.147 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -3.499 -22.095 -13.045 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -4.078 -23.017 -11.672 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -4.308 -24.382 -13.627 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -5.914 -23.921 -13.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -5.582 -23.708 -15.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -6.008 -22.233 -14.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -4.398 -22.521 -15.239 1.00 0.00 H new ATOM 1940 N THR A 122 -5.978 -18.356 -12.656 1.00 0.00 N ATOM 1941 CA THR A 122 -6.667 -17.758 -13.762 1.00 0.00 C ATOM 1942 C THR A 122 -6.948 -16.246 -13.524 1.00 0.00 C ATOM 1943 O THR A 122 -6.539 -15.709 -12.484 1.00 0.00 O ATOM 1944 CB THR A 122 -7.958 -18.563 -14.045 1.00 0.00 C ATOM 1945 OG1 THR A 122 -8.720 -18.016 -15.126 1.00 0.00 O ATOM 1946 CG2 THR A 122 -8.873 -18.705 -12.841 1.00 0.00 C ATOM 1947 OXT THR A 122 -7.560 -15.610 -14.395 1.00 0.00 O ATOM 0 H THR A 122 -6.573 -18.523 -11.844 1.00 0.00 H new ATOM 0 HA THR A 122 -6.030 -17.799 -14.646 1.00 0.00 H new ATOM 0 HB THR A 122 -7.590 -19.553 -14.315 1.00 0.00 H new ATOM 0 HG1 THR A 122 -8.551 -17.053 -15.191 1.00 0.00 H new ATOM 0 HG21 THR A 122 -9.755 -19.281 -13.120 1.00 0.00 H new ATOM 0 HG22 THR A 122 -8.343 -19.219 -12.040 1.00 0.00 H new ATOM 0 HG23 THR A 122 -9.179 -17.717 -12.498 1.00 0.00 H new TER 1955 THR A 122