USER MOD reduce.3.24.130724 H: found=0, std=0, add=1396, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1394 hydrogens (12 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 151 SER OG : rot 147:sc= -0.0217 USER MOD Set 1.2: A 154 THR OG1 : rot -176:sc= -2.51! USER MOD Set 2.1: A 31 SER OG : rot 88:sc= 0.354 USER MOD Set 2.2: A 155 LYS NZ :NH3+ 146:sc= 0.117 (180deg=-1.74!) USER MOD Set 3.1: A 21 LYS NZ :NH3+ -135:sc= 1.27 (180deg=-0.19) USER MOD Set 3.2: A 95 GLN : amide:sc= -2.06! X(o=-0.79!,f=-0.53) USER MOD Set 4.1: A 16 HIS : no HD1:sc= -7.41! C(o=-17!,f=-18!) USER MOD Set 4.2: A 19 HIS : no HD1:sc= -6.12! C(o=-17!,f=-30!) USER MOD Set 4.3: A 96 THR OG1 : rot -33:sc= -3.9! USER MOD Set 5.1: A 14 MET CE :methyl -165:sc=-0.00686 (180deg=-0.136) USER MOD Set 5.2: A 69 THR OG1 : rot 180:sc= 0.025 USER MOD Set 6.1: A 12 THR OG1 : rot 170:sc= -0.179 USER MOD Set 6.2: A 71 MET CE :methyl -171:sc= -0.932 (180deg=-0.198) USER MOD Single : A 1 GLY N :NH3+ -177:sc= -0.112 (180deg=-0.125) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 4 MET CE :methyl -152:sc= -0.0576 (180deg=-0.496) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -131:sc= -1.51! USER MOD Single : A 30 HIS : no HE2:sc= 0.69 K(o=0.69,f=-2.5!) USER MOD Single : A 32 LYS NZ :NH3+ -158:sc= 1.23 (180deg=1.1) USER MOD Single : A 34 THR OG1 : rot -120:sc= 1.04 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.407 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0503 USER MOD Single : A 53 ASN : amide:sc= -1.35 K(o=-1.3,f=-2.9!) USER MOD Single : A 55 LYS NZ :NH3+ 128:sc= 1.23 (180deg=0.747) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -169:sc= -1.84! USER MOD Single : A 62 THR OG1 : rot 89:sc= 1.9 USER MOD Single : A 65 HIS : no HE2:sc= 0.926 K(o=0.93,f=-6.3!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0171 USER MOD Single : A 77 GLN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 79 THR OG1 : rot -152:sc= 1.08 USER MOD Single : A 93 MET CE :methyl -128:sc= -0.0123 (180deg=-0.326) USER MOD Single : A 101 ASN :FLIP amide:sc= -1.81! C(o=-5.1!,f=-1.8!) USER MOD Single : A 102 HIS : no HD1:sc= -1.55! C(o=-1.6!,f=-8.3!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= -0.116 (180deg=-0.116) USER MOD Single : A 107 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.6!) USER MOD Single : A 115 ASN : amide:sc= -3.84! C(o=-3.8!,f=-8.1!) USER MOD Single : A 116 LYS NZ :NH3+ -137:sc= 0.334 (180deg=-0.544) USER MOD Single : A 117 MET CE :methyl 137:sc= -2.81! (180deg=-5.37!) USER MOD Single : A 119 LYS NZ :NH3+ 160:sc= 1.18 (180deg=0.5) USER MOD Single : A 123 ASN :FLIP amide:sc= -0.536 F(o=-1.9,f=-0.54) USER MOD Single : A 128 MET CE :methyl 156:sc= -1.69 (180deg=-2.55) USER MOD Single : A 129 GLN : amide:sc= 0.128 X(o=0.13,f=-0.0049) USER MOD Single : A 132 MET CE :methyl -154:sc= -0.0178 (180deg=-0.723) USER MOD Single : A 134 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= -0.411 K(o=-0.41,f=-0.93) USER MOD Single : A 145 THR OG1 : rot -12:sc= -0.186 USER MOD Single : A 148 CYS SG : rot -120:sc= -0.896 USER MOD Single : A 149 LYS NZ :NH3+ 163:sc= 1.2 (180deg=0.696) USER MOD Single : A 153 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000943) USER MOD Single : A 160 HIS : no HD1:sc=-0.00862 X(o=-0.0086,f=-0.0086) USER MOD Single : A 164 MET CE :methyl 149:sc= -2.55! (180deg=-5.15!) USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD Single : A 171 MET CE :methyl 160:sc= -0.0993 (180deg=-0.603) USER MOD Single : A 175 LYS NZ :NH3+ 138:sc= 0.0065 (180deg=0) USER MOD Single : A 177 ASN : amide:sc= 0 X(o=0,f=-0.0082) USER MOD Single : A 179 GDP O2' : rot 10:sc= 0.34 USER MOD Single : A 179 GDP O3' : rot -176:sc= 0.302 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.620 -8.388 -11.868 1.00 11.58 N ATOM 2 CA GLY A 1 -29.270 -9.418 -10.860 1.00 11.11 C ATOM 3 C GLY A 1 -27.985 -10.151 -11.192 1.00 10.21 C ATOM 4 O GLY A 1 -27.447 -10.873 -10.356 1.00 9.82 O ATOM 0 H1 GLY A 1 -30.478 -7.884 -11.566 1.00 11.58 H new ATOM 0 H2 GLY A 1 -28.835 -7.712 -11.960 1.00 11.58 H new ATOM 0 H3 GLY A 1 -29.792 -8.845 -12.786 1.00 11.58 H new ATOM 0 HA2 GLY A 1 -29.171 -8.945 -9.883 1.00 11.11 H new ATOM 0 HA3 GLY A 1 -30.085 -10.138 -10.785 1.00 11.11 H new ATOM 10 N SER A 2 -27.487 -9.959 -12.406 1.00 10.08 N ATOM 11 CA SER A 2 -26.314 -10.677 -12.876 1.00 9.47 C ATOM 12 C SER A 2 -25.035 -10.139 -12.238 1.00 8.68 C ATOM 13 O SER A 2 -24.194 -10.922 -11.797 1.00 8.69 O ATOM 14 CB SER A 2 -26.215 -10.569 -14.399 1.00 9.96 C ATOM 15 OG SER A 2 -27.410 -11.013 -15.023 1.00 10.61 O ATOM 0 H SER A 2 -27.881 -9.308 -13.085 1.00 10.08 H new ATOM 0 HA SER A 2 -26.422 -11.722 -12.586 1.00 9.47 H new ATOM 0 HB2 SER A 2 -26.017 -9.535 -14.681 1.00 9.96 H new ATOM 0 HB3 SER A 2 -25.373 -11.163 -14.755 1.00 9.96 H new ATOM 0 HG SER A 2 -27.321 -10.932 -15.996 1.00 10.61 H new ATOM 21 N HIS A 3 -24.912 -8.813 -12.158 1.00 8.25 N ATOM 22 CA HIS A 3 -23.661 -8.174 -11.742 1.00 7.71 C ATOM 23 C HIS A 3 -22.528 -8.640 -12.646 1.00 6.90 C ATOM 24 O HIS A 3 -21.610 -9.341 -12.218 1.00 6.93 O ATOM 25 CB HIS A 3 -23.340 -8.472 -10.268 1.00 8.30 C ATOM 26 CG HIS A 3 -24.187 -7.705 -9.297 1.00 8.89 C ATOM 27 ND1 HIS A 3 -25.186 -8.281 -8.541 1.00 9.51 N ATOM 28 CD2 HIS A 3 -24.165 -6.395 -8.952 1.00 9.23 C ATOM 29 CE1 HIS A 3 -25.741 -7.359 -7.774 1.00 10.14 C ATOM 30 NE2 HIS A 3 -25.141 -6.208 -8.002 1.00 9.99 N ATOM 0 H HIS A 3 -25.664 -8.159 -12.376 1.00 8.25 H new ATOM 0 HA HIS A 3 -23.775 -7.094 -11.835 1.00 7.71 H new ATOM 0 HB2 HIS A 3 -23.471 -9.539 -10.086 1.00 8.30 H new ATOM 0 HB3 HIS A 3 -22.291 -8.243 -10.081 1.00 8.30 H new ATOM 0 HD2 HIS A 3 -23.504 -5.639 -9.349 1.00 9.23 H new ATOM 0 HE1 HIS A 3 -26.550 -7.521 -7.077 1.00 10.14 H new ATOM 0 HE2 HIS A 3 -25.364 -5.323 -7.548 1.00 9.99 H new ATOM 39 N MET A 4 -22.613 -8.235 -13.907 1.00 6.50 N ATOM 40 CA MET A 4 -21.728 -8.744 -14.944 1.00 6.05 C ATOM 41 C MET A 4 -21.165 -7.613 -15.800 1.00 5.19 C ATOM 42 O MET A 4 -19.974 -7.590 -16.110 1.00 5.17 O ATOM 43 CB MET A 4 -22.502 -9.721 -15.836 1.00 6.67 C ATOM 44 CG MET A 4 -21.676 -10.320 -16.961 1.00 7.26 C ATOM 45 SD MET A 4 -22.687 -11.229 -18.151 1.00 8.18 S ATOM 46 CE MET A 4 -23.438 -12.466 -17.092 1.00 8.77 C ATOM 0 H MET A 4 -23.292 -7.549 -14.237 1.00 6.50 H new ATOM 0 HA MET A 4 -20.893 -9.253 -14.461 1.00 6.05 H new ATOM 0 HB2 MET A 4 -22.894 -10.528 -15.218 1.00 6.67 H new ATOM 0 HB3 MET A 4 -23.360 -9.203 -16.265 1.00 6.67 H new ATOM 0 HG2 MET A 4 -21.140 -9.524 -17.478 1.00 7.26 H new ATOM 0 HG3 MET A 4 -20.925 -10.989 -16.540 1.00 7.26 H new ATOM 0 HE1 MET A 4 -23.664 -13.357 -17.677 1.00 8.77 H new ATOM 0 HE2 MET A 4 -22.748 -12.724 -16.289 1.00 8.77 H new ATOM 0 HE3 MET A 4 -24.359 -12.069 -16.666 1.00 8.77 H new ATOM 56 N VAL A 5 -22.024 -6.677 -16.186 1.00 4.89 N ATOM 57 CA VAL A 5 -21.615 -5.601 -17.079 1.00 4.47 C ATOM 58 C VAL A 5 -21.376 -4.307 -16.310 1.00 4.02 C ATOM 59 O VAL A 5 -20.656 -3.423 -16.774 1.00 4.26 O ATOM 60 CB VAL A 5 -22.654 -5.353 -18.195 1.00 5.11 C ATOM 61 CG1 VAL A 5 -22.837 -6.602 -19.042 1.00 5.46 C ATOM 62 CG2 VAL A 5 -23.986 -4.903 -17.618 1.00 5.74 C ATOM 0 H VAL A 5 -23.001 -6.641 -15.897 1.00 4.89 H new ATOM 0 HA VAL A 5 -20.681 -5.919 -17.542 1.00 4.47 H new ATOM 0 HB VAL A 5 -22.276 -4.553 -18.831 1.00 5.11 H new ATOM 0 HG11 VAL A 5 -23.573 -6.408 -19.823 1.00 5.46 H new ATOM 0 HG12 VAL A 5 -21.886 -6.874 -19.499 1.00 5.46 H new ATOM 0 HG13 VAL A 5 -23.184 -7.421 -18.412 1.00 5.46 H new ATOM 0 HG21 VAL A 5 -24.696 -4.737 -18.428 1.00 5.74 H new ATOM 0 HG22 VAL A 5 -24.372 -5.673 -16.950 1.00 5.74 H new ATOM 0 HG23 VAL A 5 -23.847 -3.976 -17.061 1.00 5.74 H new ATOM 72 N GLU A 6 -21.980 -4.197 -15.135 1.00 3.71 N ATOM 73 CA GLU A 6 -21.805 -3.016 -14.306 1.00 3.56 C ATOM 74 C GLU A 6 -20.584 -3.170 -13.413 1.00 3.07 C ATOM 75 O GLU A 6 -20.317 -4.258 -12.900 1.00 3.23 O ATOM 76 CB GLU A 6 -23.048 -2.764 -13.454 1.00 4.14 C ATOM 77 CG GLU A 6 -24.297 -2.464 -14.266 1.00 4.54 C ATOM 78 CD GLU A 6 -24.108 -1.295 -15.213 1.00 5.11 C ATOM 79 OE1 GLU A 6 -23.982 -0.148 -14.735 1.00 5.29 O ATOM 80 OE2 GLU A 6 -24.077 -1.519 -16.441 1.00 5.70 O ATOM 0 H GLU A 6 -22.593 -4.909 -14.737 1.00 3.71 H new ATOM 0 HA GLU A 6 -21.655 -2.159 -14.963 1.00 3.56 H new ATOM 0 HB2 GLU A 6 -23.233 -3.638 -12.830 1.00 4.14 H new ATOM 0 HB3 GLU A 6 -22.853 -1.928 -12.782 1.00 4.14 H new ATOM 0 HG2 GLU A 6 -24.576 -3.349 -14.838 1.00 4.54 H new ATOM 0 HG3 GLU A 6 -25.124 -2.249 -13.589 1.00 4.54 H new ATOM 87 N ARG A 7 -19.846 -2.086 -13.237 1.00 2.85 N ATOM 88 CA ARG A 7 -18.661 -2.103 -12.394 1.00 2.62 C ATOM 89 C ARG A 7 -18.924 -1.371 -11.082 1.00 2.19 C ATOM 90 O ARG A 7 -19.062 -0.148 -11.054 1.00 2.44 O ATOM 91 CB ARG A 7 -17.469 -1.480 -13.124 1.00 3.27 C ATOM 92 CG ARG A 7 -16.861 -2.397 -14.174 1.00 3.86 C ATOM 93 CD ARG A 7 -15.632 -1.774 -14.821 1.00 4.69 C ATOM 94 NE ARG A 7 -14.695 -1.270 -13.822 1.00 5.27 N ATOM 95 CZ ARG A 7 -13.543 -1.857 -13.502 1.00 6.08 C ATOM 96 NH1 ARG A 7 -13.143 -2.956 -14.134 1.00 6.40 N ATOM 97 NH2 ARG A 7 -12.781 -1.329 -12.552 1.00 6.85 N ATOM 0 H ARG A 7 -20.046 -1.183 -13.667 1.00 2.85 H new ATOM 0 HA ARG A 7 -18.420 -3.142 -12.167 1.00 2.62 H new ATOM 0 HB2 ARG A 7 -17.788 -0.554 -13.601 1.00 3.27 H new ATOM 0 HB3 ARG A 7 -16.703 -1.216 -12.395 1.00 3.27 H new ATOM 0 HG2 ARG A 7 -16.588 -3.347 -13.714 1.00 3.86 H new ATOM 0 HG3 ARG A 7 -17.604 -2.616 -14.940 1.00 3.86 H new ATOM 0 HD2 ARG A 7 -15.134 -2.515 -15.446 1.00 4.69 H new ATOM 0 HD3 ARG A 7 -15.939 -0.959 -15.476 1.00 4.69 H new ATOM 0 HE ARG A 7 -14.939 -0.408 -13.335 1.00 5.27 H new ATOM 0 HH11 ARG A 7 -13.720 -3.358 -14.872 1.00 6.40 H new ATOM 0 HH12 ARG A 7 -12.259 -3.397 -13.880 1.00 6.40 H new ATOM 0 HH21 ARG A 7 -13.079 -0.479 -12.073 1.00 6.85 H new ATOM 0 HH22 ARG A 7 -11.897 -1.773 -12.301 1.00 6.85 H new ATOM 111 N PRO A 8 -19.035 -2.126 -9.981 1.00 2.01 N ATOM 112 CA PRO A 8 -19.255 -1.576 -8.655 1.00 2.04 C ATOM 113 C PRO A 8 -17.949 -1.349 -7.893 1.00 1.71 C ATOM 114 O PRO A 8 -17.201 -2.294 -7.622 1.00 1.69 O ATOM 115 CB PRO A 8 -20.094 -2.662 -7.977 1.00 2.57 C ATOM 116 CG PRO A 8 -19.803 -3.938 -8.718 1.00 2.80 C ATOM 117 CD PRO A 8 -18.979 -3.589 -9.938 1.00 2.42 C ATOM 0 HA PRO A 8 -19.732 -0.596 -8.684 1.00 2.04 H new ATOM 0 HB2 PRO A 8 -19.832 -2.755 -6.923 1.00 2.57 H new ATOM 0 HB3 PRO A 8 -21.156 -2.419 -8.022 1.00 2.57 H new ATOM 0 HG2 PRO A 8 -19.262 -4.636 -8.079 1.00 2.80 H new ATOM 0 HG3 PRO A 8 -20.731 -4.429 -9.012 1.00 2.80 H new ATOM 0 HD2 PRO A 8 -17.954 -3.949 -9.847 1.00 2.42 H new ATOM 0 HD3 PRO A 8 -19.393 -4.033 -10.843 1.00 2.42 H new ATOM 125 N PRO A 9 -17.650 -0.087 -7.542 1.00 1.83 N ATOM 126 CA PRO A 9 -16.461 0.260 -6.759 1.00 1.84 C ATOM 127 C PRO A 9 -16.562 -0.265 -5.327 1.00 1.40 C ATOM 128 O PRO A 9 -17.112 0.396 -4.448 1.00 1.72 O ATOM 129 CB PRO A 9 -16.440 1.798 -6.774 1.00 2.47 C ATOM 130 CG PRO A 9 -17.413 2.198 -7.835 1.00 2.76 C ATOM 131 CD PRO A 9 -18.438 1.105 -7.886 1.00 2.36 C ATOM 0 HA PRO A 9 -15.553 -0.181 -7.172 1.00 1.84 H new ATOM 0 HB2 PRO A 9 -16.727 2.204 -5.804 1.00 2.47 H new ATOM 0 HB3 PRO A 9 -15.441 2.175 -6.994 1.00 2.47 H new ATOM 0 HG2 PRO A 9 -17.876 3.156 -7.599 1.00 2.76 H new ATOM 0 HG3 PRO A 9 -16.916 2.312 -8.798 1.00 2.76 H new ATOM 0 HD2 PRO A 9 -19.248 1.275 -7.176 1.00 2.36 H new ATOM 0 HD3 PRO A 9 -18.892 1.020 -8.873 1.00 2.36 H new ATOM 139 N VAL A 10 -16.060 -1.471 -5.111 1.00 1.18 N ATOM 140 CA VAL A 10 -16.086 -2.073 -3.789 1.00 0.94 C ATOM 141 C VAL A 10 -14.963 -1.525 -2.906 1.00 0.94 C ATOM 142 O VAL A 10 -15.231 -0.802 -1.952 1.00 1.76 O ATOM 143 CB VAL A 10 -16.020 -3.618 -3.854 1.00 1.25 C ATOM 144 CG1 VAL A 10 -17.372 -4.183 -4.262 1.00 1.90 C ATOM 145 CG2 VAL A 10 -14.945 -4.090 -4.825 1.00 2.00 C ATOM 0 H VAL A 10 -15.631 -2.050 -5.833 1.00 1.18 H new ATOM 0 HA VAL A 10 -17.041 -1.802 -3.339 1.00 0.94 H new ATOM 0 HB VAL A 10 -15.760 -3.983 -2.860 1.00 1.25 H new ATOM 0 HG11 VAL A 10 -17.314 -5.271 -4.305 1.00 1.90 H new ATOM 0 HG12 VAL A 10 -18.125 -3.888 -3.531 1.00 1.90 H new ATOM 0 HG13 VAL A 10 -17.647 -3.796 -5.243 1.00 1.90 H new ATOM 0 HG21 VAL A 10 -14.926 -5.180 -4.846 1.00 2.00 H new ATOM 0 HG22 VAL A 10 -15.165 -3.712 -5.823 1.00 2.00 H new ATOM 0 HG23 VAL A 10 -13.973 -3.717 -4.502 1.00 2.00 H new ATOM 155 N VAL A 11 -13.718 -1.838 -3.252 1.00 0.62 N ATOM 156 CA VAL A 11 -12.561 -1.406 -2.468 1.00 0.61 C ATOM 157 C VAL A 11 -12.555 -2.073 -1.087 1.00 0.62 C ATOM 158 O VAL A 11 -13.173 -1.595 -0.141 1.00 0.93 O ATOM 159 CB VAL A 11 -12.510 0.134 -2.320 1.00 0.76 C ATOM 160 CG1 VAL A 11 -11.374 0.560 -1.407 1.00 1.35 C ATOM 161 CG2 VAL A 11 -12.369 0.792 -3.681 1.00 0.95 C ATOM 0 H VAL A 11 -13.482 -2.393 -4.075 1.00 0.62 H new ATOM 0 HA VAL A 11 -11.670 -1.719 -3.012 1.00 0.61 H new ATOM 0 HB VAL A 11 -13.447 0.460 -1.867 1.00 0.76 H new ATOM 0 HG11 VAL A 11 -11.363 1.647 -1.322 1.00 1.35 H new ATOM 0 HG12 VAL A 11 -11.516 0.120 -0.420 1.00 1.35 H new ATOM 0 HG13 VAL A 11 -10.426 0.219 -1.823 1.00 1.35 H new ATOM 0 HG21 VAL A 11 -12.335 1.875 -3.560 1.00 0.95 H new ATOM 0 HG22 VAL A 11 -11.450 0.451 -4.157 1.00 0.95 H new ATOM 0 HG23 VAL A 11 -13.222 0.524 -4.305 1.00 0.95 H new ATOM 171 N THR A 12 -11.847 -3.187 -0.989 1.00 0.44 N ATOM 172 CA THR A 12 -11.775 -3.944 0.250 1.00 0.45 C ATOM 173 C THR A 12 -10.768 -3.306 1.200 1.00 0.41 C ATOM 174 O THR A 12 -9.771 -2.747 0.757 1.00 0.50 O ATOM 175 CB THR A 12 -11.360 -5.397 -0.044 1.00 0.54 C ATOM 176 OG1 THR A 12 -12.145 -5.903 -1.129 1.00 0.61 O ATOM 177 CG2 THR A 12 -11.545 -6.284 1.179 1.00 0.64 C ATOM 0 H THR A 12 -11.311 -3.589 -1.758 1.00 0.44 H new ATOM 0 HA THR A 12 -12.759 -3.939 0.719 1.00 0.45 H new ATOM 0 HB THR A 12 -10.303 -5.406 -0.310 1.00 0.54 H new ATOM 0 HG1 THR A 12 -11.783 -6.766 -1.420 1.00 0.61 H new ATOM 0 HG21 THR A 12 -11.243 -7.303 0.938 1.00 0.64 H new ATOM 0 HG22 THR A 12 -10.932 -5.908 1.998 1.00 0.64 H new ATOM 0 HG23 THR A 12 -12.593 -6.277 1.478 1.00 0.64 H new ATOM 185 N ILE A 13 -11.024 -3.380 2.499 1.00 0.40 N ATOM 186 CA ILE A 13 -10.105 -2.811 3.471 1.00 0.40 C ATOM 187 C ILE A 13 -9.347 -3.913 4.219 1.00 0.37 C ATOM 188 O ILE A 13 -9.919 -4.939 4.607 1.00 0.52 O ATOM 189 CB ILE A 13 -10.832 -1.886 4.479 1.00 0.52 C ATOM 190 CG1 ILE A 13 -9.815 -1.055 5.271 1.00 1.15 C ATOM 191 CG2 ILE A 13 -11.699 -2.705 5.424 1.00 1.26 C ATOM 192 CD1 ILE A 13 -10.444 -0.071 6.238 1.00 1.30 C ATOM 0 H ILE A 13 -11.851 -3.823 2.899 1.00 0.40 H new ATOM 0 HA ILE A 13 -9.389 -2.205 2.916 1.00 0.40 H new ATOM 0 HB ILE A 13 -11.476 -1.206 3.921 1.00 0.52 H new ATOM 0 HG12 ILE A 13 -9.164 -1.730 5.827 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -9.184 -0.508 4.571 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -12.202 -2.039 6.125 1.00 1.26 H new ATOM 0 HG22 ILE A 13 -12.443 -3.256 4.849 1.00 1.26 H new ATOM 0 HG23 ILE A 13 -11.073 -3.407 5.975 1.00 1.26 H new ATOM 0 HD11 ILE A 13 -9.660 0.478 6.760 1.00 1.30 H new ATOM 0 HD12 ILE A 13 -11.073 0.629 5.687 1.00 1.30 H new ATOM 0 HD13 ILE A 13 -11.052 -0.612 6.963 1.00 1.30 H new ATOM 204 N MET A 14 -8.057 -3.699 4.387 1.00 0.26 N ATOM 205 CA MET A 14 -7.176 -4.621 5.067 1.00 0.28 C ATOM 206 C MET A 14 -6.135 -3.825 5.847 1.00 0.24 C ATOM 207 O MET A 14 -6.102 -2.599 5.761 1.00 0.29 O ATOM 208 CB MET A 14 -6.478 -5.523 4.055 1.00 0.36 C ATOM 209 CG MET A 14 -7.358 -6.617 3.469 1.00 0.49 C ATOM 210 SD MET A 14 -6.479 -7.657 2.284 1.00 0.79 S ATOM 211 CE MET A 14 -7.790 -8.745 1.741 1.00 0.69 C ATOM 0 H MET A 14 -7.585 -2.861 4.047 1.00 0.26 H new ATOM 0 HA MET A 14 -7.757 -5.243 5.748 1.00 0.28 H new ATOM 0 HB2 MET A 14 -6.097 -4.907 3.241 1.00 0.36 H new ATOM 0 HB3 MET A 14 -5.616 -5.986 4.535 1.00 0.36 H new ATOM 0 HG2 MET A 14 -7.743 -7.239 4.277 1.00 0.49 H new ATOM 0 HG3 MET A 14 -8.219 -6.162 2.979 1.00 0.49 H new ATOM 0 HE1 MET A 14 -7.360 -9.601 1.221 1.00 0.69 H new ATOM 0 HE2 MET A 14 -8.356 -9.092 2.605 1.00 0.69 H new ATOM 0 HE3 MET A 14 -8.454 -8.206 1.065 1.00 0.69 H new ATOM 221 N GLY A 15 -5.283 -4.513 6.590 1.00 0.27 N ATOM 222 CA GLY A 15 -4.252 -3.832 7.331 1.00 0.27 C ATOM 223 C GLY A 15 -4.044 -4.425 8.697 1.00 0.24 C ATOM 224 O GLY A 15 -4.760 -5.344 9.096 1.00 0.31 O ATOM 0 H GLY A 15 -5.289 -5.528 6.691 1.00 0.27 H new ATOM 0 HA2 GLY A 15 -3.317 -3.876 6.772 1.00 0.27 H new ATOM 0 HA3 GLY A 15 -4.515 -2.779 7.431 1.00 0.27 H new ATOM 228 N HIS A 16 -3.068 -3.902 9.419 1.00 0.20 N ATOM 229 CA HIS A 16 -2.720 -4.445 10.724 1.00 0.17 C ATOM 230 C HIS A 16 -3.665 -3.939 11.812 1.00 0.19 C ATOM 231 O HIS A 16 -4.337 -2.916 11.665 1.00 0.22 O ATOM 232 CB HIS A 16 -1.276 -4.091 11.089 1.00 0.17 C ATOM 233 CG HIS A 16 -0.767 -4.779 12.323 1.00 0.16 C ATOM 234 ND1 HIS A 16 -0.833 -6.146 12.474 1.00 0.16 N ATOM 235 CD2 HIS A 16 -0.211 -4.244 13.428 1.00 0.19 C ATOM 236 CE1 HIS A 16 -0.318 -6.399 13.666 1.00 0.19 C ATOM 237 NE2 HIS A 16 0.072 -5.277 14.279 1.00 0.22 N ATOM 0 H HIS A 16 -2.503 -3.105 9.126 1.00 0.20 H new ATOM 0 HA HIS A 16 -2.819 -5.529 10.661 1.00 0.17 H new ATOM 0 HB2 HIS A 16 -0.628 -4.347 10.251 1.00 0.17 H new ATOM 0 HB3 HIS A 16 -1.203 -3.013 11.231 1.00 0.17 H new ATOM 0 HD2 HIS A 16 -0.024 -3.196 13.608 1.00 0.19 H new ATOM 0 HE1 HIS A 16 -0.224 -7.388 14.090 1.00 0.19 H new ATOM 0 HE2 HIS A 16 0.498 -5.205 15.203 1.00 0.22 H new ATOM 245 N VAL A 17 -3.703 -4.689 12.895 1.00 0.20 N ATOM 246 CA VAL A 17 -4.456 -4.328 14.082 1.00 0.25 C ATOM 247 C VAL A 17 -3.774 -3.170 14.797 1.00 0.26 C ATOM 248 O VAL A 17 -2.562 -3.003 14.680 1.00 0.25 O ATOM 249 CB VAL A 17 -4.555 -5.548 15.016 1.00 0.29 C ATOM 250 CG1 VAL A 17 -3.172 -6.083 15.345 1.00 0.30 C ATOM 251 CG2 VAL A 17 -5.295 -5.237 16.293 1.00 0.36 C ATOM 0 H VAL A 17 -3.207 -5.576 12.978 1.00 0.20 H new ATOM 0 HA VAL A 17 -5.460 -4.016 13.794 1.00 0.25 H new ATOM 0 HB VAL A 17 -5.124 -6.307 14.480 1.00 0.29 H new ATOM 0 HG11 VAL A 17 -3.263 -6.945 16.006 1.00 0.30 H new ATOM 0 HG12 VAL A 17 -2.669 -6.383 14.425 1.00 0.30 H new ATOM 0 HG13 VAL A 17 -2.590 -5.306 15.840 1.00 0.30 H new ATOM 0 HG21 VAL A 17 -5.337 -6.130 16.916 1.00 0.36 H new ATOM 0 HG22 VAL A 17 -4.776 -4.444 16.831 1.00 0.36 H new ATOM 0 HG23 VAL A 17 -6.308 -4.912 16.056 1.00 0.36 H new ATOM 261 N ASP A 18 -4.560 -2.357 15.501 1.00 0.31 N ATOM 262 CA ASP A 18 -4.045 -1.181 16.217 1.00 0.36 C ATOM 263 C ASP A 18 -3.721 -0.056 15.242 1.00 0.34 C ATOM 264 O ASP A 18 -3.724 1.118 15.604 1.00 0.41 O ATOM 265 CB ASP A 18 -2.815 -1.542 17.063 1.00 0.42 C ATOM 266 CG ASP A 18 -2.178 -0.336 17.723 1.00 0.55 C ATOM 267 OD1 ASP A 18 -2.679 0.102 18.779 1.00 0.69 O ATOM 268 OD2 ASP A 18 -1.182 0.184 17.185 1.00 0.59 O ATOM 0 H ASP A 18 -5.567 -2.490 15.594 1.00 0.31 H new ATOM 0 HA ASP A 18 -4.825 -0.832 16.894 1.00 0.36 H new ATOM 0 HB2 ASP A 18 -3.106 -2.258 17.831 1.00 0.42 H new ATOM 0 HB3 ASP A 18 -2.077 -2.035 16.430 1.00 0.42 H new ATOM 273 N HIS A 19 -3.443 -0.420 14.000 1.00 0.29 N ATOM 274 CA HIS A 19 -3.312 0.556 12.940 1.00 0.32 C ATOM 275 C HIS A 19 -4.700 1.010 12.530 1.00 0.43 C ATOM 276 O HIS A 19 -4.863 2.043 11.890 1.00 0.63 O ATOM 277 CB HIS A 19 -2.582 -0.023 11.726 1.00 0.29 C ATOM 278 CG HIS A 19 -1.205 -0.518 12.023 1.00 0.22 C ATOM 279 ND1 HIS A 19 -0.344 -0.865 11.014 1.00 0.27 N ATOM 280 CD2 HIS A 19 -0.590 -0.707 13.215 1.00 0.21 C ATOM 281 CE1 HIS A 19 0.765 -1.255 11.607 1.00 0.26 C ATOM 282 NE2 HIS A 19 0.662 -1.177 12.934 1.00 0.24 N ATOM 0 H HIS A 19 -3.304 -1.387 13.705 1.00 0.29 H new ATOM 0 HA HIS A 19 -2.723 1.396 13.309 1.00 0.32 H new ATOM 0 HB2 HIS A 19 -3.172 -0.844 11.318 1.00 0.29 H new ATOM 0 HB3 HIS A 19 -2.523 0.742 10.952 1.00 0.29 H new ATOM 0 HD2 HIS A 19 -1.007 -0.523 14.194 1.00 0.21 H new ATOM 0 HE1 HIS A 19 1.647 -1.595 11.084 1.00 0.26 H new ATOM 0 HE2 HIS A 19 1.383 -1.422 13.613 1.00 0.24 H new ATOM 290 N GLY A 20 -5.696 0.218 12.915 1.00 0.42 N ATOM 291 CA GLY A 20 -7.071 0.585 12.671 1.00 0.54 C ATOM 292 C GLY A 20 -7.822 -0.400 11.812 1.00 0.57 C ATOM 293 O GLY A 20 -8.217 -0.068 10.700 1.00 0.79 O ATOM 0 H GLY A 20 -5.570 -0.674 13.393 1.00 0.42 H new ATOM 0 HA2 GLY A 20 -7.585 0.685 13.627 1.00 0.54 H new ATOM 0 HA3 GLY A 20 -7.096 1.564 12.192 1.00 0.54 H new ATOM 297 N LYS A 21 -8.020 -1.609 12.305 1.00 0.61 N ATOM 298 CA LYS A 21 -8.876 -2.551 11.605 1.00 0.95 C ATOM 299 C LYS A 21 -10.326 -2.052 11.584 1.00 0.89 C ATOM 300 O LYS A 21 -10.838 -1.637 10.545 1.00 1.05 O ATOM 301 CB LYS A 21 -8.801 -3.921 12.263 1.00 1.36 C ATOM 302 CG LYS A 21 -9.617 -4.974 11.538 1.00 1.79 C ATOM 303 CD LYS A 21 -9.034 -5.278 10.170 1.00 2.30 C ATOM 304 CE LYS A 21 -7.866 -6.245 10.272 1.00 2.66 C ATOM 305 NZ LYS A 21 -7.273 -6.551 8.945 1.00 3.31 N ATOM 0 H LYS A 21 -7.609 -1.958 13.171 1.00 0.61 H new ATOM 0 HA LYS A 21 -8.525 -2.635 10.576 1.00 0.95 H new ATOM 0 HB2 LYS A 21 -7.760 -4.241 12.304 1.00 1.36 H new ATOM 0 HB3 LYS A 21 -9.152 -3.843 13.292 1.00 1.36 H new ATOM 0 HG2 LYS A 21 -9.648 -5.887 12.133 1.00 1.79 H new ATOM 0 HG3 LYS A 21 -10.645 -4.629 11.429 1.00 1.79 H new ATOM 0 HD2 LYS A 21 -9.806 -5.703 9.529 1.00 2.30 H new ATOM 0 HD3 LYS A 21 -8.703 -4.352 9.699 1.00 2.30 H new ATOM 0 HE2 LYS A 21 -7.100 -5.820 10.921 1.00 2.66 H new ATOM 0 HE3 LYS A 21 -8.202 -7.170 10.740 1.00 2.66 H new ATOM 0 HZ1 LYS A 21 -7.108 -7.575 8.866 1.00 3.31 H new ATOM 0 HZ2 LYS A 21 -7.926 -6.247 8.195 1.00 3.31 H new ATOM 0 HZ3 LYS A 21 -6.370 -6.046 8.844 1.00 3.31 H new ATOM 319 N THR A 22 -10.981 -2.089 12.735 1.00 0.84 N ATOM 320 CA THR A 22 -12.366 -1.654 12.838 1.00 0.87 C ATOM 321 C THR A 22 -12.448 -0.150 13.088 1.00 0.79 C ATOM 322 O THR A 22 -13.381 0.512 12.634 1.00 0.79 O ATOM 323 CB THR A 22 -13.097 -2.404 13.967 1.00 1.02 C ATOM 324 OG1 THR A 22 -12.898 -3.815 13.815 1.00 1.21 O ATOM 325 CG2 THR A 22 -14.591 -2.097 13.954 1.00 1.18 C ATOM 0 H THR A 22 -10.575 -2.416 13.612 1.00 0.84 H new ATOM 0 HA THR A 22 -12.852 -1.883 11.890 1.00 0.87 H new ATOM 0 HB THR A 22 -12.686 -2.071 14.920 1.00 1.02 H new ATOM 0 HG1 THR A 22 -13.362 -4.290 14.535 1.00 1.21 H new ATOM 0 HG21 THR A 22 -15.081 -2.640 14.762 1.00 1.18 H new ATOM 0 HG22 THR A 22 -14.744 -1.027 14.092 1.00 1.18 H new ATOM 0 HG23 THR A 22 -15.017 -2.404 12.999 1.00 1.18 H new ATOM 333 N THR A 23 -11.462 0.386 13.803 1.00 0.75 N ATOM 334 CA THR A 23 -11.422 1.806 14.117 1.00 0.75 C ATOM 335 C THR A 23 -11.435 2.684 12.866 1.00 0.67 C ATOM 336 O THR A 23 -11.928 3.804 12.905 1.00 0.66 O ATOM 337 CB THR A 23 -10.189 2.145 14.964 1.00 0.82 C ATOM 338 OG1 THR A 23 -9.207 1.104 14.830 1.00 1.25 O ATOM 339 CG2 THR A 23 -10.562 2.325 16.430 1.00 1.17 C ATOM 0 H THR A 23 -10.677 -0.148 14.176 1.00 0.75 H new ATOM 0 HA THR A 23 -12.327 2.019 14.685 1.00 0.75 H new ATOM 0 HB THR A 23 -9.773 3.086 14.604 1.00 0.82 H new ATOM 0 HG1 THR A 23 -8.894 0.833 15.718 1.00 1.25 H new ATOM 0 HG21 THR A 23 -9.668 2.564 17.006 1.00 1.17 H new ATOM 0 HG22 THR A 23 -11.283 3.137 16.525 1.00 1.17 H new ATOM 0 HG23 THR A 23 -11.002 1.403 16.809 1.00 1.17 H new ATOM 347 N LEU A 24 -10.925 2.170 11.756 1.00 0.65 N ATOM 348 CA LEU A 24 -10.912 2.922 10.509 1.00 0.63 C ATOM 349 C LEU A 24 -12.290 2.935 9.904 1.00 0.64 C ATOM 350 O LEU A 24 -12.727 3.940 9.362 1.00 0.65 O ATOM 351 CB LEU A 24 -9.932 2.304 9.545 1.00 0.67 C ATOM 352 CG LEU A 24 -8.639 3.090 9.308 1.00 0.84 C ATOM 353 CD1 LEU A 24 -8.934 4.389 8.580 1.00 1.49 C ATOM 354 CD2 LEU A 24 -7.928 3.375 10.624 1.00 1.30 C ATOM 0 H LEU A 24 -10.516 1.238 11.693 1.00 0.65 H new ATOM 0 HA LEU A 24 -10.606 3.947 10.716 1.00 0.63 H new ATOM 0 HB2 LEU A 24 -9.669 1.312 9.911 1.00 0.67 H new ATOM 0 HB3 LEU A 24 -10.432 2.168 8.586 1.00 0.67 H new ATOM 0 HG LEU A 24 -7.982 2.481 8.688 1.00 0.84 H new ATOM 0 HD11 LEU A 24 -8.005 4.935 8.420 1.00 1.49 H new ATOM 0 HD12 LEU A 24 -9.397 4.170 7.618 1.00 1.49 H new ATOM 0 HD13 LEU A 24 -9.613 4.996 9.179 1.00 1.49 H new ATOM 0 HD21 LEU A 24 -7.013 3.934 10.429 1.00 1.30 H new ATOM 0 HD22 LEU A 24 -8.581 3.961 11.271 1.00 1.30 H new ATOM 0 HD23 LEU A 24 -7.681 2.434 11.115 1.00 1.30 H new ATOM 366 N LEU A 25 -12.986 1.820 10.043 1.00 0.68 N ATOM 367 CA LEU A 25 -14.337 1.707 9.540 1.00 0.75 C ATOM 368 C LEU A 25 -15.289 2.497 10.427 1.00 0.74 C ATOM 369 O LEU A 25 -16.451 2.690 10.094 1.00 0.82 O ATOM 370 CB LEU A 25 -14.765 0.242 9.483 1.00 0.85 C ATOM 371 CG LEU A 25 -15.472 -0.154 8.193 1.00 0.92 C ATOM 372 CD1 LEU A 25 -14.516 -0.005 7.020 1.00 1.63 C ATOM 373 CD2 LEU A 25 -16.002 -1.577 8.282 1.00 1.69 C ATOM 0 H LEU A 25 -12.634 0.980 10.502 1.00 0.68 H new ATOM 0 HA LEU A 25 -14.369 2.116 8.530 1.00 0.75 H new ATOM 0 HB2 LEU A 25 -13.884 -0.387 9.609 1.00 0.85 H new ATOM 0 HB3 LEU A 25 -15.427 0.036 10.324 1.00 0.85 H new ATOM 0 HG LEU A 25 -16.325 0.508 8.040 1.00 0.92 H new ATOM 0 HD11 LEU A 25 -15.024 -0.289 6.098 1.00 1.63 H new ATOM 0 HD12 LEU A 25 -14.187 1.032 6.948 1.00 1.63 H new ATOM 0 HD13 LEU A 25 -13.651 -0.651 7.171 1.00 1.63 H new ATOM 0 HD21 LEU A 25 -16.503 -1.838 7.350 1.00 1.69 H new ATOM 0 HD22 LEU A 25 -15.173 -2.264 8.453 1.00 1.69 H new ATOM 0 HD23 LEU A 25 -16.710 -1.650 9.107 1.00 1.69 H new ATOM 385 N ASP A 26 -14.780 2.955 11.562 1.00 0.71 N ATOM 386 CA ASP A 26 -15.550 3.794 12.461 1.00 0.75 C ATOM 387 C ASP A 26 -15.172 5.229 12.230 1.00 0.70 C ATOM 388 O ASP A 26 -16.024 6.117 12.139 1.00 0.76 O ATOM 389 CB ASP A 26 -15.280 3.446 13.907 1.00 0.81 C ATOM 390 CG ASP A 26 -16.135 4.271 14.848 1.00 1.01 C ATOM 391 OD1 ASP A 26 -17.268 3.848 15.152 1.00 1.13 O ATOM 392 OD2 ASP A 26 -15.688 5.360 15.264 1.00 1.23 O ATOM 0 H ASP A 26 -13.832 2.757 11.881 1.00 0.71 H new ATOM 0 HA ASP A 26 -16.609 3.632 12.259 1.00 0.75 H new ATOM 0 HB2 ASP A 26 -15.477 2.386 14.070 1.00 0.81 H new ATOM 0 HB3 ASP A 26 -14.226 3.612 14.131 1.00 0.81 H new ATOM 397 N ALA A 27 -13.874 5.436 12.112 1.00 0.63 N ATOM 398 CA ALA A 27 -13.325 6.755 11.870 1.00 0.61 C ATOM 399 C ALA A 27 -13.840 7.290 10.548 1.00 0.58 C ATOM 400 O ALA A 27 -14.164 8.467 10.418 1.00 0.62 O ATOM 401 CB ALA A 27 -11.812 6.684 11.862 1.00 0.61 C ATOM 0 H ALA A 27 -13.174 4.697 12.181 1.00 0.63 H new ATOM 0 HA ALA A 27 -13.639 7.431 12.665 1.00 0.61 H new ATOM 0 HB1 ALA A 27 -11.402 7.677 11.680 1.00 0.61 H new ATOM 0 HB2 ALA A 27 -11.460 6.317 12.826 1.00 0.61 H new ATOM 0 HB3 ALA A 27 -11.484 6.006 11.074 1.00 0.61 H new ATOM 407 N ILE A 28 -13.938 6.390 9.587 1.00 0.56 N ATOM 408 CA ILE A 28 -14.361 6.719 8.240 1.00 0.57 C ATOM 409 C ILE A 28 -15.830 7.155 8.214 1.00 0.64 C ATOM 410 O ILE A 28 -16.202 8.067 7.477 1.00 0.71 O ATOM 411 CB ILE A 28 -14.107 5.505 7.321 1.00 0.61 C ATOM 412 CG1 ILE A 28 -13.991 5.915 5.866 1.00 0.84 C ATOM 413 CG2 ILE A 28 -15.189 4.441 7.479 1.00 1.02 C ATOM 414 CD1 ILE A 28 -13.328 4.844 5.039 1.00 0.85 C ATOM 0 H ILE A 28 -13.724 5.402 9.722 1.00 0.56 H new ATOM 0 HA ILE A 28 -13.779 7.564 7.873 1.00 0.57 H new ATOM 0 HB ILE A 28 -13.155 5.076 7.633 1.00 0.61 H new ATOM 0 HG12 ILE A 28 -14.983 6.122 5.466 1.00 0.84 H new ATOM 0 HG13 ILE A 28 -13.418 6.839 5.792 1.00 0.84 H new ATOM 0 HG21 ILE A 28 -14.975 3.603 6.816 1.00 1.02 H new ATOM 0 HG22 ILE A 28 -15.208 4.091 8.511 1.00 1.02 H new ATOM 0 HG23 ILE A 28 -16.159 4.868 7.223 1.00 1.02 H new ATOM 0 HD11 ILE A 28 -13.262 5.173 4.002 1.00 0.85 H new ATOM 0 HD12 ILE A 28 -12.326 4.655 5.424 1.00 0.85 H new ATOM 0 HD13 ILE A 28 -13.916 3.927 5.092 1.00 0.85 H new ATOM 426 N ARG A 29 -16.650 6.527 9.056 1.00 0.70 N ATOM 427 CA ARG A 29 -18.057 6.890 9.167 1.00 0.82 C ATOM 428 C ARG A 29 -18.182 8.235 9.854 1.00 0.86 C ATOM 429 O ARG A 29 -18.953 9.097 9.447 1.00 1.07 O ATOM 430 CB ARG A 29 -18.825 5.847 9.981 1.00 0.99 C ATOM 431 CG ARG A 29 -18.784 4.445 9.407 1.00 1.06 C ATOM 432 CD ARG A 29 -19.615 3.490 10.249 1.00 1.06 C ATOM 433 NE ARG A 29 -19.170 3.435 11.646 1.00 1.62 N ATOM 434 CZ ARG A 29 -19.895 2.904 12.636 1.00 2.19 C ATOM 435 NH1 ARG A 29 -21.066 2.337 12.377 1.00 2.49 N ATOM 436 NH2 ARG A 29 -19.446 2.924 13.887 1.00 3.04 N ATOM 0 H ARG A 29 -16.362 5.765 9.670 1.00 0.70 H new ATOM 0 HA ARG A 29 -18.478 6.938 8.163 1.00 0.82 H new ATOM 0 HB2 ARG A 29 -18.419 5.824 10.992 1.00 0.99 H new ATOM 0 HB3 ARG A 29 -19.865 6.162 10.062 1.00 0.99 H new ATOM 0 HG2 ARG A 29 -19.160 4.455 8.384 1.00 1.06 H new ATOM 0 HG3 ARG A 29 -17.753 4.095 9.364 1.00 1.06 H new ATOM 0 HD2 ARG A 29 -20.660 3.798 10.216 1.00 1.06 H new ATOM 0 HD3 ARG A 29 -19.564 2.491 9.816 1.00 1.06 H new ATOM 0 HE ARG A 29 -18.255 3.824 11.875 1.00 1.62 H new ATOM 0 HH11 ARG A 29 -21.416 2.305 11.420 1.00 2.49 H new ATOM 0 HH12 ARG A 29 -21.616 1.933 13.135 1.00 2.49 H new ATOM 0 HH21 ARG A 29 -18.542 3.347 14.098 1.00 3.04 H new ATOM 0 HH22 ARG A 29 -20.006 2.517 14.636 1.00 3.04 H new ATOM 450 N HIS A 30 -17.392 8.406 10.902 1.00 0.83 N ATOM 451 CA HIS A 30 -17.399 9.628 11.693 1.00 0.98 C ATOM 452 C HIS A 30 -16.621 10.741 11.022 1.00 0.95 C ATOM 453 O HIS A 30 -16.226 11.724 11.649 1.00 1.10 O ATOM 454 CB HIS A 30 -16.830 9.349 13.065 1.00 1.15 C ATOM 455 CG HIS A 30 -17.749 8.592 13.955 1.00 1.60 C ATOM 456 ND1 HIS A 30 -17.417 7.424 14.607 1.00 2.04 N ATOM 457 CD2 HIS A 30 -19.012 8.864 14.294 1.00 2.10 C ATOM 458 CE1 HIS A 30 -18.456 7.012 15.308 1.00 2.61 C ATOM 459 NE2 HIS A 30 -19.443 7.870 15.137 1.00 2.65 N ATOM 0 H HIS A 30 -16.729 7.703 11.229 1.00 0.83 H new ATOM 0 HA HIS A 30 -18.433 9.962 11.784 1.00 0.98 H new ATOM 0 HB2 HIS A 30 -15.902 8.788 12.956 1.00 1.15 H new ATOM 0 HB3 HIS A 30 -16.576 10.296 13.542 1.00 1.15 H new ATOM 0 HD1 HIS A 30 -16.513 6.954 14.556 1.00 2.04 H new ATOM 0 HD2 HIS A 30 -19.591 9.714 13.964 1.00 2.10 H new ATOM 0 HE1 HIS A 30 -18.492 6.122 15.919 1.00 2.61 H new ATOM 468 N SER A 31 -16.408 10.561 9.749 1.00 0.82 N ATOM 469 CA SER A 31 -15.773 11.560 8.912 1.00 0.84 C ATOM 470 C SER A 31 -16.817 12.217 8.023 1.00 1.00 C ATOM 471 O SER A 31 -16.878 13.444 7.925 1.00 1.38 O ATOM 472 CB SER A 31 -14.665 10.930 8.058 1.00 0.78 C ATOM 473 OG SER A 31 -13.613 10.449 8.869 1.00 1.46 O ATOM 0 H SER A 31 -16.670 9.710 9.251 1.00 0.82 H new ATOM 0 HA SER A 31 -15.317 12.316 9.551 1.00 0.84 H new ATOM 0 HB2 SER A 31 -15.077 10.112 7.467 1.00 0.78 H new ATOM 0 HB3 SER A 31 -14.279 11.668 7.355 1.00 0.78 H new ATOM 0 HG SER A 31 -13.803 9.526 9.138 1.00 1.46 H new ATOM 479 N LYS A 32 -17.655 11.393 7.405 1.00 0.91 N ATOM 480 CA LYS A 32 -18.670 11.876 6.487 1.00 1.09 C ATOM 481 C LYS A 32 -19.568 10.727 6.049 1.00 1.10 C ATOM 482 O LYS A 32 -19.560 9.668 6.677 1.00 1.37 O ATOM 483 CB LYS A 32 -18.000 12.559 5.289 1.00 1.39 C ATOM 484 CG LYS A 32 -17.248 11.620 4.357 1.00 1.56 C ATOM 485 CD LYS A 32 -16.147 12.356 3.602 1.00 2.24 C ATOM 486 CE LYS A 32 -16.686 13.548 2.822 1.00 3.10 C ATOM 487 NZ LYS A 32 -15.599 14.314 2.150 1.00 3.92 N ATOM 0 H LYS A 32 -17.648 10.380 7.527 1.00 0.91 H new ATOM 0 HA LYS A 32 -19.298 12.613 6.988 1.00 1.09 H new ATOM 0 HB2 LYS A 32 -18.763 13.084 4.715 1.00 1.39 H new ATOM 0 HB3 LYS A 32 -17.306 13.313 5.660 1.00 1.39 H new ATOM 0 HG2 LYS A 32 -16.814 10.803 4.933 1.00 1.56 H new ATOM 0 HG3 LYS A 32 -17.944 11.174 3.647 1.00 1.56 H new ATOM 0 HD2 LYS A 32 -15.390 12.697 4.308 1.00 2.24 H new ATOM 0 HD3 LYS A 32 -15.655 11.667 2.916 1.00 2.24 H new ATOM 0 HE2 LYS A 32 -17.399 13.200 2.075 1.00 3.10 H new ATOM 0 HE3 LYS A 32 -17.230 14.208 3.498 1.00 3.10 H new ATOM 0 HZ1 LYS A 32 -15.926 15.282 1.956 1.00 3.92 H new ATOM 0 HZ2 LYS A 32 -14.764 14.348 2.769 1.00 3.92 H new ATOM 0 HZ3 LYS A 32 -15.347 13.847 1.255 1.00 3.92 H new ATOM 501 N VAL A 33 -20.316 10.952 4.972 1.00 1.17 N ATOM 502 CA VAL A 33 -21.321 10.016 4.444 1.00 1.39 C ATOM 503 C VAL A 33 -22.258 9.458 5.527 1.00 1.51 C ATOM 504 O VAL A 33 -23.311 10.044 5.785 1.00 2.31 O ATOM 505 CB VAL A 33 -20.716 8.885 3.543 1.00 2.16 C ATOM 506 CG1 VAL A 33 -19.604 8.095 4.223 1.00 3.10 C ATOM 507 CG2 VAL A 33 -21.813 7.946 3.053 1.00 3.06 C ATOM 0 H VAL A 33 -20.243 11.809 4.424 1.00 1.17 H new ATOM 0 HA VAL A 33 -21.942 10.622 3.784 1.00 1.39 H new ATOM 0 HB VAL A 33 -20.258 9.387 2.691 1.00 2.16 H new ATOM 0 HG11 VAL A 33 -19.232 7.330 3.542 1.00 3.10 H new ATOM 0 HG12 VAL A 33 -18.790 8.769 4.490 1.00 3.10 H new ATOM 0 HG13 VAL A 33 -19.993 7.621 5.124 1.00 3.10 H new ATOM 0 HG21 VAL A 33 -21.374 7.168 2.429 1.00 3.06 H new ATOM 0 HG22 VAL A 33 -22.309 7.488 3.909 1.00 3.06 H new ATOM 0 HG23 VAL A 33 -22.541 8.510 2.470 1.00 3.06 H new ATOM 517 N THR A 34 -21.891 8.365 6.170 1.00 1.46 N ATOM 518 CA THR A 34 -22.774 7.721 7.120 1.00 1.91 C ATOM 519 C THR A 34 -22.449 8.102 8.554 1.00 2.50 C ATOM 520 O THR A 34 -21.413 7.721 9.098 1.00 2.78 O ATOM 521 CB THR A 34 -22.702 6.202 6.986 1.00 1.83 C ATOM 522 OG1 THR A 34 -21.336 5.780 6.991 1.00 2.42 O ATOM 523 CG2 THR A 34 -23.393 5.737 5.720 1.00 1.73 C ATOM 0 H THR A 34 -20.988 7.906 6.051 1.00 1.46 H new ATOM 0 HA THR A 34 -23.781 8.067 6.888 1.00 1.91 H new ATOM 0 HB THR A 34 -23.218 5.754 7.835 1.00 1.83 H new ATOM 0 HG1 THR A 34 -21.134 5.317 6.151 1.00 2.42 H new ATOM 0 HG21 THR A 34 -23.328 4.651 5.648 1.00 1.73 H new ATOM 0 HG22 THR A 34 -24.441 6.037 5.746 1.00 1.73 H new ATOM 0 HG23 THR A 34 -22.908 6.188 4.854 1.00 1.73 H new ATOM 531 N GLU A 35 -23.360 8.830 9.165 1.00 3.15 N ATOM 532 CA GLU A 35 -23.220 9.221 10.560 1.00 3.98 C ATOM 533 C GLU A 35 -23.754 8.113 11.453 1.00 4.05 C ATOM 534 O GLU A 35 -23.203 7.826 12.518 1.00 4.33 O ATOM 535 CB GLU A 35 -23.977 10.519 10.833 1.00 4.75 C ATOM 536 CG GLU A 35 -23.508 11.693 9.992 1.00 5.08 C ATOM 537 CD GLU A 35 -24.298 12.952 10.274 1.00 5.84 C ATOM 538 OE1 GLU A 35 -25.381 13.127 9.666 1.00 6.16 O ATOM 539 OE2 GLU A 35 -23.844 13.767 11.104 1.00 6.34 O ATOM 0 H GLU A 35 -24.212 9.167 8.717 1.00 3.15 H new ATOM 0 HA GLU A 35 -22.164 9.386 10.775 1.00 3.98 H new ATOM 0 HB2 GLU A 35 -25.039 10.354 10.650 1.00 4.75 H new ATOM 0 HB3 GLU A 35 -23.872 10.775 11.887 1.00 4.75 H new ATOM 0 HG2 GLU A 35 -22.452 11.878 10.187 1.00 5.08 H new ATOM 0 HG3 GLU A 35 -23.597 11.439 8.936 1.00 5.08 H new ATOM 546 N GLN A 36 -24.821 7.487 10.985 1.00 4.07 N ATOM 547 CA GLN A 36 -25.479 6.399 11.695 1.00 4.38 C ATOM 548 C GLN A 36 -26.537 5.794 10.786 1.00 4.02 C ATOM 549 O GLN A 36 -26.714 4.576 10.725 1.00 4.41 O ATOM 550 CB GLN A 36 -26.122 6.917 12.985 1.00 5.16 C ATOM 551 CG GLN A 36 -26.915 5.868 13.746 1.00 5.59 C ATOM 552 CD GLN A 36 -27.553 6.424 14.999 1.00 6.26 C ATOM 553 OE1 GLN A 36 -27.883 7.610 15.072 1.00 6.59 O ATOM 554 NE2 GLN A 36 -27.734 5.577 15.999 1.00 6.79 N ATOM 0 H GLN A 36 -25.260 7.720 10.094 1.00 4.07 H new ATOM 0 HA GLN A 36 -24.745 5.639 11.964 1.00 4.38 H new ATOM 0 HB2 GLN A 36 -25.341 7.310 13.636 1.00 5.16 H new ATOM 0 HB3 GLN A 36 -26.782 7.750 12.741 1.00 5.16 H new ATOM 0 HG2 GLN A 36 -27.690 5.461 13.097 1.00 5.59 H new ATOM 0 HG3 GLN A 36 -26.256 5.042 14.013 1.00 5.59 H new ATOM 0 HE21 GLN A 36 -27.448 4.603 15.900 1.00 6.79 H new ATOM 0 HE22 GLN A 36 -28.160 5.898 16.868 1.00 6.79 H new ATOM 563 N GLU A 37 -27.218 6.672 10.070 1.00 3.65 N ATOM 564 CA GLU A 37 -28.269 6.301 9.159 1.00 3.72 C ATOM 565 C GLU A 37 -27.914 6.742 7.742 1.00 3.46 C ATOM 566 O GLU A 37 -26.889 7.397 7.537 1.00 3.48 O ATOM 567 CB GLU A 37 -29.574 6.968 9.606 1.00 4.27 C ATOM 568 CG GLU A 37 -29.564 8.496 9.526 1.00 4.95 C ATOM 569 CD GLU A 37 -28.596 9.161 10.493 1.00 5.60 C ATOM 570 OE1 GLU A 37 -28.987 9.435 11.649 1.00 5.76 O ATOM 571 OE2 GLU A 37 -27.436 9.404 10.105 1.00 6.24 O ATOM 0 H GLU A 37 -27.048 7.677 10.111 1.00 3.65 H new ATOM 0 HA GLU A 37 -28.391 5.218 9.163 1.00 3.72 H new ATOM 0 HB2 GLU A 37 -30.390 6.590 8.991 1.00 4.27 H new ATOM 0 HB3 GLU A 37 -29.786 6.672 10.633 1.00 4.27 H new ATOM 0 HG2 GLU A 37 -29.308 8.794 8.509 1.00 4.95 H new ATOM 0 HG3 GLU A 37 -30.570 8.866 9.723 1.00 4.95 H new ATOM 578 N ALA A 38 -28.761 6.366 6.780 1.00 3.77 N ATOM 579 CA ALA A 38 -28.651 6.834 5.396 1.00 4.17 C ATOM 580 C ALA A 38 -27.375 6.343 4.712 1.00 4.07 C ATOM 581 O ALA A 38 -26.617 5.552 5.273 1.00 4.46 O ATOM 582 CB ALA A 38 -28.730 8.356 5.341 1.00 4.95 C ATOM 0 H ALA A 38 -29.542 5.729 6.939 1.00 3.77 H new ATOM 0 HA ALA A 38 -29.492 6.409 4.848 1.00 4.17 H new ATOM 0 HB1 ALA A 38 -28.647 8.687 4.306 1.00 4.95 H new ATOM 0 HB2 ALA A 38 -29.684 8.686 5.752 1.00 4.95 H new ATOM 0 HB3 ALA A 38 -27.916 8.784 5.926 1.00 4.95 H new ATOM 588 N GLY A 39 -27.167 6.791 3.480 1.00 4.00 N ATOM 589 CA GLY A 39 -25.966 6.441 2.748 1.00 4.22 C ATOM 590 C GLY A 39 -26.072 5.088 2.077 1.00 4.22 C ATOM 591 O GLY A 39 -26.055 4.983 0.848 1.00 4.68 O ATOM 0 H GLY A 39 -27.814 7.395 2.972 1.00 4.00 H new ATOM 0 HA2 GLY A 39 -25.769 7.203 1.994 1.00 4.22 H new ATOM 0 HA3 GLY A 39 -25.116 6.440 3.430 1.00 4.22 H new ATOM 595 N GLY A 40 -26.201 4.056 2.891 1.00 4.14 N ATOM 596 CA GLY A 40 -26.266 2.700 2.388 1.00 4.55 C ATOM 597 C GLY A 40 -25.688 1.714 3.373 1.00 4.28 C ATOM 598 O GLY A 40 -24.627 1.132 3.138 1.00 4.37 O ATOM 0 H GLY A 40 -26.263 4.134 3.906 1.00 4.14 H new ATOM 0 HA2 GLY A 40 -27.303 2.439 2.177 1.00 4.55 H new ATOM 0 HA3 GLY A 40 -25.723 2.635 1.445 1.00 4.55 H new ATOM 602 N ILE A 41 -26.380 1.535 4.490 1.00 4.35 N ATOM 603 CA ILE A 41 -25.897 0.677 5.555 1.00 4.40 C ATOM 604 C ILE A 41 -27.052 0.083 6.359 1.00 4.54 C ATOM 605 O ILE A 41 -27.984 0.782 6.758 1.00 5.04 O ATOM 606 CB ILE A 41 -24.944 1.450 6.506 1.00 4.99 C ATOM 607 CG1 ILE A 41 -24.489 0.562 7.669 1.00 5.27 C ATOM 608 CG2 ILE A 41 -25.614 2.710 7.035 1.00 5.57 C ATOM 609 CD1 ILE A 41 -23.711 -0.656 7.232 1.00 5.56 C ATOM 0 H ILE A 41 -27.280 1.976 4.679 1.00 4.35 H new ATOM 0 HA ILE A 41 -25.345 -0.137 5.085 1.00 4.40 H new ATOM 0 HB ILE A 41 -24.064 1.740 5.932 1.00 4.99 H new ATOM 0 HG12 ILE A 41 -23.872 1.153 8.346 1.00 5.27 H new ATOM 0 HG13 ILE A 41 -25.364 0.240 8.233 1.00 5.27 H new ATOM 0 HG21 ILE A 41 -24.928 3.236 7.699 1.00 5.57 H new ATOM 0 HG22 ILE A 41 -25.879 3.359 6.200 1.00 5.57 H new ATOM 0 HG23 ILE A 41 -26.515 2.439 7.585 1.00 5.57 H new ATOM 0 HD11 ILE A 41 -23.422 -1.237 8.108 1.00 5.56 H new ATOM 0 HD12 ILE A 41 -24.332 -1.269 6.579 1.00 5.56 H new ATOM 0 HD13 ILE A 41 -22.817 -0.343 6.693 1.00 5.56 H new ATOM 621 N THR A 42 -26.991 -1.221 6.572 1.00 4.43 N ATOM 622 CA THR A 42 -27.909 -1.891 7.467 1.00 4.86 C ATOM 623 C THR A 42 -27.137 -2.366 8.689 1.00 4.64 C ATOM 624 O THR A 42 -25.991 -2.793 8.573 1.00 4.68 O ATOM 625 CB THR A 42 -28.583 -3.101 6.795 1.00 5.21 C ATOM 626 OG1 THR A 42 -28.768 -2.851 5.396 1.00 5.55 O ATOM 627 CG2 THR A 42 -29.929 -3.399 7.439 1.00 5.93 C ATOM 0 H THR A 42 -26.308 -1.838 6.132 1.00 4.43 H new ATOM 0 HA THR A 42 -28.691 -1.186 7.747 1.00 4.86 H new ATOM 0 HB THR A 42 -27.932 -3.965 6.927 1.00 5.21 H new ATOM 0 HG1 THR A 42 -29.196 -3.628 4.979 1.00 5.55 H new ATOM 0 HG21 THR A 42 -30.386 -4.258 6.947 1.00 5.93 H new ATOM 0 HG22 THR A 42 -29.785 -3.621 8.497 1.00 5.93 H new ATOM 0 HG23 THR A 42 -30.582 -2.532 7.335 1.00 5.93 H new ATOM 635 N GLN A 43 -27.767 -2.311 9.852 1.00 4.73 N ATOM 636 CA GLN A 43 -27.087 -2.625 11.109 1.00 4.79 C ATOM 637 C GLN A 43 -26.923 -4.137 11.313 1.00 4.45 C ATOM 638 O GLN A 43 -26.865 -4.619 12.443 1.00 4.74 O ATOM 639 CB GLN A 43 -27.839 -1.992 12.284 1.00 5.52 C ATOM 640 CG GLN A 43 -29.271 -2.483 12.442 1.00 5.96 C ATOM 641 CD GLN A 43 -30.061 -1.675 13.458 1.00 6.23 C ATOM 642 OE1 GLN A 43 -29.376 -1.092 14.429 1.00 6.39 O flip ATOM 643 NE2 GLN A 43 -31.283 -1.565 13.359 1.00 6.63 N flip ATOM 0 H GLN A 43 -28.748 -2.052 9.957 1.00 4.73 H new ATOM 0 HA GLN A 43 -26.083 -2.202 11.061 1.00 4.79 H new ATOM 0 HB2 GLN A 43 -27.292 -2.197 13.204 1.00 5.52 H new ATOM 0 HB3 GLN A 43 -27.850 -0.910 12.154 1.00 5.52 H new ATOM 0 HG2 GLN A 43 -29.775 -2.437 11.477 1.00 5.96 H new ATOM 0 HG3 GLN A 43 -29.260 -3.530 12.746 1.00 5.96 H new ATOM 0 HE21 GLN A 43 -31.777 -2.029 12.597 1.00 6.63 H new ATOM 0 HE22 GLN A 43 -31.802 -1.010 14.039 1.00 6.63 H new ATOM 652 N HIS A 44 -26.848 -4.876 10.214 1.00 4.15 N ATOM 653 CA HIS A 44 -26.594 -6.313 10.257 1.00 4.05 C ATOM 654 C HIS A 44 -25.655 -6.698 9.126 1.00 3.55 C ATOM 655 O HIS A 44 -25.674 -7.824 8.634 1.00 3.72 O ATOM 656 CB HIS A 44 -27.892 -7.124 10.147 1.00 4.61 C ATOM 657 CG HIS A 44 -28.752 -7.085 11.371 1.00 5.23 C ATOM 658 ND1 HIS A 44 -28.648 -8.002 12.392 1.00 5.76 N ATOM 659 CD2 HIS A 44 -29.746 -6.240 11.729 1.00 5.72 C ATOM 660 CE1 HIS A 44 -29.538 -7.724 13.324 1.00 6.54 C ATOM 661 NE2 HIS A 44 -30.216 -6.656 12.944 1.00 6.49 N ATOM 0 H HIS A 44 -26.960 -4.501 9.272 1.00 4.15 H new ATOM 0 HA HIS A 44 -26.137 -6.543 11.219 1.00 4.05 H new ATOM 0 HB2 HIS A 44 -28.469 -6.750 9.301 1.00 4.61 H new ATOM 0 HB3 HIS A 44 -27.640 -8.162 9.928 1.00 4.61 H new ATOM 0 HD2 HIS A 44 -30.102 -5.394 11.161 1.00 5.72 H new ATOM 0 HE1 HIS A 44 -29.687 -8.275 14.241 1.00 6.54 H new ATOM 0 HE2 HIS A 44 -30.968 -6.213 13.471 1.00 6.49 H new ATOM 670 N ILE A 45 -24.834 -5.743 8.729 1.00 3.31 N ATOM 671 CA ILE A 45 -23.932 -5.906 7.594 1.00 3.06 C ATOM 672 C ILE A 45 -22.523 -5.485 7.993 1.00 2.33 C ATOM 673 O ILE A 45 -22.337 -4.744 8.958 1.00 2.50 O ATOM 674 CB ILE A 45 -24.400 -5.057 6.378 1.00 3.87 C ATOM 675 CG1 ILE A 45 -25.840 -5.411 5.989 1.00 4.51 C ATOM 676 CG2 ILE A 45 -23.486 -5.238 5.170 1.00 4.43 C ATOM 677 CD1 ILE A 45 -26.006 -6.845 5.534 1.00 5.17 C ATOM 0 H ILE A 45 -24.771 -4.831 9.182 1.00 3.31 H new ATOM 0 HA ILE A 45 -23.938 -6.957 7.304 1.00 3.06 H new ATOM 0 HB ILE A 45 -24.354 -4.012 6.686 1.00 3.87 H new ATOM 0 HG12 ILE A 45 -26.494 -5.231 6.843 1.00 4.51 H new ATOM 0 HG13 ILE A 45 -26.167 -4.744 5.191 1.00 4.51 H new ATOM 0 HG21 ILE A 45 -23.850 -4.627 4.344 1.00 4.43 H new ATOM 0 HG22 ILE A 45 -22.473 -4.930 5.431 1.00 4.43 H new ATOM 0 HG23 ILE A 45 -23.481 -6.286 4.871 1.00 4.43 H new ATOM 0 HD11 ILE A 45 -27.049 -7.026 5.274 1.00 5.17 H new ATOM 0 HD12 ILE A 45 -25.378 -7.025 4.661 1.00 5.17 H new ATOM 0 HD13 ILE A 45 -25.710 -7.518 6.338 1.00 5.17 H new ATOM 689 N GLY A 46 -21.546 -5.976 7.255 1.00 2.18 N ATOM 690 CA GLY A 46 -20.170 -5.598 7.487 1.00 2.10 C ATOM 691 C GLY A 46 -19.715 -4.577 6.471 1.00 1.86 C ATOM 692 O GLY A 46 -19.939 -4.765 5.274 1.00 2.51 O ATOM 0 H GLY A 46 -21.682 -6.637 6.490 1.00 2.18 H new ATOM 0 HA2 GLY A 46 -20.065 -5.189 8.492 1.00 2.10 H new ATOM 0 HA3 GLY A 46 -19.532 -6.480 7.433 1.00 2.10 H new ATOM 696 N ALA A 47 -19.082 -3.504 6.947 1.00 1.36 N ATOM 697 CA ALA A 47 -18.704 -2.374 6.097 1.00 1.12 C ATOM 698 C ALA A 47 -19.946 -1.648 5.600 1.00 1.01 C ATOM 699 O ALA A 47 -21.046 -1.873 6.104 1.00 1.17 O ATOM 700 CB ALA A 47 -17.823 -2.818 4.936 1.00 1.29 C ATOM 0 H ALA A 47 -18.818 -3.394 7.926 1.00 1.36 H new ATOM 0 HA ALA A 47 -18.117 -1.680 6.698 1.00 1.12 H new ATOM 0 HB1 ALA A 47 -17.562 -1.953 4.326 1.00 1.29 H new ATOM 0 HB2 ALA A 47 -16.913 -3.277 5.324 1.00 1.29 H new ATOM 0 HB3 ALA A 47 -18.363 -3.542 4.326 1.00 1.29 H new ATOM 706 N TYR A 48 -19.772 -0.781 4.621 1.00 0.85 N ATOM 707 CA TYR A 48 -20.854 0.076 4.172 1.00 0.89 C ATOM 708 C TYR A 48 -20.499 0.702 2.832 1.00 0.81 C ATOM 709 O TYR A 48 -19.397 0.507 2.314 1.00 0.73 O ATOM 710 CB TYR A 48 -21.131 1.170 5.206 1.00 0.97 C ATOM 711 CG TYR A 48 -20.107 2.281 5.214 1.00 0.94 C ATOM 712 CD1 TYR A 48 -18.825 2.075 5.702 1.00 0.92 C ATOM 713 CD2 TYR A 48 -20.432 3.534 4.728 1.00 1.20 C ATOM 714 CE1 TYR A 48 -17.895 3.097 5.704 1.00 1.15 C ATOM 715 CE2 TYR A 48 -19.513 4.561 4.724 1.00 1.40 C ATOM 716 CZ TYR A 48 -18.245 4.339 5.212 1.00 1.37 C ATOM 717 OH TYR A 48 -17.324 5.362 5.210 1.00 1.70 O ATOM 0 H TYR A 48 -18.892 -0.651 4.121 1.00 0.85 H new ATOM 0 HA TYR A 48 -21.754 -0.528 4.055 1.00 0.89 H new ATOM 0 HB2 TYR A 48 -22.115 1.598 5.013 1.00 0.97 H new ATOM 0 HB3 TYR A 48 -21.169 0.718 6.197 1.00 0.97 H new ATOM 0 HD1 TYR A 48 -18.550 1.103 6.085 1.00 0.92 H new ATOM 0 HD2 TYR A 48 -21.426 3.711 4.344 1.00 1.20 H new ATOM 0 HE1 TYR A 48 -16.900 2.925 6.088 1.00 1.15 H new ATOM 0 HE2 TYR A 48 -19.786 5.533 4.341 1.00 1.40 H new ATOM 0 HH TYR A 48 -17.731 6.168 4.829 1.00 1.70 H new ATOM 727 N GLN A 49 -21.437 1.457 2.281 1.00 0.91 N ATOM 728 CA GLN A 49 -21.235 2.123 1.005 1.00 0.89 C ATOM 729 C GLN A 49 -20.806 3.568 1.236 1.00 0.90 C ATOM 730 O GLN A 49 -21.569 4.367 1.774 1.00 1.02 O ATOM 731 CB GLN A 49 -22.529 2.097 0.194 1.00 1.02 C ATOM 732 CG GLN A 49 -23.195 0.732 0.160 1.00 1.09 C ATOM 733 CD GLN A 49 -24.564 0.764 -0.488 1.00 1.45 C ATOM 734 OE1 GLN A 49 -24.822 1.561 -1.388 1.00 1.87 O ATOM 735 NE2 GLN A 49 -25.456 -0.092 -0.018 1.00 1.91 N ATOM 0 H GLN A 49 -22.351 1.624 2.701 1.00 0.91 H new ATOM 0 HA GLN A 49 -20.454 1.600 0.453 1.00 0.89 H new ATOM 0 HB2 GLN A 49 -23.226 2.822 0.614 1.00 1.02 H new ATOM 0 HB3 GLN A 49 -22.315 2.414 -0.827 1.00 1.02 H new ATOM 0 HG2 GLN A 49 -22.557 0.035 -0.383 1.00 1.09 H new ATOM 0 HG3 GLN A 49 -23.288 0.353 1.178 1.00 1.09 H new ATOM 0 HE21 GLN A 49 -25.200 -0.736 0.730 1.00 1.91 H new ATOM 0 HE22 GLN A 49 -26.400 -0.108 -0.404 1.00 1.91 H new ATOM 744 N VAL A 50 -19.588 3.892 0.833 1.00 0.85 N ATOM 745 CA VAL A 50 -19.068 5.244 0.993 1.00 0.91 C ATOM 746 C VAL A 50 -19.680 6.162 -0.068 1.00 0.96 C ATOM 747 O VAL A 50 -20.217 5.698 -1.073 1.00 1.01 O ATOM 748 CB VAL A 50 -17.518 5.264 0.897 1.00 0.93 C ATOM 749 CG1 VAL A 50 -16.950 6.640 1.228 1.00 1.53 C ATOM 750 CG2 VAL A 50 -16.913 4.213 1.819 1.00 1.34 C ATOM 0 H VAL A 50 -18.940 3.239 0.393 1.00 0.85 H new ATOM 0 HA VAL A 50 -19.345 5.605 1.984 1.00 0.91 H new ATOM 0 HB VAL A 50 -17.252 5.031 -0.134 1.00 0.93 H new ATOM 0 HG11 VAL A 50 -15.863 6.613 1.150 1.00 1.53 H new ATOM 0 HG12 VAL A 50 -17.346 7.375 0.528 1.00 1.53 H new ATOM 0 HG13 VAL A 50 -17.234 6.916 2.243 1.00 1.53 H new ATOM 0 HG21 VAL A 50 -15.826 4.241 1.739 1.00 1.34 H new ATOM 0 HG22 VAL A 50 -17.207 4.420 2.848 1.00 1.34 H new ATOM 0 HG23 VAL A 50 -17.273 3.225 1.530 1.00 1.34 H new ATOM 760 N THR A 51 -19.622 7.459 0.186 1.00 1.09 N ATOM 761 CA THR A 51 -20.220 8.471 -0.664 1.00 1.16 C ATOM 762 C THR A 51 -19.470 9.783 -0.446 1.00 1.19 C ATOM 763 O THR A 51 -19.865 10.606 0.374 1.00 1.28 O ATOM 764 CB THR A 51 -21.718 8.647 -0.320 1.00 1.29 C ATOM 765 OG1 THR A 51 -22.409 7.408 -0.528 1.00 1.51 O ATOM 766 CG2 THR A 51 -22.363 9.732 -1.166 1.00 1.42 C ATOM 0 H THR A 51 -19.149 7.843 1.004 1.00 1.09 H new ATOM 0 HA THR A 51 -20.149 8.168 -1.709 1.00 1.16 H new ATOM 0 HB THR A 51 -21.788 8.946 0.726 1.00 1.29 H new ATOM 0 HG1 THR A 51 -23.357 7.521 -0.308 1.00 1.51 H new ATOM 0 HG21 THR A 51 -23.415 9.827 -0.896 1.00 1.42 H new ATOM 0 HG22 THR A 51 -21.856 10.681 -0.989 1.00 1.42 H new ATOM 0 HG23 THR A 51 -22.281 9.468 -2.220 1.00 1.42 H new ATOM 774 N VAL A 52 -18.343 9.933 -1.147 1.00 1.36 N ATOM 775 CA VAL A 52 -17.540 11.152 -1.057 1.00 1.62 C ATOM 776 C VAL A 52 -18.384 12.367 -1.418 1.00 1.81 C ATOM 777 O VAL A 52 -18.676 13.212 -0.575 1.00 2.11 O ATOM 778 CB VAL A 52 -16.281 11.080 -1.966 1.00 1.88 C ATOM 779 CG1 VAL A 52 -16.630 10.584 -3.363 1.00 1.98 C ATOM 780 CG2 VAL A 52 -15.603 12.441 -2.050 1.00 2.27 C ATOM 0 H VAL A 52 -17.968 9.227 -1.781 1.00 1.36 H new ATOM 0 HA VAL A 52 -17.198 11.248 -0.027 1.00 1.62 H new ATOM 0 HB VAL A 52 -15.591 10.366 -1.516 1.00 1.88 H new ATOM 0 HG11 VAL A 52 -15.727 10.546 -3.972 1.00 1.98 H new ATOM 0 HG12 VAL A 52 -17.065 9.587 -3.297 1.00 1.98 H new ATOM 0 HG13 VAL A 52 -17.348 11.264 -3.822 1.00 1.98 H new ATOM 0 HG21 VAL A 52 -14.724 12.371 -2.691 1.00 2.27 H new ATOM 0 HG22 VAL A 52 -16.299 13.169 -2.467 1.00 2.27 H new ATOM 0 HG23 VAL A 52 -15.300 12.759 -1.052 1.00 2.27 H new ATOM 790 N ASN A 53 -18.763 12.439 -2.674 1.00 1.81 N ATOM 791 CA ASN A 53 -19.725 13.390 -3.126 1.00 1.99 C ATOM 792 C ASN A 53 -21.042 12.653 -3.257 1.00 1.80 C ATOM 793 O ASN A 53 -22.017 12.953 -2.570 1.00 1.82 O ATOM 794 CB ASN A 53 -19.303 13.970 -4.465 1.00 2.39 C ATOM 795 CG ASN A 53 -17.870 14.447 -4.516 1.00 3.10 C ATOM 796 OD1 ASN A 53 -17.270 14.812 -3.503 1.00 3.68 O ATOM 797 ND2 ASN A 53 -17.325 14.483 -5.712 1.00 3.42 N ATOM 0 H ASN A 53 -18.403 11.829 -3.408 1.00 1.81 H new ATOM 0 HA ASN A 53 -19.814 14.220 -2.425 1.00 1.99 H new ATOM 0 HB2 ASN A 53 -19.449 13.214 -5.237 1.00 2.39 H new ATOM 0 HB3 ASN A 53 -19.960 14.805 -4.708 1.00 2.39 H new ATOM 0 HD21 ASN A 53 -16.370 14.823 -5.827 1.00 3.42 H new ATOM 0 HD22 ASN A 53 -17.857 14.171 -6.524 1.00 3.42 H new ATOM 804 N ASP A 54 -21.024 11.650 -4.130 1.00 1.81 N ATOM 805 CA ASP A 54 -22.120 10.703 -4.264 1.00 1.82 C ATOM 806 C ASP A 54 -21.631 9.449 -4.973 1.00 2.08 C ATOM 807 O ASP A 54 -22.335 8.853 -5.790 1.00 2.23 O ATOM 808 CB ASP A 54 -23.293 11.321 -5.022 1.00 2.01 C ATOM 809 CG ASP A 54 -22.914 11.813 -6.408 1.00 2.47 C ATOM 810 OD1 ASP A 54 -22.327 12.908 -6.523 1.00 2.99 O ATOM 811 OD2 ASP A 54 -23.205 11.101 -7.392 1.00 2.69 O ATOM 0 H ASP A 54 -20.246 11.473 -4.765 1.00 1.81 H new ATOM 0 HA ASP A 54 -22.472 10.438 -3.267 1.00 1.82 H new ATOM 0 HB2 ASP A 54 -24.090 10.583 -5.110 1.00 2.01 H new ATOM 0 HB3 ASP A 54 -23.693 12.154 -4.444 1.00 2.01 H new ATOM 816 N LYS A 55 -20.425 9.031 -4.630 1.00 2.27 N ATOM 817 CA LYS A 55 -19.783 7.928 -5.327 1.00 2.75 C ATOM 818 C LYS A 55 -19.771 6.701 -4.433 1.00 1.92 C ATOM 819 O LYS A 55 -19.075 6.677 -3.418 1.00 2.45 O ATOM 820 CB LYS A 55 -18.362 8.312 -5.748 1.00 4.02 C ATOM 821 CG LYS A 55 -18.309 9.494 -6.707 1.00 5.04 C ATOM 822 CD LYS A 55 -16.876 9.930 -6.981 1.00 5.92 C ATOM 823 CE LYS A 55 -16.815 11.231 -7.776 1.00 6.66 C ATOM 824 NZ LYS A 55 -17.159 11.043 -9.212 1.00 7.36 N ATOM 0 H LYS A 55 -19.871 9.437 -3.876 1.00 2.27 H new ATOM 0 HA LYS A 55 -20.347 7.699 -6.231 1.00 2.75 H new ATOM 0 HB2 LYS A 55 -17.780 8.551 -4.858 1.00 4.02 H new ATOM 0 HB3 LYS A 55 -17.886 7.451 -6.218 1.00 4.02 H new ATOM 0 HG2 LYS A 55 -18.793 9.224 -7.645 1.00 5.04 H new ATOM 0 HG3 LYS A 55 -18.870 10.329 -6.287 1.00 5.04 H new ATOM 0 HD2 LYS A 55 -16.349 10.058 -6.035 1.00 5.92 H new ATOM 0 HD3 LYS A 55 -16.357 9.145 -7.531 1.00 5.92 H new ATOM 0 HE2 LYS A 55 -17.500 11.955 -7.334 1.00 6.66 H new ATOM 0 HE3 LYS A 55 -15.813 11.653 -7.699 1.00 6.66 H new ATOM 0 HZ1 LYS A 55 -17.899 11.722 -9.484 1.00 7.36 H new ATOM 0 HZ2 LYS A 55 -16.313 11.201 -9.795 1.00 7.36 H new ATOM 0 HZ3 LYS A 55 -17.506 10.074 -9.362 1.00 7.36 H new ATOM 838 N LYS A 56 -20.565 5.709 -4.809 1.00 1.27 N ATOM 839 CA LYS A 56 -20.757 4.513 -3.998 1.00 1.10 C ATOM 840 C LYS A 56 -19.488 3.679 -3.930 1.00 1.03 C ATOM 841 O LYS A 56 -18.982 3.206 -4.948 1.00 1.91 O ATOM 842 CB LYS A 56 -21.889 3.662 -4.573 1.00 1.91 C ATOM 843 CG LYS A 56 -22.206 2.424 -3.748 1.00 2.63 C ATOM 844 CD LYS A 56 -23.155 1.499 -4.489 1.00 3.33 C ATOM 845 CE LYS A 56 -24.446 2.211 -4.864 1.00 3.92 C ATOM 846 NZ LYS A 56 -25.215 1.452 -5.882 1.00 4.46 N ATOM 0 H LYS A 56 -21.093 5.709 -5.682 1.00 1.27 H new ATOM 0 HA LYS A 56 -21.014 4.837 -2.989 1.00 1.10 H new ATOM 0 HB2 LYS A 56 -22.787 4.274 -4.652 1.00 1.91 H new ATOM 0 HB3 LYS A 56 -21.623 3.355 -5.584 1.00 1.91 H new ATOM 0 HG2 LYS A 56 -21.283 1.892 -3.516 1.00 2.63 H new ATOM 0 HG3 LYS A 56 -22.651 2.721 -2.798 1.00 2.63 H new ATOM 0 HD2 LYS A 56 -22.670 1.124 -5.390 1.00 3.33 H new ATOM 0 HD3 LYS A 56 -23.383 0.634 -3.866 1.00 3.33 H new ATOM 0 HE2 LYS A 56 -25.058 2.348 -3.973 1.00 3.92 H new ATOM 0 HE3 LYS A 56 -24.215 3.205 -5.248 1.00 3.92 H new ATOM 0 HZ1 LYS A 56 -26.088 1.967 -6.113 1.00 4.46 H new ATOM 0 HZ2 LYS A 56 -24.640 1.343 -6.742 1.00 4.46 H new ATOM 0 HZ3 LYS A 56 -25.457 0.513 -5.506 1.00 4.46 H new ATOM 860 N ILE A 57 -18.979 3.511 -2.722 1.00 0.92 N ATOM 861 CA ILE A 57 -17.822 2.663 -2.485 1.00 0.72 C ATOM 862 C ILE A 57 -18.136 1.676 -1.372 1.00 0.69 C ATOM 863 O ILE A 57 -17.981 1.989 -0.192 1.00 0.80 O ATOM 864 CB ILE A 57 -16.578 3.487 -2.088 1.00 0.65 C ATOM 865 CG1 ILE A 57 -16.418 4.710 -2.998 1.00 0.73 C ATOM 866 CG2 ILE A 57 -15.334 2.616 -2.161 1.00 0.71 C ATOM 867 CD1 ILE A 57 -15.358 5.681 -2.523 1.00 0.75 C ATOM 0 H ILE A 57 -19.352 3.955 -1.883 1.00 0.92 H new ATOM 0 HA ILE A 57 -17.601 2.137 -3.414 1.00 0.72 H new ATOM 0 HB ILE A 57 -16.711 3.838 -1.065 1.00 0.65 H new ATOM 0 HG12 ILE A 57 -16.167 4.374 -4.004 1.00 0.73 H new ATOM 0 HG13 ILE A 57 -17.373 5.231 -3.065 1.00 0.73 H new ATOM 0 HG21 ILE A 57 -14.461 3.205 -1.880 1.00 0.71 H new ATOM 0 HG22 ILE A 57 -15.439 1.773 -1.478 1.00 0.71 H new ATOM 0 HG23 ILE A 57 -15.209 2.245 -3.178 1.00 0.71 H new ATOM 0 HD11 ILE A 57 -15.299 6.522 -3.214 1.00 0.75 H new ATOM 0 HD12 ILE A 57 -15.618 6.046 -1.529 1.00 0.75 H new ATOM 0 HD13 ILE A 57 -14.393 5.176 -2.483 1.00 0.75 H new ATOM 879 N THR A 58 -18.604 0.494 -1.735 1.00 0.71 N ATOM 880 CA THR A 58 -18.972 -0.495 -0.737 1.00 0.71 C ATOM 881 C THR A 58 -17.774 -1.363 -0.381 1.00 0.71 C ATOM 882 O THR A 58 -17.500 -2.363 -1.045 1.00 0.82 O ATOM 883 CB THR A 58 -20.131 -1.390 -1.200 1.00 0.85 C ATOM 884 OG1 THR A 58 -21.153 -0.587 -1.817 1.00 0.96 O ATOM 885 CG2 THR A 58 -20.714 -2.141 -0.004 1.00 0.86 C ATOM 0 H THR A 58 -18.737 0.198 -2.702 1.00 0.71 H new ATOM 0 HA THR A 58 -19.305 0.056 0.143 1.00 0.71 H new ATOM 0 HB THR A 58 -19.757 -2.111 -1.927 1.00 0.85 H new ATOM 0 HG1 THR A 58 -21.958 -1.129 -1.952 1.00 0.96 H new ATOM 0 HG21 THR A 58 -21.536 -2.775 -0.338 1.00 0.86 H new ATOM 0 HG22 THR A 58 -19.940 -2.760 0.450 1.00 0.86 H new ATOM 0 HG23 THR A 58 -21.083 -1.425 0.731 1.00 0.86 H new ATOM 893 N PHE A 59 -17.078 -0.949 0.673 1.00 0.67 N ATOM 894 CA PHE A 59 -15.851 -1.613 1.143 1.00 0.77 C ATOM 895 C PHE A 59 -15.990 -3.136 1.302 1.00 0.96 C ATOM 896 O PHE A 59 -14.987 -3.853 1.337 1.00 1.57 O ATOM 897 CB PHE A 59 -15.395 -0.983 2.468 1.00 0.80 C ATOM 898 CG PHE A 59 -14.624 0.305 2.304 1.00 0.72 C ATOM 899 CD1 PHE A 59 -14.786 1.093 1.174 1.00 1.04 C ATOM 900 CD2 PHE A 59 -13.734 0.722 3.281 1.00 1.07 C ATOM 901 CE1 PHE A 59 -14.072 2.267 1.023 1.00 1.06 C ATOM 902 CE2 PHE A 59 -13.020 1.895 3.136 1.00 1.10 C ATOM 903 CZ PHE A 59 -13.190 2.670 2.004 1.00 0.80 C ATOM 0 H PHE A 59 -17.345 -0.139 1.233 1.00 0.67 H new ATOM 0 HA PHE A 59 -15.100 -1.458 0.368 1.00 0.77 H new ATOM 0 HB2 PHE A 59 -16.271 -0.793 3.088 1.00 0.80 H new ATOM 0 HB3 PHE A 59 -14.774 -1.700 3.004 1.00 0.80 H new ATOM 0 HD1 PHE A 59 -15.478 0.786 0.404 1.00 1.04 H new ATOM 0 HD2 PHE A 59 -13.597 0.121 4.168 1.00 1.07 H new ATOM 0 HE1 PHE A 59 -14.205 2.869 0.136 1.00 1.06 H new ATOM 0 HE2 PHE A 59 -12.330 2.207 3.906 1.00 1.10 H new ATOM 0 HZ PHE A 59 -12.634 3.588 1.888 1.00 0.80 H new ATOM 913 N LEU A 60 -17.217 -3.636 1.410 1.00 1.19 N ATOM 914 CA LEU A 60 -17.440 -5.073 1.501 1.00 1.38 C ATOM 915 C LEU A 60 -18.744 -5.457 0.809 1.00 1.95 C ATOM 916 O LEU A 60 -19.818 -5.350 1.395 1.00 2.65 O ATOM 917 CB LEU A 60 -17.467 -5.521 2.967 1.00 1.84 C ATOM 918 CG LEU A 60 -17.542 -7.035 3.195 1.00 2.35 C ATOM 919 CD1 LEU A 60 -16.304 -7.721 2.643 1.00 2.89 C ATOM 920 CD2 LEU A 60 -17.702 -7.342 4.676 1.00 3.21 C ATOM 0 H LEU A 60 -18.066 -3.071 1.436 1.00 1.19 H new ATOM 0 HA LEU A 60 -16.617 -5.579 0.997 1.00 1.38 H new ATOM 0 HB2 LEU A 60 -16.573 -5.141 3.461 1.00 1.84 H new ATOM 0 HB3 LEU A 60 -18.323 -5.055 3.455 1.00 1.84 H new ATOM 0 HG LEU A 60 -18.413 -7.419 2.665 1.00 2.35 H new ATOM 0 HD11 LEU A 60 -16.376 -8.795 2.815 1.00 2.89 H new ATOM 0 HD12 LEU A 60 -16.228 -7.529 1.573 1.00 2.89 H new ATOM 0 HD13 LEU A 60 -15.418 -7.332 3.145 1.00 2.89 H new ATOM 0 HD21 LEU A 60 -17.754 -8.421 4.820 1.00 3.21 H new ATOM 0 HD22 LEU A 60 -16.849 -6.943 5.225 1.00 3.21 H new ATOM 0 HD23 LEU A 60 -18.618 -6.882 5.046 1.00 3.21 H new ATOM 932 N ASP A 61 -18.646 -5.887 -0.445 1.00 2.43 N ATOM 933 CA ASP A 61 -19.823 -6.314 -1.196 1.00 3.40 C ATOM 934 C ASP A 61 -19.499 -7.497 -2.100 1.00 3.45 C ATOM 935 O ASP A 61 -19.894 -8.630 -1.823 1.00 3.73 O ATOM 936 CB ASP A 61 -20.381 -5.161 -2.036 1.00 4.36 C ATOM 937 CG ASP A 61 -21.613 -5.561 -2.828 1.00 5.14 C ATOM 938 OD1 ASP A 61 -22.732 -5.501 -2.276 1.00 5.61 O ATOM 939 OD2 ASP A 61 -21.470 -5.960 -4.003 1.00 5.55 O ATOM 0 H ASP A 61 -17.768 -5.949 -0.961 1.00 2.43 H new ATOM 0 HA ASP A 61 -20.577 -6.624 -0.473 1.00 3.40 H new ATOM 0 HB2 ASP A 61 -20.630 -4.326 -1.381 1.00 4.36 H new ATOM 0 HB3 ASP A 61 -19.610 -4.810 -2.722 1.00 4.36 H new ATOM 944 N THR A 62 -18.769 -7.236 -3.175 1.00 3.65 N ATOM 945 CA THR A 62 -18.443 -8.271 -4.139 1.00 4.03 C ATOM 946 C THR A 62 -16.934 -8.450 -4.279 1.00 4.27 C ATOM 947 O THR A 62 -16.211 -7.499 -4.570 1.00 4.71 O ATOM 948 CB THR A 62 -19.056 -7.964 -5.520 1.00 4.83 C ATOM 949 OG1 THR A 62 -20.481 -7.876 -5.405 1.00 5.19 O ATOM 950 CG2 THR A 62 -18.696 -9.037 -6.539 1.00 5.45 C ATOM 0 H THR A 62 -18.392 -6.315 -3.400 1.00 3.65 H new ATOM 0 HA THR A 62 -18.871 -9.199 -3.761 1.00 4.03 H new ATOM 0 HB THR A 62 -18.649 -7.014 -5.866 1.00 4.83 H new ATOM 0 HG1 THR A 62 -20.736 -6.953 -5.197 1.00 5.19 H new ATOM 0 HG21 THR A 62 -19.144 -8.790 -7.501 1.00 5.45 H new ATOM 0 HG22 THR A 62 -17.612 -9.089 -6.646 1.00 5.45 H new ATOM 0 HG23 THR A 62 -19.074 -10.002 -6.200 1.00 5.45 H new ATOM 958 N PRO A 63 -16.450 -9.673 -4.035 1.00 4.49 N ATOM 959 CA PRO A 63 -15.056 -10.034 -4.269 1.00 5.20 C ATOM 960 C PRO A 63 -14.807 -10.394 -5.727 1.00 5.56 C ATOM 961 O PRO A 63 -15.594 -11.123 -6.343 1.00 6.11 O ATOM 962 CB PRO A 63 -14.866 -11.261 -3.381 1.00 5.69 C ATOM 963 CG PRO A 63 -16.210 -11.899 -3.315 1.00 5.34 C ATOM 964 CD PRO A 63 -17.229 -10.802 -3.494 1.00 4.58 C ATOM 0 HA PRO A 63 -14.369 -9.218 -4.047 1.00 5.20 H new ATOM 0 HB2 PRO A 63 -14.126 -11.942 -3.801 1.00 5.69 H new ATOM 0 HB3 PRO A 63 -14.513 -10.980 -2.389 1.00 5.69 H new ATOM 0 HG2 PRO A 63 -16.317 -12.655 -4.093 1.00 5.34 H new ATOM 0 HG3 PRO A 63 -16.351 -12.404 -2.359 1.00 5.34 H new ATOM 0 HD2 PRO A 63 -18.023 -11.103 -4.178 1.00 4.58 H new ATOM 0 HD3 PRO A 63 -17.705 -10.541 -2.548 1.00 4.58 H new ATOM 972 N GLY A 64 -13.724 -9.875 -6.280 1.00 5.49 N ATOM 973 CA GLY A 64 -13.378 -10.181 -7.644 1.00 6.04 C ATOM 974 C GLY A 64 -12.559 -11.444 -7.746 1.00 5.99 C ATOM 975 O GLY A 64 -13.093 -12.508 -8.046 1.00 6.36 O ATOM 0 H GLY A 64 -13.078 -9.245 -5.804 1.00 5.49 H new ATOM 0 HA2 GLY A 64 -14.288 -10.290 -8.234 1.00 6.04 H new ATOM 0 HA3 GLY A 64 -12.818 -9.349 -8.072 1.00 6.04 H new ATOM 979 N HIS A 65 -11.268 -11.328 -7.476 1.00 5.85 N ATOM 980 CA HIS A 65 -10.339 -12.448 -7.618 1.00 6.04 C ATOM 981 C HIS A 65 -10.585 -13.545 -6.587 1.00 5.42 C ATOM 982 O HIS A 65 -9.907 -13.617 -5.558 1.00 5.51 O ATOM 983 CB HIS A 65 -8.889 -11.963 -7.539 1.00 6.53 C ATOM 984 CG HIS A 65 -8.383 -11.385 -8.826 1.00 7.30 C ATOM 985 ND1 HIS A 65 -8.723 -10.131 -9.276 1.00 8.05 N ATOM 986 CD2 HIS A 65 -7.562 -11.907 -9.764 1.00 7.71 C ATOM 987 CE1 HIS A 65 -8.134 -9.903 -10.433 1.00 8.78 C ATOM 988 NE2 HIS A 65 -7.420 -10.965 -10.753 1.00 8.61 N ATOM 0 H HIS A 65 -10.833 -10.463 -7.154 1.00 5.85 H new ATOM 0 HA HIS A 65 -10.518 -12.882 -8.602 1.00 6.04 H new ATOM 0 HB2 HIS A 65 -8.808 -11.210 -6.755 1.00 6.53 H new ATOM 0 HB3 HIS A 65 -8.250 -12.797 -7.248 1.00 6.53 H new ATOM 0 HD1 HIS A 65 -9.337 -9.478 -8.789 1.00 8.05 H new ATOM 0 HD2 HIS A 65 -7.103 -12.884 -9.740 1.00 7.71 H new ATOM 0 HE1 HIS A 65 -8.221 -9.000 -11.019 1.00 8.78 H new ATOM 997 N GLU A 66 -11.577 -14.378 -6.881 1.00 5.13 N ATOM 998 CA GLU A 66 -11.858 -15.609 -6.145 1.00 4.83 C ATOM 999 C GLU A 66 -12.493 -15.352 -4.776 1.00 4.30 C ATOM 1000 O GLU A 66 -13.632 -15.759 -4.540 1.00 4.72 O ATOM 1001 CB GLU A 66 -10.593 -16.460 -6.003 1.00 5.31 C ATOM 1002 CG GLU A 66 -10.858 -17.849 -5.461 1.00 5.97 C ATOM 1003 CD GLU A 66 -9.614 -18.704 -5.420 1.00 6.59 C ATOM 1004 OE1 GLU A 66 -9.144 -19.130 -6.494 1.00 7.05 O ATOM 1005 OE2 GLU A 66 -9.107 -18.970 -4.307 1.00 6.87 O ATOM 0 H GLU A 66 -12.223 -14.215 -7.653 1.00 5.13 H new ATOM 0 HA GLU A 66 -12.592 -16.161 -6.732 1.00 4.83 H new ATOM 0 HB2 GLU A 66 -10.110 -16.544 -6.977 1.00 5.31 H new ATOM 0 HB3 GLU A 66 -9.893 -15.948 -5.343 1.00 5.31 H new ATOM 0 HG2 GLU A 66 -11.273 -17.770 -4.456 1.00 5.97 H new ATOM 0 HG3 GLU A 66 -11.611 -18.339 -6.079 1.00 5.97 H new ATOM 1012 N ALA A 67 -11.757 -14.683 -3.893 1.00 3.82 N ATOM 1013 CA ALA A 67 -12.181 -14.450 -2.521 1.00 3.70 C ATOM 1014 C ALA A 67 -11.045 -13.840 -1.726 1.00 2.58 C ATOM 1015 O ALA A 67 -9.924 -14.344 -1.741 1.00 2.95 O ATOM 1016 CB ALA A 67 -12.621 -15.745 -1.847 1.00 4.55 C ATOM 0 H ALA A 67 -10.844 -14.286 -4.114 1.00 3.82 H new ATOM 0 HA ALA A 67 -13.029 -13.766 -2.548 1.00 3.70 H new ATOM 0 HB1 ALA A 67 -12.931 -15.535 -0.823 1.00 4.55 H new ATOM 0 HB2 ALA A 67 -13.456 -16.176 -2.398 1.00 4.55 H new ATOM 0 HB3 ALA A 67 -11.790 -16.450 -1.837 1.00 4.55 H new ATOM 1022 N PHE A 68 -11.318 -12.726 -1.084 1.00 1.79 N ATOM 1023 CA PHE A 68 -10.415 -12.198 -0.072 1.00 1.15 C ATOM 1024 C PHE A 68 -10.748 -12.803 1.290 1.00 1.77 C ATOM 1025 O PHE A 68 -11.609 -13.676 1.392 1.00 2.37 O ATOM 1026 CB PHE A 68 -10.480 -10.669 -0.011 1.00 1.18 C ATOM 1027 CG PHE A 68 -9.832 -9.990 -1.184 1.00 1.12 C ATOM 1028 CD1 PHE A 68 -8.493 -10.202 -1.467 1.00 1.08 C ATOM 1029 CD2 PHE A 68 -10.566 -9.151 -2.018 1.00 1.67 C ATOM 1030 CE1 PHE A 68 -7.895 -9.592 -2.551 1.00 1.52 C ATOM 1031 CE2 PHE A 68 -9.972 -8.542 -3.104 1.00 2.10 C ATOM 1032 CZ PHE A 68 -8.635 -8.700 -3.336 1.00 2.00 C ATOM 0 H PHE A 68 -12.155 -12.165 -1.241 1.00 1.79 H new ATOM 0 HA PHE A 68 -9.397 -12.475 -0.345 1.00 1.15 H new ATOM 0 HB2 PHE A 68 -11.524 -10.360 0.045 1.00 1.18 H new ATOM 0 HB3 PHE A 68 -9.998 -10.330 0.906 1.00 1.18 H new ATOM 0 HD1 PHE A 68 -7.910 -10.852 -0.832 1.00 1.08 H new ATOM 0 HD2 PHE A 68 -11.612 -8.975 -1.813 1.00 1.67 H new ATOM 0 HE1 PHE A 68 -6.863 -9.801 -2.792 1.00 1.52 H new ATOM 0 HE2 PHE A 68 -10.566 -7.938 -3.773 1.00 2.10 H new ATOM 0 HZ PHE A 68 -8.151 -8.139 -4.122 1.00 2.00 H new ATOM 1042 N THR A 69 -10.076 -12.325 2.328 1.00 2.35 N ATOM 1043 CA THR A 69 -10.183 -12.905 3.662 1.00 3.31 C ATOM 1044 C THR A 69 -11.616 -12.902 4.197 1.00 3.54 C ATOM 1045 O THR A 69 -12.201 -13.961 4.428 1.00 3.89 O ATOM 1046 CB THR A 69 -9.257 -12.157 4.636 1.00 4.11 C ATOM 1047 OG1 THR A 69 -9.275 -10.752 4.334 1.00 4.46 O ATOM 1048 CG2 THR A 69 -7.833 -12.685 4.543 1.00 4.90 C ATOM 0 H THR A 69 -9.443 -11.527 2.271 1.00 2.35 H new ATOM 0 HA THR A 69 -9.875 -13.948 3.581 1.00 3.31 H new ATOM 0 HB THR A 69 -9.618 -12.319 5.652 1.00 4.11 H new ATOM 0 HG1 THR A 69 -8.686 -10.276 4.956 1.00 4.46 H new ATOM 0 HG21 THR A 69 -7.197 -12.141 5.241 1.00 4.90 H new ATOM 0 HG22 THR A 69 -7.821 -13.746 4.793 1.00 4.90 H new ATOM 0 HG23 THR A 69 -7.459 -12.547 3.528 1.00 4.90 H new ATOM 1056 N THR A 70 -12.189 -11.722 4.374 1.00 3.82 N ATOM 1057 CA THR A 70 -13.520 -11.598 4.953 1.00 4.35 C ATOM 1058 C THR A 70 -14.614 -11.684 3.889 1.00 4.41 C ATOM 1059 O THR A 70 -15.601 -10.949 3.941 1.00 4.95 O ATOM 1060 CB THR A 70 -13.656 -10.273 5.724 1.00 5.16 C ATOM 1061 OG1 THR A 70 -13.134 -9.190 4.942 1.00 5.40 O ATOM 1062 CG2 THR A 70 -12.921 -10.336 7.053 1.00 5.84 C ATOM 0 H THR A 70 -11.753 -10.834 4.125 1.00 3.82 H new ATOM 0 HA THR A 70 -13.647 -12.434 5.641 1.00 4.35 H new ATOM 0 HB THR A 70 -14.715 -10.106 5.919 1.00 5.16 H new ATOM 0 HG1 THR A 70 -13.227 -8.352 5.441 1.00 5.40 H new ATOM 0 HG21 THR A 70 -13.034 -9.387 7.577 1.00 5.84 H new ATOM 0 HG22 THR A 70 -13.338 -11.138 7.662 1.00 5.84 H new ATOM 0 HG23 THR A 70 -11.863 -10.529 6.875 1.00 5.84 H new ATOM 1070 N MET A 71 -14.446 -12.591 2.930 1.00 4.19 N ATOM 1071 CA MET A 71 -15.392 -12.716 1.829 1.00 4.50 C ATOM 1072 C MET A 71 -15.721 -14.175 1.528 1.00 4.86 C ATOM 1073 O MET A 71 -14.838 -14.976 1.229 1.00 5.21 O ATOM 1074 CB MET A 71 -14.832 -12.037 0.578 1.00 4.42 C ATOM 1075 CG MET A 71 -14.816 -10.523 0.669 1.00 4.38 C ATOM 1076 SD MET A 71 -13.926 -9.755 -0.691 1.00 4.69 S ATOM 1077 CE MET A 71 -14.355 -8.033 -0.444 1.00 4.34 C ATOM 0 H MET A 71 -13.666 -13.247 2.894 1.00 4.19 H new ATOM 0 HA MET A 71 -16.317 -12.223 2.129 1.00 4.50 H new ATOM 0 HB2 MET A 71 -13.817 -12.394 0.404 1.00 4.42 H new ATOM 0 HB3 MET A 71 -15.427 -12.335 -0.285 1.00 4.42 H new ATOM 0 HG2 MET A 71 -15.841 -10.153 0.682 1.00 4.38 H new ATOM 0 HG3 MET A 71 -14.358 -10.225 1.612 1.00 4.38 H new ATOM 0 HE1 MET A 71 -14.013 -7.447 -1.297 1.00 4.34 H new ATOM 0 HE2 MET A 71 -15.437 -7.938 -0.349 1.00 4.34 H new ATOM 0 HE3 MET A 71 -13.877 -7.666 0.464 1.00 4.34 H new ATOM 1087 N ARG A 72 -17.003 -14.509 1.622 1.00 5.04 N ATOM 1088 CA ARG A 72 -17.495 -15.843 1.288 1.00 5.54 C ATOM 1089 C ARG A 72 -18.618 -15.737 0.263 1.00 5.80 C ATOM 1090 O ARG A 72 -19.521 -16.572 0.223 1.00 6.36 O ATOM 1091 CB ARG A 72 -18.032 -16.551 2.534 1.00 5.95 C ATOM 1092 CG ARG A 72 -17.026 -16.692 3.659 1.00 6.36 C ATOM 1093 CD ARG A 72 -17.617 -17.472 4.822 1.00 6.73 C ATOM 1094 NE ARG A 72 -18.833 -16.844 5.349 1.00 7.09 N ATOM 1095 CZ ARG A 72 -19.755 -17.490 6.067 1.00 7.63 C ATOM 1096 NH1 ARG A 72 -19.659 -18.800 6.246 1.00 7.86 N ATOM 1097 NH2 ARG A 72 -20.795 -16.830 6.566 1.00 8.21 N ATOM 0 H ARG A 72 -17.731 -13.865 1.931 1.00 5.04 H new ATOM 0 HA ARG A 72 -16.665 -16.418 0.878 1.00 5.54 H new ATOM 0 HB2 ARG A 72 -18.897 -16.001 2.904 1.00 5.95 H new ATOM 0 HB3 ARG A 72 -18.382 -17.543 2.250 1.00 5.95 H new ATOM 0 HG2 ARG A 72 -16.133 -17.199 3.292 1.00 6.36 H new ATOM 0 HG3 ARG A 72 -16.715 -15.704 3.999 1.00 6.36 H new ATOM 0 HD2 ARG A 72 -17.846 -18.487 4.498 1.00 6.73 H new ATOM 0 HD3 ARG A 72 -16.877 -17.551 5.618 1.00 6.73 H new ATOM 0 HE ARG A 72 -18.984 -15.854 5.155 1.00 7.09 H new ATOM 0 HH11 ARG A 72 -18.880 -19.315 5.835 1.00 7.86 H new ATOM 0 HH12 ARG A 72 -20.364 -19.293 6.795 1.00 7.86 H new ATOM 0 HH21 ARG A 72 -20.890 -15.828 6.401 1.00 8.21 H new ATOM 0 HH22 ARG A 72 -21.498 -17.325 7.114 1.00 8.21 H new ATOM 1111 N ALA A 73 -18.566 -14.699 -0.556 1.00 5.58 N ATOM 1112 CA ALA A 73 -19.675 -14.381 -1.441 1.00 6.01 C ATOM 1113 C ALA A 73 -19.541 -15.067 -2.797 1.00 5.86 C ATOM 1114 O ALA A 73 -20.216 -16.061 -3.063 1.00 6.36 O ATOM 1115 CB ALA A 73 -19.794 -12.874 -1.609 1.00 6.36 C ATOM 0 H ALA A 73 -17.771 -14.064 -0.627 1.00 5.58 H new ATOM 0 HA ALA A 73 -20.586 -14.762 -0.980 1.00 6.01 H new ATOM 0 HB1 ALA A 73 -20.628 -12.647 -2.274 1.00 6.36 H new ATOM 0 HB2 ALA A 73 -19.968 -12.412 -0.637 1.00 6.36 H new ATOM 0 HB3 ALA A 73 -18.871 -12.482 -2.037 1.00 6.36 H new ATOM 1121 N ARG A 74 -18.659 -14.547 -3.644 1.00 5.40 N ATOM 1122 CA ARG A 74 -18.556 -15.011 -5.026 1.00 5.50 C ATOM 1123 C ARG A 74 -17.109 -15.028 -5.498 1.00 5.18 C ATOM 1124 O ARG A 74 -16.200 -14.692 -4.742 1.00 5.49 O ATOM 1125 CB ARG A 74 -19.387 -14.112 -5.950 1.00 6.12 C ATOM 1126 CG ARG A 74 -20.885 -14.274 -5.771 1.00 6.76 C ATOM 1127 CD ARG A 74 -21.666 -13.331 -6.669 1.00 7.55 C ATOM 1128 NE ARG A 74 -21.548 -11.934 -6.249 1.00 8.14 N ATOM 1129 CZ ARG A 74 -22.563 -11.073 -6.259 1.00 8.93 C ATOM 1130 NH1 ARG A 74 -23.774 -11.492 -6.597 1.00 9.21 N ATOM 1131 NH2 ARG A 74 -22.374 -9.807 -5.909 1.00 9.65 N ATOM 0 H ARG A 74 -18.004 -13.804 -3.399 1.00 5.40 H new ATOM 0 HA ARG A 74 -18.942 -16.030 -5.064 1.00 5.50 H new ATOM 0 HB2 ARG A 74 -19.118 -13.071 -5.768 1.00 6.12 H new ATOM 0 HB3 ARG A 74 -19.128 -14.332 -6.986 1.00 6.12 H new ATOM 0 HG2 ARG A 74 -21.168 -15.303 -5.991 1.00 6.76 H new ATOM 0 HG3 ARG A 74 -21.149 -14.087 -4.730 1.00 6.76 H new ATOM 0 HD2 ARG A 74 -21.309 -13.431 -7.694 1.00 7.55 H new ATOM 0 HD3 ARG A 74 -22.717 -13.620 -6.668 1.00 7.55 H new ATOM 0 HE ARG A 74 -20.638 -11.602 -5.931 1.00 8.14 H new ATOM 0 HH11 ARG A 74 -23.924 -12.469 -6.847 1.00 9.21 H new ATOM 0 HH12 ARG A 74 -24.556 -10.837 -6.607 1.00 9.21 H new ATOM 0 HH21 ARG A 74 -21.446 -9.488 -5.630 1.00 9.65 H new ATOM 0 HH22 ARG A 74 -23.157 -9.153 -5.919 1.00 9.65 H new ATOM 1145 N GLY A 75 -16.908 -15.431 -6.747 1.00 4.93 N ATOM 1146 CA GLY A 75 -15.583 -15.433 -7.334 1.00 4.87 C ATOM 1147 C GLY A 75 -15.627 -15.121 -8.819 1.00 4.49 C ATOM 1148 O GLY A 75 -16.121 -15.922 -9.611 1.00 4.54 O ATOM 0 H GLY A 75 -17.647 -15.759 -7.368 1.00 4.93 H new ATOM 0 HA2 GLY A 75 -14.959 -14.698 -6.826 1.00 4.87 H new ATOM 0 HA3 GLY A 75 -15.118 -16.407 -7.180 1.00 4.87 H new ATOM 1152 N ALA A 76 -15.103 -13.964 -9.195 1.00 4.53 N ATOM 1153 CA ALA A 76 -15.157 -13.499 -10.577 1.00 4.52 C ATOM 1154 C ALA A 76 -13.780 -13.012 -11.031 1.00 3.91 C ATOM 1155 O ALA A 76 -12.753 -13.465 -10.526 1.00 4.15 O ATOM 1156 CB ALA A 76 -16.191 -12.384 -10.700 1.00 5.47 C ATOM 0 H ALA A 76 -14.631 -13.323 -8.557 1.00 4.53 H new ATOM 0 HA ALA A 76 -15.451 -14.327 -11.222 1.00 4.52 H new ATOM 0 HB1 ALA A 76 -16.231 -12.037 -11.733 1.00 5.47 H new ATOM 0 HB2 ALA A 76 -17.170 -12.762 -10.406 1.00 5.47 H new ATOM 0 HB3 ALA A 76 -15.912 -11.555 -10.049 1.00 5.47 H new ATOM 1162 N GLN A 77 -13.764 -12.105 -12.002 1.00 3.61 N ATOM 1163 CA GLN A 77 -12.521 -11.539 -12.516 1.00 3.40 C ATOM 1164 C GLN A 77 -12.622 -10.016 -12.578 1.00 2.90 C ATOM 1165 O GLN A 77 -12.304 -9.392 -13.591 1.00 3.33 O ATOM 1166 CB GLN A 77 -12.204 -12.109 -13.902 1.00 4.25 C ATOM 1167 CG GLN A 77 -11.891 -13.597 -13.889 1.00 4.87 C ATOM 1168 CD GLN A 77 -11.716 -14.178 -15.280 1.00 5.70 C ATOM 1169 OE1 GLN A 77 -11.255 -13.359 -16.212 1.00 6.14 O flip ATOM 1170 NE2 GLN A 77 -11.991 -15.354 -15.508 1.00 6.26 N flip ATOM 0 H GLN A 77 -14.605 -11.743 -12.452 1.00 3.61 H new ATOM 0 HA GLN A 77 -11.710 -11.809 -11.839 1.00 3.40 H new ATOM 0 HB2 GLN A 77 -13.052 -11.930 -14.562 1.00 4.25 H new ATOM 0 HB3 GLN A 77 -11.354 -11.571 -14.322 1.00 4.25 H new ATOM 0 HG2 GLN A 77 -10.981 -13.766 -13.313 1.00 4.87 H new ATOM 0 HG3 GLN A 77 -12.695 -14.127 -13.378 1.00 4.87 H new ATOM 0 HE21 GLN A 77 -12.344 -15.950 -14.759 1.00 6.26 H new ATOM 0 HE22 GLN A 77 -11.866 -15.734 -16.446 1.00 6.26 H new ATOM 1179 N VAL A 78 -13.086 -9.434 -11.481 1.00 2.65 N ATOM 1180 CA VAL A 78 -13.268 -7.991 -11.383 1.00 2.75 C ATOM 1181 C VAL A 78 -11.942 -7.322 -11.023 1.00 2.21 C ATOM 1182 O VAL A 78 -11.032 -7.972 -10.507 1.00 2.72 O ATOM 1183 CB VAL A 78 -14.333 -7.649 -10.314 1.00 3.65 C ATOM 1184 CG1 VAL A 78 -14.710 -6.173 -10.356 1.00 4.31 C ATOM 1185 CG2 VAL A 78 -15.570 -8.518 -10.492 1.00 4.21 C ATOM 0 H VAL A 78 -13.346 -9.945 -10.637 1.00 2.65 H new ATOM 0 HA VAL A 78 -13.610 -7.619 -12.349 1.00 2.75 H new ATOM 0 HB VAL A 78 -13.898 -7.856 -9.336 1.00 3.65 H new ATOM 0 HG11 VAL A 78 -15.460 -5.967 -9.592 1.00 4.31 H new ATOM 0 HG12 VAL A 78 -13.825 -5.566 -10.168 1.00 4.31 H new ATOM 0 HG13 VAL A 78 -15.115 -5.929 -11.338 1.00 4.31 H new ATOM 0 HG21 VAL A 78 -16.307 -8.262 -9.731 1.00 4.21 H new ATOM 0 HG22 VAL A 78 -15.995 -8.347 -11.481 1.00 4.21 H new ATOM 0 HG23 VAL A 78 -15.295 -9.568 -10.392 1.00 4.21 H new ATOM 1195 N THR A 79 -11.826 -6.037 -11.327 1.00 1.82 N ATOM 1196 CA THR A 79 -10.642 -5.272 -10.982 1.00 1.90 C ATOM 1197 C THR A 79 -10.656 -4.930 -9.494 1.00 1.53 C ATOM 1198 O THR A 79 -11.121 -3.862 -9.096 1.00 1.82 O ATOM 1199 CB THR A 79 -10.571 -3.970 -11.797 1.00 2.70 C ATOM 1200 OG1 THR A 79 -10.915 -4.228 -13.167 1.00 3.20 O ATOM 1201 CG2 THR A 79 -9.179 -3.359 -11.727 1.00 3.41 C ATOM 0 H THR A 79 -12.544 -5.502 -11.815 1.00 1.82 H new ATOM 0 HA THR A 79 -9.769 -5.882 -11.214 1.00 1.90 H new ATOM 0 HB THR A 79 -11.282 -3.263 -11.369 1.00 2.70 H new ATOM 0 HG1 THR A 79 -10.467 -3.576 -13.745 1.00 3.20 H new ATOM 0 HG21 THR A 79 -9.156 -2.439 -12.312 1.00 3.41 H new ATOM 0 HG22 THR A 79 -8.931 -3.136 -10.689 1.00 3.41 H new ATOM 0 HG23 THR A 79 -8.452 -4.064 -12.130 1.00 3.41 H new ATOM 1209 N ASP A 80 -10.181 -5.865 -8.681 1.00 1.21 N ATOM 1210 CA ASP A 80 -10.142 -5.679 -7.234 1.00 1.14 C ATOM 1211 C ASP A 80 -9.224 -4.539 -6.852 1.00 0.88 C ATOM 1212 O ASP A 80 -8.184 -4.322 -7.471 1.00 1.12 O ATOM 1213 CB ASP A 80 -9.662 -6.943 -6.526 1.00 1.60 C ATOM 1214 CG ASP A 80 -10.560 -8.129 -6.764 1.00 2.14 C ATOM 1215 OD1 ASP A 80 -10.321 -8.860 -7.746 1.00 2.60 O ATOM 1216 OD2 ASP A 80 -11.493 -8.345 -5.972 1.00 2.66 O ATOM 0 H ASP A 80 -9.816 -6.763 -8.999 1.00 1.21 H new ATOM 0 HA ASP A 80 -11.160 -5.449 -6.921 1.00 1.14 H new ATOM 0 HB2 ASP A 80 -8.655 -7.183 -6.866 1.00 1.60 H new ATOM 0 HB3 ASP A 80 -9.599 -6.751 -5.455 1.00 1.60 H new ATOM 1221 N ILE A 81 -9.627 -3.816 -5.827 1.00 0.63 N ATOM 1222 CA ILE A 81 -8.806 -2.776 -5.242 1.00 0.42 C ATOM 1223 C ILE A 81 -8.856 -2.915 -3.733 1.00 0.38 C ATOM 1224 O ILE A 81 -9.935 -2.838 -3.142 1.00 0.57 O ATOM 1225 CB ILE A 81 -9.296 -1.364 -5.623 1.00 0.42 C ATOM 1226 CG1 ILE A 81 -9.466 -1.238 -7.140 1.00 0.56 C ATOM 1227 CG2 ILE A 81 -8.311 -0.320 -5.117 1.00 0.50 C ATOM 1228 CD1 ILE A 81 -10.149 0.041 -7.567 1.00 0.71 C ATOM 0 H ILE A 81 -10.534 -3.933 -5.376 1.00 0.63 H new ATOM 0 HA ILE A 81 -7.791 -2.893 -5.623 1.00 0.42 H new ATOM 0 HB ILE A 81 -10.267 -1.197 -5.156 1.00 0.42 H new ATOM 0 HG12 ILE A 81 -8.485 -1.292 -7.613 1.00 0.56 H new ATOM 0 HG13 ILE A 81 -10.043 -2.088 -7.505 1.00 0.56 H new ATOM 0 HG21 ILE A 81 -8.663 0.675 -5.390 1.00 0.50 H new ATOM 0 HG22 ILE A 81 -8.230 -0.392 -4.032 1.00 0.50 H new ATOM 0 HG23 ILE A 81 -7.333 -0.494 -5.566 1.00 0.50 H new ATOM 0 HD11 ILE A 81 -10.235 0.062 -8.653 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -11.143 0.088 -7.123 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -9.561 0.896 -7.233 1.00 0.71 H new ATOM 1240 N VAL A 82 -7.718 -3.152 -3.112 1.00 0.27 N ATOM 1241 CA VAL A 82 -7.693 -3.314 -1.668 1.00 0.28 C ATOM 1242 C VAL A 82 -6.912 -2.187 -1.009 1.00 0.23 C ATOM 1243 O VAL A 82 -5.847 -1.783 -1.476 1.00 0.26 O ATOM 1244 CB VAL A 82 -7.095 -4.669 -1.237 1.00 0.35 C ATOM 1245 CG1 VAL A 82 -5.660 -4.774 -1.691 1.00 1.02 C ATOM 1246 CG2 VAL A 82 -7.187 -4.843 0.274 1.00 1.17 C ATOM 0 H VAL A 82 -6.812 -3.236 -3.573 1.00 0.27 H new ATOM 0 HA VAL A 82 -8.731 -3.283 -1.338 1.00 0.28 H new ATOM 0 HB VAL A 82 -7.671 -5.465 -1.708 1.00 0.35 H new ATOM 0 HG11 VAL A 82 -5.250 -5.735 -1.381 1.00 1.02 H new ATOM 0 HG12 VAL A 82 -5.615 -4.694 -2.777 1.00 1.02 H new ATOM 0 HG13 VAL A 82 -5.077 -3.969 -1.244 1.00 1.02 H new ATOM 0 HG21 VAL A 82 -6.760 -5.805 0.556 1.00 1.17 H new ATOM 0 HG22 VAL A 82 -6.635 -4.042 0.767 1.00 1.17 H new ATOM 0 HG23 VAL A 82 -8.232 -4.806 0.582 1.00 1.17 H new ATOM 1256 N ILE A 83 -7.476 -1.674 0.055 1.00 0.22 N ATOM 1257 CA ILE A 83 -6.815 -0.706 0.886 1.00 0.19 C ATOM 1258 C ILE A 83 -6.060 -1.403 1.980 1.00 0.19 C ATOM 1259 O ILE A 83 -6.603 -2.246 2.690 1.00 0.24 O ATOM 1260 CB ILE A 83 -7.800 0.301 1.501 1.00 0.22 C ATOM 1261 CG1 ILE A 83 -8.344 1.173 0.390 1.00 0.27 C ATOM 1262 CG2 ILE A 83 -7.123 1.142 2.582 1.00 0.24 C ATOM 1263 CD1 ILE A 83 -9.185 2.339 0.865 1.00 0.37 C ATOM 0 H ILE A 83 -8.415 -1.920 0.370 1.00 0.22 H new ATOM 0 HA ILE A 83 -6.126 -0.149 0.251 1.00 0.19 H new ATOM 0 HB ILE A 83 -8.619 -0.232 1.983 1.00 0.22 H new ATOM 0 HG12 ILE A 83 -7.509 1.558 -0.195 1.00 0.27 H new ATOM 0 HG13 ILE A 83 -8.945 0.556 -0.279 1.00 0.27 H new ATOM 0 HG21 ILE A 83 -7.843 1.846 3.000 1.00 0.24 H new ATOM 0 HG22 ILE A 83 -6.753 0.489 3.373 1.00 0.24 H new ATOM 0 HG23 ILE A 83 -6.289 1.692 2.146 1.00 0.24 H new ATOM 0 HD11 ILE A 83 -9.534 2.910 0.005 1.00 0.37 H new ATOM 0 HD12 ILE A 83 -10.043 1.965 1.424 1.00 0.37 H new ATOM 0 HD13 ILE A 83 -8.585 2.982 1.509 1.00 0.37 H new ATOM 1275 N LEU A 84 -4.810 -1.051 2.109 1.00 0.19 N ATOM 1276 CA LEU A 84 -3.969 -1.655 3.092 1.00 0.23 C ATOM 1277 C LEU A 84 -3.572 -0.587 4.107 1.00 0.24 C ATOM 1278 O LEU A 84 -2.791 0.316 3.806 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.763 -2.309 2.396 1.00 0.39 C ATOM 1280 CG LEU A 84 -1.703 -2.940 3.301 1.00 0.31 C ATOM 1281 CD1 LEU A 84 -0.761 -1.872 3.803 1.00 0.91 C ATOM 1282 CD2 LEU A 84 -2.341 -3.685 4.466 1.00 1.01 C ATOM 0 H LEU A 84 -4.353 -0.341 1.537 1.00 0.19 H new ATOM 0 HA LEU A 84 -4.486 -2.448 3.633 1.00 0.23 H new ATOM 0 HB2 LEU A 84 -3.137 -3.080 1.722 1.00 0.39 H new ATOM 0 HB3 LEU A 84 -2.277 -1.554 1.778 1.00 0.39 H new ATOM 0 HG LEU A 84 -1.140 -3.668 2.717 1.00 0.31 H new ATOM 0 HD11 LEU A 84 -0.007 -2.325 4.447 1.00 0.91 H new ATOM 0 HD12 LEU A 84 -0.272 -1.391 2.956 1.00 0.91 H new ATOM 0 HD13 LEU A 84 -1.322 -1.128 4.369 1.00 0.91 H new ATOM 0 HD21 LEU A 84 -1.561 -4.122 5.090 1.00 1.01 H new ATOM 0 HD22 LEU A 84 -2.935 -2.991 5.060 1.00 1.01 H new ATOM 0 HD23 LEU A 84 -2.985 -4.477 4.083 1.00 1.01 H new ATOM 1294 N VAL A 85 -4.153 -0.674 5.290 1.00 0.21 N ATOM 1295 CA VAL A 85 -3.930 0.298 6.336 1.00 0.27 C ATOM 1296 C VAL A 85 -2.696 -0.056 7.156 1.00 0.25 C ATOM 1297 O VAL A 85 -2.687 -1.044 7.895 1.00 0.29 O ATOM 1298 CB VAL A 85 -5.155 0.387 7.266 1.00 0.34 C ATOM 1299 CG1 VAL A 85 -4.896 1.356 8.397 1.00 0.43 C ATOM 1300 CG2 VAL A 85 -6.394 0.801 6.486 1.00 0.40 C ATOM 0 H VAL A 85 -4.794 -1.424 5.549 1.00 0.21 H new ATOM 0 HA VAL A 85 -3.771 1.265 5.859 1.00 0.27 H new ATOM 0 HB VAL A 85 -5.331 -0.601 7.691 1.00 0.34 H new ATOM 0 HG11 VAL A 85 -5.773 1.405 9.042 1.00 0.43 H new ATOM 0 HG12 VAL A 85 -4.037 1.018 8.977 1.00 0.43 H new ATOM 0 HG13 VAL A 85 -4.691 2.346 7.989 1.00 0.43 H new ATOM 0 HG21 VAL A 85 -7.247 0.858 7.162 1.00 0.40 H new ATOM 0 HG22 VAL A 85 -6.227 1.777 6.029 1.00 0.40 H new ATOM 0 HG23 VAL A 85 -6.596 0.066 5.707 1.00 0.40 H new ATOM 1310 N VAL A 86 -1.647 0.732 6.986 1.00 0.22 N ATOM 1311 CA VAL A 86 -0.454 0.606 7.796 1.00 0.20 C ATOM 1312 C VAL A 86 -0.182 1.892 8.551 1.00 0.17 C ATOM 1313 O VAL A 86 -0.050 2.959 7.958 1.00 0.22 O ATOM 1314 CB VAL A 86 0.784 0.249 6.953 1.00 0.23 C ATOM 1315 CG1 VAL A 86 0.829 -1.243 6.688 1.00 0.49 C ATOM 1316 CG2 VAL A 86 0.804 1.031 5.648 1.00 0.64 C ATOM 0 H VAL A 86 -1.601 1.472 6.286 1.00 0.22 H new ATOM 0 HA VAL A 86 -0.638 -0.206 8.499 1.00 0.20 H new ATOM 0 HB VAL A 86 1.673 0.527 7.519 1.00 0.23 H new ATOM 0 HG11 VAL A 86 1.710 -1.480 6.091 1.00 0.49 H new ATOM 0 HG12 VAL A 86 0.878 -1.780 7.636 1.00 0.49 H new ATOM 0 HG13 VAL A 86 -0.068 -1.544 6.147 1.00 0.49 H new ATOM 0 HG21 VAL A 86 1.689 0.758 5.074 1.00 0.64 H new ATOM 0 HG22 VAL A 86 -0.090 0.797 5.070 1.00 0.64 H new ATOM 0 HG23 VAL A 86 0.827 2.099 5.864 1.00 0.64 H new ATOM 1326 N ALA A 87 -0.118 1.790 9.863 1.00 0.17 N ATOM 1327 CA ALA A 87 0.218 2.929 10.693 1.00 0.18 C ATOM 1328 C ALA A 87 1.683 3.288 10.490 1.00 0.16 C ATOM 1329 O ALA A 87 2.550 2.422 10.564 1.00 0.24 O ATOM 1330 CB ALA A 87 -0.073 2.622 12.150 1.00 0.28 C ATOM 0 H ALA A 87 -0.295 0.928 10.379 1.00 0.17 H new ATOM 0 HA ALA A 87 -0.394 3.784 10.404 1.00 0.18 H new ATOM 0 HB1 ALA A 87 0.184 3.486 12.762 1.00 0.28 H new ATOM 0 HB2 ALA A 87 -1.132 2.395 12.269 1.00 0.28 H new ATOM 0 HB3 ALA A 87 0.520 1.764 12.466 1.00 0.28 H new ATOM 1336 N ALA A 88 1.955 4.562 10.235 1.00 0.12 N ATOM 1337 CA ALA A 88 3.297 4.999 9.866 1.00 0.14 C ATOM 1338 C ALA A 88 4.255 4.883 11.026 1.00 0.16 C ATOM 1339 O ALA A 88 5.469 4.953 10.851 1.00 0.22 O ATOM 1340 CB ALA A 88 3.274 6.432 9.375 1.00 0.17 C ATOM 0 H ALA A 88 1.264 5.311 10.277 1.00 0.12 H new ATOM 0 HA ALA A 88 3.642 4.345 9.065 1.00 0.14 H new ATOM 0 HB1 ALA A 88 4.284 6.740 9.104 1.00 0.17 H new ATOM 0 HB2 ALA A 88 2.626 6.507 8.502 1.00 0.17 H new ATOM 0 HB3 ALA A 88 2.896 7.081 10.165 1.00 0.17 H new ATOM 1346 N ASP A 89 3.711 4.729 12.208 1.00 0.16 N ATOM 1347 CA ASP A 89 4.541 4.608 13.393 1.00 0.21 C ATOM 1348 C ASP A 89 4.926 3.153 13.662 1.00 0.22 C ATOM 1349 O ASP A 89 5.725 2.878 14.557 1.00 0.37 O ATOM 1350 CB ASP A 89 3.824 5.186 14.608 1.00 0.30 C ATOM 1351 CG ASP A 89 2.737 4.273 15.132 1.00 0.39 C ATOM 1352 OD1 ASP A 89 1.832 3.909 14.349 1.00 0.47 O ATOM 1353 OD2 ASP A 89 2.788 3.911 16.322 1.00 0.58 O ATOM 0 H ASP A 89 2.707 4.684 12.380 1.00 0.16 H new ATOM 0 HA ASP A 89 5.455 5.174 13.212 1.00 0.21 H new ATOM 0 HB2 ASP A 89 4.550 5.371 15.399 1.00 0.30 H new ATOM 0 HB3 ASP A 89 3.388 6.149 14.343 1.00 0.30 H new ATOM 1358 N ASP A 90 4.375 2.230 12.877 1.00 0.19 N ATOM 1359 CA ASP A 90 4.603 0.804 13.109 1.00 0.23 C ATOM 1360 C ASP A 90 4.958 0.073 11.808 1.00 0.25 C ATOM 1361 O ASP A 90 5.940 -0.667 11.754 1.00 0.42 O ATOM 1362 CB ASP A 90 3.370 0.187 13.765 1.00 0.26 C ATOM 1363 CG ASP A 90 3.639 -1.173 14.375 1.00 0.36 C ATOM 1364 OD1 ASP A 90 4.774 -1.416 14.834 1.00 0.56 O ATOM 1365 OD2 ASP A 90 2.700 -1.996 14.425 1.00 0.46 O ATOM 0 H ASP A 90 3.772 2.440 12.081 1.00 0.19 H new ATOM 0 HA ASP A 90 5.455 0.694 13.780 1.00 0.23 H new ATOM 0 HB2 ASP A 90 3.003 0.860 14.540 1.00 0.26 H new ATOM 0 HB3 ASP A 90 2.578 0.095 13.022 1.00 0.26 H new ATOM 1370 N GLY A 91 4.163 0.288 10.761 1.00 0.20 N ATOM 1371 CA GLY A 91 4.485 -0.255 9.448 1.00 0.21 C ATOM 1372 C GLY A 91 3.814 -1.583 9.163 1.00 0.22 C ATOM 1373 O GLY A 91 2.709 -1.841 9.619 1.00 0.37 O ATOM 0 H GLY A 91 3.299 0.830 10.798 1.00 0.20 H new ATOM 0 HA2 GLY A 91 4.190 0.464 8.684 1.00 0.21 H new ATOM 0 HA3 GLY A 91 5.565 -0.378 9.369 1.00 0.21 H new ATOM 1377 N VAL A 92 4.482 -2.419 8.385 1.00 0.26 N ATOM 1378 CA VAL A 92 3.965 -3.735 8.038 1.00 0.26 C ATOM 1379 C VAL A 92 4.276 -4.732 9.140 1.00 0.24 C ATOM 1380 O VAL A 92 5.404 -4.825 9.625 1.00 0.28 O ATOM 1381 CB VAL A 92 4.542 -4.218 6.698 1.00 0.32 C ATOM 1382 CG1 VAL A 92 4.316 -5.710 6.499 1.00 0.96 C ATOM 1383 CG2 VAL A 92 3.907 -3.444 5.562 1.00 1.03 C ATOM 0 H VAL A 92 5.393 -2.207 7.978 1.00 0.26 H new ATOM 0 HA VAL A 92 2.883 -3.657 7.931 1.00 0.26 H new ATOM 0 HB VAL A 92 5.618 -4.042 6.708 1.00 0.32 H new ATOM 0 HG11 VAL A 92 4.737 -6.017 5.541 1.00 0.96 H new ATOM 0 HG12 VAL A 92 4.803 -6.262 7.303 1.00 0.96 H new ATOM 0 HG13 VAL A 92 3.247 -5.921 6.510 1.00 0.96 H new ATOM 0 HG21 VAL A 92 4.318 -3.788 4.613 1.00 1.03 H new ATOM 0 HG22 VAL A 92 2.829 -3.604 5.570 1.00 1.03 H new ATOM 0 HG23 VAL A 92 4.117 -2.381 5.684 1.00 1.03 H new ATOM 1393 N MET A 93 3.254 -5.458 9.525 1.00 0.22 N ATOM 1394 CA MET A 93 3.312 -6.364 10.655 1.00 0.22 C ATOM 1395 C MET A 93 2.746 -7.725 10.247 1.00 0.22 C ATOM 1396 O MET A 93 2.292 -7.876 9.112 1.00 0.23 O ATOM 1397 CB MET A 93 2.507 -5.746 11.797 1.00 0.21 C ATOM 1398 CG MET A 93 3.037 -4.395 12.241 1.00 0.23 C ATOM 1399 SD MET A 93 4.553 -4.535 13.196 1.00 0.28 S ATOM 1400 CE MET A 93 3.872 -5.095 14.750 1.00 0.27 C ATOM 0 H MET A 93 2.347 -5.439 9.059 1.00 0.22 H new ATOM 0 HA MET A 93 4.340 -6.517 10.983 1.00 0.22 H new ATOM 0 HB2 MET A 93 1.469 -5.636 11.483 1.00 0.21 H new ATOM 0 HB3 MET A 93 2.512 -6.428 12.647 1.00 0.21 H new ATOM 0 HG2 MET A 93 3.219 -3.773 11.365 1.00 0.23 H new ATOM 0 HG3 MET A 93 2.279 -3.889 12.839 1.00 0.23 H new ATOM 0 HE1 MET A 93 4.234 -4.457 15.557 1.00 0.27 H new ATOM 0 HE2 MET A 93 2.784 -5.046 14.709 1.00 0.27 H new ATOM 0 HE3 MET A 93 4.183 -6.124 14.934 1.00 0.27 H new ATOM 1410 N PRO A 94 2.773 -8.729 11.149 1.00 0.25 N ATOM 1411 CA PRO A 94 2.274 -10.085 10.872 1.00 0.30 C ATOM 1412 C PRO A 94 0.998 -10.134 10.023 1.00 0.28 C ATOM 1413 O PRO A 94 1.032 -10.598 8.880 1.00 0.31 O ATOM 1414 CB PRO A 94 2.006 -10.627 12.267 1.00 0.37 C ATOM 1415 CG PRO A 94 3.047 -9.991 13.119 1.00 0.58 C ATOM 1416 CD PRO A 94 3.330 -8.641 12.515 1.00 0.30 C ATOM 0 HA PRO A 94 2.990 -10.656 10.281 1.00 0.30 H new ATOM 0 HB2 PRO A 94 1.003 -10.370 12.607 1.00 0.37 H new ATOM 0 HB3 PRO A 94 2.082 -11.714 12.292 1.00 0.37 H new ATOM 0 HG2 PRO A 94 2.698 -9.890 14.147 1.00 0.58 H new ATOM 0 HG3 PRO A 94 3.950 -10.600 13.147 1.00 0.58 H new ATOM 0 HD2 PRO A 94 2.857 -7.842 13.087 1.00 0.30 H new ATOM 0 HD3 PRO A 94 4.399 -8.430 12.496 1.00 0.30 H new ATOM 1424 N GLN A 95 -0.120 -9.643 10.564 1.00 0.29 N ATOM 1425 CA GLN A 95 -1.401 -9.768 9.880 1.00 0.32 C ATOM 1426 C GLN A 95 -1.501 -8.797 8.708 1.00 0.31 C ATOM 1427 O GLN A 95 -2.365 -8.934 7.838 1.00 0.37 O ATOM 1428 CB GLN A 95 -2.568 -9.555 10.849 1.00 0.37 C ATOM 1429 CG GLN A 95 -2.975 -8.104 11.040 1.00 0.45 C ATOM 1430 CD GLN A 95 -4.386 -7.968 11.588 1.00 0.50 C ATOM 1431 OE1 GLN A 95 -5.352 -7.951 10.827 1.00 0.75 O ATOM 1432 NE2 GLN A 95 -4.526 -7.843 12.902 1.00 0.34 N ATOM 0 H GLN A 95 -0.161 -9.162 11.462 1.00 0.29 H new ATOM 0 HA GLN A 95 -1.462 -10.783 9.487 1.00 0.32 H new ATOM 0 HB2 GLN A 95 -3.430 -10.116 10.488 1.00 0.37 H new ATOM 0 HB3 GLN A 95 -2.299 -9.974 11.819 1.00 0.37 H new ATOM 0 HG2 GLN A 95 -2.275 -7.619 11.721 1.00 0.45 H new ATOM 0 HG3 GLN A 95 -2.906 -7.581 10.086 1.00 0.45 H new ATOM 0 HE21 GLN A 95 -3.705 -7.861 13.506 1.00 0.34 H new ATOM 0 HE22 GLN A 95 -5.455 -7.729 13.307 1.00 0.34 H new ATOM 1441 N THR A 96 -0.612 -7.821 8.692 1.00 0.26 N ATOM 1442 CA THR A 96 -0.553 -6.854 7.610 1.00 0.25 C ATOM 1443 C THR A 96 -0.026 -7.527 6.359 1.00 0.25 C ATOM 1444 O THR A 96 -0.532 -7.320 5.256 1.00 0.31 O ATOM 1445 CB THR A 96 0.362 -5.687 7.976 1.00 0.25 C ATOM 1446 OG1 THR A 96 0.538 -5.658 9.389 1.00 0.24 O ATOM 1447 CG2 THR A 96 -0.229 -4.369 7.520 1.00 0.28 C ATOM 0 H THR A 96 0.085 -7.676 9.423 1.00 0.26 H new ATOM 0 HA THR A 96 -1.558 -6.470 7.434 1.00 0.25 H new ATOM 0 HB THR A 96 1.320 -5.827 7.476 1.00 0.25 H new ATOM 0 HG1 THR A 96 -0.280 -5.972 9.827 1.00 0.24 H new ATOM 0 HG21 THR A 96 0.443 -3.555 7.793 1.00 0.28 H new ATOM 0 HG22 THR A 96 -0.360 -4.384 6.438 1.00 0.28 H new ATOM 0 HG23 THR A 96 -1.196 -4.218 8.000 1.00 0.28 H new ATOM 1455 N VAL A 97 0.989 -8.362 6.551 1.00 0.25 N ATOM 1456 CA VAL A 97 1.583 -9.101 5.463 1.00 0.31 C ATOM 1457 C VAL A 97 0.597 -10.067 4.831 1.00 0.23 C ATOM 1458 O VAL A 97 0.577 -10.235 3.615 1.00 0.24 O ATOM 1459 CB VAL A 97 2.783 -9.931 5.907 1.00 0.48 C ATOM 1460 CG1 VAL A 97 3.423 -10.525 4.690 1.00 1.02 C ATOM 1461 CG2 VAL A 97 3.772 -9.101 6.681 1.00 1.38 C ATOM 0 H VAL A 97 1.415 -8.539 7.461 1.00 0.25 H new ATOM 0 HA VAL A 97 1.895 -8.340 4.747 1.00 0.31 H new ATOM 0 HB VAL A 97 2.446 -10.723 6.575 1.00 0.48 H new ATOM 0 HG11 VAL A 97 4.284 -11.123 4.987 1.00 1.02 H new ATOM 0 HG12 VAL A 97 2.703 -11.158 4.173 1.00 1.02 H new ATOM 0 HG13 VAL A 97 3.748 -9.726 4.023 1.00 1.02 H new ATOM 0 HG21 VAL A 97 4.614 -9.725 6.981 1.00 1.38 H new ATOM 0 HG22 VAL A 97 4.131 -8.284 6.055 1.00 1.38 H new ATOM 0 HG23 VAL A 97 3.288 -8.692 7.568 1.00 1.38 H new ATOM 1471 N GLU A 98 -0.186 -10.729 5.665 1.00 0.24 N ATOM 1472 CA GLU A 98 -1.159 -11.708 5.184 1.00 0.29 C ATOM 1473 C GLU A 98 -2.118 -11.057 4.193 1.00 0.31 C ATOM 1474 O GLU A 98 -2.546 -11.684 3.224 1.00 0.37 O ATOM 1475 CB GLU A 98 -1.938 -12.309 6.353 1.00 0.39 C ATOM 1476 CG GLU A 98 -1.054 -12.952 7.412 1.00 0.92 C ATOM 1477 CD GLU A 98 -1.855 -13.558 8.545 1.00 1.64 C ATOM 1478 OE1 GLU A 98 -2.228 -12.824 9.479 1.00 2.35 O ATOM 1479 OE2 GLU A 98 -2.117 -14.777 8.509 1.00 1.97 O ATOM 0 H GLU A 98 -0.171 -10.610 6.678 1.00 0.24 H new ATOM 0 HA GLU A 98 -0.620 -12.509 4.678 1.00 0.29 H new ATOM 0 HB2 GLU A 98 -2.537 -11.527 6.819 1.00 0.39 H new ATOM 0 HB3 GLU A 98 -2.632 -13.057 5.969 1.00 0.39 H new ATOM 0 HG2 GLU A 98 -0.442 -13.726 6.949 1.00 0.92 H new ATOM 0 HG3 GLU A 98 -0.371 -12.204 7.814 1.00 0.92 H new ATOM 1486 N ALA A 99 -2.424 -9.792 4.430 1.00 0.31 N ATOM 1487 CA ALA A 99 -3.258 -9.026 3.520 1.00 0.35 C ATOM 1488 C ALA A 99 -2.526 -8.771 2.207 1.00 0.34 C ATOM 1489 O ALA A 99 -3.132 -8.776 1.135 1.00 0.44 O ATOM 1490 CB ALA A 99 -3.669 -7.713 4.166 1.00 0.39 C ATOM 0 H ALA A 99 -2.106 -9.273 5.248 1.00 0.31 H new ATOM 0 HA ALA A 99 -4.156 -9.603 3.302 1.00 0.35 H new ATOM 0 HB1 ALA A 99 -4.294 -7.147 3.475 1.00 0.39 H new ATOM 0 HB2 ALA A 99 -4.229 -7.916 5.079 1.00 0.39 H new ATOM 0 HB3 ALA A 99 -2.779 -7.133 4.409 1.00 0.39 H new ATOM 1496 N ILE A 100 -1.209 -8.595 2.289 1.00 0.28 N ATOM 1497 CA ILE A 100 -0.409 -8.331 1.114 1.00 0.29 C ATOM 1498 C ILE A 100 -0.262 -9.610 0.311 1.00 0.29 C ATOM 1499 O ILE A 100 -0.389 -9.625 -0.912 1.00 0.34 O ATOM 1500 CB ILE A 100 0.984 -7.830 1.518 1.00 0.32 C ATOM 1501 CG1 ILE A 100 0.874 -6.512 2.291 1.00 0.35 C ATOM 1502 CG2 ILE A 100 1.850 -7.675 0.285 1.00 0.36 C ATOM 1503 CD1 ILE A 100 2.178 -6.059 2.911 1.00 0.41 C ATOM 0 H ILE A 100 -0.681 -8.632 3.161 1.00 0.28 H new ATOM 0 HA ILE A 100 -0.903 -7.566 0.515 1.00 0.29 H new ATOM 0 HB ILE A 100 1.453 -8.561 2.176 1.00 0.32 H new ATOM 0 HG12 ILE A 100 0.513 -5.735 1.617 1.00 0.35 H new ATOM 0 HG13 ILE A 100 0.128 -6.624 3.077 1.00 0.35 H new ATOM 0 HG21 ILE A 100 2.838 -7.319 0.577 1.00 0.36 H new ATOM 0 HG22 ILE A 100 1.945 -8.638 -0.217 1.00 0.36 H new ATOM 0 HG23 ILE A 100 1.391 -6.956 -0.394 1.00 0.36 H new ATOM 0 HD11 ILE A 100 2.022 -5.120 3.441 1.00 0.41 H new ATOM 0 HD12 ILE A 100 2.531 -6.817 3.611 1.00 0.41 H new ATOM 0 HD13 ILE A 100 2.922 -5.914 2.128 1.00 0.41 H new ATOM 1515 N ASN A 101 -0.023 -10.685 1.036 1.00 0.29 N ATOM 1516 CA ASN A 101 0.185 -11.994 0.451 1.00 0.34 C ATOM 1517 C ASN A 101 -1.065 -12.495 -0.235 1.00 0.36 C ATOM 1518 O ASN A 101 -0.991 -13.307 -1.149 1.00 0.43 O ATOM 1519 CB ASN A 101 0.622 -12.979 1.538 1.00 0.44 C ATOM 1520 CG ASN A 101 2.107 -13.157 1.604 1.00 0.53 C ATOM 1521 OD1 ASN A 101 2.717 -12.489 2.542 1.00 0.67 O flip ATOM 1522 ND2 ASN A 101 2.693 -13.915 0.835 1.00 0.64 N flip ATOM 0 H ASN A 101 0.033 -10.674 2.054 1.00 0.29 H new ATOM 0 HA ASN A 101 0.968 -11.912 -0.303 1.00 0.34 H new ATOM 0 HB2 ASN A 101 0.260 -12.629 2.505 1.00 0.44 H new ATOM 0 HB3 ASN A 101 0.154 -13.946 1.354 1.00 0.44 H new ATOM 0 HD21 ASN A 101 2.171 -14.416 0.116 1.00 0.64 H new ATOM 0 HD22 ASN A 101 3.702 -14.043 0.915 1.00 0.64 H new ATOM 1529 N HIS A 102 -2.207 -12.013 0.207 1.00 0.35 N ATOM 1530 CA HIS A 102 -3.463 -12.380 -0.402 1.00 0.43 C ATOM 1531 C HIS A 102 -3.709 -11.522 -1.639 1.00 0.37 C ATOM 1532 O HIS A 102 -4.177 -12.008 -2.673 1.00 0.41 O ATOM 1533 CB HIS A 102 -4.584 -12.215 0.617 1.00 0.61 C ATOM 1534 CG HIS A 102 -5.785 -13.020 0.279 1.00 1.18 C ATOM 1535 ND1 HIS A 102 -6.181 -14.129 0.992 1.00 2.07 N ATOM 1536 CD2 HIS A 102 -6.675 -12.870 -0.714 1.00 1.10 C ATOM 1537 CE1 HIS A 102 -7.272 -14.629 0.449 1.00 2.50 C ATOM 1538 NE2 HIS A 102 -7.595 -13.883 -0.590 1.00 1.91 N ATOM 0 H HIS A 102 -2.289 -11.364 0.989 1.00 0.35 H new ATOM 0 HA HIS A 102 -3.433 -13.423 -0.717 1.00 0.43 H new ATOM 0 HB2 HIS A 102 -4.221 -12.507 1.602 1.00 0.61 H new ATOM 0 HB3 HIS A 102 -4.862 -11.163 0.679 1.00 0.61 H new ATOM 0 HD2 HIS A 102 -6.669 -12.098 -1.469 1.00 1.10 H new ATOM 0 HE1 HIS A 102 -7.809 -15.500 0.795 1.00 2.50 H new ATOM 0 HE2 HIS A 102 -8.397 -14.034 -1.202 1.00 1.91 H new ATOM 1547 N ALA A 103 -3.357 -10.252 -1.537 1.00 0.37 N ATOM 1548 CA ALA A 103 -3.598 -9.311 -2.615 1.00 0.41 C ATOM 1549 C ALA A 103 -2.631 -9.518 -3.783 1.00 0.40 C ATOM 1550 O ALA A 103 -3.054 -9.550 -4.938 1.00 0.44 O ATOM 1551 CB ALA A 103 -3.506 -7.882 -2.101 1.00 0.47 C ATOM 0 H ALA A 103 -2.903 -9.849 -0.717 1.00 0.37 H new ATOM 0 HA ALA A 103 -4.606 -9.494 -2.988 1.00 0.41 H new ATOM 0 HB1 ALA A 103 -3.689 -7.188 -2.921 1.00 0.47 H new ATOM 0 HB2 ALA A 103 -4.252 -7.727 -1.321 1.00 0.47 H new ATOM 0 HB3 ALA A 103 -2.511 -7.706 -1.692 1.00 0.47 H new ATOM 1557 N LYS A 104 -1.336 -9.674 -3.498 1.00 0.41 N ATOM 1558 CA LYS A 104 -0.344 -9.778 -4.567 1.00 0.49 C ATOM 1559 C LYS A 104 -0.399 -11.142 -5.205 1.00 0.54 C ATOM 1560 O LYS A 104 -0.042 -11.318 -6.368 1.00 0.66 O ATOM 1561 CB LYS A 104 1.051 -9.514 -4.029 1.00 0.61 C ATOM 1562 CG LYS A 104 1.139 -8.208 -3.287 1.00 0.70 C ATOM 1563 CD LYS A 104 0.796 -7.019 -4.186 1.00 0.84 C ATOM 1564 CE LYS A 104 1.727 -6.923 -5.386 1.00 0.99 C ATOM 1565 NZ LYS A 104 1.380 -5.784 -6.288 1.00 1.66 N ATOM 0 H LYS A 104 -0.956 -9.730 -2.553 1.00 0.41 H new ATOM 0 HA LYS A 104 -0.576 -9.026 -5.321 1.00 0.49 H new ATOM 0 HB2 LYS A 104 1.342 -10.327 -3.364 1.00 0.61 H new ATOM 0 HB3 LYS A 104 1.762 -9.508 -4.855 1.00 0.61 H new ATOM 0 HG2 LYS A 104 0.459 -8.228 -2.435 1.00 0.70 H new ATOM 0 HG3 LYS A 104 2.146 -8.084 -2.888 1.00 0.70 H new ATOM 0 HD2 LYS A 104 -0.233 -7.112 -4.532 1.00 0.84 H new ATOM 0 HD3 LYS A 104 0.855 -6.098 -3.607 1.00 0.84 H new ATOM 0 HE2 LYS A 104 2.753 -6.807 -5.037 1.00 0.99 H new ATOM 0 HE3 LYS A 104 1.685 -7.855 -5.950 1.00 0.99 H new ATOM 0 HZ1 LYS A 104 2.043 -5.761 -7.089 1.00 1.66 H new ATOM 0 HZ2 LYS A 104 0.410 -5.906 -6.644 1.00 1.66 H new ATOM 0 HZ3 LYS A 104 1.445 -4.891 -5.760 1.00 1.66 H new ATOM 1579 N ALA A 105 -0.836 -12.108 -4.421 1.00 0.51 N ATOM 1580 CA ALA A 105 -1.084 -13.453 -4.934 1.00 0.61 C ATOM 1581 C ALA A 105 -2.080 -13.404 -6.087 1.00 0.62 C ATOM 1582 O ALA A 105 -1.890 -14.055 -7.115 1.00 0.77 O ATOM 1583 CB ALA A 105 -1.594 -14.370 -3.839 1.00 0.65 C ATOM 0 H ALA A 105 -1.028 -11.993 -3.426 1.00 0.51 H new ATOM 0 HA ALA A 105 -0.139 -13.855 -5.299 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -1.770 -15.364 -4.250 1.00 0.65 H new ATOM 0 HB2 ALA A 105 -0.853 -14.432 -3.042 1.00 0.65 H new ATOM 0 HB3 ALA A 105 -2.526 -13.973 -3.437 1.00 0.65 H new ATOM 1589 N ALA A 106 -3.140 -12.628 -5.909 1.00 0.54 N ATOM 1590 CA ALA A 106 -4.121 -12.428 -6.968 1.00 0.64 C ATOM 1591 C ALA A 106 -3.620 -11.408 -7.991 1.00 0.64 C ATOM 1592 O ALA A 106 -4.083 -11.376 -9.132 1.00 0.74 O ATOM 1593 CB ALA A 106 -5.453 -11.985 -6.377 1.00 0.68 C ATOM 0 H ALA A 106 -3.343 -12.127 -5.044 1.00 0.54 H new ATOM 0 HA ALA A 106 -4.267 -13.377 -7.483 1.00 0.64 H new ATOM 0 HB1 ALA A 106 -6.176 -11.839 -7.179 1.00 0.68 H new ATOM 0 HB2 ALA A 106 -5.820 -12.750 -5.692 1.00 0.68 H new ATOM 0 HB3 ALA A 106 -5.318 -11.048 -5.836 1.00 0.68 H new ATOM 1599 N ASN A 107 -2.686 -10.567 -7.537 1.00 0.59 N ATOM 1600 CA ASN A 107 -2.018 -9.544 -8.352 1.00 0.65 C ATOM 1601 C ASN A 107 -2.908 -8.325 -8.419 1.00 0.60 C ATOM 1602 O ASN A 107 -3.024 -7.643 -9.436 1.00 0.85 O ATOM 1603 CB ASN A 107 -1.640 -10.028 -9.754 1.00 0.85 C ATOM 1604 CG ASN A 107 -0.675 -9.090 -10.444 1.00 1.04 C ATOM 1605 OD1 ASN A 107 0.107 -8.392 -9.799 1.00 1.17 O ATOM 1606 ND2 ASN A 107 -0.712 -9.076 -11.760 1.00 1.41 N ATOM 0 H ASN A 107 -2.365 -10.578 -6.569 1.00 0.59 H new ATOM 0 HA ASN A 107 -1.071 -9.299 -7.870 1.00 0.65 H new ATOM 0 HB2 ASN A 107 -1.193 -11.020 -9.685 1.00 0.85 H new ATOM 0 HB3 ASN A 107 -2.542 -10.126 -10.358 1.00 0.85 H new ATOM 0 HD21 ASN A 107 -0.077 -8.471 -12.282 1.00 1.41 H new ATOM 0 HD22 ASN A 107 -1.375 -9.670 -12.258 1.00 1.41 H new ATOM 1613 N VAL A 108 -3.545 -8.083 -7.298 1.00 0.44 N ATOM 1614 CA VAL A 108 -4.451 -6.984 -7.136 1.00 0.42 C ATOM 1615 C VAL A 108 -3.695 -5.676 -6.945 1.00 0.37 C ATOM 1616 O VAL A 108 -2.683 -5.629 -6.236 1.00 0.38 O ATOM 1617 CB VAL A 108 -5.341 -7.238 -5.911 1.00 0.49 C ATOM 1618 CG1 VAL A 108 -6.037 -5.969 -5.497 1.00 1.06 C ATOM 1619 CG2 VAL A 108 -6.347 -8.344 -6.195 1.00 1.35 C ATOM 0 H VAL A 108 -3.443 -8.658 -6.462 1.00 0.44 H new ATOM 0 HA VAL A 108 -5.061 -6.903 -8.036 1.00 0.42 H new ATOM 0 HB VAL A 108 -4.709 -7.566 -5.086 1.00 0.49 H new ATOM 0 HG11 VAL A 108 -6.664 -6.165 -4.627 1.00 1.06 H new ATOM 0 HG12 VAL A 108 -5.294 -5.212 -5.245 1.00 1.06 H new ATOM 0 HG13 VAL A 108 -6.657 -5.610 -6.318 1.00 1.06 H new ATOM 0 HG21 VAL A 108 -6.967 -8.507 -5.313 1.00 1.35 H new ATOM 0 HG22 VAL A 108 -6.979 -8.054 -7.034 1.00 1.35 H new ATOM 0 HG23 VAL A 108 -5.817 -9.264 -6.441 1.00 1.35 H new ATOM 1629 N PRO A 109 -4.156 -4.605 -7.605 1.00 0.35 N ATOM 1630 CA PRO A 109 -3.664 -3.260 -7.348 1.00 0.33 C ATOM 1631 C PRO A 109 -4.068 -2.779 -5.965 1.00 0.28 C ATOM 1632 O PRO A 109 -5.202 -2.996 -5.521 1.00 0.29 O ATOM 1633 CB PRO A 109 -4.343 -2.398 -8.413 1.00 0.37 C ATOM 1634 CG PRO A 109 -4.905 -3.354 -9.411 1.00 0.47 C ATOM 1635 CD PRO A 109 -5.173 -4.628 -8.664 1.00 0.40 C ATOM 0 HA PRO A 109 -2.576 -3.214 -7.387 1.00 0.33 H new ATOM 0 HB2 PRO A 109 -5.129 -1.782 -7.975 1.00 0.37 H new ATOM 0 HB3 PRO A 109 -3.629 -1.719 -8.880 1.00 0.37 H new ATOM 0 HG2 PRO A 109 -5.821 -2.962 -9.853 1.00 0.47 H new ATOM 0 HG3 PRO A 109 -4.203 -3.522 -10.228 1.00 0.47 H new ATOM 0 HD2 PRO A 109 -6.183 -4.652 -8.254 1.00 0.40 H new ATOM 0 HD3 PRO A 109 -5.069 -5.503 -9.306 1.00 0.40 H new ATOM 1643 N ILE A 110 -3.162 -2.114 -5.277 1.00 0.25 N ATOM 1644 CA ILE A 110 -3.428 -1.760 -3.906 1.00 0.21 C ATOM 1645 C ILE A 110 -3.624 -0.263 -3.727 1.00 0.19 C ATOM 1646 O ILE A 110 -3.168 0.557 -4.527 1.00 0.23 O ATOM 1647 CB ILE A 110 -2.302 -2.272 -2.976 1.00 0.23 C ATOM 1648 CG1 ILE A 110 -2.259 -3.807 -3.015 1.00 0.38 C ATOM 1649 CG2 ILE A 110 -2.459 -1.763 -1.549 1.00 0.21 C ATOM 1650 CD1 ILE A 110 -2.226 -4.451 -1.646 1.00 0.60 C ATOM 0 H ILE A 110 -2.256 -1.815 -5.638 1.00 0.25 H new ATOM 0 HA ILE A 110 -4.363 -2.247 -3.628 1.00 0.21 H new ATOM 0 HB ILE A 110 -1.354 -1.877 -3.343 1.00 0.23 H new ATOM 0 HG12 ILE A 110 -3.131 -4.172 -3.557 1.00 0.38 H new ATOM 0 HG13 ILE A 110 -1.380 -4.123 -3.576 1.00 0.38 H new ATOM 0 HG21 ILE A 110 -1.646 -2.148 -0.934 1.00 0.21 H new ATOM 0 HG22 ILE A 110 -2.431 -0.673 -1.546 1.00 0.21 H new ATOM 0 HG23 ILE A 110 -3.413 -2.102 -1.144 1.00 0.21 H new ATOM 0 HD11 ILE A 110 -2.197 -5.535 -1.755 1.00 0.60 H new ATOM 0 HD12 ILE A 110 -1.339 -4.116 -1.108 1.00 0.60 H new ATOM 0 HD13 ILE A 110 -3.118 -4.166 -1.088 1.00 0.60 H new ATOM 1662 N ILE A 111 -4.336 0.054 -2.673 1.00 0.18 N ATOM 1663 CA ILE A 111 -4.491 1.407 -2.183 1.00 0.18 C ATOM 1664 C ILE A 111 -4.007 1.424 -0.749 1.00 0.16 C ATOM 1665 O ILE A 111 -4.784 1.269 0.192 1.00 0.18 O ATOM 1666 CB ILE A 111 -5.956 1.909 -2.241 1.00 0.25 C ATOM 1667 CG1 ILE A 111 -6.424 2.038 -3.686 1.00 0.32 C ATOM 1668 CG2 ILE A 111 -6.095 3.256 -1.534 1.00 0.27 C ATOM 1669 CD1 ILE A 111 -5.723 3.140 -4.440 1.00 0.37 C ATOM 0 H ILE A 111 -4.838 -0.638 -2.116 1.00 0.18 H new ATOM 0 HA ILE A 111 -3.913 2.076 -2.820 1.00 0.18 H new ATOM 0 HB ILE A 111 -6.580 1.176 -1.730 1.00 0.25 H new ATOM 0 HG12 ILE A 111 -6.258 1.092 -4.201 1.00 0.32 H new ATOM 0 HG13 ILE A 111 -7.498 2.224 -3.698 1.00 0.32 H new ATOM 0 HG21 ILE A 111 -7.131 3.589 -1.587 1.00 0.27 H new ATOM 0 HG22 ILE A 111 -5.800 3.151 -0.490 1.00 0.27 H new ATOM 0 HG23 ILE A 111 -5.452 3.990 -2.020 1.00 0.27 H new ATOM 0 HD11 ILE A 111 -6.101 3.179 -5.462 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -5.910 4.094 -3.947 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -4.651 2.944 -4.457 1.00 0.37 H new ATOM 1681 N VAL A 112 -2.706 1.531 -0.579 1.00 0.16 N ATOM 1682 CA VAL A 112 -2.146 1.577 0.740 1.00 0.18 C ATOM 1683 C VAL A 112 -2.527 2.867 1.386 1.00 0.20 C ATOM 1684 O VAL A 112 -2.644 3.900 0.733 1.00 0.22 O ATOM 1685 CB VAL A 112 -0.623 1.453 0.741 1.00 0.19 C ATOM 1686 CG1 VAL A 112 -0.079 1.509 2.142 1.00 0.26 C ATOM 1687 CG2 VAL A 112 -0.203 0.167 0.093 1.00 0.19 C ATOM 0 H VAL A 112 -2.026 1.587 -1.337 1.00 0.16 H new ATOM 0 HA VAL A 112 -2.544 0.725 1.292 1.00 0.18 H new ATOM 0 HB VAL A 112 -0.220 2.292 0.174 1.00 0.19 H new ATOM 0 HG11 VAL A 112 1.007 1.419 2.115 1.00 0.26 H new ATOM 0 HG12 VAL A 112 -0.353 2.459 2.601 1.00 0.26 H new ATOM 0 HG13 VAL A 112 -0.497 0.690 2.727 1.00 0.26 H new ATOM 0 HG21 VAL A 112 0.884 0.093 0.101 1.00 0.19 H new ATOM 0 HG22 VAL A 112 -0.628 -0.673 0.643 1.00 0.19 H new ATOM 0 HG23 VAL A 112 -0.560 0.145 -0.937 1.00 0.19 H new ATOM 1697 N ALA A 113 -2.717 2.793 2.655 1.00 0.21 N ATOM 1698 CA ALA A 113 -3.123 3.934 3.412 1.00 0.24 C ATOM 1699 C ALA A 113 -2.410 3.956 4.738 1.00 0.25 C ATOM 1700 O ALA A 113 -2.716 3.189 5.652 1.00 0.28 O ATOM 1701 CB ALA A 113 -4.627 3.955 3.570 1.00 0.29 C ATOM 0 H ALA A 113 -2.597 1.941 3.203 1.00 0.21 H new ATOM 0 HA ALA A 113 -2.844 4.841 2.876 1.00 0.24 H new ATOM 0 HB1 ALA A 113 -4.920 4.831 4.149 1.00 0.29 H new ATOM 0 HB2 ALA A 113 -5.096 3.997 2.587 1.00 0.29 H new ATOM 0 HB3 ALA A 113 -4.951 3.052 4.088 1.00 0.29 H new ATOM 1707 N ILE A 114 -1.420 4.815 4.799 1.00 0.24 N ATOM 1708 CA ILE A 114 -0.685 5.048 6.003 1.00 0.27 C ATOM 1709 C ILE A 114 -1.591 5.749 6.988 1.00 0.30 C ATOM 1710 O ILE A 114 -2.324 6.645 6.611 1.00 0.50 O ATOM 1711 CB ILE A 114 0.568 5.906 5.724 1.00 0.33 C ATOM 1712 CG1 ILE A 114 1.620 5.093 4.970 1.00 0.38 C ATOM 1713 CG2 ILE A 114 1.145 6.452 7.007 1.00 0.44 C ATOM 1714 CD1 ILE A 114 1.432 5.075 3.467 1.00 0.59 C ATOM 0 H ILE A 114 -1.106 5.372 4.004 1.00 0.24 H new ATOM 0 HA ILE A 114 -0.349 4.096 6.415 1.00 0.27 H new ATOM 0 HB ILE A 114 0.267 6.748 5.100 1.00 0.33 H new ATOM 0 HG12 ILE A 114 2.606 5.498 5.197 1.00 0.38 H new ATOM 0 HG13 ILE A 114 1.604 4.068 5.339 1.00 0.38 H new ATOM 0 HG21 ILE A 114 2.027 7.053 6.783 1.00 0.44 H new ATOM 0 HG22 ILE A 114 0.400 7.072 7.506 1.00 0.44 H new ATOM 0 HG23 ILE A 114 1.425 5.626 7.660 1.00 0.44 H new ATOM 0 HD11 ILE A 114 2.220 4.477 3.009 1.00 0.59 H new ATOM 0 HD12 ILE A 114 0.461 4.642 3.227 1.00 0.59 H new ATOM 0 HD13 ILE A 114 1.480 6.094 3.082 1.00 0.59 H new ATOM 1726 N ASN A 115 -1.564 5.321 8.224 1.00 0.19 N ATOM 1727 CA ASN A 115 -2.399 5.897 9.262 1.00 0.22 C ATOM 1728 C ASN A 115 -1.500 6.354 10.357 1.00 0.20 C ATOM 1729 O ASN A 115 -0.313 6.028 10.357 1.00 0.22 O ATOM 1730 CB ASN A 115 -3.390 4.858 9.769 1.00 0.33 C ATOM 1731 CG ASN A 115 -4.390 5.462 10.712 1.00 0.84 C ATOM 1732 OD1 ASN A 115 -4.730 6.642 10.588 1.00 1.85 O ATOM 1733 ND2 ASN A 115 -4.854 4.679 11.662 1.00 0.56 N ATOM 0 H ASN A 115 -0.963 4.562 8.546 1.00 0.19 H new ATOM 0 HA ASN A 115 -2.975 6.739 8.877 1.00 0.22 H new ATOM 0 HB2 ASN A 115 -3.911 4.409 8.924 1.00 0.33 H new ATOM 0 HB3 ASN A 115 -2.851 4.056 10.274 1.00 0.33 H new ATOM 0 HD21 ASN A 115 -5.526 5.041 12.338 1.00 0.56 H new ATOM 0 HD22 ASN A 115 -4.542 3.710 11.722 1.00 0.56 H new ATOM 1740 N LYS A 116 -2.048 7.135 11.260 1.00 0.19 N ATOM 1741 CA LYS A 116 -1.295 7.610 12.377 1.00 0.20 C ATOM 1742 C LYS A 116 -0.242 8.615 11.938 1.00 0.21 C ATOM 1743 O LYS A 116 0.828 8.713 12.537 1.00 0.26 O ATOM 1744 CB LYS A 116 -0.688 6.413 13.097 1.00 0.25 C ATOM 1745 CG LYS A 116 -1.687 5.700 13.983 1.00 0.32 C ATOM 1746 CD LYS A 116 -1.018 4.664 14.865 1.00 0.40 C ATOM 1747 CE LYS A 116 -2.034 3.832 15.627 1.00 0.51 C ATOM 1748 NZ LYS A 116 -1.374 2.779 16.440 1.00 0.59 N ATOM 0 H LYS A 116 -3.018 7.451 11.234 1.00 0.19 H new ATOM 0 HA LYS A 116 -1.948 8.140 13.070 1.00 0.20 H new ATOM 0 HB2 LYS A 116 -0.295 5.712 12.361 1.00 0.25 H new ATOM 0 HB3 LYS A 116 0.155 6.746 13.702 1.00 0.25 H new ATOM 0 HG2 LYS A 116 -2.205 6.429 14.607 1.00 0.32 H new ATOM 0 HG3 LYS A 116 -2.442 5.217 13.363 1.00 0.32 H new ATOM 0 HD2 LYS A 116 -0.399 4.009 14.251 1.00 0.40 H new ATOM 0 HD3 LYS A 116 -0.353 5.162 15.571 1.00 0.40 H new ATOM 0 HE2 LYS A 116 -2.622 4.480 16.277 1.00 0.51 H new ATOM 0 HE3 LYS A 116 -2.728 3.370 14.925 1.00 0.51 H new ATOM 0 HZ1 LYS A 116 -1.901 1.887 16.346 1.00 0.59 H new ATOM 0 HZ2 LYS A 116 -0.399 2.642 16.105 1.00 0.59 H new ATOM 0 HZ3 LYS A 116 -1.360 3.069 17.439 1.00 0.59 H new ATOM 1762 N MET A 117 -0.565 9.367 10.883 1.00 0.21 N ATOM 1763 CA MET A 117 0.280 10.462 10.438 1.00 0.28 C ATOM 1764 C MET A 117 -0.065 11.701 11.232 1.00 0.29 C ATOM 1765 O MET A 117 0.546 12.760 11.082 1.00 0.37 O ATOM 1766 CB MET A 117 0.091 10.692 8.948 1.00 0.38 C ATOM 1767 CG MET A 117 0.684 9.578 8.117 1.00 0.48 C ATOM 1768 SD MET A 117 2.469 9.700 7.989 1.00 0.77 S ATOM 1769 CE MET A 117 2.618 11.135 6.937 1.00 0.92 C ATOM 0 H MET A 117 -1.408 9.232 10.325 1.00 0.21 H new ATOM 0 HA MET A 117 1.329 10.218 10.605 1.00 0.28 H new ATOM 0 HB2 MET A 117 -0.973 10.780 8.728 1.00 0.38 H new ATOM 0 HB3 MET A 117 0.554 11.638 8.667 1.00 0.38 H new ATOM 0 HG2 MET A 117 0.418 8.617 8.559 1.00 0.48 H new ATOM 0 HG3 MET A 117 0.248 9.601 7.118 1.00 0.48 H new ATOM 0 HE1 MET A 117 3.409 11.782 7.315 1.00 0.92 H new ATOM 0 HE2 MET A 117 2.861 10.819 5.923 1.00 0.92 H new ATOM 0 HE3 MET A 117 1.675 11.681 6.931 1.00 0.92 H new ATOM 1779 N ASP A 118 -1.078 11.546 12.069 1.00 0.27 N ATOM 1780 CA ASP A 118 -1.407 12.532 13.081 1.00 0.34 C ATOM 1781 C ASP A 118 -0.306 12.557 14.125 1.00 0.33 C ATOM 1782 O ASP A 118 0.003 13.597 14.707 1.00 0.47 O ATOM 1783 CB ASP A 118 -2.743 12.191 13.736 1.00 0.39 C ATOM 1784 CG ASP A 118 -2.824 10.743 14.175 1.00 0.55 C ATOM 1785 OD1 ASP A 118 -3.054 9.872 13.306 1.00 0.67 O ATOM 1786 OD2 ASP A 118 -2.680 10.472 15.384 1.00 0.76 O ATOM 0 H ASP A 118 -1.694 10.733 12.065 1.00 0.27 H new ATOM 0 HA ASP A 118 -1.492 13.514 12.616 1.00 0.34 H new ATOM 0 HB2 ASP A 118 -2.895 12.838 14.600 1.00 0.39 H new ATOM 0 HB3 ASP A 118 -3.551 12.400 13.035 1.00 0.39 H new ATOM 1791 N LYS A 119 0.273 11.391 14.348 1.00 0.23 N ATOM 1792 CA LYS A 119 1.426 11.249 15.206 1.00 0.26 C ATOM 1793 C LYS A 119 2.661 11.829 14.528 1.00 0.28 C ATOM 1794 O LYS A 119 2.943 11.518 13.375 1.00 0.26 O ATOM 1795 CB LYS A 119 1.648 9.766 15.513 1.00 0.29 C ATOM 1796 CG LYS A 119 0.505 9.140 16.294 1.00 0.36 C ATOM 1797 CD LYS A 119 0.595 7.622 16.312 1.00 0.72 C ATOM 1798 CE LYS A 119 1.948 7.122 16.789 1.00 0.87 C ATOM 1799 NZ LYS A 119 2.174 7.345 18.239 1.00 1.17 N ATOM 0 H LYS A 119 -0.048 10.515 13.936 1.00 0.23 H new ATOM 0 HA LYS A 119 1.252 11.792 16.135 1.00 0.26 H new ATOM 0 HB2 LYS A 119 1.780 9.223 14.577 1.00 0.29 H new ATOM 0 HB3 LYS A 119 2.572 9.653 16.080 1.00 0.29 H new ATOM 0 HG2 LYS A 119 0.515 9.516 17.317 1.00 0.36 H new ATOM 0 HG3 LYS A 119 -0.445 9.442 15.853 1.00 0.36 H new ATOM 0 HD2 LYS A 119 -0.185 7.223 16.961 1.00 0.72 H new ATOM 0 HD3 LYS A 119 0.403 7.239 15.310 1.00 0.72 H new ATOM 0 HE2 LYS A 119 2.031 6.057 16.574 1.00 0.87 H new ATOM 0 HE3 LYS A 119 2.734 7.623 16.224 1.00 0.87 H new ATOM 0 HZ1 LYS A 119 2.925 6.709 18.575 1.00 1.17 H new ATOM 0 HZ2 LYS A 119 2.460 8.332 18.398 1.00 1.17 H new ATOM 0 HZ3 LYS A 119 1.296 7.151 18.761 1.00 1.17 H new ATOM 1813 N PRO A 120 3.413 12.691 15.225 1.00 0.38 N ATOM 1814 CA PRO A 120 4.689 13.215 14.715 1.00 0.45 C ATOM 1815 C PRO A 120 5.727 12.102 14.607 1.00 0.40 C ATOM 1816 O PRO A 120 6.766 12.241 13.964 1.00 0.45 O ATOM 1817 CB PRO A 120 5.108 14.237 15.772 1.00 0.57 C ATOM 1818 CG PRO A 120 4.373 13.840 17.009 1.00 0.58 C ATOM 1819 CD PRO A 120 3.078 13.242 16.549 1.00 0.48 C ATOM 0 HA PRO A 120 4.600 13.645 13.718 1.00 0.45 H new ATOM 0 HB2 PRO A 120 6.186 14.220 15.931 1.00 0.57 H new ATOM 0 HB3 PRO A 120 4.847 15.250 15.466 1.00 0.57 H new ATOM 0 HG2 PRO A 120 4.949 13.121 17.591 1.00 0.58 H new ATOM 0 HG3 PRO A 120 4.197 14.703 17.652 1.00 0.58 H new ATOM 0 HD2 PRO A 120 2.728 12.467 17.231 1.00 0.48 H new ATOM 0 HD3 PRO A 120 2.289 13.991 16.485 1.00 0.48 H new ATOM 1827 N GLU A 121 5.397 10.994 15.244 1.00 0.35 N ATOM 1828 CA GLU A 121 6.219 9.793 15.268 1.00 0.37 C ATOM 1829 C GLU A 121 5.988 8.968 14.005 1.00 0.30 C ATOM 1830 O GLU A 121 6.592 7.911 13.807 1.00 0.37 O ATOM 1831 CB GLU A 121 5.832 9.000 16.506 1.00 0.48 C ATOM 1832 CG GLU A 121 5.716 9.892 17.728 1.00 0.62 C ATOM 1833 CD GLU A 121 4.739 9.368 18.757 1.00 1.04 C ATOM 1834 OE1 GLU A 121 3.519 9.576 18.572 1.00 1.45 O ATOM 1835 OE2 GLU A 121 5.179 8.758 19.753 1.00 1.40 O ATOM 0 H GLU A 121 4.530 10.899 15.772 1.00 0.35 H new ATOM 0 HA GLU A 121 7.277 10.052 15.300 1.00 0.37 H new ATOM 0 HB2 GLU A 121 4.882 8.494 16.333 1.00 0.48 H new ATOM 0 HB3 GLU A 121 6.576 8.225 16.690 1.00 0.48 H new ATOM 0 HG2 GLU A 121 6.698 9.996 18.189 1.00 0.62 H new ATOM 0 HG3 GLU A 121 5.404 10.888 17.414 1.00 0.62 H new ATOM 1842 N ALA A 122 5.082 9.461 13.172 1.00 0.24 N ATOM 1843 CA ALA A 122 4.758 8.839 11.892 1.00 0.22 C ATOM 1844 C ALA A 122 5.972 8.796 10.974 1.00 0.21 C ATOM 1845 O ALA A 122 6.652 9.807 10.779 1.00 0.26 O ATOM 1846 CB ALA A 122 3.628 9.593 11.212 1.00 0.27 C ATOM 0 H ALA A 122 4.547 10.308 13.365 1.00 0.24 H new ATOM 0 HA ALA A 122 4.443 7.815 12.091 1.00 0.22 H new ATOM 0 HB1 ALA A 122 3.396 9.119 10.258 1.00 0.27 H new ATOM 0 HB2 ALA A 122 2.744 9.577 11.850 1.00 0.27 H new ATOM 0 HB3 ALA A 122 3.932 10.626 11.039 1.00 0.27 H new ATOM 1852 N ASN A 123 6.242 7.625 10.418 1.00 0.21 N ATOM 1853 CA ASN A 123 7.301 7.468 9.434 1.00 0.23 C ATOM 1854 C ASN A 123 6.710 6.845 8.180 1.00 0.23 C ATOM 1855 O ASN A 123 6.901 5.662 7.904 1.00 0.25 O ATOM 1856 CB ASN A 123 8.408 6.567 9.981 1.00 0.26 C ATOM 1857 CG ASN A 123 9.775 6.902 9.477 1.00 0.42 C ATOM 1858 OD1 ASN A 123 9.849 7.508 8.331 1.00 0.95 O flip ATOM 1859 ND2 ASN A 123 10.773 6.625 10.135 1.00 0.52 N flip ATOM 0 H ASN A 123 5.738 6.765 10.634 1.00 0.21 H new ATOM 0 HA ASN A 123 7.731 8.443 9.205 1.00 0.23 H new ATOM 0 HB2 ASN A 123 8.408 6.630 11.069 1.00 0.26 H new ATOM 0 HB3 ASN A 123 8.181 5.533 9.722 1.00 0.26 H new ATOM 0 HD21 ASN A 123 10.677 6.148 11.032 1.00 0.52 H new ATOM 0 HD22 ASN A 123 11.699 6.871 9.785 1.00 0.52 H new ATOM 1866 N PRO A 124 6.001 7.649 7.392 1.00 0.25 N ATOM 1867 CA PRO A 124 5.240 7.161 6.242 1.00 0.32 C ATOM 1868 C PRO A 124 6.110 6.619 5.138 1.00 0.33 C ATOM 1869 O PRO A 124 5.924 5.492 4.683 1.00 0.35 O ATOM 1870 CB PRO A 124 4.524 8.401 5.765 1.00 0.40 C ATOM 1871 CG PRO A 124 5.378 9.528 6.213 1.00 0.32 C ATOM 1872 CD PRO A 124 5.874 9.109 7.556 1.00 0.27 C ATOM 0 HA PRO A 124 4.589 6.331 6.516 1.00 0.32 H new ATOM 0 HB2 PRO A 124 4.409 8.399 4.681 1.00 0.40 H new ATOM 0 HB3 PRO A 124 3.523 8.469 6.192 1.00 0.40 H new ATOM 0 HG2 PRO A 124 6.203 9.701 5.521 1.00 0.32 H new ATOM 0 HG3 PRO A 124 4.811 10.457 6.271 1.00 0.32 H new ATOM 0 HD2 PRO A 124 6.827 9.577 7.803 1.00 0.27 H new ATOM 0 HD3 PRO A 124 5.175 9.371 8.350 1.00 0.27 H new ATOM 1880 N ASP A 125 7.045 7.438 4.708 1.00 0.37 N ATOM 1881 CA ASP A 125 7.998 7.048 3.686 1.00 0.44 C ATOM 1882 C ASP A 125 8.696 5.764 4.087 1.00 0.34 C ATOM 1883 O ASP A 125 9.059 4.946 3.242 1.00 0.33 O ATOM 1884 CB ASP A 125 9.025 8.153 3.458 1.00 0.61 C ATOM 1885 CG ASP A 125 8.415 9.363 2.777 1.00 0.99 C ATOM 1886 OD1 ASP A 125 7.700 10.129 3.449 1.00 1.44 O ATOM 1887 OD2 ASP A 125 8.657 9.559 1.565 1.00 1.13 O ATOM 0 H ASP A 125 7.168 8.390 5.054 1.00 0.37 H new ATOM 0 HA ASP A 125 7.456 6.882 2.755 1.00 0.44 H new ATOM 0 HB2 ASP A 125 9.454 8.453 4.414 1.00 0.61 H new ATOM 0 HB3 ASP A 125 9.843 7.768 2.849 1.00 0.61 H new ATOM 1892 N ARG A 126 8.827 5.552 5.388 1.00 0.31 N ATOM 1893 CA ARG A 126 9.495 4.352 5.860 1.00 0.31 C ATOM 1894 C ARG A 126 8.571 3.170 5.710 1.00 0.27 C ATOM 1895 O ARG A 126 8.895 2.192 5.046 1.00 0.30 O ATOM 1896 CB ARG A 126 9.928 4.436 7.320 1.00 0.35 C ATOM 1897 CG ARG A 126 10.670 3.179 7.742 1.00 0.51 C ATOM 1898 CD ARG A 126 10.803 3.016 9.244 1.00 1.24 C ATOM 1899 NE ARG A 126 11.351 1.694 9.556 1.00 1.92 N ATOM 1900 CZ ARG A 126 10.975 0.935 10.588 1.00 2.94 C ATOM 1901 NH1 ARG A 126 10.162 1.413 11.522 1.00 3.49 N ATOM 1902 NH2 ARG A 126 11.436 -0.305 10.686 1.00 3.79 N ATOM 0 H ARG A 126 8.489 6.178 6.118 1.00 0.31 H new ATOM 0 HA ARG A 126 10.394 4.241 5.253 1.00 0.31 H new ATOM 0 HB2 ARG A 126 10.569 5.306 7.463 1.00 0.35 H new ATOM 0 HB3 ARG A 126 9.053 4.576 7.955 1.00 0.35 H new ATOM 0 HG2 ARG A 126 10.151 2.310 7.337 1.00 0.51 H new ATOM 0 HG3 ARG A 126 11.666 3.191 7.299 1.00 0.51 H new ATOM 0 HD2 ARG A 126 11.453 3.793 9.647 1.00 1.24 H new ATOM 0 HD3 ARG A 126 9.830 3.137 9.719 1.00 1.24 H new ATOM 0 HE ARG A 126 12.074 1.326 8.938 1.00 1.92 H new ATOM 0 HH11 ARG A 126 9.817 2.371 11.456 1.00 3.49 H new ATOM 0 HH12 ARG A 126 9.882 0.823 12.305 1.00 3.49 H new ATOM 0 HH21 ARG A 126 12.072 -0.670 9.977 1.00 3.79 H new ATOM 0 HH22 ARG A 126 11.155 -0.893 11.471 1.00 3.79 H new ATOM 1916 N VAL A 127 7.410 3.278 6.324 1.00 0.25 N ATOM 1917 CA VAL A 127 6.457 2.189 6.327 1.00 0.28 C ATOM 1918 C VAL A 127 5.972 1.849 4.921 1.00 0.28 C ATOM 1919 O VAL A 127 5.678 0.696 4.633 1.00 0.33 O ATOM 1920 CB VAL A 127 5.276 2.469 7.280 1.00 0.36 C ATOM 1921 CG1 VAL A 127 5.817 2.701 8.674 1.00 0.59 C ATOM 1922 CG2 VAL A 127 4.424 3.650 6.834 1.00 0.44 C ATOM 0 H VAL A 127 7.104 4.111 6.828 1.00 0.25 H new ATOM 0 HA VAL A 127 6.981 1.311 6.705 1.00 0.28 H new ATOM 0 HB VAL A 127 4.620 1.599 7.267 1.00 0.36 H new ATOM 0 HG11 VAL A 127 4.991 2.900 9.356 1.00 0.59 H new ATOM 0 HG12 VAL A 127 6.357 1.815 9.007 1.00 0.59 H new ATOM 0 HG13 VAL A 127 6.493 3.556 8.664 1.00 0.59 H new ATOM 0 HG21 VAL A 127 3.609 3.799 7.543 1.00 0.44 H new ATOM 0 HG22 VAL A 127 5.040 4.549 6.795 1.00 0.44 H new ATOM 0 HG23 VAL A 127 4.012 3.449 5.845 1.00 0.44 H new ATOM 1932 N MET A 128 5.948 2.831 4.025 1.00 0.27 N ATOM 1933 CA MET A 128 5.557 2.565 2.644 1.00 0.31 C ATOM 1934 C MET A 128 6.671 1.802 1.915 1.00 0.26 C ATOM 1935 O MET A 128 6.416 1.073 0.952 1.00 0.35 O ATOM 1936 CB MET A 128 5.160 3.866 1.909 1.00 0.52 C ATOM 1937 CG MET A 128 6.311 4.783 1.518 1.00 0.81 C ATOM 1938 SD MET A 128 5.765 6.464 1.096 1.00 0.67 S ATOM 1939 CE MET A 128 4.659 6.196 -0.299 1.00 0.46 C ATOM 0 H MET A 128 6.190 3.802 4.224 1.00 0.27 H new ATOM 0 HA MET A 128 4.670 1.931 2.649 1.00 0.31 H new ATOM 0 HB2 MET A 128 4.611 3.598 1.006 1.00 0.52 H new ATOM 0 HB3 MET A 128 4.474 4.426 2.545 1.00 0.52 H new ATOM 0 HG2 MET A 128 7.024 4.834 2.341 1.00 0.81 H new ATOM 0 HG3 MET A 128 6.838 4.353 0.666 1.00 0.81 H new ATOM 0 HE1 MET A 128 3.958 7.027 -0.372 1.00 0.46 H new ATOM 0 HE2 MET A 128 5.242 6.131 -1.218 1.00 0.46 H new ATOM 0 HE3 MET A 128 4.107 5.268 -0.153 1.00 0.46 H new ATOM 1949 N GLN A 129 7.906 1.934 2.405 1.00 0.24 N ATOM 1950 CA GLN A 129 9.015 1.133 1.888 1.00 0.27 C ATOM 1951 C GLN A 129 8.869 -0.328 2.311 1.00 0.30 C ATOM 1952 O GLN A 129 9.256 -1.234 1.575 1.00 0.33 O ATOM 1953 CB GLN A 129 10.364 1.683 2.355 1.00 0.32 C ATOM 1954 CG GLN A 129 10.783 2.952 1.635 1.00 0.42 C ATOM 1955 CD GLN A 129 12.033 3.577 2.222 1.00 0.54 C ATOM 1956 OE1 GLN A 129 13.149 3.272 1.809 1.00 1.17 O ATOM 1957 NE2 GLN A 129 11.852 4.469 3.180 1.00 1.31 N ATOM 0 H GLN A 129 8.161 2.581 3.151 1.00 0.24 H new ATOM 0 HA GLN A 129 8.983 1.190 0.800 1.00 0.27 H new ATOM 0 HB2 GLN A 129 10.315 1.881 3.426 1.00 0.32 H new ATOM 0 HB3 GLN A 129 11.129 0.921 2.206 1.00 0.32 H new ATOM 0 HG2 GLN A 129 10.955 2.727 0.583 1.00 0.42 H new ATOM 0 HG3 GLN A 129 9.967 3.674 1.677 1.00 0.42 H new ATOM 0 HE21 GLN A 129 10.908 4.695 3.495 1.00 1.31 H new ATOM 0 HE22 GLN A 129 12.656 4.932 3.604 1.00 1.31 H new ATOM 1966 N GLU A 130 8.291 -0.549 3.491 1.00 0.37 N ATOM 1967 CA GLU A 130 8.041 -1.902 3.990 1.00 0.43 C ATOM 1968 C GLU A 130 7.048 -2.608 3.082 1.00 0.36 C ATOM 1969 O GLU A 130 7.076 -3.829 2.912 1.00 0.35 O ATOM 1970 CB GLU A 130 7.474 -1.861 5.410 1.00 0.61 C ATOM 1971 CG GLU A 130 8.105 -0.796 6.278 1.00 0.63 C ATOM 1972 CD GLU A 130 9.570 -1.054 6.558 1.00 1.04 C ATOM 1973 OE1 GLU A 130 10.419 -0.610 5.761 1.00 1.64 O ATOM 1974 OE2 GLU A 130 9.877 -1.701 7.580 1.00 1.63 O ATOM 0 H GLU A 130 7.986 0.193 4.121 1.00 0.37 H new ATOM 0 HA GLU A 130 8.988 -2.442 4.001 1.00 0.43 H new ATOM 0 HB2 GLU A 130 6.399 -1.688 5.359 1.00 0.61 H new ATOM 0 HB3 GLU A 130 7.618 -2.834 5.879 1.00 0.61 H new ATOM 0 HG2 GLU A 130 7.999 0.173 5.790 1.00 0.63 H new ATOM 0 HG3 GLU A 130 7.565 -0.738 7.223 1.00 0.63 H new ATOM 1981 N LEU A 131 6.162 -1.825 2.499 1.00 0.36 N ATOM 1982 CA LEU A 131 5.220 -2.348 1.540 1.00 0.37 C ATOM 1983 C LEU A 131 5.961 -2.865 0.330 1.00 0.29 C ATOM 1984 O LEU A 131 5.643 -3.935 -0.177 1.00 0.32 O ATOM 1985 CB LEU A 131 4.190 -1.299 1.128 1.00 0.49 C ATOM 1986 CG LEU A 131 3.000 -1.151 2.075 1.00 0.71 C ATOM 1987 CD1 LEU A 131 2.304 -2.483 2.249 1.00 1.36 C ATOM 1988 CD2 LEU A 131 3.448 -0.636 3.417 1.00 1.18 C ATOM 0 H LEU A 131 6.078 -0.824 2.675 1.00 0.36 H new ATOM 0 HA LEU A 131 4.677 -3.167 2.011 1.00 0.37 H new ATOM 0 HB2 LEU A 131 4.690 -0.334 1.045 1.00 0.49 H new ATOM 0 HB3 LEU A 131 3.816 -1.550 0.136 1.00 0.49 H new ATOM 0 HG LEU A 131 2.304 -0.434 1.639 1.00 0.71 H new ATOM 0 HD11 LEU A 131 1.458 -2.366 2.926 1.00 1.36 H new ATOM 0 HD12 LEU A 131 1.948 -2.837 1.281 1.00 1.36 H new ATOM 0 HD13 LEU A 131 3.004 -3.208 2.665 1.00 1.36 H new ATOM 0 HD21 LEU A 131 2.585 -0.538 4.076 1.00 1.18 H new ATOM 0 HD22 LEU A 131 4.161 -1.334 3.855 1.00 1.18 H new ATOM 0 HD23 LEU A 131 3.922 0.338 3.293 1.00 1.18 H new ATOM 2000 N MET A 132 6.976 -2.135 -0.121 1.00 0.25 N ATOM 2001 CA MET A 132 7.743 -2.599 -1.266 1.00 0.26 C ATOM 2002 C MET A 132 8.625 -3.767 -0.881 1.00 0.30 C ATOM 2003 O MET A 132 9.153 -4.471 -1.744 1.00 0.37 O ATOM 2004 CB MET A 132 8.607 -1.518 -1.887 1.00 0.32 C ATOM 2005 CG MET A 132 8.025 -0.133 -1.798 1.00 0.88 C ATOM 2006 SD MET A 132 8.492 0.876 -3.209 1.00 1.60 S ATOM 2007 CE MET A 132 10.236 0.522 -3.323 1.00 1.61 C ATOM 0 H MET A 132 7.279 -1.246 0.276 1.00 0.25 H new ATOM 0 HA MET A 132 7.008 -2.905 -2.010 1.00 0.26 H new ATOM 0 HB2 MET A 132 9.581 -1.522 -1.398 1.00 0.32 H new ATOM 0 HB3 MET A 132 8.776 -1.762 -2.936 1.00 0.32 H new ATOM 0 HG2 MET A 132 6.938 -0.198 -1.741 1.00 0.88 H new ATOM 0 HG3 MET A 132 8.365 0.346 -0.880 1.00 0.88 H new ATOM 0 HE1 MET A 132 10.747 1.360 -3.798 1.00 1.61 H new ATOM 0 HE2 MET A 132 10.642 0.369 -2.323 1.00 1.61 H new ATOM 0 HE3 MET A 132 10.386 -0.379 -3.918 1.00 1.61 H new ATOM 2017 N GLU A 133 8.776 -3.975 0.420 1.00 0.32 N ATOM 2018 CA GLU A 133 9.480 -5.139 0.924 1.00 0.40 C ATOM 2019 C GLU A 133 8.633 -6.351 0.609 1.00 0.38 C ATOM 2020 O GLU A 133 9.129 -7.467 0.449 1.00 0.45 O ATOM 2021 CB GLU A 133 9.719 -5.023 2.431 1.00 0.54 C ATOM 2022 CG GLU A 133 10.744 -3.972 2.815 1.00 0.79 C ATOM 2023 CD GLU A 133 12.155 -4.520 2.844 1.00 1.07 C ATOM 2024 OE1 GLU A 133 12.719 -4.795 1.765 1.00 1.67 O ATOM 2025 OE2 GLU A 133 12.707 -4.683 3.950 1.00 1.53 O ATOM 0 H GLU A 133 8.419 -3.351 1.143 1.00 0.32 H new ATOM 0 HA GLU A 133 10.459 -5.223 0.452 1.00 0.40 H new ATOM 0 HB2 GLU A 133 8.774 -4.790 2.921 1.00 0.54 H new ATOM 0 HB3 GLU A 133 10.046 -5.991 2.812 1.00 0.54 H new ATOM 0 HG2 GLU A 133 10.694 -3.145 2.107 1.00 0.79 H new ATOM 0 HG3 GLU A 133 10.495 -3.568 3.796 1.00 0.79 H new ATOM 2032 N TYR A 134 7.334 -6.101 0.509 1.00 0.35 N ATOM 2033 CA TYR A 134 6.404 -7.109 0.059 1.00 0.40 C ATOM 2034 C TYR A 134 5.882 -6.788 -1.340 1.00 0.41 C ATOM 2035 O TYR A 134 4.732 -7.070 -1.677 1.00 0.50 O ATOM 2036 CB TYR A 134 5.291 -7.246 1.070 1.00 0.46 C ATOM 2037 CG TYR A 134 5.789 -7.866 2.355 1.00 0.55 C ATOM 2038 CD1 TYR A 134 6.035 -9.228 2.444 1.00 0.98 C ATOM 2039 CD2 TYR A 134 5.969 -7.091 3.492 1.00 0.88 C ATOM 2040 CE1 TYR A 134 6.454 -9.801 3.628 1.00 1.08 C ATOM 2041 CE2 TYR A 134 6.381 -7.657 4.684 1.00 0.95 C ATOM 2042 CZ TYR A 134 6.780 -9.003 4.688 1.00 0.80 C ATOM 2043 OH TYR A 134 7.025 -9.580 5.934 1.00 0.95 O ATOM 0 H TYR A 134 6.907 -5.203 0.736 1.00 0.35 H new ATOM 0 HA TYR A 134 6.914 -8.069 -0.018 1.00 0.40 H new ATOM 0 HB2 TYR A 134 4.864 -6.265 1.279 1.00 0.46 H new ATOM 0 HB3 TYR A 134 4.492 -7.860 0.654 1.00 0.46 H new ATOM 0 HD1 TYR A 134 5.896 -9.851 1.573 1.00 0.98 H new ATOM 0 HD2 TYR A 134 5.784 -6.028 3.445 1.00 0.88 H new ATOM 0 HE1 TYR A 134 6.524 -10.875 3.716 1.00 1.08 H new ATOM 0 HE2 TYR A 134 6.396 -7.075 5.594 1.00 0.95 H new ATOM 0 HH TYR A 134 7.245 -8.878 6.582 1.00 0.95 H new ATOM 2053 N ASN A 135 6.767 -6.182 -2.140 1.00 0.36 N ATOM 2054 CA ASN A 135 6.528 -5.917 -3.560 1.00 0.43 C ATOM 2055 C ASN A 135 5.329 -4.988 -3.777 1.00 0.48 C ATOM 2056 O ASN A 135 4.486 -5.206 -4.650 1.00 0.64 O ATOM 2057 CB ASN A 135 6.348 -7.250 -4.301 1.00 0.58 C ATOM 2058 CG ASN A 135 6.212 -7.120 -5.799 1.00 0.71 C ATOM 2059 OD1 ASN A 135 6.698 -6.167 -6.408 1.00 0.89 O ATOM 2060 ND2 ASN A 135 5.573 -8.102 -6.403 1.00 1.10 N ATOM 0 H ASN A 135 7.678 -5.859 -1.814 1.00 0.36 H new ATOM 0 HA ASN A 135 7.395 -5.396 -3.967 1.00 0.43 H new ATOM 0 HB2 ASN A 135 7.201 -7.892 -4.081 1.00 0.58 H new ATOM 0 HB3 ASN A 135 5.462 -7.752 -3.911 1.00 0.58 H new ATOM 0 HD21 ASN A 135 5.465 -8.092 -7.417 1.00 1.10 H new ATOM 0 HD22 ASN A 135 5.187 -8.872 -5.856 1.00 1.10 H new ATOM 2067 N LEU A 136 5.249 -3.953 -2.962 1.00 0.44 N ATOM 2068 CA LEU A 136 4.236 -2.930 -3.125 1.00 0.54 C ATOM 2069 C LEU A 136 4.855 -1.562 -3.278 1.00 0.41 C ATOM 2070 O LEU A 136 5.189 -0.902 -2.298 1.00 0.47 O ATOM 2071 CB LEU A 136 3.318 -2.949 -1.938 1.00 0.78 C ATOM 2072 CG LEU A 136 2.394 -4.144 -1.883 1.00 0.64 C ATOM 2073 CD1 LEU A 136 1.885 -4.333 -0.471 1.00 1.36 C ATOM 2074 CD2 LEU A 136 1.252 -3.946 -2.864 1.00 1.17 C ATOM 0 H LEU A 136 5.879 -3.799 -2.175 1.00 0.44 H new ATOM 0 HA LEU A 136 3.672 -3.143 -4.033 1.00 0.54 H new ATOM 0 HB2 LEU A 136 3.919 -2.927 -1.029 1.00 0.78 H new ATOM 0 HB3 LEU A 136 2.717 -2.040 -1.944 1.00 0.78 H new ATOM 0 HG LEU A 136 2.935 -5.046 -2.167 1.00 0.64 H new ATOM 0 HD11 LEU A 136 1.219 -5.196 -0.437 1.00 1.36 H new ATOM 0 HD12 LEU A 136 2.728 -4.498 0.201 1.00 1.36 H new ATOM 0 HD13 LEU A 136 1.341 -3.442 -0.158 1.00 1.36 H new ATOM 0 HD21 LEU A 136 0.585 -4.807 -2.825 1.00 1.17 H new ATOM 0 HD22 LEU A 136 0.697 -3.046 -2.600 1.00 1.17 H new ATOM 0 HD23 LEU A 136 1.652 -3.843 -3.872 1.00 1.17 H new ATOM 2086 N VAL A 137 4.990 -1.136 -4.513 1.00 0.31 N ATOM 2087 CA VAL A 137 5.660 0.113 -4.813 1.00 0.27 C ATOM 2088 C VAL A 137 4.657 1.233 -5.045 1.00 0.29 C ATOM 2089 O VAL A 137 3.772 1.128 -5.896 1.00 0.33 O ATOM 2090 CB VAL A 137 6.559 -0.021 -6.042 1.00 0.29 C ATOM 2091 CG1 VAL A 137 7.288 1.292 -6.310 1.00 0.43 C ATOM 2092 CG2 VAL A 137 7.528 -1.173 -5.846 1.00 0.41 C ATOM 0 H VAL A 137 4.644 -1.637 -5.331 1.00 0.31 H new ATOM 0 HA VAL A 137 6.276 0.359 -3.948 1.00 0.27 H new ATOM 0 HB VAL A 137 5.948 -0.240 -6.918 1.00 0.29 H new ATOM 0 HG11 VAL A 137 7.925 1.182 -7.188 1.00 0.43 H new ATOM 0 HG12 VAL A 137 6.559 2.083 -6.487 1.00 0.43 H new ATOM 0 HG13 VAL A 137 7.902 1.550 -5.447 1.00 0.43 H new ATOM 0 HG21 VAL A 137 8.167 -1.265 -6.725 1.00 0.41 H new ATOM 0 HG22 VAL A 137 8.145 -0.984 -4.967 1.00 0.41 H new ATOM 0 HG23 VAL A 137 6.969 -2.098 -5.705 1.00 0.41 H new ATOM 2102 N PRO A 138 4.767 2.290 -4.231 1.00 0.34 N ATOM 2103 CA PRO A 138 4.000 3.513 -4.369 1.00 0.43 C ATOM 2104 C PRO A 138 3.863 3.982 -5.798 1.00 0.43 C ATOM 2105 O PRO A 138 4.795 3.895 -6.601 1.00 0.45 O ATOM 2106 CB PRO A 138 4.829 4.519 -3.587 1.00 0.53 C ATOM 2107 CG PRO A 138 5.496 3.729 -2.528 1.00 0.54 C ATOM 2108 CD PRO A 138 5.626 2.327 -3.051 1.00 0.39 C ATOM 0 HA PRO A 138 2.977 3.379 -4.019 1.00 0.43 H new ATOM 0 HB2 PRO A 138 5.558 5.013 -4.229 1.00 0.53 H new ATOM 0 HB3 PRO A 138 4.201 5.300 -3.159 1.00 0.53 H new ATOM 0 HG2 PRO A 138 6.475 4.146 -2.293 1.00 0.54 H new ATOM 0 HG3 PRO A 138 4.913 3.746 -1.607 1.00 0.54 H new ATOM 0 HD2 PRO A 138 6.660 2.094 -3.306 1.00 0.39 H new ATOM 0 HD3 PRO A 138 5.309 1.596 -2.307 1.00 0.39 H new ATOM 2116 N GLU A 139 2.700 4.507 -6.088 1.00 0.48 N ATOM 2117 CA GLU A 139 2.425 5.079 -7.402 1.00 0.56 C ATOM 2118 C GLU A 139 3.146 6.408 -7.546 1.00 0.56 C ATOM 2119 O GLU A 139 3.300 6.935 -8.644 1.00 0.64 O ATOM 2120 CB GLU A 139 0.926 5.253 -7.636 1.00 0.71 C ATOM 2121 CG GLU A 139 0.218 3.968 -8.030 1.00 1.35 C ATOM 2122 CD GLU A 139 0.663 3.454 -9.382 1.00 2.40 C ATOM 2123 OE1 GLU A 139 1.818 2.999 -9.498 1.00 3.08 O ATOM 2124 OE2 GLU A 139 -0.137 3.517 -10.335 1.00 2.78 O ATOM 0 H GLU A 139 1.918 4.555 -5.435 1.00 0.48 H new ATOM 0 HA GLU A 139 2.794 4.387 -8.159 1.00 0.56 H new ATOM 0 HB2 GLU A 139 0.468 5.646 -6.728 1.00 0.71 H new ATOM 0 HB3 GLU A 139 0.773 5.997 -8.418 1.00 0.71 H new ATOM 0 HG2 GLU A 139 0.408 3.206 -7.274 1.00 1.35 H new ATOM 0 HG3 GLU A 139 -0.858 4.140 -8.046 1.00 1.35 H new ATOM 2131 N GLU A 140 3.577 6.945 -6.415 1.00 0.54 N ATOM 2132 CA GLU A 140 4.462 8.099 -6.397 1.00 0.60 C ATOM 2133 C GLU A 140 5.844 7.713 -6.915 1.00 0.56 C ATOM 2134 O GLU A 140 6.613 8.572 -7.349 1.00 0.65 O ATOM 2135 CB GLU A 140 4.583 8.691 -4.976 1.00 0.67 C ATOM 2136 CG GLU A 140 4.285 7.717 -3.859 1.00 0.63 C ATOM 2137 CD GLU A 140 2.803 7.592 -3.593 1.00 1.12 C ATOM 2138 OE1 GLU A 140 2.225 8.538 -3.018 1.00 1.27 O ATOM 2139 OE2 GLU A 140 2.211 6.566 -3.990 1.00 1.57 O ATOM 0 H GLU A 140 3.325 6.596 -5.490 1.00 0.54 H new ATOM 0 HA GLU A 140 4.031 8.859 -7.049 1.00 0.60 H new ATOM 0 HB2 GLU A 140 5.593 9.078 -4.843 1.00 0.67 H new ATOM 0 HB3 GLU A 140 3.904 9.539 -4.891 1.00 0.67 H new ATOM 0 HG2 GLU A 140 4.691 6.738 -4.115 1.00 0.63 H new ATOM 0 HG3 GLU A 140 4.790 8.044 -2.950 1.00 0.63 H new ATOM 2146 N TRP A 141 6.162 6.418 -6.857 1.00 0.47 N ATOM 2147 CA TRP A 141 7.468 5.940 -7.257 1.00 0.49 C ATOM 2148 C TRP A 141 7.386 5.140 -8.551 1.00 0.51 C ATOM 2149 O TRP A 141 8.388 4.926 -9.229 1.00 0.66 O ATOM 2150 CB TRP A 141 8.062 5.093 -6.149 1.00 0.45 C ATOM 2151 CG TRP A 141 8.149 5.790 -4.816 1.00 0.46 C ATOM 2152 CD1 TRP A 141 7.860 7.094 -4.531 1.00 0.54 C ATOM 2153 CD2 TRP A 141 8.556 5.201 -3.589 1.00 0.44 C ATOM 2154 NE1 TRP A 141 8.056 7.341 -3.196 1.00 0.55 N ATOM 2155 CE2 TRP A 141 8.488 6.192 -2.594 1.00 0.49 C ATOM 2156 CE3 TRP A 141 8.965 3.927 -3.240 1.00 0.45 C ATOM 2157 CZ2 TRP A 141 8.817 5.935 -1.267 1.00 0.52 C ATOM 2158 CZ3 TRP A 141 9.295 3.665 -1.930 1.00 0.50 C ATOM 2159 CH2 TRP A 141 9.220 4.667 -0.951 1.00 0.52 C ATOM 0 H TRP A 141 5.526 5.689 -6.535 1.00 0.47 H new ATOM 0 HA TRP A 141 8.112 6.800 -7.437 1.00 0.49 H new ATOM 0 HB2 TRP A 141 7.461 4.190 -6.036 1.00 0.45 H new ATOM 0 HB3 TRP A 141 9.062 4.776 -6.446 1.00 0.45 H new ATOM 0 HD1 TRP A 141 7.526 7.825 -5.252 1.00 0.54 H new ATOM 0 HE1 TRP A 141 7.904 8.235 -2.729 1.00 0.55 H new ATOM 0 HE3 TRP A 141 9.025 3.148 -3.986 1.00 0.45 H new ATOM 0 HZ2 TRP A 141 8.756 6.708 -0.515 1.00 0.52 H new ATOM 0 HZ3 TRP A 141 9.617 2.672 -1.651 1.00 0.50 H new ATOM 0 HH2 TRP A 141 9.485 4.433 0.069 1.00 0.52 H new ATOM 2170 N GLY A 142 6.184 4.696 -8.882 1.00 0.45 N ATOM 2171 CA GLY A 142 5.971 4.021 -10.143 1.00 0.50 C ATOM 2172 C GLY A 142 5.880 2.514 -10.014 1.00 0.45 C ATOM 2173 O GLY A 142 6.308 1.791 -10.913 1.00 0.53 O ATOM 0 H GLY A 142 5.352 4.791 -8.299 1.00 0.45 H new ATOM 0 HA2 GLY A 142 5.053 4.395 -10.596 1.00 0.50 H new ATOM 0 HA3 GLY A 142 6.786 4.271 -10.822 1.00 0.50 H new ATOM 2177 N GLY A 143 5.348 2.037 -8.894 1.00 0.39 N ATOM 2178 CA GLY A 143 5.093 0.612 -8.749 1.00 0.41 C ATOM 2179 C GLY A 143 3.705 0.235 -9.224 1.00 0.45 C ATOM 2180 O GLY A 143 3.426 0.287 -10.423 1.00 0.60 O ATOM 0 H GLY A 143 5.089 2.606 -8.088 1.00 0.39 H new ATOM 0 HA2 GLY A 143 5.836 0.051 -9.316 1.00 0.41 H new ATOM 0 HA3 GLY A 143 5.209 0.327 -7.703 1.00 0.41 H new ATOM 2184 N ASP A 144 2.836 -0.139 -8.288 1.00 0.40 N ATOM 2185 CA ASP A 144 1.431 -0.381 -8.618 1.00 0.45 C ATOM 2186 C ASP A 144 0.547 -0.342 -7.369 1.00 0.33 C ATOM 2187 O ASP A 144 -0.198 -1.284 -7.040 1.00 0.35 O ATOM 2188 CB ASP A 144 1.251 -1.721 -9.366 1.00 0.64 C ATOM 2189 CG ASP A 144 1.638 -2.950 -8.543 1.00 1.33 C ATOM 2190 OD1 ASP A 144 2.849 -3.182 -8.337 1.00 1.91 O ATOM 2191 OD2 ASP A 144 0.733 -3.710 -8.128 1.00 1.91 O ATOM 0 H ASP A 144 3.074 -0.280 -7.306 1.00 0.40 H new ATOM 0 HA ASP A 144 1.114 0.424 -9.281 1.00 0.45 H new ATOM 0 HB2 ASP A 144 0.210 -1.816 -9.674 1.00 0.64 H new ATOM 0 HB3 ASP A 144 1.852 -1.701 -10.275 1.00 0.64 H new ATOM 2196 N THR A 145 0.563 0.800 -6.715 1.00 0.26 N ATOM 2197 CA THR A 145 -0.234 1.002 -5.525 1.00 0.24 C ATOM 2198 C THR A 145 -0.350 2.480 -5.185 1.00 0.27 C ATOM 2199 O THR A 145 0.658 3.144 -4.942 1.00 0.37 O ATOM 2200 CB THR A 145 0.368 0.274 -4.313 1.00 0.25 C ATOM 2201 OG1 THR A 145 0.359 -1.145 -4.513 1.00 0.30 O ATOM 2202 CG2 THR A 145 -0.408 0.618 -3.060 1.00 0.30 C ATOM 0 H THR A 145 1.123 1.607 -6.990 1.00 0.26 H new ATOM 0 HA THR A 145 -1.221 0.594 -5.741 1.00 0.24 H new ATOM 0 HB THR A 145 1.401 0.602 -4.199 1.00 0.25 H new ATOM 0 HG1 THR A 145 -0.195 -1.362 -5.292 1.00 0.30 H new ATOM 0 HG21 THR A 145 0.027 0.096 -2.208 1.00 0.30 H new ATOM 0 HG22 THR A 145 -0.364 1.694 -2.889 1.00 0.30 H new ATOM 0 HG23 THR A 145 -1.447 0.312 -3.180 1.00 0.30 H new ATOM 2210 N ILE A 146 -1.566 2.998 -5.160 1.00 0.26 N ATOM 2211 CA ILE A 146 -1.781 4.350 -4.703 1.00 0.28 C ATOM 2212 C ILE A 146 -1.606 4.392 -3.193 1.00 0.23 C ATOM 2213 O ILE A 146 -2.424 3.864 -2.438 1.00 0.24 O ATOM 2214 CB ILE A 146 -3.176 4.879 -5.099 1.00 0.36 C ATOM 2215 CG1 ILE A 146 -3.257 5.127 -6.610 1.00 0.53 C ATOM 2216 CG2 ILE A 146 -3.501 6.146 -4.331 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -2.373 6.261 -7.088 1.00 0.63 C ATOM 0 H ILE A 146 -2.410 2.504 -5.449 1.00 0.26 H new ATOM 0 HA ILE A 146 -1.049 4.999 -5.184 1.00 0.28 H new ATOM 0 HB ILE A 146 -3.914 4.120 -4.841 1.00 0.36 H new ATOM 0 HG12 ILE A 146 -2.977 4.214 -7.135 1.00 0.53 H new ATOM 0 HG13 ILE A 146 -4.291 5.345 -6.879 1.00 0.53 H new ATOM 0 HG21 ILE A 146 -4.488 6.505 -4.623 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -3.493 5.935 -3.262 1.00 0.34 H new ATOM 0 HG23 ILE A 146 -2.756 6.909 -4.556 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -2.482 6.378 -8.166 1.00 0.63 H new ATOM 0 HD12 ILE A 146 -2.667 7.186 -6.591 1.00 0.63 H new ATOM 0 HD13 ILE A 146 -1.333 6.036 -6.851 1.00 0.63 H new ATOM 2229 N PHE A 147 -0.500 4.962 -2.774 1.00 0.25 N ATOM 2230 CA PHE A 147 -0.183 5.084 -1.368 1.00 0.30 C ATOM 2231 C PHE A 147 -0.753 6.372 -0.794 1.00 0.32 C ATOM 2232 O PHE A 147 -0.376 7.463 -1.203 1.00 0.50 O ATOM 2233 CB PHE A 147 1.326 5.070 -1.185 1.00 0.41 C ATOM 2234 CG PHE A 147 1.910 3.701 -1.036 1.00 0.33 C ATOM 2235 CD1 PHE A 147 1.955 2.837 -2.112 1.00 0.32 C ATOM 2236 CD2 PHE A 147 2.400 3.274 0.177 1.00 0.37 C ATOM 2237 CE1 PHE A 147 2.483 1.570 -1.976 1.00 0.33 C ATOM 2238 CE2 PHE A 147 2.927 2.007 0.322 1.00 0.36 C ATOM 2239 CZ PHE A 147 3.017 1.173 -0.766 1.00 0.33 C ATOM 0 H PHE A 147 0.206 5.354 -3.397 1.00 0.25 H new ATOM 0 HA PHE A 147 -0.629 4.242 -0.838 1.00 0.30 H new ATOM 0 HB2 PHE A 147 1.790 5.560 -2.041 1.00 0.41 H new ATOM 0 HB3 PHE A 147 1.580 5.660 -0.304 1.00 0.41 H new ATOM 0 HD1 PHE A 147 1.573 3.157 -3.070 1.00 0.32 H new ATOM 0 HD2 PHE A 147 2.372 3.940 1.027 1.00 0.37 H new ATOM 0 HE1 PHE A 147 2.479 0.889 -2.815 1.00 0.33 H new ATOM 0 HE2 PHE A 147 3.268 1.671 1.290 1.00 0.36 H new ATOM 0 HZ PHE A 147 3.503 0.213 -0.675 1.00 0.33 H new ATOM 2249 N CYS A 148 -1.661 6.240 0.141 1.00 0.26 N ATOM 2250 CA CYS A 148 -2.224 7.385 0.831 1.00 0.27 C ATOM 2251 C CYS A 148 -1.584 7.520 2.206 1.00 0.31 C ATOM 2252 O CYS A 148 -1.730 6.649 3.047 1.00 0.53 O ATOM 2253 CB CYS A 148 -3.731 7.216 0.959 1.00 0.30 C ATOM 2254 SG CYS A 148 -4.588 7.066 -0.626 1.00 0.68 S ATOM 0 H CYS A 148 -2.033 5.341 0.448 1.00 0.26 H new ATOM 0 HA CYS A 148 -2.021 8.291 0.260 1.00 0.27 H new ATOM 0 HB2 CYS A 148 -3.938 6.329 1.558 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -4.138 8.069 1.502 1.00 0.30 H new ATOM 0 HG CYS A 148 -5.451 8.031 -0.745 1.00 0.68 H new ATOM 2260 N LYS A 149 -0.867 8.604 2.422 1.00 0.29 N ATOM 2261 CA LYS A 149 -0.147 8.823 3.676 1.00 0.28 C ATOM 2262 C LYS A 149 -1.019 9.659 4.610 1.00 0.28 C ATOM 2263 O LYS A 149 -0.890 10.879 4.662 1.00 0.40 O ATOM 2264 CB LYS A 149 1.181 9.528 3.363 1.00 0.36 C ATOM 2265 CG LYS A 149 1.922 8.865 2.205 1.00 0.56 C ATOM 2266 CD LYS A 149 3.058 9.721 1.660 1.00 0.89 C ATOM 2267 CE LYS A 149 4.309 9.635 2.520 1.00 1.01 C ATOM 2268 NZ LYS A 149 5.458 10.348 1.897 1.00 1.44 N ATOM 0 H LYS A 149 -0.762 9.358 1.743 1.00 0.29 H new ATOM 0 HA LYS A 149 0.072 7.878 4.172 1.00 0.28 H new ATOM 0 HB2 LYS A 149 0.988 10.573 3.119 1.00 0.36 H new ATOM 0 HB3 LYS A 149 1.814 9.520 4.250 1.00 0.36 H new ATOM 0 HG2 LYS A 149 2.323 7.907 2.538 1.00 0.56 H new ATOM 0 HG3 LYS A 149 1.216 8.653 1.402 1.00 0.56 H new ATOM 0 HD2 LYS A 149 3.295 9.403 0.645 1.00 0.89 H new ATOM 0 HD3 LYS A 149 2.731 10.759 1.600 1.00 0.89 H new ATOM 0 HE2 LYS A 149 4.105 10.062 3.502 1.00 1.01 H new ATOM 0 HE3 LYS A 149 4.572 8.589 2.676 1.00 1.01 H new ATOM 0 HZ1 LYS A 149 6.191 10.519 2.615 1.00 1.44 H new ATOM 0 HZ2 LYS A 149 5.853 9.767 1.130 1.00 1.44 H new ATOM 0 HZ3 LYS A 149 5.134 11.257 1.510 1.00 1.44 H new ATOM 2282 N LEU A 150 -1.906 8.994 5.351 1.00 0.21 N ATOM 2283 CA LEU A 150 -3.004 9.676 6.011 1.00 0.22 C ATOM 2284 C LEU A 150 -3.014 9.475 7.523 1.00 0.19 C ATOM 2285 O LEU A 150 -2.147 8.838 8.113 1.00 0.17 O ATOM 2286 CB LEU A 150 -4.327 9.196 5.403 1.00 0.25 C ATOM 2287 CG LEU A 150 -4.728 7.754 5.682 1.00 0.26 C ATOM 2288 CD1 LEU A 150 -5.630 7.655 6.901 1.00 0.79 C ATOM 2289 CD2 LEU A 150 -5.402 7.146 4.463 1.00 0.84 C ATOM 0 H LEU A 150 -1.880 7.986 5.505 1.00 0.21 H new ATOM 0 HA LEU A 150 -2.872 10.746 5.847 1.00 0.22 H new ATOM 0 HB2 LEU A 150 -5.123 9.846 5.766 1.00 0.25 H new ATOM 0 HB3 LEU A 150 -4.273 9.331 4.323 1.00 0.25 H new ATOM 0 HG LEU A 150 -3.821 7.189 5.897 1.00 0.26 H new ATOM 0 HD11 LEU A 150 -5.898 6.612 7.072 1.00 0.79 H new ATOM 0 HD12 LEU A 150 -5.105 8.043 7.774 1.00 0.79 H new ATOM 0 HD13 LEU A 150 -6.535 8.239 6.732 1.00 0.79 H new ATOM 0 HD21 LEU A 150 -5.683 6.115 4.679 1.00 0.84 H new ATOM 0 HD22 LEU A 150 -6.295 7.721 4.216 1.00 0.84 H new ATOM 0 HD23 LEU A 150 -4.713 7.165 3.619 1.00 0.84 H new ATOM 2301 N SER A 151 -4.034 10.032 8.117 1.00 0.26 N ATOM 2302 CA SER A 151 -4.252 10.008 9.537 1.00 0.29 C ATOM 2303 C SER A 151 -5.746 10.029 9.791 1.00 0.25 C ATOM 2304 O SER A 151 -6.409 11.045 9.554 1.00 0.29 O ATOM 2305 CB SER A 151 -3.622 11.240 10.140 1.00 0.46 C ATOM 2306 OG SER A 151 -3.678 12.324 9.226 1.00 1.77 O ATOM 0 H SER A 151 -4.762 10.533 7.607 1.00 0.26 H new ATOM 0 HA SER A 151 -3.813 9.115 9.981 1.00 0.29 H new ATOM 0 HB2 SER A 151 -4.139 11.506 11.062 1.00 0.46 H new ATOM 0 HB3 SER A 151 -2.585 11.033 10.405 1.00 0.46 H new ATOM 0 HG SER A 151 -3.779 13.164 9.721 1.00 1.77 H new ATOM 2312 N ALA A 152 -6.292 8.920 10.233 1.00 0.28 N ATOM 2313 CA ALA A 152 -7.705 8.868 10.535 1.00 0.31 C ATOM 2314 C ALA A 152 -7.976 9.559 11.856 1.00 0.33 C ATOM 2315 O ALA A 152 -9.116 9.890 12.180 1.00 0.41 O ATOM 2316 CB ALA A 152 -8.189 7.439 10.555 1.00 0.41 C ATOM 0 H ALA A 152 -5.786 8.049 10.391 1.00 0.28 H new ATOM 0 HA ALA A 152 -8.256 9.393 9.755 1.00 0.31 H new ATOM 0 HB1 ALA A 152 -9.255 7.419 10.784 1.00 0.41 H new ATOM 0 HB2 ALA A 152 -8.019 6.984 9.579 1.00 0.41 H new ATOM 0 HB3 ALA A 152 -7.644 6.881 11.316 1.00 0.41 H new ATOM 2322 N LYS A 153 -6.913 9.781 12.620 1.00 0.30 N ATOM 2323 CA LYS A 153 -7.045 10.498 13.877 1.00 0.34 C ATOM 2324 C LYS A 153 -7.203 11.999 13.649 1.00 0.36 C ATOM 2325 O LYS A 153 -8.141 12.600 14.168 1.00 0.49 O ATOM 2326 CB LYS A 153 -5.879 10.222 14.804 1.00 0.35 C ATOM 2327 CG LYS A 153 -6.301 9.643 16.140 1.00 0.60 C ATOM 2328 CD LYS A 153 -7.215 10.597 16.893 1.00 1.12 C ATOM 2329 CE LYS A 153 -7.761 9.973 18.167 1.00 1.65 C ATOM 2330 NZ LYS A 153 -6.700 9.716 19.179 1.00 2.30 N ATOM 0 H LYS A 153 -5.965 9.479 12.394 1.00 0.30 H new ATOM 0 HA LYS A 153 -7.951 10.130 14.359 1.00 0.34 H new ATOM 0 HB2 LYS A 153 -5.192 9.530 14.317 1.00 0.35 H new ATOM 0 HB3 LYS A 153 -5.331 11.149 14.974 1.00 0.35 H new ATOM 0 HG2 LYS A 153 -6.814 8.694 15.982 1.00 0.60 H new ATOM 0 HG3 LYS A 153 -5.417 9.431 16.742 1.00 0.60 H new ATOM 0 HD2 LYS A 153 -6.666 11.506 17.140 1.00 1.12 H new ATOM 0 HD3 LYS A 153 -8.044 10.890 16.248 1.00 1.12 H new ATOM 0 HE2 LYS A 153 -8.515 10.633 18.596 1.00 1.65 H new ATOM 0 HE3 LYS A 153 -8.260 9.035 17.923 1.00 1.65 H new ATOM 0 HZ1 LYS A 153 -7.128 9.306 20.034 1.00 2.30 H new ATOM 0 HZ2 LYS A 153 -6.002 9.052 18.789 1.00 2.30 H new ATOM 0 HZ3 LYS A 153 -6.228 10.610 19.422 1.00 2.30 H new ATOM 2344 N THR A 154 -6.312 12.612 12.867 1.00 0.30 N ATOM 2345 CA THR A 154 -6.440 14.040 12.594 1.00 0.39 C ATOM 2346 C THR A 154 -7.491 14.307 11.528 1.00 0.36 C ATOM 2347 O THR A 154 -7.863 15.457 11.278 1.00 0.41 O ATOM 2348 CB THR A 154 -5.106 14.668 12.171 1.00 0.47 C ATOM 2349 OG1 THR A 154 -4.290 13.679 11.549 1.00 0.50 O ATOM 2350 CG2 THR A 154 -4.381 15.262 13.368 1.00 0.70 C ATOM 0 H THR A 154 -5.515 12.155 12.423 1.00 0.30 H new ATOM 0 HA THR A 154 -6.755 14.505 13.528 1.00 0.39 H new ATOM 0 HB THR A 154 -5.309 15.472 11.464 1.00 0.47 H new ATOM 0 HG1 THR A 154 -3.415 14.064 11.335 1.00 0.50 H new ATOM 0 HG21 THR A 154 -3.438 15.701 13.041 1.00 0.70 H new ATOM 0 HG22 THR A 154 -5.002 16.034 13.823 1.00 0.70 H new ATOM 0 HG23 THR A 154 -4.182 14.478 14.099 1.00 0.70 H new ATOM 2358 N LYS A 155 -7.953 13.224 10.898 1.00 0.30 N ATOM 2359 CA LYS A 155 -9.026 13.285 9.908 1.00 0.32 C ATOM 2360 C LYS A 155 -8.569 14.031 8.681 1.00 0.34 C ATOM 2361 O LYS A 155 -9.290 14.846 8.110 1.00 0.41 O ATOM 2362 CB LYS A 155 -10.277 13.938 10.491 1.00 0.38 C ATOM 2363 CG LYS A 155 -11.025 13.037 11.444 1.00 0.40 C ATOM 2364 CD LYS A 155 -11.364 11.720 10.777 1.00 0.45 C ATOM 2365 CE LYS A 155 -12.407 10.951 11.572 1.00 0.61 C ATOM 2366 NZ LYS A 155 -13.527 11.828 12.003 1.00 1.36 N ATOM 0 H LYS A 155 -7.593 12.283 11.061 1.00 0.30 H new ATOM 0 HA LYS A 155 -9.279 12.264 9.624 1.00 0.32 H new ATOM 0 HB2 LYS A 155 -9.993 14.853 11.012 1.00 0.38 H new ATOM 0 HB3 LYS A 155 -10.941 14.228 9.677 1.00 0.38 H new ATOM 0 HG2 LYS A 155 -10.420 12.856 12.332 1.00 0.40 H new ATOM 0 HG3 LYS A 155 -11.939 13.529 11.776 1.00 0.40 H new ATOM 0 HD2 LYS A 155 -11.736 11.905 9.769 1.00 0.45 H new ATOM 0 HD3 LYS A 155 -10.461 11.117 10.678 1.00 0.45 H new ATOM 0 HE2 LYS A 155 -12.797 10.134 10.965 1.00 0.61 H new ATOM 0 HE3 LYS A 155 -11.939 10.502 12.448 1.00 0.61 H new ATOM 0 HZ1 LYS A 155 -14.413 11.284 12.003 1.00 1.36 H new ATOM 0 HZ2 LYS A 155 -13.339 12.185 12.962 1.00 1.36 H new ATOM 0 HZ3 LYS A 155 -13.613 12.629 11.346 1.00 1.36 H new ATOM 2380 N GLU A 156 -7.366 13.715 8.269 1.00 0.30 N ATOM 2381 CA GLU A 156 -6.721 14.428 7.196 1.00 0.33 C ATOM 2382 C GLU A 156 -6.733 13.581 5.929 1.00 0.28 C ATOM 2383 O GLU A 156 -7.381 13.907 4.921 1.00 0.30 O ATOM 2384 CB GLU A 156 -5.294 14.772 7.652 1.00 0.40 C ATOM 2385 CG GLU A 156 -4.260 14.730 6.555 1.00 1.30 C ATOM 2386 CD GLU A 156 -2.888 15.187 7.006 1.00 1.70 C ATOM 2387 OE1 GLU A 156 -2.090 14.343 7.461 1.00 2.48 O ATOM 2388 OE2 GLU A 156 -2.599 16.398 6.904 1.00 1.52 O ATOM 0 H GLU A 156 -6.809 12.959 8.667 1.00 0.30 H new ATOM 0 HA GLU A 156 -7.249 15.352 6.961 1.00 0.33 H new ATOM 0 HB2 GLU A 156 -5.297 15.769 8.093 1.00 0.40 H new ATOM 0 HB3 GLU A 156 -5.000 14.077 8.438 1.00 0.40 H new ATOM 0 HG2 GLU A 156 -4.188 13.712 6.172 1.00 1.30 H new ATOM 0 HG3 GLU A 156 -4.591 15.359 5.729 1.00 1.30 H new ATOM 2395 N GLY A 157 -6.065 12.456 6.010 1.00 0.29 N ATOM 2396 CA GLY A 157 -5.910 11.621 4.864 1.00 0.28 C ATOM 2397 C GLY A 157 -7.138 10.799 4.549 1.00 0.27 C ATOM 2398 O GLY A 157 -7.201 10.184 3.495 1.00 0.29 O ATOM 0 H GLY A 157 -5.624 12.106 6.860 1.00 0.29 H new ATOM 0 HA2 GLY A 157 -5.667 12.242 4.002 1.00 0.28 H new ATOM 0 HA3 GLY A 157 -5.065 10.951 5.023 1.00 0.28 H new ATOM 2402 N LEU A 158 -8.112 10.767 5.458 1.00 0.26 N ATOM 2403 CA LEU A 158 -9.334 10.021 5.212 1.00 0.28 C ATOM 2404 C LEU A 158 -10.118 10.663 4.090 1.00 0.30 C ATOM 2405 O LEU A 158 -10.674 9.984 3.225 1.00 0.33 O ATOM 2406 CB LEU A 158 -10.200 9.942 6.468 1.00 0.31 C ATOM 2407 CG LEU A 158 -9.730 8.942 7.518 1.00 0.47 C ATOM 2408 CD1 LEU A 158 -10.729 8.869 8.661 1.00 0.73 C ATOM 2409 CD2 LEU A 158 -9.541 7.567 6.893 1.00 0.80 C ATOM 0 H LEU A 158 -8.075 11.244 6.359 1.00 0.26 H new ATOM 0 HA LEU A 158 -9.055 9.007 4.927 1.00 0.28 H new ATOM 0 HB2 LEU A 158 -10.242 10.931 6.924 1.00 0.31 H new ATOM 0 HB3 LEU A 158 -11.217 9.684 6.173 1.00 0.31 H new ATOM 0 HG LEU A 158 -8.772 9.278 7.914 1.00 0.47 H new ATOM 0 HD11 LEU A 158 -10.381 8.151 9.403 1.00 0.73 H new ATOM 0 HD12 LEU A 158 -10.825 9.851 9.123 1.00 0.73 H new ATOM 0 HD13 LEU A 158 -11.699 8.552 8.277 1.00 0.73 H new ATOM 0 HD21 LEU A 158 -9.205 6.864 7.655 1.00 0.80 H new ATOM 0 HD22 LEU A 158 -10.487 7.224 6.475 1.00 0.80 H new ATOM 0 HD23 LEU A 158 -8.795 7.627 6.101 1.00 0.80 H new ATOM 2421 N ASP A 159 -10.137 11.986 4.096 1.00 0.32 N ATOM 2422 CA ASP A 159 -10.830 12.720 3.065 1.00 0.38 C ATOM 2423 C ASP A 159 -10.038 12.638 1.769 1.00 0.32 C ATOM 2424 O ASP A 159 -10.606 12.497 0.682 1.00 0.33 O ATOM 2425 CB ASP A 159 -11.037 14.178 3.477 1.00 0.50 C ATOM 2426 CG ASP A 159 -12.263 14.782 2.825 1.00 1.25 C ATOM 2427 OD1 ASP A 159 -12.161 15.209 1.652 1.00 1.42 O ATOM 2428 OD2 ASP A 159 -13.325 14.853 3.476 1.00 2.20 O ATOM 0 H ASP A 159 -9.682 12.565 4.801 1.00 0.32 H new ATOM 0 HA ASP A 159 -11.814 12.276 2.915 1.00 0.38 H new ATOM 0 HB2 ASP A 159 -11.136 14.238 4.561 1.00 0.50 H new ATOM 0 HB3 ASP A 159 -10.157 14.760 3.204 1.00 0.50 H new ATOM 2433 N HIS A 160 -8.711 12.688 1.901 1.00 0.30 N ATOM 2434 CA HIS A 160 -7.822 12.549 0.750 1.00 0.30 C ATOM 2435 C HIS A 160 -7.834 11.110 0.211 1.00 0.28 C ATOM 2436 O HIS A 160 -7.469 10.864 -0.940 1.00 0.33 O ATOM 2437 CB HIS A 160 -6.398 12.965 1.139 1.00 0.34 C ATOM 2438 CG HIS A 160 -5.411 12.890 0.016 1.00 0.41 C ATOM 2439 ND1 HIS A 160 -5.339 13.836 -0.984 1.00 0.52 N ATOM 2440 CD2 HIS A 160 -4.456 11.972 -0.265 1.00 0.46 C ATOM 2441 CE1 HIS A 160 -4.385 13.500 -1.832 1.00 0.58 C ATOM 2442 NE2 HIS A 160 -3.835 12.376 -1.418 1.00 0.54 N ATOM 0 H HIS A 160 -8.231 12.823 2.791 1.00 0.30 H new ATOM 0 HA HIS A 160 -8.181 13.204 -0.044 1.00 0.30 H new ATOM 0 HB2 HIS A 160 -6.421 13.986 1.521 1.00 0.34 H new ATOM 0 HB3 HIS A 160 -6.054 12.327 1.954 1.00 0.34 H new ATOM 0 HD2 HIS A 160 -4.227 11.088 0.311 1.00 0.46 H new ATOM 0 HE1 HIS A 160 -4.103 14.053 -2.716 1.00 0.58 H new ATOM 0 HE2 HIS A 160 -3.070 11.886 -1.881 1.00 0.54 H new ATOM 2451 N LEU A 161 -8.249 10.168 1.049 1.00 0.27 N ATOM 2452 CA LEU A 161 -8.313 8.759 0.666 1.00 0.28 C ATOM 2453 C LEU A 161 -9.355 8.568 -0.415 1.00 0.29 C ATOM 2454 O LEU A 161 -9.072 8.032 -1.484 1.00 0.31 O ATOM 2455 CB LEU A 161 -8.671 7.899 1.881 1.00 0.29 C ATOM 2456 CG LEU A 161 -8.715 6.388 1.637 1.00 0.57 C ATOM 2457 CD1 LEU A 161 -7.344 5.865 1.239 1.00 1.15 C ATOM 2458 CD2 LEU A 161 -9.226 5.666 2.876 1.00 1.16 C ATOM 0 H LEU A 161 -8.549 10.354 2.006 1.00 0.27 H new ATOM 0 HA LEU A 161 -7.338 8.453 0.287 1.00 0.28 H new ATOM 0 HB2 LEU A 161 -7.947 8.100 2.671 1.00 0.29 H new ATOM 0 HB3 LEU A 161 -9.645 8.217 2.253 1.00 0.29 H new ATOM 0 HG LEU A 161 -9.403 6.193 0.814 1.00 0.57 H new ATOM 0 HD11 LEU A 161 -7.400 4.789 1.071 1.00 1.15 H new ATOM 0 HD12 LEU A 161 -7.018 6.359 0.324 1.00 1.15 H new ATOM 0 HD13 LEU A 161 -6.630 6.071 2.037 1.00 1.15 H new ATOM 0 HD21 LEU A 161 -9.252 4.593 2.687 1.00 1.16 H new ATOM 0 HD22 LEU A 161 -8.562 5.871 3.716 1.00 1.16 H new ATOM 0 HD23 LEU A 161 -10.230 6.017 3.113 1.00 1.16 H new ATOM 2470 N LEU A 162 -10.558 9.029 -0.121 1.00 0.31 N ATOM 2471 CA LEU A 162 -11.674 8.944 -1.050 1.00 0.37 C ATOM 2472 C LEU A 162 -11.311 9.607 -2.368 1.00 0.38 C ATOM 2473 O LEU A 162 -11.681 9.125 -3.438 1.00 0.45 O ATOM 2474 CB LEU A 162 -12.901 9.630 -0.455 1.00 0.47 C ATOM 2475 CG LEU A 162 -13.096 9.402 1.042 1.00 0.85 C ATOM 2476 CD1 LEU A 162 -14.315 10.159 1.543 1.00 1.49 C ATOM 2477 CD2 LEU A 162 -13.224 7.918 1.356 1.00 1.51 C ATOM 0 H LEU A 162 -10.790 9.473 0.768 1.00 0.31 H new ATOM 0 HA LEU A 162 -11.899 7.893 -1.229 1.00 0.37 H new ATOM 0 HB2 LEU A 162 -12.826 10.702 -0.639 1.00 0.47 H new ATOM 0 HB3 LEU A 162 -13.788 9.278 -0.981 1.00 0.47 H new ATOM 0 HG LEU A 162 -12.215 9.782 1.559 1.00 0.85 H new ATOM 0 HD11 LEU A 162 -14.438 9.984 2.612 1.00 1.49 H new ATOM 0 HD12 LEU A 162 -14.180 11.226 1.363 1.00 1.49 H new ATOM 0 HD13 LEU A 162 -15.202 9.811 1.014 1.00 1.49 H new ATOM 0 HD21 LEU A 162 -13.362 7.784 2.429 1.00 1.51 H new ATOM 0 HD22 LEU A 162 -14.083 7.507 0.825 1.00 1.51 H new ATOM 0 HD23 LEU A 162 -12.319 7.400 1.039 1.00 1.51 H new ATOM 2489 N GLU A 163 -10.587 10.718 -2.268 1.00 0.37 N ATOM 2490 CA GLU A 163 -10.076 11.421 -3.448 1.00 0.44 C ATOM 2491 C GLU A 163 -9.321 10.468 -4.366 1.00 0.41 C ATOM 2492 O GLU A 163 -9.600 10.378 -5.561 1.00 0.50 O ATOM 2493 CB GLU A 163 -9.134 12.558 -3.047 1.00 0.56 C ATOM 2494 CG GLU A 163 -9.805 13.715 -2.329 1.00 1.03 C ATOM 2495 CD GLU A 163 -8.836 14.850 -2.068 1.00 1.78 C ATOM 2496 OE1 GLU A 163 -8.291 15.414 -3.038 1.00 2.14 O ATOM 2497 OE2 GLU A 163 -8.631 15.196 -0.885 1.00 2.57 O ATOM 0 H GLU A 163 -10.339 11.155 -1.380 1.00 0.37 H new ATOM 0 HA GLU A 163 -10.939 11.831 -3.974 1.00 0.44 H new ATOM 0 HB2 GLU A 163 -8.352 12.154 -2.404 1.00 0.56 H new ATOM 0 HB3 GLU A 163 -8.645 12.939 -3.943 1.00 0.56 H new ATOM 0 HG2 GLU A 163 -10.640 14.080 -2.927 1.00 1.03 H new ATOM 0 HG3 GLU A 163 -10.219 13.365 -1.383 1.00 1.03 H new ATOM 2504 N MET A 164 -8.361 9.753 -3.797 1.00 0.37 N ATOM 2505 CA MET A 164 -7.532 8.842 -4.576 1.00 0.39 C ATOM 2506 C MET A 164 -8.346 7.645 -5.040 1.00 0.37 C ATOM 2507 O MET A 164 -8.133 7.122 -6.134 1.00 0.43 O ATOM 2508 CB MET A 164 -6.329 8.377 -3.753 1.00 0.43 C ATOM 2509 CG MET A 164 -5.389 9.494 -3.316 1.00 0.64 C ATOM 2510 SD MET A 164 -4.477 10.258 -4.684 1.00 0.58 S ATOM 2511 CE MET A 164 -5.719 11.322 -5.420 1.00 0.53 C ATOM 0 H MET A 164 -8.137 9.785 -2.802 1.00 0.37 H new ATOM 0 HA MET A 164 -7.168 9.376 -5.454 1.00 0.39 H new ATOM 0 HB2 MET A 164 -6.691 7.857 -2.866 1.00 0.43 H new ATOM 0 HB3 MET A 164 -5.763 7.652 -4.338 1.00 0.43 H new ATOM 0 HG2 MET A 164 -5.967 10.263 -2.802 1.00 0.64 H new ATOM 0 HG3 MET A 164 -4.676 9.095 -2.594 1.00 0.64 H new ATOM 0 HE1 MET A 164 -5.237 12.199 -5.852 1.00 0.53 H new ATOM 0 HE2 MET A 164 -6.248 10.777 -6.202 1.00 0.53 H new ATOM 0 HE3 MET A 164 -6.428 11.637 -4.654 1.00 0.53 H new ATOM 2521 N ILE A 165 -9.286 7.219 -4.205 1.00 0.34 N ATOM 2522 CA ILE A 165 -10.167 6.116 -4.547 1.00 0.38 C ATOM 2523 C ILE A 165 -10.997 6.437 -5.785 1.00 0.44 C ATOM 2524 O ILE A 165 -11.021 5.660 -6.737 1.00 0.52 O ATOM 2525 CB ILE A 165 -11.122 5.762 -3.388 1.00 0.40 C ATOM 2526 CG1 ILE A 165 -10.332 5.226 -2.186 1.00 0.42 C ATOM 2527 CG2 ILE A 165 -12.151 4.743 -3.853 1.00 0.50 C ATOM 2528 CD1 ILE A 165 -11.194 4.944 -0.970 1.00 0.50 C ATOM 0 H ILE A 165 -9.456 7.624 -3.284 1.00 0.34 H new ATOM 0 HA ILE A 165 -9.523 5.260 -4.749 1.00 0.38 H new ATOM 0 HB ILE A 165 -11.645 6.666 -3.075 1.00 0.40 H new ATOM 0 HG12 ILE A 165 -9.819 4.309 -2.478 1.00 0.42 H new ATOM 0 HG13 ILE A 165 -9.563 5.949 -1.916 1.00 0.42 H new ATOM 0 HG21 ILE A 165 -12.820 4.499 -3.028 1.00 0.50 H new ATOM 0 HG22 ILE A 165 -12.729 5.160 -4.678 1.00 0.50 H new ATOM 0 HG23 ILE A 165 -11.642 3.839 -4.187 1.00 0.50 H new ATOM 0 HD11 ILE A 165 -10.569 4.568 -0.160 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -11.686 5.863 -0.652 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -11.947 4.198 -1.223 1.00 0.50 H new ATOM 2540 N LEU A 166 -11.672 7.585 -5.777 1.00 0.46 N ATOM 2541 CA LEU A 166 -12.543 7.952 -6.886 1.00 0.57 C ATOM 2542 C LEU A 166 -11.745 8.190 -8.154 1.00 0.61 C ATOM 2543 O LEU A 166 -12.222 7.922 -9.252 1.00 0.70 O ATOM 2544 CB LEU A 166 -13.401 9.179 -6.547 1.00 0.66 C ATOM 2545 CG LEU A 166 -12.657 10.445 -6.102 1.00 1.07 C ATOM 2546 CD1 LEU A 166 -12.257 11.297 -7.299 1.00 1.73 C ATOM 2547 CD2 LEU A 166 -13.521 11.251 -5.146 1.00 1.38 C ATOM 0 H LEU A 166 -11.632 8.269 -5.022 1.00 0.46 H new ATOM 0 HA LEU A 166 -13.216 7.113 -7.060 1.00 0.57 H new ATOM 0 HB2 LEU A 166 -13.999 9.428 -7.424 1.00 0.66 H new ATOM 0 HB3 LEU A 166 -14.096 8.899 -5.756 1.00 0.66 H new ATOM 0 HG LEU A 166 -11.746 10.140 -5.587 1.00 1.07 H new ATOM 0 HD11 LEU A 166 -11.732 12.187 -6.953 1.00 1.73 H new ATOM 0 HD12 LEU A 166 -11.603 10.721 -7.953 1.00 1.73 H new ATOM 0 HD13 LEU A 166 -13.150 11.594 -7.849 1.00 1.73 H new ATOM 0 HD21 LEU A 166 -12.983 12.147 -4.837 1.00 1.38 H new ATOM 0 HD22 LEU A 166 -14.446 11.538 -5.646 1.00 1.38 H new ATOM 0 HD23 LEU A 166 -13.754 10.647 -4.269 1.00 1.38 H new ATOM 2559 N LEU A 167 -10.540 8.700 -7.989 1.00 0.56 N ATOM 2560 CA LEU A 167 -9.617 8.838 -9.103 1.00 0.64 C ATOM 2561 C LEU A 167 -9.448 7.498 -9.794 1.00 0.66 C ATOM 2562 O LEU A 167 -9.613 7.385 -11.004 1.00 0.75 O ATOM 2563 CB LEU A 167 -8.258 9.342 -8.618 1.00 0.64 C ATOM 2564 CG LEU A 167 -7.263 9.707 -9.720 1.00 0.81 C ATOM 2565 CD1 LEU A 167 -7.797 10.852 -10.568 1.00 1.47 C ATOM 2566 CD2 LEU A 167 -5.914 10.072 -9.121 1.00 1.51 C ATOM 0 H LEU A 167 -10.175 9.026 -7.094 1.00 0.56 H new ATOM 0 HA LEU A 167 -10.026 9.564 -9.806 1.00 0.64 H new ATOM 0 HB2 LEU A 167 -8.417 10.219 -7.991 1.00 0.64 H new ATOM 0 HB3 LEU A 167 -7.809 8.575 -7.986 1.00 0.64 H new ATOM 0 HG LEU A 167 -7.131 8.837 -10.363 1.00 0.81 H new ATOM 0 HD11 LEU A 167 -7.074 11.096 -11.346 1.00 1.47 H new ATOM 0 HD12 LEU A 167 -8.739 10.555 -11.028 1.00 1.47 H new ATOM 0 HD13 LEU A 167 -7.961 11.726 -9.938 1.00 1.47 H new ATOM 0 HD21 LEU A 167 -5.219 10.329 -9.920 1.00 1.51 H new ATOM 0 HD22 LEU A 167 -6.031 10.926 -8.454 1.00 1.51 H new ATOM 0 HD23 LEU A 167 -5.524 9.223 -8.559 1.00 1.51 H new ATOM 2578 N VAL A 168 -9.145 6.480 -9.007 1.00 0.61 N ATOM 2579 CA VAL A 168 -9.030 5.129 -9.511 1.00 0.69 C ATOM 2580 C VAL A 168 -10.385 4.619 -10.015 1.00 0.77 C ATOM 2581 O VAL A 168 -10.456 3.965 -11.057 1.00 0.89 O ATOM 2582 CB VAL A 168 -8.481 4.181 -8.427 1.00 0.68 C ATOM 2583 CG1 VAL A 168 -8.335 2.781 -8.972 1.00 0.84 C ATOM 2584 CG2 VAL A 168 -7.148 4.681 -7.897 1.00 0.66 C ATOM 0 H VAL A 168 -8.973 6.569 -8.006 1.00 0.61 H new ATOM 0 HA VAL A 168 -8.329 5.145 -10.346 1.00 0.69 H new ATOM 0 HB VAL A 168 -9.193 4.162 -7.602 1.00 0.68 H new ATOM 0 HG11 VAL A 168 -7.946 2.126 -8.192 1.00 0.84 H new ATOM 0 HG12 VAL A 168 -9.308 2.416 -9.301 1.00 0.84 H new ATOM 0 HG13 VAL A 168 -7.646 2.789 -9.816 1.00 0.84 H new ATOM 0 HG21 VAL A 168 -6.780 3.996 -7.133 1.00 0.66 H new ATOM 0 HG22 VAL A 168 -6.428 4.734 -8.714 1.00 0.66 H new ATOM 0 HG23 VAL A 168 -7.278 5.672 -7.463 1.00 0.66 H new ATOM 2594 N SER A 169 -11.454 4.945 -9.290 1.00 0.74 N ATOM 2595 CA SER A 169 -12.803 4.539 -9.677 1.00 0.87 C ATOM 2596 C SER A 169 -13.211 5.133 -11.031 1.00 0.96 C ATOM 2597 O SER A 169 -14.125 4.631 -11.679 1.00 1.12 O ATOM 2598 CB SER A 169 -13.805 4.953 -8.594 1.00 0.88 C ATOM 2599 OG SER A 169 -15.118 4.515 -8.906 1.00 1.35 O ATOM 0 H SER A 169 -11.411 5.491 -8.429 1.00 0.74 H new ATOM 0 HA SER A 169 -12.807 3.454 -9.780 1.00 0.87 H new ATOM 0 HB2 SER A 169 -13.499 4.535 -7.635 1.00 0.88 H new ATOM 0 HB3 SER A 169 -13.798 6.038 -8.486 1.00 0.88 H new ATOM 0 HG SER A 169 -15.733 4.793 -8.196 1.00 1.35 H new ATOM 2605 N GLU A 170 -12.560 6.213 -11.448 1.00 0.96 N ATOM 2606 CA GLU A 170 -12.841 6.799 -12.751 1.00 1.11 C ATOM 2607 C GLU A 170 -11.733 6.482 -13.751 1.00 1.17 C ATOM 2608 O GLU A 170 -11.944 6.531 -14.965 1.00 1.37 O ATOM 2609 CB GLU A 170 -13.045 8.306 -12.624 1.00 1.26 C ATOM 2610 CG GLU A 170 -14.341 8.672 -11.913 1.00 1.84 C ATOM 2611 CD GLU A 170 -14.521 10.166 -11.743 1.00 2.19 C ATOM 2612 OE1 GLU A 170 -14.137 10.918 -12.661 1.00 2.56 O ATOM 2613 OE2 GLU A 170 -15.020 10.593 -10.681 1.00 2.73 O ATOM 0 H GLU A 170 -11.841 6.696 -10.908 1.00 0.96 H new ATOM 0 HA GLU A 170 -13.762 6.356 -13.130 1.00 1.11 H new ATOM 0 HB2 GLU A 170 -12.204 8.737 -12.080 1.00 1.26 H new ATOM 0 HB3 GLU A 170 -13.044 8.753 -13.618 1.00 1.26 H new ATOM 0 HG2 GLU A 170 -15.184 8.272 -12.477 1.00 1.84 H new ATOM 0 HG3 GLU A 170 -14.358 8.196 -10.933 1.00 1.84 H new ATOM 2620 N MET A 171 -10.560 6.129 -13.242 1.00 1.11 N ATOM 2621 CA MET A 171 -9.421 5.814 -14.097 1.00 1.28 C ATOM 2622 C MET A 171 -9.607 4.451 -14.755 1.00 1.54 C ATOM 2623 O MET A 171 -8.908 4.108 -15.703 1.00 1.88 O ATOM 2624 CB MET A 171 -8.113 5.841 -13.302 1.00 1.31 C ATOM 2625 CG MET A 171 -6.875 5.798 -14.180 1.00 1.43 C ATOM 2626 SD MET A 171 -5.343 5.739 -13.231 1.00 1.66 S ATOM 2627 CE MET A 171 -5.502 4.145 -12.430 1.00 1.68 C ATOM 0 H MET A 171 -10.371 6.053 -12.242 1.00 1.11 H new ATOM 0 HA MET A 171 -9.365 6.576 -14.875 1.00 1.28 H new ATOM 0 HB2 MET A 171 -8.086 6.744 -12.691 1.00 1.31 H new ATOM 0 HB3 MET A 171 -8.094 4.993 -12.618 1.00 1.31 H new ATOM 0 HG2 MET A 171 -6.927 4.925 -14.830 1.00 1.43 H new ATOM 0 HG3 MET A 171 -6.863 6.676 -14.826 1.00 1.43 H new ATOM 0 HE1 MET A 171 -4.520 3.802 -12.105 1.00 1.68 H new ATOM 0 HE2 MET A 171 -6.159 4.236 -11.565 1.00 1.68 H new ATOM 0 HE3 MET A 171 -5.924 3.426 -13.132 1.00 1.68 H new ATOM 2637 N GLU A 172 -10.564 3.678 -14.265 1.00 1.62 N ATOM 2638 CA GLU A 172 -10.897 2.404 -14.883 1.00 2.07 C ATOM 2639 C GLU A 172 -11.494 2.625 -16.270 1.00 2.05 C ATOM 2640 O GLU A 172 -11.491 1.728 -17.109 1.00 2.58 O ATOM 2641 CB GLU A 172 -11.865 1.616 -14.003 1.00 2.47 C ATOM 2642 CG GLU A 172 -13.101 2.400 -13.593 1.00 3.01 C ATOM 2643 CD GLU A 172 -14.049 1.569 -12.759 1.00 3.71 C ATOM 2644 OE1 GLU A 172 -13.670 1.171 -11.641 1.00 4.27 O ATOM 2645 OE2 GLU A 172 -15.199 1.356 -13.200 1.00 4.04 O ATOM 0 H GLU A 172 -11.122 3.910 -13.443 1.00 1.62 H new ATOM 0 HA GLU A 172 -9.981 1.823 -14.989 1.00 2.07 H new ATOM 0 HB2 GLU A 172 -12.177 0.718 -14.536 1.00 2.47 H new ATOM 0 HB3 GLU A 172 -11.340 1.288 -13.106 1.00 2.47 H new ATOM 0 HG2 GLU A 172 -12.800 3.282 -13.028 1.00 3.01 H new ATOM 0 HG3 GLU A 172 -13.618 2.754 -14.485 1.00 3.01 H new ATOM 2652 N GLU A 173 -11.998 3.828 -16.501 1.00 1.85 N ATOM 2653 CA GLU A 173 -12.533 4.203 -17.798 1.00 2.28 C ATOM 2654 C GLU A 173 -11.500 5.035 -18.562 1.00 2.77 C ATOM 2655 O GLU A 173 -11.579 5.190 -19.780 1.00 3.47 O ATOM 2656 CB GLU A 173 -13.825 5.002 -17.615 1.00 2.50 C ATOM 2657 CG GLU A 173 -14.556 5.302 -18.914 1.00 2.86 C ATOM 2658 CD GLU A 173 -15.803 6.135 -18.702 1.00 3.41 C ATOM 2659 OE1 GLU A 173 -16.868 5.556 -18.399 1.00 3.82 O ATOM 2660 OE2 GLU A 173 -15.727 7.375 -18.845 1.00 3.91 O ATOM 0 H GLU A 173 -12.047 4.566 -15.799 1.00 1.85 H new ATOM 0 HA GLU A 173 -12.755 3.302 -18.371 1.00 2.28 H new ATOM 0 HB2 GLU A 173 -14.492 4.448 -16.954 1.00 2.50 H new ATOM 0 HB3 GLU A 173 -13.591 5.943 -17.116 1.00 2.50 H new ATOM 0 HG2 GLU A 173 -13.883 5.828 -19.592 1.00 2.86 H new ATOM 0 HG3 GLU A 173 -14.828 4.364 -19.398 1.00 2.86 H new ATOM 2667 N LEU A 174 -10.508 5.530 -17.834 1.00 2.83 N ATOM 2668 CA LEU A 174 -9.543 6.483 -18.375 1.00 3.69 C ATOM 2669 C LEU A 174 -8.112 6.101 -17.991 1.00 3.89 C ATOM 2670 O LEU A 174 -7.362 6.942 -17.486 1.00 4.73 O ATOM 2671 CB LEU A 174 -9.855 7.896 -17.866 1.00 4.31 C ATOM 2672 CG LEU A 174 -11.241 8.437 -18.226 1.00 4.98 C ATOM 2673 CD1 LEU A 174 -11.491 9.762 -17.526 1.00 5.48 C ATOM 2674 CD2 LEU A 174 -11.383 8.598 -19.734 1.00 5.72 C ATOM 0 H LEU A 174 -10.348 5.285 -16.857 1.00 2.83 H new ATOM 0 HA LEU A 174 -9.624 6.462 -19.462 1.00 3.69 H new ATOM 0 HB2 LEU A 174 -9.752 7.903 -16.781 1.00 4.31 H new ATOM 0 HB3 LEU A 174 -9.104 8.580 -18.262 1.00 4.31 H new ATOM 0 HG LEU A 174 -11.987 7.718 -17.887 1.00 4.98 H new ATOM 0 HD11 LEU A 174 -12.481 10.133 -17.792 1.00 5.48 H new ATOM 0 HD12 LEU A 174 -11.435 9.620 -16.447 1.00 5.48 H new ATOM 0 HD13 LEU A 174 -10.737 10.485 -17.836 1.00 5.48 H new ATOM 0 HD21 LEU A 174 -12.376 8.984 -19.967 1.00 5.72 H new ATOM 0 HD22 LEU A 174 -10.628 9.295 -20.098 1.00 5.72 H new ATOM 0 HD23 LEU A 174 -11.247 7.631 -20.218 1.00 5.72 H new ATOM 2686 N LYS A 175 -7.760 4.824 -18.197 1.00 3.42 N ATOM 2687 CA LYS A 175 -6.450 4.288 -17.824 1.00 3.88 C ATOM 2688 C LYS A 175 -5.310 5.255 -18.153 1.00 4.00 C ATOM 2689 O LYS A 175 -5.209 5.758 -19.273 1.00 4.36 O ATOM 2690 CB LYS A 175 -6.206 2.956 -18.535 1.00 4.27 C ATOM 2691 CG LYS A 175 -7.214 1.870 -18.190 1.00 4.29 C ATOM 2692 CD LYS A 175 -8.413 1.861 -19.126 1.00 4.24 C ATOM 2693 CE LYS A 175 -9.314 0.664 -18.843 1.00 4.99 C ATOM 2694 NZ LYS A 175 -10.462 0.574 -19.785 1.00 5.49 N ATOM 0 H LYS A 175 -8.378 4.136 -18.627 1.00 3.42 H new ATOM 0 HA LYS A 175 -6.461 4.141 -16.744 1.00 3.88 H new ATOM 0 HB2 LYS A 175 -6.224 3.123 -19.612 1.00 4.27 H new ATOM 0 HB3 LYS A 175 -5.206 2.601 -18.284 1.00 4.27 H new ATOM 0 HG2 LYS A 175 -6.722 0.898 -18.228 1.00 4.29 H new ATOM 0 HG3 LYS A 175 -7.559 2.013 -17.166 1.00 4.29 H new ATOM 0 HD2 LYS A 175 -8.980 2.784 -19.007 1.00 4.24 H new ATOM 0 HD3 LYS A 175 -8.072 1.828 -20.161 1.00 4.24 H new ATOM 0 HE2 LYS A 175 -8.725 -0.251 -18.905 1.00 4.99 H new ATOM 0 HE3 LYS A 175 -9.691 0.732 -17.823 1.00 4.99 H new ATOM 0 HZ1 LYS A 175 -10.600 -0.416 -20.071 1.00 5.49 H new ATOM 0 HZ2 LYS A 175 -11.323 0.923 -19.317 1.00 5.49 H new ATOM 0 HZ3 LYS A 175 -10.267 1.153 -20.627 1.00 5.49 H new ATOM 2708 N ALA A 176 -4.445 5.492 -17.171 1.00 4.26 N ATOM 2709 CA ALA A 176 -3.357 6.453 -17.317 1.00 4.89 C ATOM 2710 C ALA A 176 -2.118 5.806 -17.932 1.00 5.36 C ATOM 2711 O ALA A 176 -0.985 6.171 -17.609 1.00 5.78 O ATOM 2712 CB ALA A 176 -3.024 7.074 -15.970 1.00 5.48 C ATOM 0 H ALA A 176 -4.477 5.030 -16.262 1.00 4.26 H new ATOM 0 HA ALA A 176 -3.689 7.238 -17.997 1.00 4.89 H new ATOM 0 HB1 ALA A 176 -2.211 7.790 -16.090 1.00 5.48 H new ATOM 0 HB2 ALA A 176 -3.903 7.586 -15.578 1.00 5.48 H new ATOM 0 HB3 ALA A 176 -2.719 6.292 -15.274 1.00 5.48 H new ATOM 2718 N ASN A 177 -2.340 4.863 -18.830 1.00 5.66 N ATOM 2719 CA ASN A 177 -1.247 4.164 -19.487 1.00 6.40 C ATOM 2720 C ASN A 177 -0.881 4.857 -20.793 1.00 6.79 C ATOM 2721 O ASN A 177 -1.724 5.018 -21.675 1.00 6.94 O ATOM 2722 CB ASN A 177 -1.626 2.702 -19.748 1.00 6.79 C ATOM 2723 CG ASN A 177 -0.579 1.962 -20.563 1.00 7.41 C ATOM 2724 OD1 ASN A 177 -0.688 1.852 -21.787 1.00 7.72 O ATOM 2725 ND2 ASN A 177 0.439 1.453 -19.892 1.00 7.88 N ATOM 0 H ASN A 177 -3.270 4.562 -19.123 1.00 5.66 H new ATOM 0 HA ASN A 177 -0.379 4.185 -18.828 1.00 6.40 H new ATOM 0 HB2 ASN A 177 -1.766 2.192 -18.795 1.00 6.79 H new ATOM 0 HB3 ASN A 177 -2.581 2.666 -20.272 1.00 6.79 H new ATOM 0 HD21 ASN A 177 1.173 0.946 -20.386 1.00 7.88 H new ATOM 0 HD22 ASN A 177 0.491 1.567 -18.880 1.00 7.88 H new ATOM 2732 N PRO A 178 0.372 5.312 -20.915 1.00 7.29 N ATOM 2733 CA PRO A 178 0.870 5.968 -22.122 1.00 8.00 C ATOM 2734 C PRO A 178 1.085 4.970 -23.255 1.00 8.71 C ATOM 2735 O PRO A 178 0.226 4.897 -24.159 1.00 9.19 O ATOM 2736 CB PRO A 178 2.213 6.581 -21.688 1.00 8.54 C ATOM 2737 CG PRO A 178 2.265 6.425 -20.203 1.00 8.16 C ATOM 2738 CD PRO A 178 1.409 5.237 -19.883 1.00 7.54 C ATOM 2739 OXT PRO A 178 2.103 4.245 -23.227 1.00 9.00 O ATOM 0 HA PRO A 178 0.165 6.706 -22.504 1.00 8.00 H new ATOM 0 HB2 PRO A 178 3.049 6.070 -22.165 1.00 8.54 H new ATOM 0 HB3 PRO A 178 2.275 7.631 -21.974 1.00 8.54 H new ATOM 0 HG2 PRO A 178 3.289 6.271 -19.862 1.00 8.16 H new ATOM 0 HG3 PRO A 178 1.894 7.320 -19.703 1.00 8.16 H new ATOM 0 HD2 PRO A 178 1.971 4.304 -19.938 1.00 7.54 H new ATOM 0 HD3 PRO A 178 0.989 5.297 -18.879 1.00 7.54 H new TER 2747 PRO A 178 HETATM 2748 PB GDP A 179 -8.480 -3.266 15.678 1.00 0.68 P HETATM 2749 O1B GDP A 179 -8.336 -4.672 16.155 1.00 1.61 O HETATM 2750 O2B GDP A 179 -9.791 -3.002 14.952 1.00 1.63 O HETATM 2751 O3B GDP A 179 -7.245 -2.691 14.958 1.00 1.65 O HETATM 2752 O3A GDP A 179 -8.603 -2.367 17.075 1.00 0.68 O HETATM 2753 PA GDP A 179 -9.446 -1.081 17.382 1.00 0.75 P HETATM 2754 O1A GDP A 179 -9.965 -1.092 18.770 1.00 0.87 O HETATM 2755 O2A GDP A 179 -10.426 -0.750 16.277 1.00 0.88 O HETATM 2756 O5' GDP A 179 -8.310 0.057 17.290 1.00 0.69 O HETATM 2757 C5' GDP A 179 -7.064 -0.117 17.961 1.00 0.65 C HETATM 2758 C4' GDP A 179 -6.377 1.212 18.200 1.00 0.66 C HETATM 2759 O4' GDP A 179 -6.143 1.871 16.932 1.00 0.63 O HETATM 2760 C3' GDP A 179 -7.159 2.233 19.024 1.00 0.75 C HETATM 2761 O3' GDP A 179 -6.674 2.272 20.361 1.00 0.96 O HETATM 2762 C2' GDP A 179 -6.950 3.578 18.321 1.00 0.75 C HETATM 2763 O2' GDP A 179 -6.369 4.536 19.183 1.00 0.95 O HETATM 2764 C1' GDP A 179 -5.960 3.241 17.208 1.00 0.62 C HETATM 2765 N9 GDP A 179 -6.179 4.000 15.980 1.00 0.55 N HETATM 2766 C8 GDP A 179 -7.106 3.723 15.009 1.00 0.62 C HETATM 2767 N7 GDP A 179 -7.103 4.582 14.029 1.00 0.61 N HETATM 2768 C5 GDP A 179 -6.107 5.484 14.372 1.00 0.49 C HETATM 2769 C6 GDP A 179 -5.648 6.631 13.686 1.00 0.45 C HETATM 2770 O6 GDP A 179 -6.079 7.117 12.641 1.00 0.55 O HETATM 2771 N1 GDP A 179 -4.614 7.266 14.357 1.00 0.37 N HETATM 2772 C2 GDP A 179 -4.101 6.847 15.566 1.00 0.40 C HETATM 2773 N2 GDP A 179 -3.120 7.600 16.082 1.00 0.46 N HETATM 2774 N3 GDP A 179 -4.525 5.777 16.225 1.00 0.45 N HETATM 2775 C4 GDP A 179 -5.522 5.142 15.571 1.00 0.46 C HETATM 0 HO3' GDP A 179 -7.225 2.885 20.891 1.00 0.96 H new HETATM 0 HO2' GDP A 179 -6.073 4.097 20.008 1.00 0.95 H new HETATM 0 HN22 GDP A 179 -2.697 7.345 16.974 1.00 0.46 H new HETATM 0 HN21 GDP A 179 -2.796 8.428 15.582 1.00 0.46 H new HETATM 0 H5'' GDP A 179 -7.229 -0.620 18.914 1.00 0.65 H new HETATM 0 HN1 GDP A 179 -4.207 8.097 13.928 1.00 0.37 H new HETATM 0 H8 GDP A 179 -7.780 2.868 15.052 1.00 0.62 H new HETATM 0 H5' GDP A 179 -6.416 -0.762 17.368 1.00 0.65 H new HETATM 0 H4' GDP A 179 -5.478 0.937 18.752 1.00 0.66 H new HETATM 0 H3' GDP A 179 -8.217 1.980 19.087 1.00 0.75 H new HETATM 0 H2' GDP A 179 -7.890 4.007 17.975 1.00 0.75 H new HETATM 0 H1' GDP A 179 -4.953 3.492 17.542 1.00 0.62 H new