USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 753 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 85 GLN : amide:sc= -0.101 K(o=0.15,f=-0.87!) USER MOD Set 1.2: A 88 SER OG : rot -52:sc= 0.255 USER MOD Set 2.1: A 13 TYR OH : rot -80:sc= 1.2 USER MOD Set 2.2: A 20 HIS : no HD1:sc= -0.0838 K(o=1.1,f=-5.1!) USER MOD Set 3.1: A 19 SER OG : rot -59:sc= 1.62 USER MOD Set 3.2: A 93 SER OG : rot 101:sc= 1.03 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.157 (180deg=0.0593) USER MOD Single : A 2 HIS : no HD1:sc= -0.0459 X(o=-0.046,f=-0.043) USER MOD Single : A 3 MET CE :methyl 175:sc= 0 (180deg=-0.0522) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 30:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 67:sc= 0.807 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -85:sc= 1.23 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 72:sc= 0.354 USER MOD Single : A 38 SER OG : rot -97:sc= 1.19 USER MOD Single : A 39 TYR OH : rot -66:sc= 0.226 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -160:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0936 USER MOD Single : A 52 ASN : amide:sc=-0.00256 X(o=-0.0026,f=-0.0026) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= 0.353 X(o=0.35,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0237 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 65:sc= 1.15 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -3.38! C(o=-3.4!,f=-14!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -61:sc= 1.06 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -145:sc= -0.0531 (180deg=-1.71) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= 0.207 X(o=0.21,f=-0.25) USER MOD Single : A 101 LYS NZ :NH3+ -163:sc= 1.04 (180deg=0.596) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.641 -9.364 -4.967 1.00 0.00 N ATOM 2 CA GLY A 1 -34.832 -8.495 -5.055 1.00 0.00 C ATOM 3 C GLY A 1 -34.735 -7.647 -6.311 1.00 0.00 C ATOM 4 O GLY A 1 -33.968 -8.011 -7.198 1.00 0.00 O ATOM 0 H1 GLY A 1 -33.941 -10.354 -4.863 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.073 -9.263 -5.832 1.00 0.00 H new ATOM 0 H3 GLY A 1 -33.070 -9.087 -4.143 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.738 -9.100 -5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -34.898 -7.856 -4.174 1.00 0.00 H new ATOM 8 N HIS A 2 -35.465 -6.531 -6.391 1.00 0.00 N ATOM 9 CA HIS A 2 -35.215 -5.513 -7.408 1.00 0.00 C ATOM 10 C HIS A 2 -33.800 -4.983 -7.169 1.00 0.00 C ATOM 11 O HIS A 2 -33.526 -4.459 -6.089 1.00 0.00 O ATOM 12 CB HIS A 2 -36.260 -4.389 -7.328 1.00 0.00 C ATOM 13 CG HIS A 2 -37.681 -4.894 -7.385 1.00 0.00 C ATOM 14 ND1 HIS A 2 -38.346 -5.349 -8.504 1.00 0.00 N ATOM 15 CD2 HIS A 2 -38.528 -5.019 -6.316 1.00 0.00 C ATOM 16 CE1 HIS A 2 -39.568 -5.749 -8.109 1.00 0.00 C ATOM 17 NE2 HIS A 2 -39.711 -5.585 -6.785 1.00 0.00 N ATOM 0 H HIS A 2 -36.236 -6.312 -5.760 1.00 0.00 H new ATOM 0 HA HIS A 2 -35.297 -5.935 -8.410 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -36.116 -3.833 -6.402 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -36.096 -3.690 -8.148 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -38.317 -4.731 -5.297 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -40.328 -6.147 -8.766 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -40.530 -5.828 -6.228 1.00 0.00 H new ATOM 25 N MET A 3 -32.884 -5.227 -8.104 1.00 0.00 N ATOM 26 CA MET A 3 -31.466 -4.894 -8.026 1.00 0.00 C ATOM 27 C MET A 3 -31.007 -4.590 -9.454 1.00 0.00 C ATOM 28 O MET A 3 -31.658 -5.031 -10.401 1.00 0.00 O ATOM 29 CB MET A 3 -30.672 -6.084 -7.450 1.00 0.00 C ATOM 30 CG MET A 3 -31.019 -6.393 -5.985 1.00 0.00 C ATOM 31 SD MET A 3 -30.285 -7.896 -5.282 1.00 0.00 S ATOM 32 CE MET A 3 -28.527 -7.439 -5.330 1.00 0.00 C ATOM 0 H MET A 3 -33.125 -5.687 -8.982 1.00 0.00 H new ATOM 0 HA MET A 3 -31.298 -4.039 -7.372 1.00 0.00 H new ATOM 0 HB2 MET A 3 -30.865 -6.969 -8.057 1.00 0.00 H new ATOM 0 HB3 MET A 3 -29.606 -5.872 -7.527 1.00 0.00 H new ATOM 0 HG2 MET A 3 -30.710 -5.544 -5.374 1.00 0.00 H new ATOM 0 HG3 MET A 3 -32.103 -6.470 -5.900 1.00 0.00 H new ATOM 0 HE1 MET A 3 -27.935 -8.218 -4.850 1.00 0.00 H new ATOM 0 HE2 MET A 3 -28.208 -7.328 -6.366 1.00 0.00 H new ATOM 0 HE3 MET A 3 -28.382 -6.496 -4.802 1.00 0.00 H new ATOM 42 N GLY A 4 -29.888 -3.878 -9.600 1.00 0.00 N ATOM 43 CA GLY A 4 -29.428 -3.356 -10.878 1.00 0.00 C ATOM 44 C GLY A 4 -29.456 -1.839 -10.793 1.00 0.00 C ATOM 45 O GLY A 4 -30.532 -1.248 -10.760 1.00 0.00 O ATOM 0 H GLY A 4 -29.271 -3.647 -8.821 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.420 -3.709 -11.095 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -30.069 -3.706 -11.687 1.00 0.00 H new ATOM 49 N SER A 5 -28.286 -1.217 -10.671 1.00 0.00 N ATOM 50 CA SER A 5 -28.146 0.222 -10.502 1.00 0.00 C ATOM 51 C SER A 5 -26.686 0.612 -10.769 1.00 0.00 C ATOM 52 O SER A 5 -25.807 -0.242 -10.609 1.00 0.00 O ATOM 53 CB SER A 5 -28.583 0.613 -9.076 1.00 0.00 C ATOM 54 OG SER A 5 -28.315 -0.396 -8.104 1.00 0.00 O ATOM 0 H SER A 5 -27.394 -1.711 -10.687 1.00 0.00 H new ATOM 0 HA SER A 5 -28.782 0.757 -11.208 1.00 0.00 H new ATOM 0 HB2 SER A 5 -28.072 1.531 -8.786 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.651 0.830 -9.078 1.00 0.00 H new ATOM 0 HG SER A 5 -28.613 -0.088 -7.222 1.00 0.00 H new ATOM 60 N PRO A 6 -26.393 1.870 -11.139 1.00 0.00 N ATOM 61 CA PRO A 6 -25.028 2.347 -11.318 1.00 0.00 C ATOM 62 C PRO A 6 -24.321 2.466 -9.969 1.00 0.00 C ATOM 63 O PRO A 6 -24.700 3.262 -9.102 1.00 0.00 O ATOM 64 CB PRO A 6 -25.138 3.686 -12.036 1.00 0.00 C ATOM 65 CG PRO A 6 -26.519 4.188 -11.614 1.00 0.00 C ATOM 66 CD PRO A 6 -27.346 2.914 -11.485 1.00 0.00 C ATOM 0 HA PRO A 6 -24.427 1.654 -11.906 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -24.348 4.373 -11.732 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -25.063 3.572 -13.117 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -26.475 4.734 -10.671 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -26.942 4.866 -12.355 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -28.111 3.018 -10.716 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -27.861 2.683 -12.418 1.00 0.00 H new ATOM 74 N VAL A 7 -23.283 1.659 -9.800 1.00 0.00 N ATOM 75 CA VAL A 7 -22.457 1.638 -8.607 1.00 0.00 C ATOM 76 C VAL A 7 -21.263 2.529 -8.911 1.00 0.00 C ATOM 77 O VAL A 7 -20.487 2.248 -9.822 1.00 0.00 O ATOM 78 CB VAL A 7 -22.054 0.200 -8.249 1.00 0.00 C ATOM 79 CG1 VAL A 7 -21.258 0.156 -6.938 1.00 0.00 C ATOM 80 CG2 VAL A 7 -23.277 -0.697 -8.055 1.00 0.00 C ATOM 0 H VAL A 7 -22.987 0.986 -10.507 1.00 0.00 H new ATOM 0 HA VAL A 7 -22.988 2.011 -7.731 1.00 0.00 H new ATOM 0 HB VAL A 7 -21.449 -0.157 -9.082 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -20.987 -0.875 -6.711 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -20.353 0.755 -7.042 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -21.868 0.557 -6.128 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -22.952 -1.706 -7.803 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -23.893 -0.302 -7.247 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -23.859 -0.723 -8.976 1.00 0.00 H new ATOM 90 N SER A 8 -21.122 3.607 -8.152 1.00 0.00 N ATOM 91 CA SER A 8 -20.105 4.617 -8.363 1.00 0.00 C ATOM 92 C SER A 8 -18.965 4.307 -7.416 1.00 0.00 C ATOM 93 O SER A 8 -19.076 4.554 -6.211 1.00 0.00 O ATOM 94 CB SER A 8 -20.671 6.010 -8.087 1.00 0.00 C ATOM 95 OG SER A 8 -21.850 6.267 -8.828 1.00 0.00 O ATOM 0 H SER A 8 -21.728 3.804 -7.355 1.00 0.00 H new ATOM 0 HA SER A 8 -19.758 4.607 -9.396 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.885 6.109 -7.023 1.00 0.00 H new ATOM 0 HB3 SER A 8 -19.919 6.760 -8.332 1.00 0.00 H new ATOM 0 HG SER A 8 -22.178 7.167 -8.620 1.00 0.00 H new ATOM 101 N TYR A 9 -17.903 3.689 -7.919 1.00 0.00 N ATOM 102 CA TYR A 9 -16.694 3.539 -7.135 1.00 0.00 C ATOM 103 C TYR A 9 -15.900 4.832 -7.146 1.00 0.00 C ATOM 104 O TYR A 9 -16.020 5.647 -8.067 1.00 0.00 O ATOM 105 CB TYR A 9 -15.867 2.374 -7.656 1.00 0.00 C ATOM 106 CG TYR A 9 -16.177 1.089 -6.933 1.00 0.00 C ATOM 107 CD1 TYR A 9 -17.452 0.518 -7.006 1.00 0.00 C ATOM 108 CD2 TYR A 9 -15.200 0.501 -6.122 1.00 0.00 C ATOM 109 CE1 TYR A 9 -17.737 -0.680 -6.332 1.00 0.00 C ATOM 110 CE2 TYR A 9 -15.468 -0.685 -5.430 1.00 0.00 C ATOM 111 CZ TYR A 9 -16.745 -1.285 -5.525 1.00 0.00 C ATOM 112 OH TYR A 9 -17.026 -2.374 -4.765 1.00 0.00 O ATOM 0 H TYR A 9 -17.859 3.289 -8.856 1.00 0.00 H new ATOM 0 HA TYR A 9 -16.964 3.319 -6.102 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -16.056 2.244 -8.722 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.807 2.605 -7.546 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -18.224 1.003 -7.586 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -14.230 0.967 -6.029 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -18.710 -1.138 -6.429 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -14.700 -1.142 -4.824 1.00 0.00 H new ATOM 0 HH TYR A 9 -17.732 -2.900 -5.195 1.00 0.00 H new ATOM 122 N TYR A 10 -15.065 4.983 -6.125 1.00 0.00 N ATOM 123 CA TYR A 10 -14.173 6.096 -5.912 1.00 0.00 C ATOM 124 C TYR A 10 -12.819 5.462 -5.598 1.00 0.00 C ATOM 125 O TYR A 10 -12.642 4.842 -4.546 1.00 0.00 O ATOM 126 CB TYR A 10 -14.703 6.994 -4.784 1.00 0.00 C ATOM 127 CG TYR A 10 -16.021 7.706 -5.074 1.00 0.00 C ATOM 128 CD1 TYR A 10 -17.244 7.006 -5.047 1.00 0.00 C ATOM 129 CD2 TYR A 10 -16.029 9.086 -5.352 1.00 0.00 C ATOM 130 CE1 TYR A 10 -18.457 7.665 -5.322 1.00 0.00 C ATOM 131 CE2 TYR A 10 -17.242 9.758 -5.583 1.00 0.00 C ATOM 132 CZ TYR A 10 -18.465 9.054 -5.572 1.00 0.00 C ATOM 133 OH TYR A 10 -19.633 9.722 -5.784 1.00 0.00 O ATOM 0 H TYR A 10 -14.995 4.285 -5.384 1.00 0.00 H new ATOM 0 HA TYR A 10 -14.089 6.754 -6.777 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -14.828 6.386 -3.888 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -13.947 7.745 -4.556 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -17.251 5.952 -4.813 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -15.098 9.632 -5.388 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -19.382 7.108 -5.342 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -17.238 10.822 -5.770 1.00 0.00 H new ATOM 0 HH TYR A 10 -19.444 10.671 -5.938 1.00 0.00 H new ATOM 143 N PHE A 11 -11.899 5.541 -6.555 1.00 0.00 N ATOM 144 CA PHE A 11 -10.514 5.099 -6.487 1.00 0.00 C ATOM 145 C PHE A 11 -9.678 6.277 -7.000 1.00 0.00 C ATOM 146 O PHE A 11 -9.128 6.221 -8.102 1.00 0.00 O ATOM 147 CB PHE A 11 -10.303 3.764 -7.263 1.00 0.00 C ATOM 148 CG PHE A 11 -11.013 3.638 -8.609 1.00 0.00 C ATOM 149 CD1 PHE A 11 -12.332 3.154 -8.649 1.00 0.00 C ATOM 150 CD2 PHE A 11 -10.385 4.005 -9.814 1.00 0.00 C ATOM 151 CE1 PHE A 11 -13.044 3.106 -9.863 1.00 0.00 C ATOM 152 CE2 PHE A 11 -11.082 3.941 -11.034 1.00 0.00 C ATOM 153 CZ PHE A 11 -12.420 3.513 -11.056 1.00 0.00 C ATOM 0 H PHE A 11 -12.121 5.946 -7.465 1.00 0.00 H new ATOM 0 HA PHE A 11 -10.202 4.850 -5.473 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -9.234 3.631 -7.428 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.632 2.943 -6.626 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.805 2.815 -7.739 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -9.358 4.339 -9.802 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -14.066 2.758 -9.878 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -10.589 4.221 -11.953 1.00 0.00 H new ATOM 0 HZ PHE A 11 -12.968 3.497 -11.987 1.00 0.00 H new ATOM 163 N SER A 12 -9.619 7.374 -6.235 1.00 0.00 N ATOM 164 CA SER A 12 -8.636 8.431 -6.441 1.00 0.00 C ATOM 165 C SER A 12 -8.520 9.346 -5.214 1.00 0.00 C ATOM 166 O SER A 12 -9.166 9.085 -4.196 1.00 0.00 O ATOM 167 CB SER A 12 -8.953 9.253 -7.702 1.00 0.00 C ATOM 168 OG SER A 12 -10.184 9.954 -7.600 1.00 0.00 O ATOM 0 H SER A 12 -10.254 7.549 -5.457 1.00 0.00 H new ATOM 0 HA SER A 12 -7.671 7.945 -6.586 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.147 9.965 -7.880 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.988 8.589 -8.565 1.00 0.00 H new ATOM 0 HG SER A 12 -10.108 10.650 -6.915 1.00 0.00 H new ATOM 174 N TYR A 13 -7.727 10.428 -5.294 1.00 0.00 N ATOM 175 CA TYR A 13 -7.859 11.539 -4.355 1.00 0.00 C ATOM 176 C TYR A 13 -9.219 12.224 -4.552 1.00 0.00 C ATOM 177 O TYR A 13 -9.952 11.890 -5.487 1.00 0.00 O ATOM 178 CB TYR A 13 -6.703 12.520 -4.569 1.00 0.00 C ATOM 179 CG TYR A 13 -5.379 12.071 -3.984 1.00 0.00 C ATOM 180 CD1 TYR A 13 -4.523 11.199 -4.694 1.00 0.00 C ATOM 181 CD2 TYR A 13 -4.978 12.590 -2.739 1.00 0.00 C ATOM 182 CE1 TYR A 13 -3.221 10.939 -4.230 1.00 0.00 C ATOM 183 CE2 TYR A 13 -3.677 12.353 -2.275 1.00 0.00 C ATOM 184 CZ TYR A 13 -2.794 11.585 -3.054 1.00 0.00 C ATOM 185 OH TYR A 13 -1.496 11.525 -2.706 1.00 0.00 O ATOM 0 H TYR A 13 -6.996 10.550 -5.995 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.814 11.172 -3.330 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.576 12.684 -5.639 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.973 13.480 -4.130 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.872 10.728 -5.601 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.669 13.168 -2.144 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.567 10.263 -4.761 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.355 12.757 -1.327 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.314 10.667 -2.269 1.00 0.00 H new ATOM 195 N ALA A 14 -9.555 13.176 -3.679 1.00 0.00 N ATOM 196 CA ALA A 14 -10.741 14.018 -3.826 1.00 0.00 C ATOM 197 C ALA A 14 -10.398 15.481 -4.104 1.00 0.00 C ATOM 198 O ALA A 14 -11.298 16.259 -4.419 1.00 0.00 O ATOM 199 CB ALA A 14 -11.622 13.899 -2.578 1.00 0.00 C ATOM 0 H ALA A 14 -9.007 13.385 -2.845 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.288 13.657 -4.697 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.504 14.529 -2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.931 12.862 -2.448 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.058 14.222 -1.703 1.00 0.00 H new ATOM 205 N ASP A 15 -9.122 15.861 -4.019 1.00 0.00 N ATOM 206 CA ASP A 15 -8.694 17.228 -4.285 1.00 0.00 C ATOM 207 C ASP A 15 -7.220 17.217 -4.672 1.00 0.00 C ATOM 208 O ASP A 15 -6.356 17.769 -3.981 1.00 0.00 O ATOM 209 CB ASP A 15 -8.969 18.119 -3.073 1.00 0.00 C ATOM 210 CG ASP A 15 -8.614 19.575 -3.360 1.00 0.00 C ATOM 211 OD1 ASP A 15 -8.618 19.983 -4.543 1.00 0.00 O ATOM 212 OD2 ASP A 15 -8.378 20.320 -2.387 1.00 0.00 O ATOM 0 H ASP A 15 -8.362 15.230 -3.765 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.263 17.646 -5.116 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.021 18.047 -2.798 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.391 17.764 -2.220 1.00 0.00 H new ATOM 217 N GLY A 16 -6.894 16.475 -5.728 1.00 0.00 N ATOM 218 CA GLY A 16 -5.523 16.409 -6.212 1.00 0.00 C ATOM 219 C GLY A 16 -5.419 15.618 -7.499 1.00 0.00 C ATOM 220 O GLY A 16 -5.565 16.188 -8.577 1.00 0.00 O ATOM 0 H GLY A 16 -7.559 15.915 -6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.146 17.419 -6.374 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.891 15.951 -5.452 1.00 0.00 H new ATOM 224 N GLY A 17 -5.171 14.312 -7.407 1.00 0.00 N ATOM 225 CA GLY A 17 -4.790 13.522 -8.568 1.00 0.00 C ATOM 226 C GLY A 17 -4.618 12.049 -8.252 1.00 0.00 C ATOM 227 O GLY A 17 -5.565 11.381 -7.822 1.00 0.00 O ATOM 0 H GLY A 17 -5.228 13.782 -6.538 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.548 13.636 -9.343 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.857 13.912 -8.976 1.00 0.00 H new ATOM 231 N THR A 18 -3.432 11.521 -8.548 1.00 0.00 N ATOM 232 CA THR A 18 -3.119 10.102 -8.533 1.00 0.00 C ATOM 233 C THR A 18 -1.758 9.772 -7.941 1.00 0.00 C ATOM 234 O THR A 18 -1.309 8.629 -8.060 1.00 0.00 O ATOM 235 CB THR A 18 -3.302 9.479 -9.926 1.00 0.00 C ATOM 236 OG1 THR A 18 -2.320 9.927 -10.832 1.00 0.00 O ATOM 237 CG2 THR A 18 -4.658 9.749 -10.571 1.00 0.00 C ATOM 0 H THR A 18 -2.634 12.097 -8.815 1.00 0.00 H new ATOM 0 HA THR A 18 -3.840 9.646 -7.855 1.00 0.00 H new ATOM 0 HB THR A 18 -3.215 8.409 -9.737 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.467 9.509 -11.706 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.697 9.272 -11.550 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.449 9.345 -9.939 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.799 10.824 -10.686 1.00 0.00 H new ATOM 245 N SER A 19 -1.091 10.714 -7.278 1.00 0.00 N ATOM 246 CA SER A 19 0.087 10.327 -6.525 1.00 0.00 C ATOM 247 C SER A 19 0.400 11.315 -5.436 1.00 0.00 C ATOM 248 O SER A 19 0.302 12.533 -5.610 1.00 0.00 O ATOM 249 CB SER A 19 1.297 10.242 -7.467 1.00 0.00 C ATOM 250 OG SER A 19 2.461 9.697 -6.865 1.00 0.00 O ATOM 0 H SER A 19 -1.334 11.704 -7.248 1.00 0.00 H new ATOM 0 HA SER A 19 -0.118 9.358 -6.070 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.029 9.634 -8.331 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.526 11.241 -7.838 1.00 0.00 H new ATOM 0 HG SER A 19 2.720 10.247 -6.096 1.00 0.00 H new ATOM 256 N HIS A 20 0.925 10.748 -4.368 1.00 0.00 N ATOM 257 CA HIS A 20 1.665 11.480 -3.375 1.00 0.00 C ATOM 258 C HIS A 20 3.101 11.584 -3.864 1.00 0.00 C ATOM 259 O HIS A 20 3.675 10.653 -4.444 1.00 0.00 O ATOM 260 CB HIS A 20 1.403 10.939 -1.951 1.00 0.00 C ATOM 261 CG HIS A 20 0.930 9.498 -1.841 1.00 0.00 C ATOM 262 ND1 HIS A 20 -0.304 9.033 -2.258 1.00 0.00 N ATOM 263 CD2 HIS A 20 1.522 8.476 -1.173 1.00 0.00 C ATOM 264 CE1 HIS A 20 -0.415 7.743 -1.906 1.00 0.00 C ATOM 265 NE2 HIS A 20 0.680 7.358 -1.234 1.00 0.00 N ATOM 0 H HIS A 20 0.845 9.751 -4.168 1.00 0.00 H new ATOM 0 HA HIS A 20 1.326 12.509 -3.257 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.323 11.039 -1.375 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.658 11.578 -1.477 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.481 8.517 -0.678 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.260 7.109 -2.130 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.864 6.433 -0.844 1.00 0.00 H new ATOM 273 N THR A 21 3.655 12.764 -3.685 1.00 0.00 N ATOM 274 CA THR A 21 5.045 13.120 -3.861 1.00 0.00 C ATOM 275 C THR A 21 5.339 13.977 -2.630 1.00 0.00 C ATOM 276 O THR A 21 4.405 14.466 -1.989 1.00 0.00 O ATOM 277 CB THR A 21 5.228 13.906 -5.179 1.00 0.00 C ATOM 278 OG1 THR A 21 4.502 13.334 -6.258 1.00 0.00 O ATOM 279 CG2 THR A 21 6.689 13.982 -5.624 1.00 0.00 C ATOM 0 H THR A 21 3.097 13.565 -3.388 1.00 0.00 H new ATOM 0 HA THR A 21 5.719 12.267 -3.938 1.00 0.00 H new ATOM 0 HB THR A 21 4.851 14.903 -4.950 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.647 13.866 -7.068 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.757 14.545 -6.555 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.278 14.480 -4.854 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.075 12.975 -5.781 1.00 0.00 H new ATOM 287 N GLU A 22 6.590 14.193 -2.262 1.00 0.00 N ATOM 288 CA GLU A 22 6.938 15.309 -1.422 1.00 0.00 C ATOM 289 C GLU A 22 8.382 15.672 -1.737 1.00 0.00 C ATOM 290 O GLU A 22 9.147 14.814 -2.192 1.00 0.00 O ATOM 291 CB GLU A 22 6.679 14.951 0.057 1.00 0.00 C ATOM 292 CG GLU A 22 6.144 16.166 0.823 1.00 0.00 C ATOM 293 CD GLU A 22 4.737 16.591 0.359 1.00 0.00 C ATOM 294 OE1 GLU A 22 4.642 17.362 -0.633 1.00 0.00 O ATOM 295 OE2 GLU A 22 3.725 16.155 0.949 1.00 0.00 O ATOM 0 H GLU A 22 7.377 13.605 -2.536 1.00 0.00 H new ATOM 0 HA GLU A 22 6.322 16.187 -1.614 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.962 14.132 0.118 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.602 14.601 0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.116 15.935 1.888 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.832 17.002 0.696 1.00 0.00 H new ATOM 302 N TYR A 23 8.751 16.930 -1.502 1.00 0.00 N ATOM 303 CA TYR A 23 10.094 17.431 -1.758 1.00 0.00 C ATOM 304 C TYR A 23 10.654 18.141 -0.512 1.00 0.00 C ATOM 305 O TYR A 23 11.038 19.308 -0.625 1.00 0.00 O ATOM 306 CB TYR A 23 10.048 18.350 -2.995 1.00 0.00 C ATOM 307 CG TYR A 23 9.603 17.685 -4.284 1.00 0.00 C ATOM 308 CD1 TYR A 23 10.552 17.059 -5.109 1.00 0.00 C ATOM 309 CD2 TYR A 23 8.248 17.689 -4.662 1.00 0.00 C ATOM 310 CE1 TYR A 23 10.162 16.463 -6.318 1.00 0.00 C ATOM 311 CE2 TYR A 23 7.839 17.086 -5.863 1.00 0.00 C ATOM 312 CZ TYR A 23 8.803 16.481 -6.702 1.00 0.00 C ATOM 313 OH TYR A 23 8.436 15.957 -7.903 1.00 0.00 O ATOM 0 H TYR A 23 8.117 17.635 -1.125 1.00 0.00 H new ATOM 0 HA TYR A 23 10.775 16.606 -1.969 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.375 19.181 -2.784 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.040 18.774 -3.149 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.590 17.036 -4.811 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.516 18.160 -4.023 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.898 15.992 -6.953 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.796 17.085 -6.143 1.00 0.00 H new ATOM 0 HH TYR A 23 7.467 16.046 -8.016 1.00 0.00 H new ATOM 323 N PRO A 24 10.691 17.494 0.673 1.00 0.00 N ATOM 324 CA PRO A 24 11.225 18.133 1.864 1.00 0.00 C ATOM 325 C PRO A 24 12.743 18.319 1.759 1.00 0.00 C ATOM 326 O PRO A 24 13.391 17.882 0.801 1.00 0.00 O ATOM 327 CB PRO A 24 10.786 17.256 3.037 1.00 0.00 C ATOM 328 CG PRO A 24 10.642 15.870 2.422 1.00 0.00 C ATOM 329 CD PRO A 24 10.211 16.151 0.985 1.00 0.00 C ATOM 0 HA PRO A 24 10.844 19.145 2.001 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.524 17.263 3.839 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.846 17.603 3.466 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.581 15.318 2.457 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.901 15.272 2.952 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.635 15.417 0.300 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.127 16.091 0.885 1.00 0.00 H new ATOM 337 N ASP A 25 13.314 18.996 2.747 1.00 0.00 N ATOM 338 CA ASP A 25 14.715 19.383 2.787 1.00 0.00 C ATOM 339 C ASP A 25 15.052 19.656 4.249 1.00 0.00 C ATOM 340 O ASP A 25 14.128 19.725 5.065 1.00 0.00 O ATOM 341 CB ASP A 25 14.963 20.611 1.895 1.00 0.00 C ATOM 342 CG ASP A 25 16.434 20.717 1.490 1.00 0.00 C ATOM 343 OD1 ASP A 25 16.998 19.723 0.968 1.00 0.00 O ATOM 344 OD2 ASP A 25 17.006 21.822 1.611 1.00 0.00 O ATOM 0 H ASP A 25 12.795 19.300 3.570 1.00 0.00 H new ATOM 0 HA ASP A 25 15.359 18.595 2.398 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.342 20.546 1.002 1.00 0.00 H new ATOM 0 HB3 ASP A 25 14.664 21.515 2.426 1.00 0.00 H new ATOM 349 N ASP A 26 16.331 19.825 4.589 1.00 0.00 N ATOM 350 CA ASP A 26 16.847 20.083 5.934 1.00 0.00 C ATOM 351 C ASP A 26 16.599 18.889 6.862 1.00 0.00 C ATOM 352 O ASP A 26 17.503 18.077 7.072 1.00 0.00 O ATOM 353 CB ASP A 26 16.325 21.426 6.481 1.00 0.00 C ATOM 354 CG ASP A 26 17.011 21.755 7.796 1.00 0.00 C ATOM 355 OD1 ASP A 26 18.195 22.147 7.764 1.00 0.00 O ATOM 356 OD2 ASP A 26 16.344 21.691 8.862 1.00 0.00 O ATOM 0 H ASP A 26 17.076 19.783 3.894 1.00 0.00 H new ATOM 0 HA ASP A 26 17.930 20.190 5.881 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.510 22.219 5.757 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.246 21.373 6.628 1.00 0.00 H new ATOM 361 N SER A 27 15.370 18.757 7.365 1.00 0.00 N ATOM 362 CA SER A 27 14.746 17.572 7.927 1.00 0.00 C ATOM 363 C SER A 27 13.258 17.896 8.096 1.00 0.00 C ATOM 364 O SER A 27 12.933 18.740 8.942 1.00 0.00 O ATOM 365 CB SER A 27 15.320 17.243 9.306 1.00 0.00 C ATOM 366 OG SER A 27 16.529 16.509 9.273 1.00 0.00 O ATOM 0 H SER A 27 14.734 19.554 7.388 1.00 0.00 H new ATOM 0 HA SER A 27 14.921 16.719 7.271 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.488 18.174 9.848 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.579 16.675 9.869 1.00 0.00 H new ATOM 0 HG SER A 27 16.329 15.552 9.199 1.00 0.00 H new ATOM 372 N SER A 28 12.374 17.276 7.301 1.00 0.00 N ATOM 373 CA SER A 28 10.920 17.376 7.496 1.00 0.00 C ATOM 374 C SER A 28 10.172 16.048 7.293 1.00 0.00 C ATOM 375 O SER A 28 8.991 16.035 6.924 1.00 0.00 O ATOM 376 CB SER A 28 10.354 18.469 6.581 1.00 0.00 C ATOM 377 OG SER A 28 11.078 19.685 6.653 1.00 0.00 O ATOM 0 H SER A 28 12.645 16.694 6.508 1.00 0.00 H new ATOM 0 HA SER A 28 10.758 17.642 8.541 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.359 18.111 5.552 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.314 18.656 6.849 1.00 0.00 H new ATOM 0 HG SER A 28 10.674 20.343 6.049 1.00 0.00 H new ATOM 383 N ALA A 29 10.850 14.918 7.471 1.00 0.00 N ATOM 384 CA ALA A 29 10.221 13.593 7.433 1.00 0.00 C ATOM 385 C ALA A 29 9.343 13.383 8.667 1.00 0.00 C ATOM 386 O ALA A 29 9.687 13.841 9.756 1.00 0.00 O ATOM 387 CB ALA A 29 11.279 12.491 7.343 1.00 0.00 C ATOM 0 H ALA A 29 11.854 14.891 7.646 1.00 0.00 H new ATOM 0 HA ALA A 29 9.594 13.541 6.543 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.789 11.518 7.316 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.868 12.626 6.436 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.934 12.544 8.213 1.00 0.00 H new ATOM 393 N GLY A 30 8.238 12.646 8.527 1.00 0.00 N ATOM 394 CA GLY A 30 7.304 12.423 9.612 1.00 0.00 C ATOM 395 C GLY A 30 6.092 11.658 9.105 1.00 0.00 C ATOM 396 O GLY A 30 6.157 10.991 8.069 1.00 0.00 O ATOM 0 H GLY A 30 7.974 12.190 7.654 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.789 11.863 10.412 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.991 13.377 10.036 1.00 0.00 H new ATOM 400 N SER A 31 4.988 11.754 9.839 1.00 0.00 N ATOM 401 CA SER A 31 3.734 11.076 9.564 1.00 0.00 C ATOM 402 C SER A 31 2.614 12.089 9.410 1.00 0.00 C ATOM 403 O SER A 31 2.287 12.804 10.357 1.00 0.00 O ATOM 404 CB SER A 31 3.416 10.067 10.669 1.00 0.00 C ATOM 405 OG SER A 31 3.870 10.491 11.937 1.00 0.00 O ATOM 0 H SER A 31 4.945 12.333 10.678 1.00 0.00 H new ATOM 0 HA SER A 31 3.829 10.527 8.627 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.339 9.904 10.708 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.875 9.109 10.424 1.00 0.00 H new ATOM 0 HG SER A 31 3.642 9.815 12.609 1.00 0.00 H new ATOM 411 N PHE A 32 2.041 12.147 8.211 1.00 0.00 N ATOM 412 CA PHE A 32 0.894 12.981 7.863 1.00 0.00 C ATOM 413 C PHE A 32 -0.260 12.120 7.335 1.00 0.00 C ATOM 414 O PHE A 32 -0.185 10.888 7.305 1.00 0.00 O ATOM 415 CB PHE A 32 1.339 14.073 6.876 1.00 0.00 C ATOM 416 CG PHE A 32 2.019 13.556 5.625 1.00 0.00 C ATOM 417 CD1 PHE A 32 3.409 13.346 5.636 1.00 0.00 C ATOM 418 CD2 PHE A 32 1.283 13.302 4.451 1.00 0.00 C ATOM 419 CE1 PHE A 32 4.067 12.898 4.482 1.00 0.00 C ATOM 420 CE2 PHE A 32 1.948 12.847 3.297 1.00 0.00 C ATOM 421 CZ PHE A 32 3.339 12.649 3.307 1.00 0.00 C ATOM 0 H PHE A 32 2.376 11.592 7.424 1.00 0.00 H new ATOM 0 HA PHE A 32 0.511 13.483 8.752 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.466 14.657 6.584 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.020 14.752 7.389 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.973 13.531 6.538 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.214 13.456 4.437 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.136 12.744 4.497 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.385 12.649 2.397 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.845 12.307 2.416 1.00 0.00 H new ATOM 431 N ILE A 33 -1.352 12.775 6.941 1.00 0.00 N ATOM 432 CA ILE A 33 -2.592 12.200 6.434 1.00 0.00 C ATOM 433 C ILE A 33 -2.932 12.990 5.157 1.00 0.00 C ATOM 434 O ILE A 33 -2.457 14.113 4.982 1.00 0.00 O ATOM 435 CB ILE A 33 -3.668 12.268 7.559 1.00 0.00 C ATOM 436 CG1 ILE A 33 -3.144 11.506 8.806 1.00 0.00 C ATOM 437 CG2 ILE A 33 -5.034 11.714 7.105 1.00 0.00 C ATOM 438 CD1 ILE A 33 -4.128 11.334 9.967 1.00 0.00 C ATOM 0 H ILE A 33 -1.393 13.794 6.971 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.525 11.145 6.167 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.835 13.316 7.809 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.816 10.516 8.488 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.264 12.029 9.180 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.747 11.785 7.927 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.398 12.294 6.257 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.924 10.671 6.810 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.644 10.787 10.776 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.440 12.314 10.328 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.001 10.778 9.625 1.00 0.00 H new ATOM 450 N LEU A 34 -3.713 12.402 4.248 1.00 0.00 N ATOM 451 CA LEU A 34 -4.089 12.969 2.950 1.00 0.00 C ATOM 452 C LEU A 34 -5.593 12.780 2.732 1.00 0.00 C ATOM 453 O LEU A 34 -6.271 12.152 3.550 1.00 0.00 O ATOM 454 CB LEU A 34 -3.301 12.267 1.826 1.00 0.00 C ATOM 455 CG LEU A 34 -1.771 12.437 1.883 1.00 0.00 C ATOM 456 CD1 LEU A 34 -1.118 11.419 0.941 1.00 0.00 C ATOM 457 CD2 LEU A 34 -1.357 13.856 1.477 1.00 0.00 C ATOM 0 H LEU A 34 -4.118 11.479 4.402 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.853 14.033 2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.532 11.202 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.656 12.645 0.867 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.439 12.268 2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.035 11.534 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.387 10.410 1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.468 11.589 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.272 13.947 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.692 14.055 0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.813 14.576 2.156 1.00 0.00 H new ATOM 469 N ASP A 35 -6.128 13.253 1.606 1.00 0.00 N ATOM 470 CA ASP A 35 -7.539 13.120 1.234 1.00 0.00 C ATOM 471 C ASP A 35 -7.669 12.133 0.074 1.00 0.00 C ATOM 472 O ASP A 35 -7.924 12.505 -1.077 1.00 0.00 O ATOM 473 CB ASP A 35 -8.147 14.494 0.926 1.00 0.00 C ATOM 474 CG ASP A 35 -8.289 15.316 2.200 1.00 0.00 C ATOM 475 OD1 ASP A 35 -9.205 15.027 2.998 1.00 0.00 O ATOM 476 OD2 ASP A 35 -7.404 16.173 2.458 1.00 0.00 O ATOM 0 H ASP A 35 -5.578 13.753 0.908 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.110 12.716 2.070 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.516 15.025 0.213 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.123 14.369 0.457 1.00 0.00 H new ATOM 481 N ILE A 36 -7.456 10.851 0.380 1.00 0.00 N ATOM 482 CA ILE A 36 -7.599 9.749 -0.561 1.00 0.00 C ATOM 483 C ILE A 36 -8.987 9.143 -0.338 1.00 0.00 C ATOM 484 O ILE A 36 -9.445 8.989 0.798 1.00 0.00 O ATOM 485 CB ILE A 36 -6.418 8.762 -0.404 1.00 0.00 C ATOM 486 CG1 ILE A 36 -5.119 9.484 -0.849 1.00 0.00 C ATOM 487 CG2 ILE A 36 -6.641 7.479 -1.231 1.00 0.00 C ATOM 488 CD1 ILE A 36 -3.816 8.762 -0.496 1.00 0.00 C ATOM 0 H ILE A 36 -7.173 10.548 1.312 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.546 10.071 -1.601 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.338 8.455 0.639 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.154 9.628 -1.929 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.100 10.475 -0.396 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.792 6.808 -1.098 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.552 6.983 -0.895 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.736 7.738 -2.286 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.968 9.348 -0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.748 8.642 0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.803 7.781 -0.972 1.00 0.00 H new ATOM 500 N THR A 37 -9.655 8.804 -1.434 1.00 0.00 N ATOM 501 CA THR A 37 -11.015 8.305 -1.469 1.00 0.00 C ATOM 502 C THR A 37 -10.944 6.805 -1.725 1.00 0.00 C ATOM 503 O THR A 37 -10.244 6.386 -2.650 1.00 0.00 O ATOM 504 CB THR A 37 -11.794 9.001 -2.601 1.00 0.00 C ATOM 505 OG1 THR A 37 -11.379 10.332 -2.826 1.00 0.00 O ATOM 506 CG2 THR A 37 -13.273 9.036 -2.264 1.00 0.00 C ATOM 0 H THR A 37 -9.240 8.875 -2.363 1.00 0.00 H new ATOM 0 HA THR A 37 -11.528 8.507 -0.529 1.00 0.00 H new ATOM 0 HB THR A 37 -11.596 8.421 -3.502 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.495 10.332 -3.248 1.00 0.00 H new ATOM 0 HG21 THR A 37 -13.818 9.530 -3.069 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.644 8.018 -2.146 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.422 9.586 -1.335 1.00 0.00 H new ATOM 514 N SER A 38 -11.656 5.998 -0.942 1.00 0.00 N ATOM 515 CA SER A 38 -11.720 4.560 -1.153 1.00 0.00 C ATOM 516 C SER A 38 -13.098 4.085 -0.689 1.00 0.00 C ATOM 517 O SER A 38 -13.248 3.624 0.448 1.00 0.00 O ATOM 518 CB SER A 38 -10.541 3.885 -0.431 1.00 0.00 C ATOM 519 OG SER A 38 -10.565 2.482 -0.603 1.00 0.00 O ATOM 0 H SER A 38 -12.203 6.325 -0.145 1.00 0.00 H new ATOM 0 HA SER A 38 -11.616 4.286 -2.203 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.602 4.284 -0.814 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.579 4.123 0.632 1.00 0.00 H new ATOM 0 HG SER A 38 -10.983 2.064 0.178 1.00 0.00 H new ATOM 525 N TYR A 39 -14.126 4.222 -1.535 1.00 0.00 N ATOM 526 CA TYR A 39 -15.457 3.685 -1.252 1.00 0.00 C ATOM 527 C TYR A 39 -16.233 3.404 -2.544 1.00 0.00 C ATOM 528 O TYR A 39 -15.806 3.782 -3.635 1.00 0.00 O ATOM 529 CB TYR A 39 -16.250 4.631 -0.318 1.00 0.00 C ATOM 530 CG TYR A 39 -16.582 6.019 -0.836 1.00 0.00 C ATOM 531 CD1 TYR A 39 -17.756 6.261 -1.576 1.00 0.00 C ATOM 532 CD2 TYR A 39 -15.759 7.099 -0.480 1.00 0.00 C ATOM 533 CE1 TYR A 39 -18.067 7.569 -1.997 1.00 0.00 C ATOM 534 CE2 TYR A 39 -16.068 8.405 -0.888 1.00 0.00 C ATOM 535 CZ TYR A 39 -17.202 8.641 -1.690 1.00 0.00 C ATOM 536 OH TYR A 39 -17.486 9.901 -2.112 1.00 0.00 O ATOM 0 H TYR A 39 -14.057 4.706 -2.430 1.00 0.00 H new ATOM 0 HA TYR A 39 -15.327 2.735 -0.734 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -17.186 4.138 -0.057 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -15.682 4.745 0.605 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -18.418 5.443 -1.821 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -14.876 6.922 0.116 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -18.972 7.752 -2.557 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -15.437 9.229 -0.588 1.00 0.00 H new ATOM 0 HH TYR A 39 -17.436 9.938 -3.090 1.00 0.00 H new ATOM 546 N LYS A 40 -17.408 2.780 -2.418 1.00 0.00 N ATOM 547 CA LYS A 40 -18.404 2.614 -3.473 1.00 0.00 C ATOM 548 C LYS A 40 -19.729 3.176 -2.982 1.00 0.00 C ATOM 549 O LYS A 40 -20.098 2.947 -1.829 1.00 0.00 O ATOM 550 CB LYS A 40 -18.500 1.148 -3.891 1.00 0.00 C ATOM 551 CG LYS A 40 -19.018 0.126 -2.873 1.00 0.00 C ATOM 552 CD LYS A 40 -20.441 -0.285 -3.272 1.00 0.00 C ATOM 553 CE LYS A 40 -21.106 -1.248 -2.298 1.00 0.00 C ATOM 554 NZ LYS A 40 -20.661 -2.645 -2.476 1.00 0.00 N ATOM 0 H LYS A 40 -17.701 2.359 -1.536 1.00 0.00 H new ATOM 0 HA LYS A 40 -18.112 3.166 -4.367 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.144 1.096 -4.769 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.506 0.828 -4.205 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.365 -0.747 -2.848 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -19.015 0.555 -1.871 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -21.056 0.611 -3.357 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.411 -0.746 -4.259 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.891 -0.931 -1.278 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -22.187 -1.197 -2.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -21.146 -3.254 -1.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.889 -2.962 -3.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -19.633 -2.704 -2.327 1.00 0.00 H new ATOM 568 N LYS A 41 -20.439 3.909 -3.834 1.00 0.00 N ATOM 569 CA LYS A 41 -21.711 4.569 -3.555 1.00 0.00 C ATOM 570 C LYS A 41 -22.756 3.912 -4.440 1.00 0.00 C ATOM 571 O LYS A 41 -22.482 3.660 -5.612 1.00 0.00 O ATOM 572 CB LYS A 41 -21.550 6.064 -3.862 1.00 0.00 C ATOM 573 CG LYS A 41 -22.674 6.985 -3.372 1.00 0.00 C ATOM 574 CD LYS A 41 -22.302 8.457 -3.644 1.00 0.00 C ATOM 575 CE LYS A 41 -23.121 9.384 -2.740 1.00 0.00 C ATOM 576 NZ LYS A 41 -22.814 10.819 -2.945 1.00 0.00 N ATOM 0 H LYS A 41 -20.125 4.068 -4.791 1.00 0.00 H new ATOM 0 HA LYS A 41 -22.019 4.473 -2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -20.613 6.404 -3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -21.457 6.183 -4.941 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -23.606 6.737 -3.879 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -22.841 6.834 -2.305 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.238 8.610 -3.466 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -22.488 8.700 -4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -24.182 9.216 -2.924 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -22.933 9.124 -1.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -23.399 11.394 -2.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -21.808 10.991 -2.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -23.019 11.080 -3.931 1.00 0.00 H new ATOM 590 N THR A 42 -23.914 3.589 -3.878 1.00 0.00 N ATOM 591 CA THR A 42 -25.019 2.919 -4.562 1.00 0.00 C ATOM 592 C THR A 42 -26.178 2.871 -3.570 1.00 0.00 C ATOM 593 O THR A 42 -25.957 2.916 -2.357 1.00 0.00 O ATOM 594 CB THR A 42 -24.607 1.510 -5.063 1.00 0.00 C ATOM 595 OG1 THR A 42 -25.685 0.803 -5.649 1.00 0.00 O ATOM 596 CG2 THR A 42 -23.985 0.615 -3.987 1.00 0.00 C ATOM 0 H THR A 42 -24.119 3.792 -2.900 1.00 0.00 H new ATOM 0 HA THR A 42 -25.315 3.463 -5.459 1.00 0.00 H new ATOM 0 HB THR A 42 -23.846 1.725 -5.813 1.00 0.00 H new ATOM 0 HG1 THR A 42 -25.481 -0.156 -5.658 1.00 0.00 H new ATOM 0 HG21 THR A 42 -23.726 -0.351 -4.422 1.00 0.00 H new ATOM 0 HG22 THR A 42 -23.085 1.089 -3.595 1.00 0.00 H new ATOM 0 HG23 THR A 42 -24.700 0.469 -3.178 1.00 0.00 H new ATOM 604 N GLY A 43 -27.407 2.733 -4.071 1.00 0.00 N ATOM 605 CA GLY A 43 -28.614 2.787 -3.266 1.00 0.00 C ATOM 606 C GLY A 43 -28.572 4.025 -2.386 1.00 0.00 C ATOM 607 O GLY A 43 -28.596 5.146 -2.891 1.00 0.00 O ATOM 0 H GLY A 43 -27.587 2.579 -5.063 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -29.494 2.813 -3.909 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -28.695 1.891 -2.650 1.00 0.00 H new ATOM 611 N ASN A 44 -28.425 3.814 -1.083 1.00 0.00 N ATOM 612 CA ASN A 44 -28.492 4.846 -0.062 1.00 0.00 C ATOM 613 C ASN A 44 -27.339 4.657 0.933 1.00 0.00 C ATOM 614 O ASN A 44 -27.507 4.880 2.130 1.00 0.00 O ATOM 615 CB ASN A 44 -29.886 4.784 0.593 1.00 0.00 C ATOM 616 CG ASN A 44 -30.323 6.113 1.192 1.00 0.00 C ATOM 617 OD1 ASN A 44 -29.521 6.951 1.589 1.00 0.00 O ATOM 618 ND2 ASN A 44 -31.623 6.345 1.256 1.00 0.00 N ATOM 0 H ASN A 44 -28.250 2.886 -0.698 1.00 0.00 H new ATOM 0 HA ASN A 44 -28.370 5.843 -0.485 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -30.617 4.470 -0.152 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -29.880 4.024 1.375 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -31.966 7.227 1.638 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -32.283 5.642 0.923 1.00 0.00 H new ATOM 625 N SER A 45 -26.187 4.159 0.468 1.00 0.00 N ATOM 626 CA SER A 45 -25.058 3.802 1.313 1.00 0.00 C ATOM 627 C SER A 45 -23.735 4.108 0.609 1.00 0.00 C ATOM 628 O SER A 45 -23.660 4.173 -0.624 1.00 0.00 O ATOM 629 CB SER A 45 -25.132 2.302 1.640 1.00 0.00 C ATOM 630 OG SER A 45 -26.389 1.945 2.182 1.00 0.00 O ATOM 0 H SER A 45 -26.018 3.993 -0.524 1.00 0.00 H new ATOM 0 HA SER A 45 -25.103 4.389 2.230 1.00 0.00 H new ATOM 0 HB2 SER A 45 -24.948 1.723 0.735 1.00 0.00 H new ATOM 0 HB3 SER A 45 -24.344 2.045 2.348 1.00 0.00 H new ATOM 0 HG SER A 45 -26.401 0.985 2.376 1.00 0.00 H new ATOM 636 N THR A 46 -22.670 4.186 1.405 1.00 0.00 N ATOM 637 CA THR A 46 -21.289 4.197 0.952 1.00 0.00 C ATOM 638 C THR A 46 -20.533 3.112 1.716 1.00 0.00 C ATOM 639 O THR A 46 -20.239 3.276 2.900 1.00 0.00 O ATOM 640 CB THR A 46 -20.650 5.591 1.093 1.00 0.00 C ATOM 641 OG1 THR A 46 -21.028 6.249 2.285 1.00 0.00 O ATOM 642 CG2 THR A 46 -21.023 6.481 -0.090 1.00 0.00 C ATOM 0 H THR A 46 -22.753 4.245 2.420 1.00 0.00 H new ATOM 0 HA THR A 46 -21.242 3.976 -0.114 1.00 0.00 H new ATOM 0 HB THR A 46 -19.573 5.424 1.120 1.00 0.00 H new ATOM 0 HG1 THR A 46 -20.594 7.127 2.326 1.00 0.00 H new ATOM 0 HG21 THR A 46 -20.560 7.460 0.031 1.00 0.00 H new ATOM 0 HG22 THR A 46 -20.669 6.025 -1.014 1.00 0.00 H new ATOM 0 HG23 THR A 46 -22.106 6.594 -0.133 1.00 0.00 H new ATOM 650 N LYS A 47 -20.259 1.969 1.077 1.00 0.00 N ATOM 651 CA LYS A 47 -19.345 0.987 1.658 1.00 0.00 C ATOM 652 C LYS A 47 -17.943 1.504 1.397 1.00 0.00 C ATOM 653 O LYS A 47 -17.566 1.657 0.233 1.00 0.00 O ATOM 654 CB LYS A 47 -19.566 -0.421 1.089 1.00 0.00 C ATOM 655 CG LYS A 47 -18.521 -1.413 1.632 1.00 0.00 C ATOM 656 CD LYS A 47 -18.858 -2.871 1.309 1.00 0.00 C ATOM 657 CE LYS A 47 -20.030 -3.400 2.146 1.00 0.00 C ATOM 658 NZ LYS A 47 -19.650 -3.739 3.533 1.00 0.00 N ATOM 0 H LYS A 47 -20.651 1.706 0.173 1.00 0.00 H new ATOM 0 HA LYS A 47 -19.521 0.879 2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -20.567 -0.767 1.346 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -19.510 -0.389 0.001 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.545 -1.170 1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -18.442 -1.295 2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -19.103 -2.959 0.250 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -17.980 -3.492 1.486 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -20.821 -2.650 2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -20.442 -4.286 1.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -20.484 -4.090 4.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -18.916 -4.475 3.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -19.282 -2.891 4.009 1.00 0.00 H new ATOM 672 N ALA A 48 -17.204 1.816 2.457 1.00 0.00 N ATOM 673 CA ALA A 48 -15.787 2.109 2.323 1.00 0.00 C ATOM 674 C ALA A 48 -15.054 0.809 2.009 1.00 0.00 C ATOM 675 O ALA A 48 -15.469 -0.259 2.465 1.00 0.00 O ATOM 676 CB ALA A 48 -15.256 2.745 3.603 1.00 0.00 C ATOM 0 H ALA A 48 -17.562 1.871 3.410 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.624 2.820 1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.193 2.959 3.489 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -15.794 3.672 3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -15.400 2.059 4.437 1.00 0.00 H new ATOM 682 N LEU A 49 -13.965 0.893 1.250 1.00 0.00 N ATOM 683 CA LEU A 49 -13.094 -0.234 0.979 1.00 0.00 C ATOM 684 C LEU A 49 -11.755 0.007 1.645 1.00 0.00 C ATOM 685 O LEU A 49 -11.246 1.133 1.623 1.00 0.00 O ATOM 686 CB LEU A 49 -12.866 -0.391 -0.526 1.00 0.00 C ATOM 687 CG LEU A 49 -14.033 -0.935 -1.365 1.00 0.00 C ATOM 688 CD1 LEU A 49 -14.954 -1.931 -0.663 1.00 0.00 C ATOM 689 CD2 LEU A 49 -14.820 0.204 -1.997 1.00 0.00 C ATOM 0 H LEU A 49 -13.664 1.759 0.803 1.00 0.00 H new ATOM 0 HA LEU A 49 -13.563 -1.139 1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.588 0.583 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -12.011 -1.051 -0.670 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.557 -1.530 -2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -15.740 -2.247 -1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -14.377 -2.800 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -15.404 -1.458 0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -15.641 -0.204 -2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.220 0.848 -1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.163 0.785 -2.644 1.00 0.00 H new ATOM 701 N SER A 50 -11.165 -1.060 2.162 1.00 0.00 N ATOM 702 CA SER A 50 -9.780 -1.093 2.572 1.00 0.00 C ATOM 703 C SER A 50 -8.854 -0.966 1.352 1.00 0.00 C ATOM 704 O SER A 50 -9.262 -1.169 0.198 1.00 0.00 O ATOM 705 CB SER A 50 -9.526 -2.375 3.394 1.00 0.00 C ATOM 706 OG SER A 50 -10.406 -3.449 3.079 1.00 0.00 O ATOM 0 H SER A 50 -11.652 -1.944 2.309 1.00 0.00 H new ATOM 0 HA SER A 50 -9.555 -0.241 3.213 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.499 -2.701 3.231 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.622 -2.140 4.454 1.00 0.00 H new ATOM 0 HG SER A 50 -10.186 -4.226 3.635 1.00 0.00 H new ATOM 712 N TRP A 51 -7.591 -0.642 1.623 1.00 0.00 N ATOM 713 CA TRP A 51 -6.486 -0.768 0.684 1.00 0.00 C ATOM 714 C TRP A 51 -5.259 -1.279 1.431 1.00 0.00 C ATOM 715 O TRP A 51 -5.199 -1.156 2.655 1.00 0.00 O ATOM 716 CB TRP A 51 -6.244 0.576 -0.026 1.00 0.00 C ATOM 717 CG TRP A 51 -5.658 1.726 0.729 1.00 0.00 C ATOM 718 CD1 TRP A 51 -4.342 2.031 0.763 1.00 0.00 C ATOM 719 CD2 TRP A 51 -6.339 2.824 1.407 1.00 0.00 C ATOM 720 NE1 TRP A 51 -4.162 3.262 1.352 1.00 0.00 N ATOM 721 CE2 TRP A 51 -5.369 3.820 1.728 1.00 0.00 C ATOM 722 CE3 TRP A 51 -7.687 3.109 1.718 1.00 0.00 C ATOM 723 CZ2 TRP A 51 -5.736 5.062 2.267 1.00 0.00 C ATOM 724 CZ3 TRP A 51 -8.059 4.344 2.286 1.00 0.00 C ATOM 725 CH2 TRP A 51 -7.088 5.327 2.545 1.00 0.00 C ATOM 0 H TRP A 51 -7.303 -0.274 2.530 1.00 0.00 H new ATOM 0 HA TRP A 51 -6.721 -1.492 -0.097 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -5.591 0.380 -0.876 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -7.201 0.907 -0.429 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -3.549 1.403 0.384 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -3.254 3.705 1.493 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -8.446 2.367 1.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -4.984 5.811 2.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -9.095 4.536 2.523 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.380 6.282 2.956 1.00 0.00 H new ATOM 736 N ASN A 52 -4.295 -1.872 0.727 1.00 0.00 N ATOM 737 CA ASN A 52 -3.086 -2.438 1.321 1.00 0.00 C ATOM 738 C ASN A 52 -1.908 -2.072 0.432 1.00 0.00 C ATOM 739 O ASN A 52 -2.073 -1.899 -0.777 1.00 0.00 O ATOM 740 CB ASN A 52 -3.212 -3.964 1.465 1.00 0.00 C ATOM 741 CG ASN A 52 -4.286 -4.351 2.475 1.00 0.00 C ATOM 742 OD1 ASN A 52 -5.351 -4.854 2.124 1.00 0.00 O ATOM 743 ND2 ASN A 52 -4.082 -4.079 3.748 1.00 0.00 N ATOM 0 H ASN A 52 -4.334 -1.974 -0.287 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.936 -2.032 2.321 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.450 -4.402 0.496 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.254 -4.380 1.776 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.806 -4.286 4.436 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.200 -3.662 4.045 1.00 0.00 H new ATOM 750 N ALA A 53 -0.717 -1.949 1.015 1.00 0.00 N ATOM 751 CA ALA A 53 0.430 -1.282 0.411 1.00 0.00 C ATOM 752 C ALA A 53 1.722 -2.031 0.732 1.00 0.00 C ATOM 753 O ALA A 53 1.741 -2.832 1.666 1.00 0.00 O ATOM 754 CB ALA A 53 0.471 0.145 0.953 1.00 0.00 C ATOM 0 H ALA A 53 -0.520 -2.321 1.944 1.00 0.00 H new ATOM 0 HA ALA A 53 0.335 -1.267 -0.675 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.320 0.674 0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.452 0.661 0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 53 0.574 0.119 2.038 1.00 0.00 H new ATOM 760 N SER A 54 2.788 -1.772 -0.028 1.00 0.00 N ATOM 761 CA SER A 54 4.105 -2.370 0.171 1.00 0.00 C ATOM 762 C SER A 54 5.134 -1.642 -0.700 1.00 0.00 C ATOM 763 O SER A 54 4.788 -1.118 -1.767 1.00 0.00 O ATOM 764 CB SER A 54 4.056 -3.871 -0.162 1.00 0.00 C ATOM 765 OG SER A 54 3.451 -4.146 -1.419 1.00 0.00 O ATOM 0 H SER A 54 2.756 -1.126 -0.816 1.00 0.00 H new ATOM 0 HA SER A 54 4.402 -2.267 1.215 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.070 -4.271 -0.159 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.505 -4.393 0.621 1.00 0.00 H new ATOM 0 HG SER A 54 3.450 -5.113 -1.577 1.00 0.00 H new ATOM 771 N GLY A 55 6.403 -1.621 -0.293 1.00 0.00 N ATOM 772 CA GLY A 55 7.434 -0.882 -0.999 1.00 0.00 C ATOM 773 C GLY A 55 8.691 -0.729 -0.159 1.00 0.00 C ATOM 774 O GLY A 55 9.123 -1.670 0.513 1.00 0.00 O ATOM 0 H GLY A 55 6.738 -2.116 0.533 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.678 -1.396 -1.929 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.055 0.103 -1.269 1.00 0.00 H new ATOM 778 N ASP A 56 9.283 0.459 -0.212 1.00 0.00 N ATOM 779 CA ASP A 56 10.508 0.819 0.493 1.00 0.00 C ATOM 780 C ASP A 56 10.369 0.576 2.007 1.00 0.00 C ATOM 781 O ASP A 56 9.341 0.897 2.616 1.00 0.00 O ATOM 782 CB ASP A 56 10.837 2.287 0.192 1.00 0.00 C ATOM 783 CG ASP A 56 11.766 2.478 -1.008 1.00 0.00 C ATOM 784 OD1 ASP A 56 13.003 2.431 -0.811 1.00 0.00 O ATOM 785 OD2 ASP A 56 11.281 2.650 -2.150 1.00 0.00 O ATOM 0 H ASP A 56 8.908 1.227 -0.769 1.00 0.00 H new ATOM 0 HA ASP A 56 11.326 0.188 0.146 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.908 2.828 0.010 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.299 2.734 1.072 1.00 0.00 H new ATOM 790 N SER A 57 11.416 0.013 2.615 1.00 0.00 N ATOM 791 CA SER A 57 11.492 -0.489 3.991 1.00 0.00 C ATOM 792 C SER A 57 11.457 0.569 5.107 1.00 0.00 C ATOM 793 O SER A 57 11.597 0.211 6.278 1.00 0.00 O ATOM 794 CB SER A 57 12.789 -1.296 4.117 1.00 0.00 C ATOM 795 OG SER A 57 12.793 -2.388 3.218 1.00 0.00 O ATOM 0 H SER A 57 12.300 -0.114 2.122 1.00 0.00 H new ATOM 0 HA SER A 57 10.588 -1.079 4.144 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.644 -0.651 3.916 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.898 -1.660 5.139 1.00 0.00 H new ATOM 0 HG SER A 57 13.630 -2.888 3.314 1.00 0.00 H new ATOM 801 N TRP A 58 11.292 1.847 4.770 1.00 0.00 N ATOM 802 CA TRP A 58 11.381 2.981 5.689 1.00 0.00 C ATOM 803 C TRP A 58 10.140 3.873 5.619 1.00 0.00 C ATOM 804 O TRP A 58 10.120 4.938 6.242 1.00 0.00 O ATOM 805 CB TRP A 58 12.678 3.760 5.408 1.00 0.00 C ATOM 806 CG TRP A 58 12.945 4.048 3.958 1.00 0.00 C ATOM 807 CD1 TRP A 58 13.428 3.165 3.054 1.00 0.00 C ATOM 808 CD2 TRP A 58 12.679 5.270 3.212 1.00 0.00 C ATOM 809 NE1 TRP A 58 13.489 3.755 1.811 1.00 0.00 N ATOM 810 CE2 TRP A 58 13.036 5.053 1.850 1.00 0.00 C ATOM 811 CE3 TRP A 58 12.161 6.537 3.543 1.00 0.00 C ATOM 812 CZ2 TRP A 58 12.897 6.046 0.875 1.00 0.00 C ATOM 813 CZ3 TRP A 58 12.019 7.545 2.571 1.00 0.00 C ATOM 814 CH2 TRP A 58 12.377 7.300 1.236 1.00 0.00 C ATOM 0 H TRP A 58 11.085 2.132 3.813 1.00 0.00 H new ATOM 0 HA TRP A 58 11.416 2.606 6.712 1.00 0.00 H new ATOM 0 HB2 TRP A 58 12.641 4.705 5.950 1.00 0.00 H new ATOM 0 HB3 TRP A 58 13.518 3.195 5.811 1.00 0.00 H new ATOM 0 HD1 TRP A 58 13.722 2.149 3.274 1.00 0.00 H new ATOM 0 HE1 TRP A 58 13.827 3.289 0.969 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.867 6.739 4.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.187 5.850 -0.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 11.632 8.513 2.854 1.00 0.00 H new ATOM 0 HH2 TRP A 58 12.253 8.071 0.490 1.00 0.00 H new ATOM 825 N ILE A 59 9.118 3.452 4.869 1.00 0.00 N ATOM 826 CA ILE A 59 7.899 4.193 4.603 1.00 0.00 C ATOM 827 C ILE A 59 6.761 3.371 5.201 1.00 0.00 C ATOM 828 O ILE A 59 6.233 2.454 4.564 1.00 0.00 O ATOM 829 CB ILE A 59 7.725 4.454 3.095 1.00 0.00 C ATOM 830 CG1 ILE A 59 8.996 5.033 2.438 1.00 0.00 C ATOM 831 CG2 ILE A 59 6.522 5.390 2.894 1.00 0.00 C ATOM 832 CD1 ILE A 59 8.846 5.121 0.915 1.00 0.00 C ATOM 0 H ILE A 59 9.126 2.540 4.412 1.00 0.00 H new ATOM 0 HA ILE A 59 7.920 5.183 5.058 1.00 0.00 H new ATOM 0 HB ILE A 59 7.545 3.500 2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.198 6.024 2.843 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.853 4.407 2.685 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.386 5.584 1.830 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.624 4.920 3.295 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.702 6.331 3.415 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.758 5.533 0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.669 4.125 0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.004 5.768 0.669 1.00 0.00 H new ATOM 844 N HIS A 60 6.441 3.670 6.453 1.00 0.00 N ATOM 845 CA HIS A 60 5.445 2.970 7.237 1.00 0.00 C ATOM 846 C HIS A 60 4.062 3.418 6.783 1.00 0.00 C ATOM 847 O HIS A 60 3.655 4.558 7.021 1.00 0.00 O ATOM 848 CB HIS A 60 5.669 3.273 8.716 1.00 0.00 C ATOM 849 CG HIS A 60 6.918 2.644 9.249 1.00 0.00 C ATOM 850 ND1 HIS A 60 6.958 1.420 9.866 1.00 0.00 N ATOM 851 CD2 HIS A 60 8.199 3.124 9.147 1.00 0.00 C ATOM 852 CE1 HIS A 60 8.239 1.165 10.158 1.00 0.00 C ATOM 853 NE2 HIS A 60 9.035 2.148 9.703 1.00 0.00 N ATOM 0 H HIS A 60 6.886 4.433 6.963 1.00 0.00 H new ATOM 0 HA HIS A 60 5.526 1.892 7.094 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.721 4.352 8.858 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.814 2.917 9.290 1.00 0.00 H new ATOM 0 HD2 HIS A 60 8.503 4.069 8.721 1.00 0.00 H new ATOM 0 HE1 HIS A 60 8.586 0.289 10.687 1.00 0.00 H new ATOM 0 HE2 HIS A 60 10.053 2.177 9.753 1.00 0.00 H new ATOM 861 N VAL A 61 3.337 2.521 6.129 1.00 0.00 N ATOM 862 CA VAL A 61 1.976 2.748 5.671 1.00 0.00 C ATOM 863 C VAL A 61 1.010 2.213 6.735 1.00 0.00 C ATOM 864 O VAL A 61 1.285 1.189 7.374 1.00 0.00 O ATOM 865 CB VAL A 61 1.824 2.110 4.274 1.00 0.00 C ATOM 866 CG1 VAL A 61 2.099 0.595 4.258 1.00 0.00 C ATOM 867 CG2 VAL A 61 0.463 2.452 3.652 1.00 0.00 C ATOM 0 H VAL A 61 3.689 1.592 5.897 1.00 0.00 H new ATOM 0 HA VAL A 61 1.737 3.805 5.552 1.00 0.00 H new ATOM 0 HB VAL A 61 2.601 2.553 3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.974 0.213 3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.119 0.407 4.593 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.399 0.091 4.925 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.386 1.989 2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.335 2.077 4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.370 3.533 3.552 1.00 0.00 H new ATOM 877 N ASN A 62 -0.119 2.895 6.953 1.00 0.00 N ATOM 878 CA ASN A 62 -1.125 2.489 7.935 1.00 0.00 C ATOM 879 C ASN A 62 -2.539 2.742 7.410 1.00 0.00 C ATOM 880 O ASN A 62 -3.401 3.285 8.104 1.00 0.00 O ATOM 881 CB ASN A 62 -0.815 3.152 9.299 1.00 0.00 C ATOM 882 CG ASN A 62 -0.607 2.107 10.382 1.00 0.00 C ATOM 883 OD1 ASN A 62 -1.347 2.034 11.353 1.00 0.00 O ATOM 884 ND2 ASN A 62 0.351 1.210 10.198 1.00 0.00 N ATOM 0 H ASN A 62 -0.360 3.749 6.449 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.080 1.412 8.100 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.078 3.771 9.211 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.635 3.813 9.580 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.475 0.452 10.869 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.964 1.278 9.386 1.00 0.00 H new ATOM 891 N GLY A 63 -2.788 2.351 6.162 1.00 0.00 N ATOM 892 CA GLY A 63 -4.023 2.652 5.461 1.00 0.00 C ATOM 893 C GLY A 63 -4.077 4.149 5.195 1.00 0.00 C ATOM 894 O GLY A 63 -3.242 4.672 4.454 1.00 0.00 O ATOM 0 H GLY A 63 -2.126 1.809 5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.070 2.099 4.523 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.882 2.342 6.057 1.00 0.00 H new ATOM 898 N SER A 64 -5.017 4.852 5.823 1.00 0.00 N ATOM 899 CA SER A 64 -5.229 6.281 5.637 1.00 0.00 C ATOM 900 C SER A 64 -4.146 7.172 6.260 1.00 0.00 C ATOM 901 O SER A 64 -4.145 8.375 5.997 1.00 0.00 O ATOM 902 CB SER A 64 -6.639 6.649 6.112 1.00 0.00 C ATOM 903 OG SER A 64 -7.028 6.053 7.339 1.00 0.00 O ATOM 0 H SER A 64 -5.665 4.432 6.489 1.00 0.00 H new ATOM 0 HA SER A 64 -5.142 6.484 4.570 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.701 7.732 6.215 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.354 6.360 5.341 1.00 0.00 H new ATOM 0 HG SER A 64 -7.936 6.341 7.569 1.00 0.00 H new ATOM 909 N SER A 65 -3.204 6.626 7.028 1.00 0.00 N ATOM 910 CA SER A 65 -2.127 7.401 7.635 1.00 0.00 C ATOM 911 C SER A 65 -0.795 7.045 6.964 1.00 0.00 C ATOM 912 O SER A 65 -0.573 5.896 6.561 1.00 0.00 O ATOM 913 CB SER A 65 -2.147 7.174 9.152 1.00 0.00 C ATOM 914 OG SER A 65 -3.447 7.476 9.644 1.00 0.00 O ATOM 0 H SER A 65 -3.168 5.630 7.246 1.00 0.00 H new ATOM 0 HA SER A 65 -2.265 8.471 7.476 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.887 6.141 9.382 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.403 7.806 9.638 1.00 0.00 H new ATOM 0 HG SER A 65 -3.471 7.333 10.613 1.00 0.00 H new ATOM 920 N VAL A 66 0.082 8.041 6.823 1.00 0.00 N ATOM 921 CA VAL A 66 1.376 7.954 6.150 1.00 0.00 C ATOM 922 C VAL A 66 2.469 8.044 7.223 1.00 0.00 C ATOM 923 O VAL A 66 2.242 8.607 8.297 1.00 0.00 O ATOM 924 CB VAL A 66 1.506 9.107 5.110 1.00 0.00 C ATOM 925 CG1 VAL A 66 2.621 8.826 4.089 1.00 0.00 C ATOM 926 CG2 VAL A 66 0.215 9.407 4.319 1.00 0.00 C ATOM 0 H VAL A 66 -0.101 8.974 7.193 1.00 0.00 H new ATOM 0 HA VAL A 66 1.475 7.012 5.610 1.00 0.00 H new ATOM 0 HB VAL A 66 1.739 9.980 5.720 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.682 9.652 3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.573 8.724 4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.399 7.903 3.553 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.398 10.222 3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.089 8.517 3.768 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.577 9.693 5.011 1.00 0.00 H new ATOM 936 N SER A 67 3.668 7.537 6.938 1.00 0.00 N ATOM 937 CA SER A 67 4.892 7.849 7.667 1.00 0.00 C ATOM 938 C SER A 67 6.081 7.566 6.756 1.00 0.00 C ATOM 939 O SER A 67 6.009 6.650 5.933 1.00 0.00 O ATOM 940 CB SER A 67 5.043 7.009 8.948 1.00 0.00 C ATOM 941 OG SER A 67 3.971 6.105 9.177 1.00 0.00 O ATOM 0 H SER A 67 3.816 6.880 6.172 1.00 0.00 H new ATOM 0 HA SER A 67 4.849 8.898 7.961 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.974 6.445 8.893 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.127 7.680 9.802 1.00 0.00 H new ATOM 0 HG SER A 67 3.950 5.434 8.463 1.00 0.00 H new ATOM 947 N TYR A 68 7.191 8.265 6.968 1.00 0.00 N ATOM 948 CA TYR A 68 8.509 7.851 6.519 1.00 0.00 C ATOM 949 C TYR A 68 9.572 8.474 7.415 1.00 0.00 C ATOM 950 O TYR A 68 9.271 9.311 8.272 1.00 0.00 O ATOM 951 CB TYR A 68 8.728 8.219 5.044 1.00 0.00 C ATOM 952 CG TYR A 68 8.344 9.627 4.631 1.00 0.00 C ATOM 953 CD1 TYR A 68 9.249 10.694 4.792 1.00 0.00 C ATOM 954 CD2 TYR A 68 7.118 9.837 3.970 1.00 0.00 C ATOM 955 CE1 TYR A 68 8.928 11.973 4.299 1.00 0.00 C ATOM 956 CE2 TYR A 68 6.812 11.096 3.435 1.00 0.00 C ATOM 957 CZ TYR A 68 7.708 12.175 3.612 1.00 0.00 C ATOM 958 OH TYR A 68 7.391 13.393 3.096 1.00 0.00 O ATOM 0 H TYR A 68 7.196 9.154 7.468 1.00 0.00 H new ATOM 0 HA TYR A 68 8.587 6.766 6.592 1.00 0.00 H new ATOM 0 HB2 TYR A 68 9.782 8.070 4.809 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.162 7.518 4.430 1.00 0.00 H new ATOM 0 HD1 TYR A 68 10.191 10.531 5.295 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.412 9.026 3.875 1.00 0.00 H new ATOM 0 HE1 TYR A 68 9.611 12.797 4.445 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.892 11.242 2.888 1.00 0.00 H new ATOM 0 HH TYR A 68 6.516 13.345 2.658 1.00 0.00 H new ATOM 968 N ASP A 69 10.816 8.062 7.193 1.00 0.00 N ATOM 969 CA ASP A 69 12.014 8.708 7.721 1.00 0.00 C ATOM 970 C ASP A 69 12.862 9.286 6.585 1.00 0.00 C ATOM 971 O ASP A 69 12.606 9.037 5.406 1.00 0.00 O ATOM 972 CB ASP A 69 12.813 7.702 8.564 1.00 0.00 C ATOM 973 CG ASP A 69 12.283 7.710 9.990 1.00 0.00 C ATOM 974 OD1 ASP A 69 12.457 8.762 10.649 1.00 0.00 O ATOM 975 OD2 ASP A 69 11.645 6.701 10.388 1.00 0.00 O ATOM 0 H ASP A 69 11.025 7.243 6.622 1.00 0.00 H new ATOM 0 HA ASP A 69 11.721 9.539 8.362 1.00 0.00 H new ATOM 0 HB2 ASP A 69 12.727 6.703 8.137 1.00 0.00 H new ATOM 0 HB3 ASP A 69 13.871 7.962 8.555 1.00 0.00 H new ATOM 980 N GLU A 70 13.883 10.064 6.938 1.00 0.00 N ATOM 981 CA GLU A 70 14.968 10.451 6.039 1.00 0.00 C ATOM 982 C GLU A 70 15.972 9.299 5.974 1.00 0.00 C ATOM 983 O GLU A 70 16.065 8.446 6.867 1.00 0.00 O ATOM 984 CB GLU A 70 15.651 11.710 6.602 1.00 0.00 C ATOM 985 CG GLU A 70 14.932 13.023 6.259 1.00 0.00 C ATOM 986 CD GLU A 70 14.916 14.005 7.438 1.00 0.00 C ATOM 987 OE1 GLU A 70 15.988 14.226 8.059 1.00 0.00 O ATOM 988 OE2 GLU A 70 13.840 14.564 7.744 1.00 0.00 O ATOM 0 H GLU A 70 13.981 10.451 7.877 1.00 0.00 H new ATOM 0 HA GLU A 70 14.587 10.664 5.040 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.719 11.619 7.686 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.671 11.757 6.221 1.00 0.00 H new ATOM 0 HG2 GLU A 70 15.423 13.491 5.406 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.908 12.805 5.957 1.00 0.00 H new ATOM 995 N ASN A 71 16.753 9.304 4.899 1.00 0.00 N ATOM 996 CA ASN A 71 17.846 8.382 4.623 1.00 0.00 C ATOM 997 C ASN A 71 18.979 8.482 5.671 1.00 0.00 C ATOM 998 O ASN A 71 18.983 9.396 6.501 1.00 0.00 O ATOM 999 CB ASN A 71 18.296 8.535 3.156 1.00 0.00 C ATOM 1000 CG ASN A 71 19.454 9.495 2.916 1.00 0.00 C ATOM 1001 OD1 ASN A 71 20.238 9.822 3.795 1.00 0.00 O ATOM 1002 ND2 ASN A 71 19.602 9.961 1.699 1.00 0.00 N ATOM 0 H ASN A 71 16.632 9.991 4.155 1.00 0.00 H new ATOM 0 HA ASN A 71 17.494 7.356 4.731 1.00 0.00 H new ATOM 0 HB2 ASN A 71 18.579 7.553 2.778 1.00 0.00 H new ATOM 0 HB3 ASN A 71 17.442 8.870 2.567 1.00 0.00 H new ATOM 0 HD21 ASN A 71 20.371 10.596 1.486 1.00 0.00 H new ATOM 0 HD22 ASN A 71 18.948 9.688 0.965 1.00 0.00 H new ATOM 1009 N PRO A 72 19.923 7.525 5.695 1.00 0.00 N ATOM 1010 CA PRO A 72 21.048 7.501 6.623 1.00 0.00 C ATOM 1011 C PRO A 72 22.344 8.176 6.123 1.00 0.00 C ATOM 1012 O PRO A 72 23.280 8.325 6.908 1.00 0.00 O ATOM 1013 CB PRO A 72 21.290 6.003 6.790 1.00 0.00 C ATOM 1014 CG PRO A 72 21.068 5.465 5.385 1.00 0.00 C ATOM 1015 CD PRO A 72 19.943 6.339 4.858 1.00 0.00 C ATOM 0 HA PRO A 72 20.808 8.062 7.526 1.00 0.00 H new ATOM 0 HB2 PRO A 72 22.298 5.794 7.148 1.00 0.00 H new ATOM 0 HB3 PRO A 72 20.599 5.559 7.507 1.00 0.00 H new ATOM 0 HG2 PRO A 72 21.966 5.551 4.773 1.00 0.00 H new ATOM 0 HG3 PRO A 72 20.789 4.411 5.396 1.00 0.00 H new ATOM 0 HD2 PRO A 72 20.112 6.603 3.814 1.00 0.00 H new ATOM 0 HD3 PRO A 72 18.989 5.814 4.904 1.00 0.00 H new ATOM 1023 N ALA A 73 22.469 8.545 4.841 1.00 0.00 N ATOM 1024 CA ALA A 73 23.691 9.092 4.249 1.00 0.00 C ATOM 1025 C ALA A 73 23.337 10.137 3.202 1.00 0.00 C ATOM 1026 O ALA A 73 22.462 9.917 2.375 1.00 0.00 O ATOM 1027 CB ALA A 73 24.501 7.995 3.563 1.00 0.00 C ATOM 0 H ALA A 73 21.702 8.468 4.173 1.00 0.00 H new ATOM 0 HA ALA A 73 24.279 9.536 5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 73 25.404 8.426 3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 73 24.776 7.234 4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 73 23.902 7.540 2.774 1.00 0.00 H new ATOM 1033 N LYS A 74 24.111 11.215 3.122 1.00 0.00 N ATOM 1034 CA LYS A 74 23.777 12.539 2.618 1.00 0.00 C ATOM 1035 C LYS A 74 23.618 12.604 1.102 1.00 0.00 C ATOM 1036 O LYS A 74 23.513 13.691 0.532 1.00 0.00 O ATOM 1037 CB LYS A 74 24.775 13.555 3.177 1.00 0.00 C ATOM 1038 CG LYS A 74 26.214 13.359 2.712 1.00 0.00 C ATOM 1039 CD LYS A 74 26.939 12.181 3.384 1.00 0.00 C ATOM 1040 CE LYS A 74 28.445 12.410 3.477 1.00 0.00 C ATOM 1041 NZ LYS A 74 29.072 11.360 4.304 1.00 0.00 N ATOM 0 H LYS A 74 25.080 11.178 3.439 1.00 0.00 H new ATOM 0 HA LYS A 74 22.782 12.799 2.979 1.00 0.00 H new ATOM 0 HB2 LYS A 74 24.450 14.556 2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 74 24.750 13.507 4.266 1.00 0.00 H new ATOM 0 HG2 LYS A 74 26.217 13.205 1.633 1.00 0.00 H new ATOM 0 HG3 LYS A 74 26.774 14.274 2.905 1.00 0.00 H new ATOM 0 HD2 LYS A 74 26.534 12.030 4.384 1.00 0.00 H new ATOM 0 HD3 LYS A 74 26.746 11.268 2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 74 28.883 12.406 2.479 1.00 0.00 H new ATOM 0 HE3 LYS A 74 28.645 13.391 3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 30.097 11.527 4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 28.665 11.383 5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 28.896 10.429 3.875 1.00 0.00 H new ATOM 1055 N GLU A 75 23.617 11.449 0.446 1.00 0.00 N ATOM 1056 CA GLU A 75 23.146 11.324 -0.908 1.00 0.00 C ATOM 1057 C GLU A 75 21.649 11.712 -0.975 1.00 0.00 C ATOM 1058 O GLU A 75 20.990 11.781 0.061 1.00 0.00 O ATOM 1059 CB GLU A 75 23.389 9.882 -1.395 1.00 0.00 C ATOM 1060 CG GLU A 75 24.850 9.649 -1.805 1.00 0.00 C ATOM 1061 CD GLU A 75 25.004 8.403 -2.682 1.00 0.00 C ATOM 1062 OE1 GLU A 75 24.688 8.494 -3.902 1.00 0.00 O ATOM 1063 OE2 GLU A 75 25.429 7.338 -2.178 1.00 0.00 O ATOM 0 H GLU A 75 23.947 10.573 0.851 1.00 0.00 H new ATOM 0 HA GLU A 75 23.691 12.001 -1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 75 23.119 9.182 -0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 75 22.737 9.672 -2.243 1.00 0.00 H new ATOM 0 HG2 GLU A 75 25.219 10.521 -2.345 1.00 0.00 H new ATOM 0 HG3 GLU A 75 25.465 9.543 -0.912 1.00 0.00 H new ATOM 1070 N ARG A 76 21.083 11.926 -2.170 1.00 0.00 N ATOM 1071 CA ARG A 76 19.700 12.361 -2.381 1.00 0.00 C ATOM 1072 C ARG A 76 18.982 11.401 -3.332 1.00 0.00 C ATOM 1073 O ARG A 76 19.378 11.268 -4.500 1.00 0.00 O ATOM 1074 CB ARG A 76 19.689 13.791 -2.952 1.00 0.00 C ATOM 1075 CG ARG A 76 18.497 14.593 -2.433 1.00 0.00 C ATOM 1076 CD ARG A 76 17.914 15.632 -3.399 1.00 0.00 C ATOM 1077 NE ARG A 76 18.897 16.670 -3.739 1.00 0.00 N ATOM 1078 CZ ARG A 76 19.213 17.746 -3.005 1.00 0.00 C ATOM 1079 NH1 ARG A 76 18.572 18.058 -1.884 1.00 0.00 N ATOM 1080 NH2 ARG A 76 20.220 18.502 -3.417 1.00 0.00 N ATOM 0 H ARG A 76 21.593 11.796 -3.044 1.00 0.00 H new ATOM 0 HA ARG A 76 19.174 12.356 -1.426 1.00 0.00 H new ATOM 0 HB2 ARG A 76 20.615 14.298 -2.682 1.00 0.00 H new ATOM 0 HB3 ARG A 76 19.654 13.749 -4.041 1.00 0.00 H new ATOM 0 HG2 ARG A 76 17.705 13.895 -2.161 1.00 0.00 H new ATOM 0 HG3 ARG A 76 18.799 15.105 -1.519 1.00 0.00 H new ATOM 0 HD2 ARG A 76 17.580 15.135 -4.310 1.00 0.00 H new ATOM 0 HD3 ARG A 76 17.036 16.096 -2.949 1.00 0.00 H new ATOM 0 HE ARG A 76 19.390 16.560 -4.625 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.808 17.469 -1.553 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.844 18.886 -1.355 1.00 0.00 H new ATOM 0 HH21 ARG A 76 20.727 18.257 -4.268 1.00 0.00 H new ATOM 0 HH22 ARG A 76 20.489 19.329 -2.883 1.00 0.00 H new ATOM 1094 N ARG A 77 17.915 10.749 -2.881 1.00 0.00 N ATOM 1095 CA ARG A 77 17.155 9.758 -3.655 1.00 0.00 C ATOM 1096 C ARG A 77 15.656 9.975 -3.464 1.00 0.00 C ATOM 1097 O ARG A 77 15.244 11.007 -2.945 1.00 0.00 O ATOM 1098 CB ARG A 77 17.590 8.323 -3.278 1.00 0.00 C ATOM 1099 CG ARG A 77 19.012 7.930 -3.691 1.00 0.00 C ATOM 1100 CD ARG A 77 19.214 8.012 -5.210 1.00 0.00 C ATOM 1101 NE ARG A 77 19.895 6.821 -5.746 1.00 0.00 N ATOM 1102 CZ ARG A 77 19.480 6.015 -6.731 1.00 0.00 C ATOM 1103 NH1 ARG A 77 18.291 6.197 -7.292 1.00 0.00 N ATOM 1104 NH2 ARG A 77 20.262 5.023 -7.157 1.00 0.00 N ATOM 0 H ARG A 77 17.541 10.895 -1.943 1.00 0.00 H new ATOM 0 HA ARG A 77 17.372 9.890 -4.715 1.00 0.00 H new ATOM 0 HB2 ARG A 77 17.500 8.208 -2.198 1.00 0.00 H new ATOM 0 HB3 ARG A 77 16.892 7.620 -3.733 1.00 0.00 H new ATOM 0 HG2 ARG A 77 19.728 8.585 -3.194 1.00 0.00 H new ATOM 0 HG3 ARG A 77 19.220 6.915 -3.352 1.00 0.00 H new ATOM 0 HD2 ARG A 77 18.246 8.125 -5.698 1.00 0.00 H new ATOM 0 HD3 ARG A 77 19.798 8.901 -5.450 1.00 0.00 H new ATOM 0 HE ARG A 77 20.788 6.582 -5.316 1.00 0.00 H new ATOM 0 HH11 ARG A 77 17.687 6.955 -6.973 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.981 5.579 -8.042 1.00 0.00 H new ATOM 0 HH21 ARG A 77 21.178 4.877 -6.732 1.00 0.00 H new ATOM 0 HH22 ARG A 77 19.944 4.410 -7.908 1.00 0.00 H new ATOM 1118 N THR A 78 14.850 9.015 -3.921 1.00 0.00 N ATOM 1119 CA THR A 78 13.464 8.874 -3.524 1.00 0.00 C ATOM 1120 C THR A 78 13.196 7.426 -3.146 1.00 0.00 C ATOM 1121 O THR A 78 13.869 6.506 -3.629 1.00 0.00 O ATOM 1122 CB THR A 78 12.529 9.413 -4.629 1.00 0.00 C ATOM 1123 OG1 THR A 78 11.150 9.366 -4.304 1.00 0.00 O ATOM 1124 CG2 THR A 78 12.677 8.680 -5.965 1.00 0.00 C ATOM 0 H THR A 78 15.155 8.306 -4.588 1.00 0.00 H new ATOM 0 HA THR A 78 13.255 9.477 -2.641 1.00 0.00 H new ATOM 0 HB THR A 78 12.855 10.449 -4.716 1.00 0.00 H new ATOM 0 HG1 THR A 78 10.881 8.436 -4.153 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.991 9.111 -6.694 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.701 8.783 -6.325 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.445 7.624 -5.828 1.00 0.00 H new ATOM 1132 N GLY A 79 12.176 7.221 -2.322 1.00 0.00 N ATOM 1133 CA GLY A 79 11.505 5.941 -2.169 1.00 0.00 C ATOM 1134 C GLY A 79 10.311 5.871 -3.110 1.00 0.00 C ATOM 1135 O GLY A 79 10.047 6.832 -3.846 1.00 0.00 O ATOM 0 H GLY A 79 11.786 7.955 -1.731 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.198 5.128 -2.385 1.00 0.00 H new ATOM 0 HA3 GLY A 79 11.175 5.813 -1.138 1.00 0.00 H new ATOM 1139 N LEU A 80 9.596 4.750 -3.060 1.00 0.00 N ATOM 1140 CA LEU A 80 8.225 4.621 -3.524 1.00 0.00 C ATOM 1141 C LEU A 80 7.514 3.589 -2.647 1.00 0.00 C ATOM 1142 O LEU A 80 8.149 2.723 -2.042 1.00 0.00 O ATOM 1143 CB LEU A 80 8.195 4.183 -5.000 1.00 0.00 C ATOM 1144 CG LEU A 80 6.965 4.706 -5.760 1.00 0.00 C ATOM 1145 CD1 LEU A 80 7.190 6.168 -6.153 1.00 0.00 C ATOM 1146 CD2 LEU A 80 6.735 3.885 -7.031 1.00 0.00 C ATOM 0 H LEU A 80 9.971 3.880 -2.682 1.00 0.00 H new ATOM 0 HA LEU A 80 7.718 5.583 -3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.099 4.537 -5.496 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.210 3.094 -5.050 1.00 0.00 H new ATOM 0 HG LEU A 80 6.093 4.620 -5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.318 6.538 -6.692 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.343 6.767 -5.255 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.070 6.242 -6.792 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.861 4.267 -7.558 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.610 3.961 -7.677 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.570 2.841 -6.765 1.00 0.00 H new ATOM 1158 N VAL A 81 6.186 3.626 -2.647 1.00 0.00 N ATOM 1159 CA VAL A 81 5.338 2.545 -2.174 1.00 0.00 C ATOM 1160 C VAL A 81 4.242 2.416 -3.219 1.00 0.00 C ATOM 1161 O VAL A 81 3.867 3.407 -3.854 1.00 0.00 O ATOM 1162 CB VAL A 81 4.764 2.826 -0.767 1.00 0.00 C ATOM 1163 CG1 VAL A 81 4.254 1.567 -0.067 1.00 0.00 C ATOM 1164 CG2 VAL A 81 5.796 3.431 0.184 1.00 0.00 C ATOM 0 H VAL A 81 5.659 4.431 -2.985 1.00 0.00 H new ATOM 0 HA VAL A 81 5.899 1.618 -2.061 1.00 0.00 H new ATOM 0 HB VAL A 81 3.949 3.523 -0.961 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.864 1.830 0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.461 1.115 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.073 0.857 0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.336 3.607 1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.633 2.743 0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.156 4.376 -0.223 1.00 0.00 H new ATOM 1174 N THR A 82 3.715 1.210 -3.355 1.00 0.00 N ATOM 1175 CA THR A 82 2.642 0.866 -4.266 1.00 0.00 C ATOM 1176 C THR A 82 1.542 0.237 -3.405 1.00 0.00 C ATOM 1177 O THR A 82 1.810 -0.263 -2.309 1.00 0.00 O ATOM 1178 CB THR A 82 3.231 -0.054 -5.350 1.00 0.00 C ATOM 1179 OG1 THR A 82 4.334 0.594 -5.961 1.00 0.00 O ATOM 1180 CG2 THR A 82 2.243 -0.416 -6.461 1.00 0.00 C ATOM 0 H THR A 82 4.039 0.412 -2.809 1.00 0.00 H new ATOM 0 HA THR A 82 2.199 1.708 -4.797 1.00 0.00 H new ATOM 0 HB THR A 82 3.513 -0.975 -4.840 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.714 0.012 -6.651 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.733 -1.066 -7.186 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.385 -0.933 -6.031 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.906 0.493 -6.959 1.00 0.00 H new ATOM 1188 N LEU A 83 0.291 0.297 -3.858 1.00 0.00 N ATOM 1189 CA LEU A 83 -0.880 -0.143 -3.102 1.00 0.00 C ATOM 1190 C LEU A 83 -1.907 -0.746 -4.042 1.00 0.00 C ATOM 1191 O LEU A 83 -1.806 -0.551 -5.250 1.00 0.00 O ATOM 1192 CB LEU A 83 -1.518 1.013 -2.296 1.00 0.00 C ATOM 1193 CG LEU A 83 -1.814 2.283 -3.104 1.00 0.00 C ATOM 1194 CD1 LEU A 83 -3.082 2.957 -2.572 1.00 0.00 C ATOM 1195 CD2 LEU A 83 -0.596 3.225 -3.001 1.00 0.00 C ATOM 0 H LEU A 83 0.058 0.661 -4.782 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.546 -0.897 -2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.449 0.657 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.853 1.272 -1.472 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.986 2.035 -4.151 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -3.285 3.858 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.924 2.270 -2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.941 3.223 -1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.790 4.134 -3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.422 3.482 -1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.285 2.726 -3.404 1.00 0.00 H new ATOM 1207 N LYS A 84 -2.913 -1.425 -3.490 1.00 0.00 N ATOM 1208 CA LYS A 84 -4.125 -1.846 -4.186 1.00 0.00 C ATOM 1209 C LYS A 84 -5.309 -1.598 -3.264 1.00 0.00 C ATOM 1210 O LYS A 84 -5.119 -1.537 -2.053 1.00 0.00 O ATOM 1211 CB LYS A 84 -4.066 -3.340 -4.537 1.00 0.00 C ATOM 1212 CG LYS A 84 -4.634 -3.563 -5.945 1.00 0.00 C ATOM 1213 CD LYS A 84 -5.322 -4.924 -6.085 1.00 0.00 C ATOM 1214 CE LYS A 84 -5.516 -5.254 -7.569 1.00 0.00 C ATOM 1215 NZ LYS A 84 -6.001 -6.625 -7.817 1.00 0.00 N ATOM 0 H LYS A 84 -2.904 -1.706 -2.510 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.223 -1.281 -5.113 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.036 -3.694 -4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.636 -3.917 -3.809 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.348 -2.772 -6.176 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.828 -3.489 -6.675 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.721 -5.697 -5.606 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.286 -4.909 -5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -6.223 -4.545 -7.999 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.568 -5.114 -8.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.108 -6.775 -8.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.317 -7.309 -7.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.920 -6.758 -7.349 1.00 0.00 H new ATOM 1229 N GLN A 85 -6.510 -1.487 -3.823 1.00 0.00 N ATOM 1230 CA GLN A 85 -7.759 -1.215 -3.125 1.00 0.00 C ATOM 1231 C GLN A 85 -8.619 -2.465 -3.304 1.00 0.00 C ATOM 1232 O GLN A 85 -8.708 -2.947 -4.429 1.00 0.00 O ATOM 1233 CB GLN A 85 -8.414 0.014 -3.790 1.00 0.00 C ATOM 1234 CG GLN A 85 -9.205 0.934 -2.847 1.00 0.00 C ATOM 1235 CD GLN A 85 -9.765 2.130 -3.609 1.00 0.00 C ATOM 1236 OE1 GLN A 85 -9.093 3.140 -3.781 1.00 0.00 O ATOM 1237 NE2 GLN A 85 -10.971 2.032 -4.142 1.00 0.00 N ATOM 0 H GLN A 85 -6.644 -1.590 -4.829 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.625 -1.000 -2.065 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.634 0.602 -4.273 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.084 -0.334 -4.576 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.020 0.376 -2.385 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.558 1.280 -2.041 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.526 1.189 -3.996 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.346 2.799 -4.699 1.00 0.00 H new ATOM 1246 N ASP A 86 -9.337 -2.900 -2.265 1.00 0.00 N ATOM 1247 CA ASP A 86 -9.994 -4.221 -2.153 1.00 0.00 C ATOM 1248 C ASP A 86 -10.746 -4.647 -3.422 1.00 0.00 C ATOM 1249 O ASP A 86 -10.294 -5.520 -4.153 1.00 0.00 O ATOM 1250 CB ASP A 86 -10.951 -4.177 -0.944 1.00 0.00 C ATOM 1251 CG ASP A 86 -11.871 -5.384 -0.725 1.00 0.00 C ATOM 1252 OD1 ASP A 86 -11.670 -6.457 -1.345 1.00 0.00 O ATOM 1253 OD2 ASP A 86 -12.833 -5.223 0.051 1.00 0.00 O ATOM 0 H ASP A 86 -9.488 -2.322 -1.439 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.217 -4.972 -2.015 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -10.350 -4.044 -0.044 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.577 -3.290 -1.043 1.00 0.00 H new ATOM 1258 N GLU A 87 -11.888 -4.022 -3.685 1.00 0.00 N ATOM 1259 CA GLU A 87 -12.819 -4.328 -4.761 1.00 0.00 C ATOM 1260 C GLU A 87 -12.491 -3.591 -6.062 1.00 0.00 C ATOM 1261 O GLU A 87 -13.124 -3.822 -7.094 1.00 0.00 O ATOM 1262 CB GLU A 87 -14.197 -3.874 -4.281 1.00 0.00 C ATOM 1263 CG GLU A 87 -14.771 -4.783 -3.201 1.00 0.00 C ATOM 1264 CD GLU A 87 -15.353 -6.019 -3.862 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -14.594 -6.959 -4.169 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -16.573 -6.025 -4.141 1.00 0.00 O ATOM 0 H GLU A 87 -12.207 -3.238 -3.115 1.00 0.00 H new ATOM 0 HA GLU A 87 -12.767 -5.394 -4.981 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -14.126 -2.857 -3.895 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -14.882 -3.846 -5.129 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.993 -5.065 -2.492 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -15.542 -4.258 -2.636 1.00 0.00 H new ATOM 1273 N SER A 88 -11.548 -2.661 -5.996 1.00 0.00 N ATOM 1274 CA SER A 88 -10.975 -1.901 -7.098 1.00 0.00 C ATOM 1275 C SER A 88 -9.609 -2.517 -7.395 1.00 0.00 C ATOM 1276 O SER A 88 -9.439 -3.722 -7.197 1.00 0.00 O ATOM 1277 CB SER A 88 -10.980 -0.392 -6.823 1.00 0.00 C ATOM 1278 OG SER A 88 -12.049 -0.040 -5.969 1.00 0.00 O ATOM 0 H SER A 88 -11.132 -2.399 -5.102 1.00 0.00 H new ATOM 0 HA SER A 88 -11.581 -1.972 -8.001 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.034 -0.098 -6.369 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.065 0.153 -7.763 1.00 0.00 H new ATOM 0 HG SER A 88 -12.887 -0.401 -6.327 1.00 0.00 H new ATOM 1284 N GLY A 89 -8.662 -1.755 -7.942 1.00 0.00 N ATOM 1285 CA GLY A 89 -7.350 -2.332 -8.201 1.00 0.00 C ATOM 1286 C GLY A 89 -6.237 -1.342 -8.509 1.00 0.00 C ATOM 1287 O GLY A 89 -5.108 -1.772 -8.751 1.00 0.00 O ATOM 0 H GLY A 89 -8.773 -0.776 -8.204 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.056 -2.921 -7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.438 -3.023 -9.040 1.00 0.00 H new ATOM 1291 N LYS A 90 -6.529 -0.038 -8.517 1.00 0.00 N ATOM 1292 CA LYS A 90 -5.639 1.025 -8.813 1.00 0.00 C ATOM 1293 C LYS A 90 -4.460 1.023 -7.864 1.00 0.00 C ATOM 1294 O LYS A 90 -4.603 0.651 -6.696 1.00 0.00 O ATOM 1295 CB LYS A 90 -6.535 2.254 -8.649 1.00 0.00 C ATOM 1296 CG LYS A 90 -5.728 3.465 -8.983 1.00 0.00 C ATOM 1297 CD LYS A 90 -6.567 4.725 -8.998 1.00 0.00 C ATOM 1298 CE LYS A 90 -5.655 5.943 -9.010 1.00 0.00 C ATOM 1299 NZ LYS A 90 -5.777 6.696 -10.266 1.00 0.00 N ATOM 0 H LYS A 90 -7.467 0.298 -8.298 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.183 0.970 -9.802 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.403 2.182 -9.305 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.911 2.317 -7.628 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.923 3.575 -8.256 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.260 3.330 -9.958 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.214 4.733 -9.875 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.216 4.752 -8.123 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.902 6.592 -8.170 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.621 5.626 -8.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.851 7.092 -10.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.105 6.061 -11.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.462 7.469 -10.142 1.00 0.00 H new ATOM 1313 N THR A 91 -3.355 1.563 -8.352 1.00 0.00 N ATOM 1314 CA THR A 91 -2.135 1.757 -7.612 1.00 0.00 C ATOM 1315 C THR A 91 -1.801 3.256 -7.659 1.00 0.00 C ATOM 1316 O THR A 91 -2.141 3.953 -8.626 1.00 0.00 O ATOM 1317 CB THR A 91 -1.069 0.801 -8.188 1.00 0.00 C ATOM 1318 OG1 THR A 91 -0.589 1.228 -9.444 1.00 0.00 O ATOM 1319 CG2 THR A 91 -1.579 -0.640 -8.417 1.00 0.00 C ATOM 0 H THR A 91 -3.289 1.889 -9.316 1.00 0.00 H new ATOM 0 HA THR A 91 -2.205 1.502 -6.555 1.00 0.00 H new ATOM 0 HB THR A 91 -0.290 0.813 -7.426 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.084 0.595 -9.769 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.773 -1.251 -8.823 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.913 -1.063 -7.469 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.411 -0.624 -9.120 1.00 0.00 H new ATOM 1327 N LEU A 92 -1.199 3.765 -6.582 1.00 0.00 N ATOM 1328 CA LEU A 92 -0.699 5.135 -6.446 1.00 0.00 C ATOM 1329 C LEU A 92 0.819 5.031 -6.247 1.00 0.00 C ATOM 1330 O LEU A 92 1.401 3.954 -6.409 1.00 0.00 O ATOM 1331 CB LEU A 92 -1.405 5.872 -5.288 1.00 0.00 C ATOM 1332 CG LEU A 92 -2.944 5.928 -5.380 1.00 0.00 C ATOM 1333 CD1 LEU A 92 -3.464 6.501 -4.063 1.00 0.00 C ATOM 1334 CD2 LEU A 92 -3.472 6.792 -6.540 1.00 0.00 C ATOM 0 H LEU A 92 -1.039 3.208 -5.743 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.914 5.728 -7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.131 5.387 -4.351 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.023 6.892 -5.243 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.298 4.915 -5.570 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.552 6.555 -4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.156 5.857 -3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.056 7.501 -3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.562 6.780 -6.536 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.120 7.817 -6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.108 6.392 -7.486 1.00 0.00 H new ATOM 1346 N SER A 93 1.465 6.140 -5.906 1.00 0.00 N ATOM 1347 CA SER A 93 2.897 6.239 -5.690 1.00 0.00 C ATOM 1348 C SER A 93 3.156 7.218 -4.538 1.00 0.00 C ATOM 1349 O SER A 93 2.292 8.048 -4.248 1.00 0.00 O ATOM 1350 CB SER A 93 3.575 6.707 -6.988 1.00 0.00 C ATOM 1351 OG SER A 93 2.690 7.307 -7.922 1.00 0.00 O ATOM 0 H SER A 93 0.983 7.028 -5.768 1.00 0.00 H new ATOM 0 HA SER A 93 3.315 5.269 -5.421 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.360 7.421 -6.738 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.060 5.852 -7.460 1.00 0.00 H new ATOM 0 HG SER A 93 2.774 8.282 -7.872 1.00 0.00 H new ATOM 1357 N LEU A 94 4.351 7.156 -3.934 1.00 0.00 N ATOM 1358 CA LEU A 94 4.820 8.008 -2.838 1.00 0.00 C ATOM 1359 C LEU A 94 6.262 8.426 -3.133 1.00 0.00 C ATOM 1360 O LEU A 94 7.200 7.834 -2.605 1.00 0.00 O ATOM 1361 CB LEU A 94 4.695 7.252 -1.498 1.00 0.00 C ATOM 1362 CG LEU A 94 5.201 8.000 -0.235 1.00 0.00 C ATOM 1363 CD1 LEU A 94 5.060 9.538 -0.217 1.00 0.00 C ATOM 1364 CD2 LEU A 94 4.499 7.447 1.011 1.00 0.00 C ATOM 0 H LEU A 94 5.053 6.471 -4.214 1.00 0.00 H new ATOM 0 HA LEU A 94 4.210 8.907 -2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.646 6.996 -1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.243 6.314 -1.582 1.00 0.00 H new ATOM 0 HG LEU A 94 6.275 7.812 -0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.452 9.928 0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.620 9.964 -1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.008 9.808 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.857 7.975 1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.423 7.589 0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.718 6.384 1.110 1.00 0.00 H new ATOM 1376 N LYS A 95 6.460 9.400 -4.024 1.00 0.00 N ATOM 1377 CA LYS A 95 7.805 9.866 -4.382 1.00 0.00 C ATOM 1378 C LYS A 95 8.311 10.870 -3.348 1.00 0.00 C ATOM 1379 O LYS A 95 8.081 12.069 -3.488 1.00 0.00 O ATOM 1380 CB LYS A 95 7.828 10.455 -5.800 1.00 0.00 C ATOM 1381 CG LYS A 95 8.074 9.380 -6.851 1.00 0.00 C ATOM 1382 CD LYS A 95 8.376 9.954 -8.235 1.00 0.00 C ATOM 1383 CE LYS A 95 9.817 10.466 -8.353 1.00 0.00 C ATOM 1384 NZ LYS A 95 10.082 10.959 -9.718 1.00 0.00 N ATOM 0 H LYS A 95 5.706 9.883 -4.512 1.00 0.00 H new ATOM 0 HA LYS A 95 8.480 9.010 -4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.880 10.953 -6.003 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.607 11.214 -5.866 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.908 8.754 -6.534 1.00 0.00 H new ATOM 0 HG3 LYS A 95 7.198 8.735 -6.915 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.203 9.187 -8.989 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.685 10.770 -8.446 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.985 11.266 -7.632 1.00 0.00 H new ATOM 0 HE3 LYS A 95 10.515 9.665 -8.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 11.062 11.302 -9.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.942 10.186 -10.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.429 11.738 -9.939 1.00 0.00 H new ATOM 1398 N ILE A 96 8.968 10.390 -2.301 1.00 0.00 N ATOM 1399 CA ILE A 96 9.597 11.222 -1.282 1.00 0.00 C ATOM 1400 C ILE A 96 10.972 11.613 -1.827 1.00 0.00 C ATOM 1401 O ILE A 96 11.912 10.845 -1.644 1.00 0.00 O ATOM 1402 CB ILE A 96 9.742 10.430 0.043 1.00 0.00 C ATOM 1403 CG1 ILE A 96 8.435 9.771 0.518 1.00 0.00 C ATOM 1404 CG2 ILE A 96 10.301 11.347 1.143 1.00 0.00 C ATOM 1405 CD1 ILE A 96 8.736 8.577 1.423 1.00 0.00 C ATOM 0 H ILE A 96 9.081 9.391 -2.132 1.00 0.00 H new ATOM 0 HA ILE A 96 8.997 12.106 -1.067 1.00 0.00 H new ATOM 0 HB ILE A 96 10.437 9.615 -0.160 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.828 10.499 1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.852 9.444 -0.343 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.400 10.784 2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 96 11.278 11.724 0.841 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.621 12.185 1.298 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.800 8.123 1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 96 9.323 7.842 0.872 1.00 0.00 H new ATOM 0 HD13 ILE A 96 9.299 8.913 2.293 1.00 0.00 H new ATOM 1417 N VAL A 97 11.132 12.748 -2.509 1.00 0.00 N ATOM 1418 CA VAL A 97 12.463 13.204 -2.897 1.00 0.00 C ATOM 1419 C VAL A 97 12.990 14.030 -1.721 1.00 0.00 C ATOM 1420 O VAL A 97 12.775 15.244 -1.700 1.00 0.00 O ATOM 1421 CB VAL A 97 12.434 13.977 -4.234 1.00 0.00 C ATOM 1422 CG1 VAL A 97 13.871 14.272 -4.696 1.00 0.00 C ATOM 1423 CG2 VAL A 97 11.712 13.225 -5.366 1.00 0.00 C ATOM 0 H VAL A 97 10.368 13.359 -2.799 1.00 0.00 H new ATOM 0 HA VAL A 97 13.136 12.369 -3.090 1.00 0.00 H new ATOM 0 HB VAL A 97 11.878 14.894 -4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 97 13.845 14.817 -5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 97 14.379 14.874 -3.943 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.409 13.334 -4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.731 13.828 -6.274 1.00 0.00 H new ATOM 0 HG22 VAL A 97 12.215 12.276 -5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.678 13.038 -5.077 1.00 0.00 H new ATOM 1433 N GLN A 98 13.638 13.392 -0.737 1.00 0.00 N ATOM 1434 CA GLN A 98 14.160 14.089 0.441 1.00 0.00 C ATOM 1435 C GLN A 98 15.687 14.025 0.449 1.00 0.00 C ATOM 1436 O GLN A 98 16.263 13.186 -0.251 1.00 0.00 O ATOM 1437 CB GLN A 98 13.462 13.592 1.725 1.00 0.00 C ATOM 1438 CG GLN A 98 13.923 12.352 2.512 1.00 0.00 C ATOM 1439 CD GLN A 98 14.609 11.221 1.755 1.00 0.00 C ATOM 1440 OE1 GLN A 98 14.024 10.496 0.953 1.00 0.00 O ATOM 1441 NE2 GLN A 98 15.872 11.006 2.067 1.00 0.00 N ATOM 0 H GLN A 98 13.813 12.387 -0.736 1.00 0.00 H new ATOM 0 HA GLN A 98 13.919 15.151 0.399 1.00 0.00 H new ATOM 0 HB2 GLN A 98 13.479 14.426 2.427 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.419 13.419 1.461 1.00 0.00 H new ATOM 0 HG2 GLN A 98 14.605 12.690 3.292 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.049 11.934 3.012 1.00 0.00 H new ATOM 0 HE21 GLN A 98 16.344 11.617 2.734 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.377 10.229 1.641 1.00 0.00 H new ATOM 1450 N PRO A 99 16.379 14.901 1.193 1.00 0.00 N ATOM 1451 CA PRO A 99 17.821 14.879 1.247 1.00 0.00 C ATOM 1452 C PRO A 99 18.281 13.774 2.167 1.00 0.00 C ATOM 1453 O PRO A 99 17.493 13.135 2.879 1.00 0.00 O ATOM 1454 CB PRO A 99 18.232 16.257 1.750 1.00 0.00 C ATOM 1455 CG PRO A 99 17.128 16.533 2.760 1.00 0.00 C ATOM 1456 CD PRO A 99 15.888 15.943 2.079 1.00 0.00 C ATOM 0 HA PRO A 99 18.277 14.677 0.278 1.00 0.00 H new ATOM 0 HB2 PRO A 99 19.220 16.251 2.209 1.00 0.00 H new ATOM 0 HB3 PRO A 99 18.256 16.998 0.951 1.00 0.00 H new ATOM 0 HG2 PRO A 99 17.329 16.055 3.719 1.00 0.00 H new ATOM 0 HG3 PRO A 99 17.014 17.600 2.953 1.00 0.00 H new ATOM 0 HD2 PRO A 99 15.195 15.536 2.815 1.00 0.00 H new ATOM 0 HD3 PRO A 99 15.348 16.708 1.521 1.00 0.00 H new ATOM 1464 N GLY A 100 19.587 13.566 2.140 1.00 0.00 N ATOM 1465 CA GLY A 100 20.191 12.700 3.100 1.00 0.00 C ATOM 1466 C GLY A 100 20.593 13.452 4.347 1.00 0.00 C ATOM 1467 O GLY A 100 20.660 14.680 4.373 1.00 0.00 O ATOM 0 H GLY A 100 20.230 13.985 1.468 1.00 0.00 H new ATOM 0 HA2 GLY A 100 19.495 11.904 3.363 1.00 0.00 H new ATOM 0 HA3 GLY A 100 21.068 12.224 2.662 1.00 0.00 H new ATOM 1471 N LYS A 101 20.855 12.673 5.386 1.00 0.00 N ATOM 1472 CA LYS A 101 20.914 13.171 6.759 1.00 0.00 C ATOM 1473 C LYS A 101 22.361 13.131 7.217 1.00 0.00 C ATOM 1474 O LYS A 101 23.038 12.112 7.019 1.00 0.00 O ATOM 1475 CB LYS A 101 19.992 12.318 7.646 1.00 0.00 C ATOM 1476 CG LYS A 101 19.730 12.925 9.035 1.00 0.00 C ATOM 1477 CD LYS A 101 19.150 11.900 10.024 1.00 0.00 C ATOM 1478 CE LYS A 101 17.742 11.384 9.688 1.00 0.00 C ATOM 1479 NZ LYS A 101 16.668 12.362 9.975 1.00 0.00 N ATOM 0 H LYS A 101 21.034 11.672 5.304 1.00 0.00 H new ATOM 0 HA LYS A 101 20.564 14.201 6.827 1.00 0.00 H new ATOM 0 HB2 LYS A 101 19.039 12.179 7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 101 20.435 11.330 7.769 1.00 0.00 H new ATOM 0 HG2 LYS A 101 20.662 13.325 9.435 1.00 0.00 H new ATOM 0 HG3 LYS A 101 19.039 13.763 8.938 1.00 0.00 H new ATOM 0 HD2 LYS A 101 19.828 11.048 10.077 1.00 0.00 H new ATOM 0 HD3 LYS A 101 19.126 12.351 11.016 1.00 0.00 H new ATOM 0 HE2 LYS A 101 17.705 11.116 8.632 1.00 0.00 H new ATOM 0 HE3 LYS A 101 17.553 10.473 10.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.751 11.872 10.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 16.848 12.816 10.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.649 13.086 9.229 1.00 0.00 H new ATOM 1493 N THR A 102 22.817 14.204 7.851 1.00 0.00 N ATOM 1494 CA THR A 102 24.178 14.341 8.341 1.00 0.00 C ATOM 1495 C THR A 102 24.163 15.335 9.495 1.00 0.00 C ATOM 1496 O THR A 102 24.305 16.543 9.297 1.00 0.00 O ATOM 1497 CB THR A 102 25.160 14.781 7.232 1.00 0.00 C ATOM 1498 OG1 THR A 102 24.543 15.171 6.019 1.00 0.00 O ATOM 1499 CG2 THR A 102 26.104 13.633 6.857 1.00 0.00 C ATOM 0 H THR A 102 22.236 15.020 8.042 1.00 0.00 H new ATOM 0 HA THR A 102 24.536 13.370 8.683 1.00 0.00 H new ATOM 0 HB THR A 102 25.675 15.638 7.666 1.00 0.00 H new ATOM 0 HG1 THR A 102 25.230 15.436 5.373 1.00 0.00 H new ATOM 0 HG21 THR A 102 26.787 13.964 6.075 1.00 0.00 H new ATOM 0 HG22 THR A 102 26.676 13.331 7.734 1.00 0.00 H new ATOM 0 HG23 THR A 102 25.521 12.786 6.495 1.00 0.00 H new ATOM 1507 N SER A 103 23.980 14.818 10.704 1.00 0.00 N ATOM 1508 CA SER A 103 23.927 15.623 11.913 1.00 0.00 C ATOM 1509 C SER A 103 24.935 15.084 12.941 1.00 0.00 C ATOM 1510 O SER A 103 25.723 14.184 12.629 1.00 0.00 O ATOM 1511 CB SER A 103 22.481 15.683 12.444 1.00 0.00 C ATOM 1512 OG SER A 103 21.494 15.225 11.532 1.00 0.00 O ATOM 0 H SER A 103 23.863 13.819 10.872 1.00 0.00 H new ATOM 0 HA SER A 103 24.219 16.651 11.698 1.00 0.00 H new ATOM 0 HB2 SER A 103 22.418 15.088 13.355 1.00 0.00 H new ATOM 0 HB3 SER A 103 22.252 16.713 12.719 1.00 0.00 H new ATOM 0 HG SER A 103 20.609 15.295 11.946 1.00 0.00 H new ATOM 1518 N ILE A 104 24.933 15.628 14.159 1.00 0.00 N ATOM 1519 CA ILE A 104 25.789 15.219 15.278 1.00 0.00 C ATOM 1520 C ILE A 104 24.908 14.546 16.339 1.00 0.00 C ATOM 1521 O ILE A 104 24.956 14.873 17.528 1.00 0.00 O ATOM 1522 CB ILE A 104 26.619 16.423 15.790 1.00 0.00 C ATOM 1523 CG1 ILE A 104 25.754 17.654 16.157 1.00 0.00 C ATOM 1524 CG2 ILE A 104 27.675 16.797 14.730 1.00 0.00 C ATOM 1525 CD1 ILE A 104 26.514 18.711 16.968 1.00 0.00 C ATOM 0 H ILE A 104 24.310 16.397 14.405 1.00 0.00 H new ATOM 0 HA ILE A 104 26.531 14.483 14.969 1.00 0.00 H new ATOM 0 HB ILE A 104 27.105 16.114 16.716 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.377 18.110 15.242 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.887 17.322 16.728 1.00 0.00 H new ATOM 0 HG21 ILE A 104 28.262 17.644 15.085 1.00 0.00 H new ATOM 0 HG22 ILE A 104 28.334 15.946 14.556 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.176 17.066 13.799 1.00 0.00 H new ATOM 0 HD11 ILE A 104 25.849 19.546 17.191 1.00 0.00 H new ATOM 0 HD12 ILE A 104 26.868 18.270 17.900 1.00 0.00 H new ATOM 0 HD13 ILE A 104 27.366 19.070 16.390 1.00 0.00 H new ATOM 1537 N ASP A 105 24.005 13.683 15.868 1.00 0.00 N ATOM 1538 CA ASP A 105 22.830 13.268 16.626 1.00 0.00 C ATOM 1539 C ASP A 105 23.049 12.016 17.447 1.00 0.00 C ATOM 1540 O ASP A 105 22.375 11.884 18.487 1.00 0.00 O ATOM 1541 CB ASP A 105 21.613 13.110 15.710 1.00 0.00 C ATOM 1542 CG ASP A 105 21.509 11.740 15.048 1.00 0.00 C ATOM 1543 OD1 ASP A 105 22.327 11.453 14.142 1.00 0.00 O ATOM 1544 OD2 ASP A 105 20.554 11.002 15.400 1.00 0.00 O ATOM 0 H ASP A 105 24.072 13.252 14.946 1.00 0.00 H new ATOM 0 HA ASP A 105 22.637 14.069 17.339 1.00 0.00 H new ATOM 0 HB2 ASP A 105 20.708 13.291 16.290 1.00 0.00 H new ATOM 0 HB3 ASP A 105 21.653 13.875 14.934 1.00 0.00 H new TER 1549 ASP A 105