USER MOD reduce.3.24.130724 H: found=0, std=0, add=1171, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1171 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 GLN :FLIP amide:sc= 0.956 F(o=0.2!,f=2.1) USER MOD Set 1.2: A 122 TYR OH : rot 130:sc= 0.831 USER MOD Set 1.3: A 127 SER OG : rot 153:sc= 0.361 USER MOD Set 2.1: A 115 THR OG1 : rot 114:sc= 1.76 USER MOD Set 2.2: A 139 CYS SG : rot 72:sc= 0.389 USER MOD Set 3.1: A 93 CYS SG : rot 180:sc= 0.71 USER MOD Set 3.2: A 97 GLN :FLIP amide:sc= 0.51 F(o=-1.1!,f=1.2) USER MOD Set 4.1: A 76 ASN :FLIP amide:sc= 0.811 F(o=1.1,f=2.1) USER MOD Set 4.2: A 78 THR OG1 : rot 119:sc= 1.26 USER MOD Set 5.1: A 69 HIS : no HE2:sc= -7.69! C(o=-9.6!,f=-13!) USER MOD Set 5.2: A 71 GLN :FLIP amide:sc= -1.93! C(o=-15!,f=-9.6!) USER MOD Set 6.1: A 67 THR OG1 : rot -176:sc= -1.8! USER MOD Set 6.2: A 146 THR OG1 : rot 180:sc= -0.161 USER MOD Set 7.1: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.2: A 113 MET CE :methyl 163:sc= -0.336 (180deg=-0.589) USER MOD Set 8.1: A 42 ASN :FLIP amide:sc= -5.16! C(o=-11!,f=-5.2!) USER MOD Set 8.2: A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0943 (180deg=-0.541) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.01 F(o=-0.99,f=-0.01) USER MOD Single : A 23 MET CE :methyl -160:sc= -0.138 (180deg=-0.607) USER MOD Single : A 47 LYS NZ :NH3+ -165:sc= -0.135 (180deg=-0.693!) USER MOD Single : A 49 THR OG1 : rot 51:sc= 0.0981 USER MOD Single : A 57 SER OG : rot 86:sc= 1.17 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0835 USER MOD Single : A 62 LYS NZ :NH3+ -177:sc= 0.547 (180deg=0.504) USER MOD Single : A 64 GLN :FLIP amide:sc= -3.59! C(o=-8.1!,f=-3.6!) USER MOD Single : A 72 THR OG1 : rot 180:sc=-6.13e-06 USER MOD Single : A 73 SER OG : rot 170:sc=-0.00715 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= -2.11! USER MOD Single : A 106 MET CE :methyl -107:sc= -5.67! (180deg=-7.11!) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 60:sc= -0.392 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 CYS SG : rot 121:sc= -0.921 USER MOD Single : A 125 GLN : amide:sc= -0.0749 X(o=-0.075,f=-0.45) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 HIS : no HE2:sc= -0.9! C(o=-0.9!,f=-5.6!) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ -158:sc= 2.44 (180deg=0.339) USER MOD Single : A 152 HIS : no HE2:sc= 1.09 K(o=1.1,f=-4.5!) USER MOD Single : A 153 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.44) USER MOD Single : A 154 HIS : no HD1:sc= -0.0596 X(o=-0.06,f=0) USER MOD Single : A 155 HIS : no HE2:sc= -0.213 X(o=-0.21,f=-0.44) USER MOD Single : A 156 HIS : no HD1:sc=-0.00273 X(o=-0.0027,f=0) USER MOD Single : A 157 HIS : no HE2:sc= 1.1 K(o=1.1,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -32.185 32.244 -32.632 1.00 49.39 N ATOM 2 CA MET A 1 -33.258 33.067 -32.020 1.00 49.13 C ATOM 3 C MET A 1 -32.812 33.633 -30.677 1.00 48.56 C ATOM 4 O MET A 1 -32.878 34.840 -30.449 1.00 48.67 O ATOM 5 CB MET A 1 -34.531 32.234 -31.827 1.00 49.37 C ATOM 6 CG MET A 1 -35.702 33.023 -31.253 1.00 49.76 C ATOM 7 SD MET A 1 -36.207 34.398 -32.302 1.00 50.09 S ATOM 8 CE MET A 1 -36.684 33.528 -33.796 1.00 50.23 C ATOM 0 H1 MET A 1 -32.513 31.870 -33.545 1.00 49.39 H new ATOM 0 H2 MET A 1 -31.340 32.831 -32.782 1.00 49.39 H new ATOM 0 H3 MET A 1 -31.950 31.454 -31.998 1.00 49.39 H new ATOM 0 HA MET A 1 -33.469 33.894 -32.697 1.00 49.13 H new ATOM 0 HB2 MET A 1 -34.826 31.811 -32.787 1.00 49.37 H new ATOM 0 HB3 MET A 1 -34.309 31.397 -31.165 1.00 49.37 H new ATOM 0 HG2 MET A 1 -36.549 32.352 -31.110 1.00 49.76 H new ATOM 0 HG3 MET A 1 -35.428 33.405 -30.270 1.00 49.76 H new ATOM 0 HE1 MET A 1 -37.306 34.177 -34.412 1.00 50.23 H new ATOM 0 HE2 MET A 1 -35.791 33.246 -34.354 1.00 50.23 H new ATOM 0 HE3 MET A 1 -37.245 32.632 -33.532 1.00 50.23 H new ATOM 20 N GLY A 2 -32.362 32.754 -29.790 1.00 47.99 N ATOM 21 CA GLY A 2 -31.971 33.172 -28.458 1.00 47.44 C ATOM 22 C GLY A 2 -32.804 32.486 -27.393 1.00 46.69 C ATOM 23 O GLY A 2 -33.213 33.109 -26.413 1.00 46.54 O ATOM 0 H GLY A 2 -32.261 31.755 -29.971 1.00 47.99 H new ATOM 0 HA2 GLY A 2 -30.917 32.945 -28.299 1.00 47.44 H new ATOM 0 HA3 GLY A 2 -32.081 34.253 -28.368 1.00 47.44 H new ATOM 27 N GLN A 3 -33.052 31.198 -27.593 1.00 46.26 N ATOM 28 CA GLN A 3 -33.900 30.425 -26.696 1.00 45.58 C ATOM 29 C GLN A 3 -33.129 30.004 -25.452 1.00 45.14 C ATOM 30 O GLN A 3 -31.902 29.875 -25.490 1.00 45.18 O ATOM 31 CB GLN A 3 -34.438 29.183 -27.416 1.00 45.54 C ATOM 32 CG GLN A 3 -35.182 29.502 -28.700 1.00 45.20 C ATOM 33 CD GLN A 3 -35.790 28.277 -29.352 1.00 45.11 C ATOM 34 OE1 GLN A 3 -35.162 27.129 -29.166 1.00 45.20 O flip ATOM 35 NE2 GLN A 3 -36.814 28.366 -30.023 1.00 45.01 N flip ATOM 0 H GLN A 3 -32.674 30.663 -28.375 1.00 46.26 H new ATOM 0 HA GLN A 3 -34.736 31.055 -26.392 1.00 45.58 H new ATOM 0 HB2 GLN A 3 -33.606 28.516 -27.643 1.00 45.54 H new ATOM 0 HB3 GLN A 3 -35.105 28.643 -26.744 1.00 45.54 H new ATOM 0 HG2 GLN A 3 -35.971 30.223 -28.487 1.00 45.20 H new ATOM 0 HG3 GLN A 3 -34.497 29.978 -29.402 1.00 45.20 H new ATOM 0 HE21 GLN A 3 -37.269 29.271 -30.142 1.00 45.01 H new ATOM 0 HE22 GLN A 3 -37.210 27.535 -30.461 1.00 45.01 H new ATOM 44 N PRO A 4 -33.840 29.807 -24.331 1.00 44.78 N ATOM 45 CA PRO A 4 -33.242 29.324 -23.084 1.00 44.40 C ATOM 46 C PRO A 4 -32.804 27.869 -23.195 1.00 43.91 C ATOM 47 O PRO A 4 -33.375 27.100 -23.973 1.00 43.73 O ATOM 48 CB PRO A 4 -34.376 29.462 -22.051 1.00 44.25 C ATOM 49 CG PRO A 4 -35.408 30.313 -22.710 1.00 44.46 C ATOM 50 CD PRO A 4 -35.278 30.046 -24.179 1.00 44.80 C ATOM 0 HA PRO A 4 -32.345 29.884 -22.819 1.00 44.40 H new ATOM 0 HB2 PRO A 4 -34.783 28.487 -21.782 1.00 44.25 H new ATOM 0 HB3 PRO A 4 -34.016 29.922 -21.131 1.00 44.25 H new ATOM 0 HG2 PRO A 4 -36.407 30.063 -22.354 1.00 44.46 H new ATOM 0 HG3 PRO A 4 -35.245 31.368 -22.488 1.00 44.46 H new ATOM 0 HD2 PRO A 4 -35.868 29.183 -24.489 1.00 44.80 H new ATOM 0 HD3 PRO A 4 -35.614 30.893 -24.777 1.00 44.80 H new ATOM 58 N PRO A 5 -31.770 27.476 -22.439 1.00 43.76 N ATOM 59 CA PRO A 5 -31.298 26.094 -22.409 1.00 43.36 C ATOM 60 C PRO A 5 -32.283 25.162 -21.705 1.00 42.76 C ATOM 61 O PRO A 5 -33.058 25.600 -20.853 1.00 42.58 O ATOM 62 CB PRO A 5 -29.989 26.179 -21.621 1.00 43.41 C ATOM 63 CG PRO A 5 -30.130 27.393 -20.772 1.00 43.89 C ATOM 64 CD PRO A 5 -30.969 28.356 -21.564 1.00 44.02 C ATOM 0 HA PRO A 5 -31.180 25.683 -23.412 1.00 43.36 H new ATOM 0 HB2 PRO A 5 -29.836 25.288 -21.013 1.00 43.41 H new ATOM 0 HB3 PRO A 5 -29.131 26.261 -22.288 1.00 43.41 H new ATOM 0 HG2 PRO A 5 -30.605 27.151 -19.821 1.00 43.89 H new ATOM 0 HG3 PRO A 5 -29.155 27.823 -20.541 1.00 43.89 H new ATOM 0 HD2 PRO A 5 -31.602 28.963 -20.917 1.00 44.02 H new ATOM 0 HD3 PRO A 5 -30.352 29.044 -22.143 1.00 44.02 H new ATOM 72 N ALA A 6 -32.249 23.884 -22.081 1.00 42.50 N ATOM 73 CA ALA A 6 -33.089 22.849 -21.469 1.00 41.97 C ATOM 74 C ALA A 6 -34.572 23.026 -21.818 1.00 41.42 C ATOM 75 O ALA A 6 -34.927 23.826 -22.681 1.00 41.39 O ATOM 76 CB ALA A 6 -32.892 22.814 -19.955 1.00 42.03 C ATOM 0 H ALA A 6 -31.638 23.534 -22.819 1.00 42.50 H new ATOM 0 HA ALA A 6 -32.771 21.893 -21.884 1.00 41.97 H new ATOM 0 HB1 ALA A 6 -33.525 22.039 -19.524 1.00 42.03 H new ATOM 0 HB2 ALA A 6 -31.848 22.597 -19.729 1.00 42.03 H new ATOM 0 HB3 ALA A 6 -33.162 23.781 -19.531 1.00 42.03 H new ATOM 82 N GLU A 7 -35.428 22.262 -21.146 1.00 41.05 N ATOM 83 CA GLU A 7 -36.860 22.273 -21.418 1.00 40.56 C ATOM 84 C GLU A 7 -37.634 22.330 -20.104 1.00 40.16 C ATOM 85 O GLU A 7 -37.255 21.679 -19.125 1.00 40.13 O ATOM 86 CB GLU A 7 -37.243 21.024 -22.222 1.00 40.61 C ATOM 87 CG GLU A 7 -38.741 20.829 -22.429 1.00 40.78 C ATOM 88 CD GLU A 7 -39.374 21.936 -23.247 1.00 41.03 C ATOM 89 OE1 GLU A 7 -39.632 23.015 -22.680 1.00 40.82 O ATOM 90 OE2 GLU A 7 -39.628 21.717 -24.454 1.00 41.50 O ATOM 0 H GLU A 7 -35.150 21.622 -20.402 1.00 41.05 H new ATOM 0 HA GLU A 7 -37.114 23.155 -22.006 1.00 40.56 H new ATOM 0 HB2 GLU A 7 -36.760 21.075 -23.198 1.00 40.61 H new ATOM 0 HB3 GLU A 7 -36.844 20.146 -21.714 1.00 40.61 H new ATOM 0 HG2 GLU A 7 -38.912 19.874 -22.926 1.00 40.78 H new ATOM 0 HG3 GLU A 7 -39.233 20.776 -21.458 1.00 40.78 H new ATOM 97 N GLU A 8 -38.712 23.099 -20.086 1.00 39.89 N ATOM 98 CA GLU A 8 -39.500 23.297 -18.873 1.00 39.55 C ATOM 99 C GLU A 8 -40.886 22.671 -19.014 1.00 39.08 C ATOM 100 O GLU A 8 -41.812 23.016 -18.274 1.00 38.77 O ATOM 101 CB GLU A 8 -39.614 24.786 -18.541 1.00 39.61 C ATOM 102 CG GLU A 8 -38.297 25.415 -18.105 1.00 39.77 C ATOM 103 CD GLU A 8 -38.447 26.850 -17.638 1.00 40.05 C ATOM 104 OE1 GLU A 8 -39.253 27.107 -16.718 1.00 40.33 O ATOM 105 OE2 GLU A 8 -37.778 27.735 -18.212 1.00 40.04 O ATOM 0 H GLU A 8 -39.065 23.600 -20.901 1.00 39.89 H new ATOM 0 HA GLU A 8 -38.985 22.799 -18.051 1.00 39.55 H new ATOM 0 HB2 GLU A 8 -39.989 25.317 -19.416 1.00 39.61 H new ATOM 0 HB3 GLU A 8 -40.350 24.918 -17.748 1.00 39.61 H new ATOM 0 HG2 GLU A 8 -37.867 24.820 -17.299 1.00 39.77 H new ATOM 0 HG3 GLU A 8 -37.593 25.382 -18.936 1.00 39.77 H new ATOM 112 N ALA A 9 -40.997 21.758 -19.979 1.00 39.09 N ATOM 113 CA ALA A 9 -42.200 20.944 -20.198 1.00 38.75 C ATOM 114 C ALA A 9 -43.279 21.711 -20.959 1.00 38.56 C ATOM 115 O ALA A 9 -43.262 22.941 -21.036 1.00 38.67 O ATOM 116 CB ALA A 9 -42.750 20.378 -18.884 1.00 38.76 C ATOM 0 H ALA A 9 -40.247 21.558 -20.640 1.00 39.09 H new ATOM 0 HA ALA A 9 -41.898 20.102 -20.821 1.00 38.75 H new ATOM 0 HB1 ALA A 9 -43.639 19.782 -19.089 1.00 38.76 H new ATOM 0 HB2 ALA A 9 -41.993 19.751 -18.413 1.00 38.76 H new ATOM 0 HB3 ALA A 9 -43.009 21.198 -18.215 1.00 38.76 H new ATOM 122 N GLU A 10 -44.222 20.954 -21.514 1.00 38.35 N ATOM 123 CA GLU A 10 -45.256 21.491 -22.387 1.00 38.21 C ATOM 124 C GLU A 10 -46.634 21.003 -21.943 1.00 37.73 C ATOM 125 O GLU A 10 -47.447 21.768 -21.425 1.00 37.49 O ATOM 126 CB GLU A 10 -44.968 21.039 -23.828 1.00 38.40 C ATOM 127 CG GLU A 10 -46.111 21.255 -24.812 1.00 38.59 C ATOM 128 CD GLU A 10 -46.375 22.712 -25.110 1.00 38.73 C ATOM 129 OE1 GLU A 10 -45.581 23.321 -25.850 1.00 38.82 O ATOM 130 OE2 GLU A 10 -47.357 23.263 -24.572 1.00 38.81 O ATOM 0 H GLU A 10 -44.289 19.947 -21.369 1.00 38.35 H new ATOM 0 HA GLU A 10 -45.251 22.580 -22.335 1.00 38.21 H new ATOM 0 HB2 GLU A 10 -44.090 21.573 -24.192 1.00 38.40 H new ATOM 0 HB3 GLU A 10 -44.714 19.979 -23.816 1.00 38.40 H new ATOM 0 HG2 GLU A 10 -45.883 20.736 -25.743 1.00 38.59 H new ATOM 0 HG3 GLU A 10 -47.018 20.803 -24.410 1.00 38.59 H new ATOM 137 N GLN A 11 -46.872 19.711 -22.122 1.00 37.65 N ATOM 138 CA GLN A 11 -48.167 19.122 -21.831 1.00 37.26 C ATOM 139 C GLN A 11 -48.171 18.448 -20.460 1.00 36.82 C ATOM 140 O GLN A 11 -47.362 17.561 -20.189 1.00 36.78 O ATOM 141 CB GLN A 11 -48.540 18.119 -22.929 1.00 37.34 C ATOM 142 CG GLN A 11 -47.482 17.052 -23.170 1.00 37.71 C ATOM 143 CD GLN A 11 -47.839 16.104 -24.299 1.00 37.79 C ATOM 144 OE1 GLN A 11 -48.548 16.600 -25.301 1.00 37.58 O flip ATOM 145 NE2 GLN A 11 -47.463 14.933 -24.276 1.00 38.16 N flip ATOM 0 H GLN A 11 -46.178 19.049 -22.470 1.00 37.65 H new ATOM 0 HA GLN A 11 -48.912 19.917 -21.809 1.00 37.26 H new ATOM 0 HB2 GLN A 11 -49.478 17.633 -22.661 1.00 37.34 H new ATOM 0 HB3 GLN A 11 -48.715 18.660 -23.859 1.00 37.34 H new ATOM 0 HG2 GLN A 11 -46.532 17.536 -23.397 1.00 37.71 H new ATOM 0 HG3 GLN A 11 -47.338 16.479 -22.254 1.00 37.71 H new ATOM 0 HE21 GLN A 11 -46.918 14.588 -23.486 1.00 38.16 H new ATOM 0 HE22 GLN A 11 -47.696 14.307 -25.047 1.00 38.16 H new ATOM 154 N PRO A 12 -49.070 18.884 -19.571 1.00 36.56 N ATOM 155 CA PRO A 12 -49.243 18.272 -18.256 1.00 36.18 C ATOM 156 C PRO A 12 -49.935 16.916 -18.364 1.00 35.97 C ATOM 157 O PRO A 12 -51.012 16.806 -18.958 1.00 36.19 O ATOM 158 CB PRO A 12 -50.128 19.272 -17.491 1.00 36.06 C ATOM 159 CG PRO A 12 -50.219 20.485 -18.365 1.00 36.50 C ATOM 160 CD PRO A 12 -49.977 20.015 -19.768 1.00 36.70 C ATOM 0 HA PRO A 12 -48.291 18.083 -17.760 1.00 36.18 H new ATOM 0 HB2 PRO A 12 -51.116 18.853 -17.299 1.00 36.06 H new ATOM 0 HB3 PRO A 12 -49.693 19.519 -16.523 1.00 36.06 H new ATOM 0 HG2 PRO A 12 -51.199 20.955 -18.276 1.00 36.50 H new ATOM 0 HG3 PRO A 12 -49.480 21.231 -18.072 1.00 36.50 H new ATOM 0 HD2 PRO A 12 -50.902 19.713 -20.260 1.00 36.70 H new ATOM 0 HD3 PRO A 12 -49.527 20.793 -20.385 1.00 36.70 H new ATOM 168 N GLY A 13 -49.307 15.886 -17.810 1.00 35.61 N ATOM 169 CA GLY A 13 -49.877 14.555 -17.866 1.00 35.47 C ATOM 170 C GLY A 13 -48.889 13.535 -18.394 1.00 35.16 C ATOM 171 O GLY A 13 -49.268 12.581 -19.074 1.00 35.17 O ATOM 0 H GLY A 13 -48.413 15.950 -17.323 1.00 35.61 H new ATOM 0 HA2 GLY A 13 -50.205 14.259 -16.870 1.00 35.47 H new ATOM 0 HA3 GLY A 13 -50.761 14.566 -18.503 1.00 35.47 H new ATOM 175 N ALA A 14 -47.617 13.733 -18.086 1.00 34.97 N ATOM 176 CA ALA A 14 -46.573 12.834 -18.550 1.00 34.74 C ATOM 177 C ALA A 14 -45.660 12.442 -17.399 1.00 34.24 C ATOM 178 O ALA A 14 -45.347 13.266 -16.540 1.00 34.14 O ATOM 179 CB ALA A 14 -45.775 13.488 -19.669 1.00 35.03 C ATOM 0 H ALA A 14 -47.283 14.510 -17.516 1.00 34.97 H new ATOM 0 HA ALA A 14 -47.039 11.929 -18.940 1.00 34.74 H new ATOM 0 HB1 ALA A 14 -44.996 12.805 -20.008 1.00 35.03 H new ATOM 0 HB2 ALA A 14 -46.439 13.722 -20.501 1.00 35.03 H new ATOM 0 HB3 ALA A 14 -45.317 14.406 -19.301 1.00 35.03 H new ATOM 185 N LEU A 15 -45.246 11.180 -17.381 1.00 34.01 N ATOM 186 CA LEU A 15 -44.353 10.672 -16.343 1.00 33.60 C ATOM 187 C LEU A 15 -43.227 9.869 -16.984 1.00 33.26 C ATOM 188 O LEU A 15 -43.484 9.019 -17.839 1.00 33.39 O ATOM 189 CB LEU A 15 -45.131 9.795 -15.354 1.00 33.42 C ATOM 190 CG LEU A 15 -46.211 10.516 -14.545 1.00 33.48 C ATOM 191 CD1 LEU A 15 -46.931 9.531 -13.640 1.00 33.70 C ATOM 192 CD2 LEU A 15 -45.599 11.642 -13.725 1.00 33.25 C ATOM 0 H LEU A 15 -45.516 10.485 -18.077 1.00 34.01 H new ATOM 0 HA LEU A 15 -43.927 11.514 -15.797 1.00 33.60 H new ATOM 0 HB2 LEU A 15 -45.599 8.981 -15.907 1.00 33.42 H new ATOM 0 HB3 LEU A 15 -44.422 9.343 -14.660 1.00 33.42 H new ATOM 0 HG LEU A 15 -46.934 10.949 -15.236 1.00 33.48 H new ATOM 0 HD11 LEU A 15 -47.697 10.055 -13.069 1.00 33.70 H new ATOM 0 HD12 LEU A 15 -47.397 8.754 -14.246 1.00 33.70 H new ATOM 0 HD13 LEU A 15 -46.215 9.076 -12.955 1.00 33.70 H new ATOM 0 HD21 LEU A 15 -46.381 12.144 -13.156 1.00 33.25 H new ATOM 0 HD22 LEU A 15 -44.858 11.231 -13.039 1.00 33.25 H new ATOM 0 HD23 LEU A 15 -45.119 12.358 -14.392 1.00 33.25 H new ATOM 204 N ALA A 16 -41.988 10.146 -16.585 1.00 32.89 N ATOM 205 CA ALA A 16 -40.821 9.491 -17.180 1.00 32.59 C ATOM 206 C ALA A 16 -39.546 9.786 -16.392 1.00 31.98 C ATOM 207 O ALA A 16 -38.442 9.680 -16.930 1.00 31.63 O ATOM 208 CB ALA A 16 -40.647 9.942 -18.628 1.00 32.80 C ATOM 0 H ALA A 16 -41.764 10.819 -15.852 1.00 32.89 H new ATOM 0 HA ALA A 16 -40.995 8.415 -17.150 1.00 32.59 H new ATOM 0 HB1 ALA A 16 -39.776 9.449 -19.061 1.00 32.80 H new ATOM 0 HB2 ALA A 16 -41.536 9.677 -19.201 1.00 32.80 H new ATOM 0 HB3 ALA A 16 -40.504 11.022 -18.658 1.00 32.80 H new ATOM 214 N ARG A 17 -39.688 10.137 -15.121 1.00 31.94 N ATOM 215 CA ARG A 17 -38.529 10.497 -14.300 1.00 31.46 C ATOM 216 C ARG A 17 -38.651 9.924 -12.892 1.00 31.11 C ATOM 217 O ARG A 17 -37.816 10.193 -12.028 1.00 31.11 O ATOM 218 CB ARG A 17 -38.381 12.030 -14.245 1.00 31.72 C ATOM 219 CG ARG A 17 -39.569 12.759 -13.613 1.00 31.75 C ATOM 220 CD ARG A 17 -39.522 12.730 -12.091 1.00 31.70 C ATOM 221 NE ARG A 17 -40.760 13.231 -11.493 1.00 31.67 N ATOM 222 CZ ARG A 17 -41.321 12.714 -10.398 1.00 31.67 C ATOM 223 NH1 ARG A 17 -40.753 11.679 -9.779 1.00 31.70 N ATOM 224 NH2 ARG A 17 -42.447 13.236 -9.918 1.00 31.71 N ATOM 0 H ARG A 17 -40.584 10.182 -14.635 1.00 31.94 H new ATOM 0 HA ARG A 17 -37.638 10.068 -14.758 1.00 31.46 H new ATOM 0 HB2 ARG A 17 -37.480 12.276 -13.684 1.00 31.72 H new ATOM 0 HB3 ARG A 17 -38.238 12.405 -15.258 1.00 31.72 H new ATOM 0 HG2 ARG A 17 -39.580 13.794 -13.954 1.00 31.75 H new ATOM 0 HG3 ARG A 17 -40.497 12.301 -13.954 1.00 31.75 H new ATOM 0 HD2 ARG A 17 -39.344 11.709 -11.754 1.00 31.70 H new ATOM 0 HD3 ARG A 17 -38.682 13.332 -11.743 1.00 31.70 H new ATOM 0 HE ARG A 17 -41.222 14.023 -11.940 1.00 31.67 H new ATOM 0 HH11 ARG A 17 -39.887 11.280 -10.142 1.00 31.70 H new ATOM 0 HH12 ARG A 17 -41.184 11.286 -8.942 1.00 31.70 H new ATOM 0 HH21 ARG A 17 -42.881 14.031 -10.387 1.00 31.71 H new ATOM 0 HH22 ARG A 17 -42.876 12.841 -9.081 1.00 31.71 H new ATOM 238 N GLU A 18 -39.695 9.134 -12.684 1.00 30.90 N ATOM 239 CA GLU A 18 -40.095 8.683 -11.358 1.00 30.62 C ATOM 240 C GLU A 18 -38.959 8.023 -10.587 1.00 30.39 C ATOM 241 O GLU A 18 -38.549 8.508 -9.530 1.00 30.35 O ATOM 242 CB GLU A 18 -41.261 7.694 -11.455 1.00 30.67 C ATOM 243 CG GLU A 18 -42.554 8.289 -11.995 1.00 30.69 C ATOM 244 CD GLU A 18 -42.496 8.628 -13.475 1.00 30.90 C ATOM 245 OE1 GLU A 18 -42.086 9.759 -13.818 1.00 31.24 O ATOM 246 OE2 GLU A 18 -42.854 7.765 -14.299 1.00 30.81 O ATOM 0 H GLU A 18 -40.292 8.786 -13.434 1.00 30.90 H new ATOM 0 HA GLU A 18 -40.397 9.578 -10.814 1.00 30.62 H new ATOM 0 HB2 GLU A 18 -40.963 6.864 -12.095 1.00 30.67 H new ATOM 0 HB3 GLU A 18 -41.453 7.280 -10.465 1.00 30.67 H new ATOM 0 HG2 GLU A 18 -43.368 7.584 -11.824 1.00 30.69 H new ATOM 0 HG3 GLU A 18 -42.791 9.192 -11.433 1.00 30.69 H new ATOM 253 N PHE A 19 -38.451 6.922 -11.115 1.00 30.33 N ATOM 254 CA PHE A 19 -37.560 6.077 -10.344 1.00 30.21 C ATOM 255 C PHE A 19 -36.107 6.250 -10.764 1.00 29.75 C ATOM 256 O PHE A 19 -35.800 6.483 -11.932 1.00 29.69 O ATOM 257 CB PHE A 19 -37.990 4.611 -10.476 1.00 30.57 C ATOM 258 CG PHE A 19 -37.572 3.764 -9.313 1.00 30.68 C ATOM 259 CD1 PHE A 19 -38.316 3.739 -8.145 1.00 31.05 C ATOM 260 CD2 PHE A 19 -36.427 2.988 -9.397 1.00 30.51 C ATOM 261 CE1 PHE A 19 -37.926 2.953 -7.079 1.00 31.24 C ATOM 262 CE2 PHE A 19 -36.032 2.200 -8.334 1.00 30.71 C ATOM 263 CZ PHE A 19 -36.809 2.207 -7.146 1.00 31.07 C ATOM 0 H PHE A 19 -38.638 6.596 -12.063 1.00 30.33 H new ATOM 0 HA PHE A 19 -37.630 6.380 -9.299 1.00 30.21 H new ATOM 0 HB2 PHE A 19 -39.074 4.565 -10.579 1.00 30.57 H new ATOM 0 HB3 PHE A 19 -37.565 4.196 -11.390 1.00 30.57 H new ATOM 0 HD1 PHE A 19 -39.210 4.340 -8.067 1.00 31.05 H new ATOM 0 HD2 PHE A 19 -35.838 3.000 -10.302 1.00 30.51 H new ATOM 0 HE1 PHE A 19 -38.525 2.937 -6.181 1.00 31.24 H new ATOM 0 HE2 PHE A 19 -35.145 1.588 -8.405 1.00 30.71 H new ATOM 0 HZ PHE A 19 -36.503 1.614 -6.297 1.00 31.07 H new ATOM 273 N LEU A 20 -35.219 6.136 -9.788 1.00 29.50 N ATOM 274 CA LEU A 20 -33.791 6.242 -10.030 1.00 29.16 C ATOM 275 C LEU A 20 -33.234 4.906 -10.530 1.00 28.50 C ATOM 276 O LEU A 20 -32.731 4.088 -9.757 1.00 28.35 O ATOM 277 CB LEU A 20 -33.043 6.705 -8.762 1.00 29.33 C ATOM 278 CG LEU A 20 -33.204 5.829 -7.505 1.00 29.60 C ATOM 279 CD1 LEU A 20 -32.093 6.129 -6.511 1.00 29.57 C ATOM 280 CD2 LEU A 20 -34.566 6.045 -6.849 1.00 29.85 C ATOM 0 H LEU A 20 -35.467 5.969 -8.813 1.00 29.50 H new ATOM 0 HA LEU A 20 -33.634 6.995 -10.802 1.00 29.16 H new ATOM 0 HB2 LEU A 20 -31.981 6.769 -8.998 1.00 29.33 H new ATOM 0 HB3 LEU A 20 -33.377 7.714 -8.519 1.00 29.33 H new ATOM 0 HG LEU A 20 -33.139 4.785 -7.812 1.00 29.60 H new ATOM 0 HD11 LEU A 20 -32.217 5.504 -5.627 1.00 29.57 H new ATOM 0 HD12 LEU A 20 -31.127 5.919 -6.971 1.00 29.57 H new ATOM 0 HD13 LEU A 20 -32.137 7.179 -6.222 1.00 29.57 H new ATOM 0 HD21 LEU A 20 -34.648 5.413 -5.965 1.00 29.85 H new ATOM 0 HD22 LEU A 20 -34.668 7.091 -6.558 1.00 29.85 H new ATOM 0 HD23 LEU A 20 -35.355 5.786 -7.555 1.00 29.85 H new ATOM 292 N ALA A 21 -33.362 4.678 -11.828 1.00 28.20 N ATOM 293 CA ALA A 21 -32.841 3.467 -12.445 1.00 27.66 C ATOM 294 C ALA A 21 -32.226 3.788 -13.799 1.00 27.05 C ATOM 295 O ALA A 21 -32.835 3.560 -14.844 1.00 26.92 O ATOM 296 CB ALA A 21 -33.939 2.415 -12.580 1.00 27.59 C ATOM 0 H ALA A 21 -33.823 5.317 -12.476 1.00 28.20 H new ATOM 0 HA ALA A 21 -32.062 3.057 -11.803 1.00 27.66 H new ATOM 0 HB1 ALA A 21 -33.528 1.518 -13.043 1.00 27.59 H new ATOM 0 HB2 ALA A 21 -34.329 2.167 -11.593 1.00 27.59 H new ATOM 0 HB3 ALA A 21 -34.745 2.808 -13.200 1.00 27.59 H new ATOM 302 N ALA A 22 -31.028 4.353 -13.768 1.00 26.78 N ATOM 303 CA ALA A 22 -30.327 4.721 -14.986 1.00 26.29 C ATOM 304 C ALA A 22 -29.060 3.896 -15.137 1.00 25.93 C ATOM 305 O ALA A 22 -28.847 3.247 -16.160 1.00 26.15 O ATOM 306 CB ALA A 22 -30.002 6.211 -14.976 1.00 26.23 C ATOM 0 H ALA A 22 -30.521 4.567 -12.909 1.00 26.78 H new ATOM 0 HA ALA A 22 -30.973 4.514 -15.839 1.00 26.29 H new ATOM 0 HB1 ALA A 22 -29.477 6.475 -15.894 1.00 26.23 H new ATOM 0 HB2 ALA A 22 -30.926 6.785 -14.909 1.00 26.23 H new ATOM 0 HB3 ALA A 22 -29.370 6.440 -14.118 1.00 26.23 H new ATOM 312 N MET A 23 -28.229 3.913 -14.104 1.00 25.45 N ATOM 313 CA MET A 23 -26.990 3.149 -14.107 1.00 25.17 C ATOM 314 C MET A 23 -26.525 2.912 -12.675 1.00 24.29 C ATOM 315 O MET A 23 -25.518 3.467 -12.226 1.00 24.04 O ATOM 316 CB MET A 23 -25.901 3.867 -14.918 1.00 25.82 C ATOM 317 CG MET A 23 -24.625 3.052 -15.093 1.00 26.18 C ATOM 318 SD MET A 23 -23.383 3.904 -16.090 1.00 26.73 S ATOM 319 CE MET A 23 -24.224 4.026 -17.669 1.00 27.47 C ATOM 0 H MET A 23 -28.391 4.449 -13.251 1.00 25.45 H new ATOM 0 HA MET A 23 -27.177 2.186 -14.583 1.00 25.17 H new ATOM 0 HB2 MET A 23 -26.299 4.117 -15.902 1.00 25.82 H new ATOM 0 HB3 MET A 23 -25.655 4.808 -14.425 1.00 25.82 H new ATOM 0 HG2 MET A 23 -24.206 2.827 -14.112 1.00 26.18 H new ATOM 0 HG3 MET A 23 -24.869 2.099 -15.562 1.00 26.18 H new ATOM 0 HE1 MET A 23 -23.492 4.192 -18.459 1.00 27.47 H new ATOM 0 HE2 MET A 23 -24.766 3.101 -17.865 1.00 27.47 H new ATOM 0 HE3 MET A 23 -24.926 4.859 -17.644 1.00 27.47 H new ATOM 329 N GLU A 24 -27.300 2.129 -11.948 1.00 23.92 N ATOM 330 CA GLU A 24 -26.957 1.765 -10.580 1.00 23.15 C ATOM 331 C GLU A 24 -26.506 0.306 -10.544 1.00 22.22 C ATOM 332 O GLU A 24 -27.318 -0.607 -10.718 1.00 22.21 O ATOM 333 CB GLU A 24 -28.164 1.983 -9.660 1.00 23.57 C ATOM 334 CG GLU A 24 -27.835 1.949 -8.176 1.00 23.67 C ATOM 335 CD GLU A 24 -26.853 3.030 -7.765 1.00 24.03 C ATOM 336 OE1 GLU A 24 -27.019 4.190 -8.198 1.00 24.41 O ATOM 337 OE2 GLU A 24 -25.912 2.727 -7.006 1.00 24.02 O ATOM 0 H GLU A 24 -28.177 1.729 -12.282 1.00 23.92 H new ATOM 0 HA GLU A 24 -26.142 2.396 -10.226 1.00 23.15 H new ATOM 0 HB2 GLU A 24 -28.618 2.945 -9.897 1.00 23.57 H new ATOM 0 HB3 GLU A 24 -28.910 1.218 -9.872 1.00 23.57 H new ATOM 0 HG2 GLU A 24 -28.755 2.063 -7.602 1.00 23.67 H new ATOM 0 HG3 GLU A 24 -27.421 0.973 -7.923 1.00 23.67 H new ATOM 344 N PRO A 25 -25.197 0.072 -10.349 1.00 21.54 N ATOM 345 CA PRO A 25 -24.612 -1.267 -10.412 1.00 20.70 C ATOM 346 C PRO A 25 -24.825 -2.081 -9.137 1.00 19.96 C ATOM 347 O PRO A 25 -25.464 -1.625 -8.185 1.00 19.79 O ATOM 348 CB PRO A 25 -23.126 -0.980 -10.618 1.00 20.35 C ATOM 349 CG PRO A 25 -22.897 0.322 -9.933 1.00 20.99 C ATOM 350 CD PRO A 25 -24.183 1.102 -10.050 1.00 21.63 C ATOM 0 HA PRO A 25 -25.070 -1.870 -11.197 1.00 20.70 H new ATOM 0 HB2 PRO A 25 -22.507 -1.768 -10.189 1.00 20.35 H new ATOM 0 HB3 PRO A 25 -22.877 -0.920 -11.677 1.00 20.35 H new ATOM 0 HG2 PRO A 25 -22.631 0.168 -8.887 1.00 20.99 H new ATOM 0 HG3 PRO A 25 -22.072 0.863 -10.396 1.00 20.99 H new ATOM 0 HD2 PRO A 25 -24.413 1.633 -9.127 1.00 21.63 H new ATOM 0 HD3 PRO A 25 -24.127 1.849 -10.842 1.00 21.63 H new ATOM 358 N GLU A 26 -24.281 -3.291 -9.131 1.00 19.63 N ATOM 359 CA GLU A 26 -24.378 -4.167 -7.980 1.00 19.01 C ATOM 360 C GLU A 26 -23.142 -4.017 -7.106 1.00 17.82 C ATOM 361 O GLU A 26 -22.024 -3.937 -7.619 1.00 17.39 O ATOM 362 CB GLU A 26 -24.510 -5.623 -8.424 1.00 19.23 C ATOM 363 CG GLU A 26 -25.740 -5.903 -9.271 1.00 19.90 C ATOM 364 CD GLU A 26 -25.828 -7.356 -9.693 1.00 20.41 C ATOM 365 OE1 GLU A 26 -25.008 -8.169 -9.224 1.00 20.67 O ATOM 366 OE2 GLU A 26 -26.722 -7.694 -10.498 1.00 20.64 O ATOM 0 H GLU A 26 -23.766 -3.686 -9.918 1.00 19.63 H new ATOM 0 HA GLU A 26 -25.264 -3.888 -7.410 1.00 19.01 H new ATOM 0 HB2 GLU A 26 -23.621 -5.901 -8.990 1.00 19.23 H new ATOM 0 HB3 GLU A 26 -24.538 -6.260 -7.540 1.00 19.23 H new ATOM 0 HG2 GLU A 26 -26.635 -5.635 -8.709 1.00 19.90 H new ATOM 0 HG3 GLU A 26 -25.720 -5.270 -10.158 1.00 19.90 H new ATOM 373 N PRO A 27 -23.325 -3.957 -5.780 1.00 17.38 N ATOM 374 CA PRO A 27 -22.211 -3.890 -4.834 1.00 16.31 C ATOM 375 C PRO A 27 -21.389 -5.175 -4.850 1.00 15.58 C ATOM 376 O PRO A 27 -21.826 -6.209 -4.336 1.00 15.74 O ATOM 377 CB PRO A 27 -22.889 -3.706 -3.467 1.00 16.33 C ATOM 378 CG PRO A 27 -24.287 -3.291 -3.780 1.00 17.43 C ATOM 379 CD PRO A 27 -24.624 -3.930 -5.096 1.00 18.02 C ATOM 0 HA PRO A 27 -21.516 -3.086 -5.077 1.00 16.31 H new ATOM 0 HB2 PRO A 27 -22.872 -4.631 -2.891 1.00 16.33 H new ATOM 0 HB3 PRO A 27 -22.377 -2.950 -2.872 1.00 16.33 H new ATOM 0 HG2 PRO A 27 -24.975 -3.618 -3.000 1.00 17.43 H new ATOM 0 HG3 PRO A 27 -24.367 -2.206 -3.841 1.00 17.43 H new ATOM 0 HD2 PRO A 27 -25.035 -4.931 -4.967 1.00 18.02 H new ATOM 0 HD3 PRO A 27 -25.362 -3.351 -5.651 1.00 18.02 H new ATOM 387 N ALA A 28 -20.214 -5.113 -5.463 1.00 14.93 N ATOM 388 CA ALA A 28 -19.329 -6.264 -5.538 1.00 14.31 C ATOM 389 C ALA A 28 -18.776 -6.596 -4.159 1.00 13.28 C ATOM 390 O ALA A 28 -18.489 -5.692 -3.370 1.00 12.82 O ATOM 391 CB ALA A 28 -18.192 -6.000 -6.513 1.00 14.27 C ATOM 0 H ALA A 28 -19.852 -4.274 -5.916 1.00 14.93 H new ATOM 0 HA ALA A 28 -19.903 -7.118 -5.899 1.00 14.31 H new ATOM 0 HB1 ALA A 28 -17.540 -6.872 -6.556 1.00 14.27 H new ATOM 0 HB2 ALA A 28 -18.601 -5.803 -7.504 1.00 14.27 H new ATOM 0 HB3 ALA A 28 -17.619 -5.135 -6.179 1.00 14.27 H new ATOM 397 N PRO A 29 -18.650 -7.895 -3.838 1.00 13.06 N ATOM 398 CA PRO A 29 -18.124 -8.338 -2.547 1.00 12.21 C ATOM 399 C PRO A 29 -16.731 -7.790 -2.271 1.00 11.34 C ATOM 400 O PRO A 29 -15.821 -7.923 -3.090 1.00 11.36 O ATOM 401 CB PRO A 29 -18.082 -9.867 -2.668 1.00 12.51 C ATOM 402 CG PRO A 29 -18.218 -10.158 -4.124 1.00 13.50 C ATOM 403 CD PRO A 29 -19.018 -9.029 -4.701 1.00 13.81 C ATOM 0 HA PRO A 29 -18.741 -7.985 -1.721 1.00 12.21 H new ATOM 0 HB2 PRO A 29 -17.147 -10.266 -2.274 1.00 12.51 H new ATOM 0 HB3 PRO A 29 -18.890 -10.328 -2.099 1.00 12.51 H new ATOM 0 HG2 PRO A 29 -17.240 -10.226 -4.601 1.00 13.50 H new ATOM 0 HG3 PRO A 29 -18.719 -11.113 -4.285 1.00 13.50 H new ATOM 0 HD2 PRO A 29 -18.762 -8.843 -5.744 1.00 13.81 H new ATOM 0 HD3 PRO A 29 -20.088 -9.233 -4.667 1.00 13.81 H new ATOM 411 N ALA A 30 -16.577 -7.174 -1.110 1.00 10.76 N ATOM 412 CA ALA A 30 -15.297 -6.639 -0.691 1.00 10.06 C ATOM 413 C ALA A 30 -15.207 -6.572 0.831 1.00 8.93 C ATOM 414 O ALA A 30 -15.259 -5.487 1.418 1.00 8.35 O ATOM 415 CB ALA A 30 -15.063 -5.265 -1.302 1.00 10.54 C ATOM 0 H ALA A 30 -17.331 -7.033 -0.438 1.00 10.76 H new ATOM 0 HA ALA A 30 -14.517 -7.311 -1.048 1.00 10.06 H new ATOM 0 HB1 ALA A 30 -14.097 -4.881 -0.975 1.00 10.54 H new ATOM 0 HB2 ALA A 30 -15.073 -5.344 -2.389 1.00 10.54 H new ATOM 0 HB3 ALA A 30 -15.851 -4.585 -0.980 1.00 10.54 H new ATOM 421 N PRO A 31 -15.105 -7.738 1.495 1.00 8.82 N ATOM 422 CA PRO A 31 -14.950 -7.807 2.950 1.00 7.95 C ATOM 423 C PRO A 31 -13.551 -7.386 3.401 1.00 6.75 C ATOM 424 O PRO A 31 -12.768 -8.202 3.888 1.00 6.83 O ATOM 425 CB PRO A 31 -15.198 -9.285 3.265 1.00 8.63 C ATOM 426 CG PRO A 31 -14.803 -10.001 2.019 1.00 9.60 C ATOM 427 CD PRO A 31 -15.153 -9.083 0.881 1.00 9.77 C ATOM 0 HA PRO A 31 -15.631 -7.131 3.468 1.00 7.95 H new ATOM 0 HB2 PRO A 31 -14.604 -9.615 4.118 1.00 8.63 H new ATOM 0 HB3 PRO A 31 -16.243 -9.468 3.514 1.00 8.63 H new ATOM 0 HG2 PRO A 31 -13.737 -10.229 2.022 1.00 9.60 H new ATOM 0 HG3 PRO A 31 -15.332 -10.950 1.931 1.00 9.60 H new ATOM 0 HD2 PRO A 31 -14.443 -9.174 0.059 1.00 9.77 H new ATOM 0 HD3 PRO A 31 -16.140 -9.304 0.476 1.00 9.77 H new ATOM 435 N ALA A 32 -13.243 -6.110 3.219 1.00 5.86 N ATOM 436 CA ALA A 32 -11.957 -5.558 3.620 1.00 4.75 C ATOM 437 C ALA A 32 -12.095 -4.833 4.953 1.00 3.89 C ATOM 438 O ALA A 32 -13.054 -4.085 5.153 1.00 3.98 O ATOM 439 CB ALA A 32 -11.430 -4.607 2.549 1.00 4.57 C ATOM 0 H ALA A 32 -13.873 -5.431 2.792 1.00 5.86 H new ATOM 0 HA ALA A 32 -11.244 -6.374 3.736 1.00 4.75 H new ATOM 0 HB1 ALA A 32 -10.468 -4.202 2.863 1.00 4.57 H new ATOM 0 HB2 ALA A 32 -11.307 -5.148 1.611 1.00 4.57 H new ATOM 0 HB3 ALA A 32 -12.138 -3.791 2.407 1.00 4.57 H new ATOM 445 N PRO A 33 -11.151 -5.052 5.884 1.00 3.62 N ATOM 446 CA PRO A 33 -11.173 -4.419 7.210 1.00 3.45 C ATOM 447 C PRO A 33 -11.232 -2.900 7.115 1.00 2.48 C ATOM 448 O PRO A 33 -11.999 -2.248 7.828 1.00 3.06 O ATOM 449 CB PRO A 33 -9.856 -4.868 7.859 1.00 4.15 C ATOM 450 CG PRO A 33 -9.025 -5.409 6.741 1.00 4.47 C ATOM 451 CD PRO A 33 -9.993 -5.941 5.726 1.00 4.26 C ATOM 0 HA PRO A 33 -12.054 -4.709 7.783 1.00 3.45 H new ATOM 0 HB2 PRO A 33 -9.356 -4.034 8.351 1.00 4.15 H new ATOM 0 HB3 PRO A 33 -10.033 -5.628 8.620 1.00 4.15 H new ATOM 0 HG2 PRO A 33 -8.396 -4.630 6.310 1.00 4.47 H new ATOM 0 HG3 PRO A 33 -8.359 -6.196 7.095 1.00 4.47 H new ATOM 0 HD2 PRO A 33 -9.585 -5.898 4.716 1.00 4.26 H new ATOM 0 HD3 PRO A 33 -10.252 -6.982 5.921 1.00 4.26 H new ATOM 459 N GLU A 34 -10.429 -2.352 6.217 1.00 1.57 N ATOM 460 CA GLU A 34 -10.377 -0.921 5.991 1.00 1.27 C ATOM 461 C GLU A 34 -9.836 -0.653 4.593 1.00 1.08 C ATOM 462 O GLU A 34 -9.005 -1.411 4.091 1.00 1.44 O ATOM 463 CB GLU A 34 -9.497 -0.250 7.052 1.00 2.01 C ATOM 464 CG GLU A 34 -9.455 1.265 6.950 1.00 2.68 C ATOM 465 CD GLU A 34 -10.830 1.890 7.039 1.00 3.58 C ATOM 466 OE1 GLU A 34 -11.508 1.987 5.999 1.00 4.13 O ATOM 467 OE2 GLU A 34 -11.241 2.276 8.152 1.00 4.13 O ATOM 0 H GLU A 34 -9.795 -2.889 5.625 1.00 1.57 H new ATOM 0 HA GLU A 34 -11.380 -0.502 6.070 1.00 1.27 H new ATOM 0 HB2 GLU A 34 -9.862 -0.528 8.041 1.00 2.01 H new ATOM 0 HB3 GLU A 34 -8.482 -0.638 6.966 1.00 2.01 H new ATOM 0 HG2 GLU A 34 -8.827 1.662 7.747 1.00 2.68 H new ATOM 0 HG3 GLU A 34 -8.990 1.550 6.006 1.00 2.68 H new ATOM 474 N GLU A 35 -10.309 0.411 3.965 1.00 1.01 N ATOM 475 CA GLU A 35 -9.898 0.730 2.607 1.00 0.87 C ATOM 476 C GLU A 35 -9.107 2.029 2.573 1.00 0.73 C ATOM 477 O GLU A 35 -9.663 3.115 2.730 1.00 0.89 O ATOM 478 CB GLU A 35 -11.115 0.813 1.681 1.00 1.09 C ATOM 479 CG GLU A 35 -11.919 -0.476 1.644 1.00 1.72 C ATOM 480 CD GLU A 35 -12.950 -0.499 0.537 1.00 1.94 C ATOM 481 OE1 GLU A 35 -12.579 -0.799 -0.612 1.00 2.45 O ATOM 482 OE2 GLU A 35 -14.138 -0.231 0.816 1.00 2.36 O ATOM 0 H GLU A 35 -10.976 1.067 4.372 1.00 1.01 H new ATOM 0 HA GLU A 35 -9.250 -0.071 2.250 1.00 0.87 H new ATOM 0 HB2 GLU A 35 -11.760 1.628 2.009 1.00 1.09 H new ATOM 0 HB3 GLU A 35 -10.782 1.056 0.672 1.00 1.09 H new ATOM 0 HG2 GLU A 35 -11.239 -1.318 1.517 1.00 1.72 H new ATOM 0 HG3 GLU A 35 -12.420 -0.613 2.602 1.00 1.72 H new ATOM 489 N TRP A 36 -7.797 1.901 2.384 1.00 0.53 N ATOM 490 CA TRP A 36 -6.901 3.052 2.395 1.00 0.45 C ATOM 491 C TRP A 36 -6.719 3.590 0.982 1.00 0.46 C ATOM 492 O TRP A 36 -7.519 3.298 0.094 1.00 0.52 O ATOM 493 CB TRP A 36 -5.532 2.664 2.967 1.00 0.38 C ATOM 494 CG TRP A 36 -5.592 1.581 3.997 1.00 0.34 C ATOM 495 CD1 TRP A 36 -6.444 1.492 5.061 1.00 0.39 C ATOM 496 CD2 TRP A 36 -4.745 0.435 4.063 1.00 0.27 C ATOM 497 NE1 TRP A 36 -6.191 0.344 5.769 1.00 0.36 N ATOM 498 CE2 TRP A 36 -5.149 -0.320 5.180 1.00 0.28 C ATOM 499 CE3 TRP A 36 -3.691 -0.038 3.280 1.00 0.21 C ATOM 500 CZ2 TRP A 36 -4.521 -1.508 5.535 1.00 0.24 C ATOM 501 CZ3 TRP A 36 -3.080 -1.208 3.633 1.00 0.17 C ATOM 502 CH2 TRP A 36 -3.494 -1.938 4.745 1.00 0.19 C ATOM 0 H TRP A 36 -7.331 1.008 2.221 1.00 0.53 H new ATOM 0 HA TRP A 36 -7.346 3.823 3.024 1.00 0.45 H new ATOM 0 HB2 TRP A 36 -4.886 2.341 2.151 1.00 0.38 H new ATOM 0 HB3 TRP A 36 -5.070 3.547 3.408 1.00 0.38 H new ATOM 0 HD1 TRP A 36 -7.204 2.218 5.308 1.00 0.39 H new ATOM 0 HE1 TRP A 36 -6.697 0.036 6.599 1.00 0.36 H new ATOM 0 HE3 TRP A 36 -3.364 0.512 2.410 1.00 0.21 H new ATOM 0 HZ2 TRP A 36 -4.834 -2.070 6.403 1.00 0.24 H new ATOM 0 HZ3 TRP A 36 -2.258 -1.575 3.037 1.00 0.17 H new ATOM 0 HH2 TRP A 36 -2.992 -2.863 4.987 1.00 0.19 H new ATOM 513 N LEU A 37 -5.655 4.360 0.781 1.00 0.43 N ATOM 514 CA LEU A 37 -5.366 4.945 -0.519 1.00 0.42 C ATOM 515 C LEU A 37 -4.939 3.874 -1.514 1.00 0.37 C ATOM 516 O LEU A 37 -3.863 3.281 -1.386 1.00 0.35 O ATOM 517 CB LEU A 37 -4.263 6.003 -0.392 1.00 0.45 C ATOM 518 CG LEU A 37 -3.864 6.694 -1.702 1.00 0.46 C ATOM 519 CD1 LEU A 37 -5.029 7.490 -2.271 1.00 0.49 C ATOM 520 CD2 LEU A 37 -2.648 7.585 -1.488 1.00 0.50 C ATOM 0 H LEU A 37 -4.977 4.593 1.507 1.00 0.43 H new ATOM 0 HA LEU A 37 -6.277 5.418 -0.887 1.00 0.42 H new ATOM 0 HB2 LEU A 37 -4.592 6.764 0.315 1.00 0.45 H new ATOM 0 HB3 LEU A 37 -3.378 5.532 0.035 1.00 0.45 H new ATOM 0 HG LEU A 37 -3.598 5.925 -2.427 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -4.722 7.971 -3.200 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -5.866 6.820 -2.469 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -5.335 8.250 -1.553 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -2.380 8.067 -2.428 1.00 0.50 H new ATOM 0 HD22 LEU A 37 -2.881 8.346 -0.744 1.00 0.50 H new ATOM 0 HD23 LEU A 37 -1.811 6.981 -1.138 1.00 0.50 H new ATOM 532 N ASP A 38 -5.798 3.622 -2.487 1.00 0.38 N ATOM 533 CA ASP A 38 -5.484 2.731 -3.585 1.00 0.41 C ATOM 534 C ASP A 38 -4.456 3.364 -4.515 1.00 0.39 C ATOM 535 O ASP A 38 -4.783 4.208 -5.349 1.00 0.44 O ATOM 536 CB ASP A 38 -6.758 2.336 -4.345 1.00 0.56 C ATOM 537 CG ASP A 38 -7.762 3.469 -4.480 1.00 1.78 C ATOM 538 OD1 ASP A 38 -8.282 3.939 -3.451 1.00 2.51 O ATOM 539 OD2 ASP A 38 -8.004 3.919 -5.621 1.00 2.14 O ATOM 0 H ASP A 38 -6.731 4.030 -2.536 1.00 0.38 H new ATOM 0 HA ASP A 38 -5.046 1.821 -3.176 1.00 0.41 H new ATOM 0 HB2 ASP A 38 -6.483 1.985 -5.340 1.00 0.56 H new ATOM 0 HB3 ASP A 38 -7.233 1.500 -3.831 1.00 0.56 H new ATOM 544 N ILE A 39 -3.204 2.946 -4.337 1.00 0.38 N ATOM 545 CA ILE A 39 -2.069 3.460 -5.099 1.00 0.38 C ATOM 546 C ILE A 39 -2.342 3.474 -6.602 1.00 0.39 C ATOM 547 O ILE A 39 -2.109 4.476 -7.279 1.00 0.46 O ATOM 548 CB ILE A 39 -0.811 2.611 -4.814 1.00 0.39 C ATOM 549 CG1 ILE A 39 -0.506 2.616 -3.309 1.00 0.40 C ATOM 550 CG2 ILE A 39 0.375 3.107 -5.631 1.00 0.41 C ATOM 551 CD1 ILE A 39 0.845 2.029 -2.949 1.00 0.43 C ATOM 0 H ILE A 39 -2.947 2.234 -3.653 1.00 0.38 H new ATOM 0 HA ILE A 39 -1.906 4.489 -4.779 1.00 0.38 H new ATOM 0 HB ILE A 39 -1.001 1.582 -5.118 1.00 0.39 H new ATOM 0 HG12 ILE A 39 -0.554 3.642 -2.943 1.00 0.40 H new ATOM 0 HG13 ILE A 39 -1.284 2.056 -2.790 1.00 0.40 H new ATOM 0 HG21 ILE A 39 1.249 2.493 -5.413 1.00 0.41 H new ATOM 0 HG22 ILE A 39 0.139 3.039 -6.693 1.00 0.41 H new ATOM 0 HG23 ILE A 39 0.587 4.145 -5.372 1.00 0.41 H new ATOM 0 HD11 ILE A 39 0.983 2.070 -1.869 1.00 0.43 H new ATOM 0 HD12 ILE A 39 0.892 0.992 -3.282 1.00 0.43 H new ATOM 0 HD13 ILE A 39 1.633 2.603 -3.437 1.00 0.43 H new ATOM 563 N LEU A 40 -2.836 2.363 -7.123 1.00 0.39 N ATOM 564 CA LEU A 40 -3.085 2.262 -8.554 1.00 0.49 C ATOM 565 C LEU A 40 -4.572 2.335 -8.857 1.00 0.49 C ATOM 566 O LEU A 40 -4.989 2.187 -10.005 1.00 0.62 O ATOM 567 CB LEU A 40 -2.495 0.969 -9.107 1.00 0.56 C ATOM 568 CG LEU A 40 -0.979 0.819 -8.931 1.00 0.59 C ATOM 569 CD1 LEU A 40 -0.509 -0.511 -9.501 1.00 0.62 C ATOM 570 CD2 LEU A 40 -0.240 1.968 -9.604 1.00 0.72 C ATOM 0 H LEU A 40 -3.070 1.528 -6.586 1.00 0.39 H new ATOM 0 HA LEU A 40 -2.598 3.107 -9.041 1.00 0.49 H new ATOM 0 HB2 LEU A 40 -2.987 0.126 -8.621 1.00 0.56 H new ATOM 0 HB3 LEU A 40 -2.730 0.906 -10.169 1.00 0.56 H new ATOM 0 HG LEU A 40 -0.756 0.844 -7.864 1.00 0.59 H new ATOM 0 HD11 LEU A 40 0.569 -0.603 -9.369 1.00 0.62 H new ATOM 0 HD12 LEU A 40 -1.009 -1.327 -8.980 1.00 0.62 H new ATOM 0 HD13 LEU A 40 -0.749 -0.557 -10.563 1.00 0.62 H new ATOM 0 HD21 LEU A 40 0.834 1.840 -9.466 1.00 0.72 H new ATOM 0 HD22 LEU A 40 -0.471 1.975 -10.669 1.00 0.72 H new ATOM 0 HD23 LEU A 40 -0.553 2.912 -9.159 1.00 0.72 H new ATOM 582 N GLY A 41 -5.363 2.569 -7.820 1.00 0.43 N ATOM 583 CA GLY A 41 -6.802 2.654 -7.974 1.00 0.51 C ATOM 584 C GLY A 41 -7.422 1.325 -8.339 1.00 0.45 C ATOM 585 O GLY A 41 -8.538 1.262 -8.853 1.00 0.52 O ATOM 0 H GLY A 41 -5.030 2.703 -6.865 1.00 0.43 H new ATOM 0 HA2 GLY A 41 -7.243 3.015 -7.045 1.00 0.51 H new ATOM 0 HA3 GLY A 41 -7.039 3.387 -8.745 1.00 0.51 H new ATOM 589 N ASN A 42 -6.681 0.258 -8.089 1.00 0.39 N ATOM 590 CA ASN A 42 -7.144 -1.085 -8.402 1.00 0.42 C ATOM 591 C ASN A 42 -7.731 -1.785 -7.174 1.00 0.43 C ATOM 592 O ASN A 42 -8.529 -2.708 -7.303 1.00 0.56 O ATOM 593 CB ASN A 42 -6.002 -1.900 -9.025 1.00 0.49 C ATOM 594 CG ASN A 42 -4.677 -1.804 -8.275 1.00 0.55 C ATOM 595 OD1 ASN A 42 -4.712 -1.623 -6.962 1.00 0.95 O flip ATOM 596 ND2 ASN A 42 -3.617 -1.900 -8.876 1.00 0.44 N flip ATOM 0 H ASN A 42 -5.752 0.296 -7.668 1.00 0.39 H new ATOM 0 HA ASN A 42 -7.952 -1.008 -9.130 1.00 0.42 H new ATOM 0 HB2 ASN A 42 -6.303 -2.946 -9.073 1.00 0.49 H new ATOM 0 HB3 ASN A 42 -5.850 -1.564 -10.051 1.00 0.49 H new ATOM 0 HD21 ASN A 42 -3.614 -2.039 -9.886 1.00 0.44 H new ATOM 0 HD22 ASN A 42 -2.735 -1.841 -8.367 1.00 0.44 H new ATOM 603 N GLY A 43 -7.330 -1.355 -5.981 1.00 0.40 N ATOM 604 CA GLY A 43 -7.942 -1.877 -4.774 1.00 0.50 C ATOM 605 C GLY A 43 -7.065 -2.861 -4.021 1.00 0.45 C ATOM 606 O GLY A 43 -7.177 -2.982 -2.805 1.00 0.72 O ATOM 0 H GLY A 43 -6.599 -0.660 -5.830 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -8.189 -1.046 -4.114 1.00 0.50 H new ATOM 0 HA3 GLY A 43 -8.880 -2.366 -5.035 1.00 0.50 H new ATOM 610 N LEU A 44 -6.175 -3.550 -4.726 1.00 0.29 N ATOM 611 CA LEU A 44 -5.372 -4.600 -4.102 1.00 0.36 C ATOM 612 C LEU A 44 -4.023 -4.073 -3.630 1.00 0.25 C ATOM 613 O LEU A 44 -3.285 -4.765 -2.940 1.00 0.27 O ATOM 614 CB LEU A 44 -5.205 -5.837 -5.020 1.00 0.60 C ATOM 615 CG LEU A 44 -4.874 -5.631 -6.516 1.00 0.51 C ATOM 616 CD1 LEU A 44 -6.113 -5.269 -7.324 1.00 1.46 C ATOM 617 CD2 LEU A 44 -3.795 -4.590 -6.715 1.00 1.56 C ATOM 0 H LEU A 44 -5.991 -3.405 -5.719 1.00 0.29 H new ATOM 0 HA LEU A 44 -5.923 -4.930 -3.221 1.00 0.36 H new ATOM 0 HB2 LEU A 44 -4.417 -6.458 -4.593 1.00 0.60 H new ATOM 0 HB3 LEU A 44 -6.129 -6.412 -4.965 1.00 0.60 H new ATOM 0 HG LEU A 44 -4.496 -6.585 -6.884 1.00 0.51 H new ATOM 0 HD11 LEU A 44 -5.838 -5.133 -8.370 1.00 1.46 H new ATOM 0 HD12 LEU A 44 -6.847 -6.071 -7.243 1.00 1.46 H new ATOM 0 HD13 LEU A 44 -6.542 -4.344 -6.938 1.00 1.46 H new ATOM 0 HD21 LEU A 44 -3.592 -4.475 -7.780 1.00 1.56 H new ATOM 0 HD22 LEU A 44 -4.129 -3.637 -6.305 1.00 1.56 H new ATOM 0 HD23 LEU A 44 -2.886 -4.906 -6.204 1.00 1.56 H new ATOM 629 N LEU A 45 -3.696 -2.864 -4.046 1.00 0.23 N ATOM 630 CA LEU A 45 -2.490 -2.187 -3.593 1.00 0.22 C ATOM 631 C LEU A 45 -2.843 -0.858 -2.923 1.00 0.22 C ATOM 632 O LEU A 45 -3.259 0.089 -3.596 1.00 0.32 O ATOM 633 CB LEU A 45 -1.531 -1.985 -4.769 1.00 0.30 C ATOM 634 CG LEU A 45 -0.344 -1.067 -4.501 1.00 0.26 C ATOM 635 CD1 LEU A 45 0.454 -1.557 -3.309 1.00 0.28 C ATOM 636 CD2 LEU A 45 0.535 -0.980 -5.733 1.00 0.31 C ATOM 0 H LEU A 45 -4.255 -2.323 -4.705 1.00 0.23 H new ATOM 0 HA LEU A 45 -1.989 -2.807 -2.850 1.00 0.22 H new ATOM 0 HB2 LEU A 45 -1.152 -2.959 -5.077 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -2.096 -1.583 -5.610 1.00 0.30 H new ATOM 0 HG LEU A 45 -0.720 -0.071 -4.269 1.00 0.26 H new ATOM 0 HD11 LEU A 45 1.296 -0.888 -3.135 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -0.184 -1.574 -2.426 1.00 0.28 H new ATOM 0 HD13 LEU A 45 0.825 -2.563 -3.508 1.00 0.28 H new ATOM 0 HD21 LEU A 45 1.380 -0.322 -5.531 1.00 0.31 H new ATOM 0 HD22 LEU A 45 0.902 -1.974 -5.989 1.00 0.31 H new ATOM 0 HD23 LEU A 45 -0.044 -0.582 -6.566 1.00 0.31 H new ATOM 648 N ARG A 46 -2.705 -0.803 -1.599 1.00 0.20 N ATOM 649 CA ARG A 46 -3.052 0.398 -0.831 1.00 0.22 C ATOM 650 C ARG A 46 -2.071 0.630 0.315 1.00 0.19 C ATOM 651 O ARG A 46 -1.667 -0.320 0.973 1.00 0.19 O ATOM 652 CB ARG A 46 -4.459 0.263 -0.251 1.00 0.25 C ATOM 653 CG ARG A 46 -5.540 0.156 -1.307 1.00 0.36 C ATOM 654 CD ARG A 46 -6.908 -0.066 -0.695 1.00 0.37 C ATOM 655 NE ARG A 46 -6.976 -1.342 0.011 1.00 0.54 N ATOM 656 CZ ARG A 46 -8.109 -1.992 0.278 1.00 0.75 C ATOM 657 NH1 ARG A 46 -9.277 -1.519 -0.157 1.00 1.14 N ATOM 658 NH2 ARG A 46 -8.067 -3.120 0.971 1.00 0.99 N ATOM 0 H ARG A 46 -2.355 -1.576 -1.033 1.00 0.20 H new ATOM 0 HA ARG A 46 -3.005 1.247 -1.513 1.00 0.22 H new ATOM 0 HB2 ARG A 46 -4.497 -0.620 0.387 1.00 0.25 H new ATOM 0 HB3 ARG A 46 -4.666 1.125 0.384 1.00 0.25 H new ATOM 0 HG2 ARG A 46 -5.554 1.067 -1.906 1.00 0.36 H new ATOM 0 HG3 ARG A 46 -5.307 -0.667 -1.983 1.00 0.36 H new ATOM 0 HD2 ARG A 46 -7.135 0.746 -0.004 1.00 0.37 H new ATOM 0 HD3 ARG A 46 -7.667 -0.041 -1.477 1.00 0.37 H new ATOM 0 HE ARG A 46 -6.100 -1.763 0.320 1.00 0.54 H new ATOM 0 HH11 ARG A 46 -9.308 -0.655 -0.698 1.00 1.14 H new ATOM 0 HH12 ARG A 46 -10.140 -2.021 0.051 1.00 1.14 H new ATOM 0 HH21 ARG A 46 -7.172 -3.486 1.296 1.00 0.99 H new ATOM 0 HH22 ARG A 46 -8.930 -3.623 1.179 1.00 0.99 H new ATOM 672 N LYS A 47 -1.726 1.891 0.578 1.00 0.20 N ATOM 673 CA LYS A 47 -0.817 2.226 1.678 1.00 0.17 C ATOM 674 C LYS A 47 -1.580 2.958 2.780 1.00 0.18 C ATOM 675 O LYS A 47 -2.288 3.925 2.504 1.00 0.22 O ATOM 676 CB LYS A 47 0.338 3.128 1.204 1.00 0.23 C ATOM 677 CG LYS A 47 1.469 3.224 2.222 1.00 0.25 C ATOM 678 CD LYS A 47 2.268 4.523 2.139 1.00 0.32 C ATOM 679 CE LYS A 47 1.441 5.738 2.536 1.00 0.20 C ATOM 680 NZ LYS A 47 2.299 6.904 2.901 1.00 0.35 N ATOM 0 H LYS A 47 -2.060 2.695 0.047 1.00 0.20 H new ATOM 0 HA LYS A 47 -0.403 1.290 2.055 1.00 0.17 H new ATOM 0 HB2 LYS A 47 0.733 2.741 0.265 1.00 0.23 H new ATOM 0 HB3 LYS A 47 -0.047 4.127 1.001 1.00 0.23 H new ATOM 0 HG2 LYS A 47 1.051 3.129 3.224 1.00 0.25 H new ATOM 0 HG3 LYS A 47 2.147 2.382 2.078 1.00 0.25 H new ATOM 0 HD2 LYS A 47 3.140 4.452 2.789 1.00 0.32 H new ATOM 0 HD3 LYS A 47 2.638 4.655 1.122 1.00 0.32 H new ATOM 0 HE2 LYS A 47 0.785 6.015 1.711 1.00 0.20 H new ATOM 0 HE3 LYS A 47 0.801 5.481 3.380 1.00 0.20 H new ATOM 0 HZ1 LYS A 47 1.726 7.614 3.400 1.00 0.35 H new ATOM 0 HZ2 LYS A 47 3.072 6.586 3.519 1.00 0.35 H new ATOM 0 HZ3 LYS A 47 2.697 7.326 2.038 1.00 0.35 H new ATOM 694 N LYS A 48 -1.437 2.503 4.019 1.00 0.16 N ATOM 695 CA LYS A 48 -2.042 3.192 5.150 1.00 0.18 C ATOM 696 C LYS A 48 -0.985 3.887 5.984 1.00 0.17 C ATOM 697 O LYS A 48 -0.004 3.269 6.401 1.00 0.22 O ATOM 698 CB LYS A 48 -2.808 2.234 6.059 1.00 0.25 C ATOM 699 CG LYS A 48 -3.736 2.961 7.016 1.00 0.32 C ATOM 700 CD LYS A 48 -3.720 2.361 8.414 1.00 0.69 C ATOM 701 CE LYS A 48 -4.257 0.935 8.452 1.00 0.52 C ATOM 702 NZ LYS A 48 -4.621 0.537 9.839 1.00 1.07 N ATOM 0 H LYS A 48 -0.910 1.665 4.264 1.00 0.16 H new ATOM 0 HA LYS A 48 -2.736 3.921 4.731 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -3.389 1.544 5.447 1.00 0.25 H new ATOM 0 HB3 LYS A 48 -2.099 1.634 6.630 1.00 0.25 H new ATOM 0 HG2 LYS A 48 -3.446 4.010 7.071 1.00 0.32 H new ATOM 0 HG3 LYS A 48 -4.752 2.932 6.623 1.00 0.32 H new ATOM 0 HD2 LYS A 48 -2.699 2.370 8.796 1.00 0.69 H new ATOM 0 HD3 LYS A 48 -4.315 2.986 9.079 1.00 0.69 H new ATOM 0 HE2 LYS A 48 -5.131 0.855 7.806 1.00 0.52 H new ATOM 0 HE3 LYS A 48 -3.506 0.250 8.059 1.00 0.52 H new ATOM 0 HZ1 LYS A 48 -4.984 -0.438 9.837 1.00 1.07 H new ATOM 0 HZ2 LYS A 48 -3.780 0.592 10.448 1.00 1.07 H new ATOM 0 HZ3 LYS A 48 -5.354 1.178 10.203 1.00 1.07 H new ATOM 716 N THR A 49 -1.201 5.160 6.244 1.00 0.18 N ATOM 717 CA THR A 49 -0.320 5.923 7.097 1.00 0.20 C ATOM 718 C THR A 49 -0.625 5.663 8.563 1.00 0.21 C ATOM 719 O THR A 49 -1.603 6.173 9.101 1.00 0.29 O ATOM 720 CB THR A 49 -0.460 7.423 6.806 1.00 0.25 C ATOM 721 OG1 THR A 49 -1.844 7.748 6.593 1.00 0.33 O ATOM 722 CG2 THR A 49 0.364 7.815 5.593 1.00 0.25 C ATOM 0 H THR A 49 -1.988 5.691 5.871 1.00 0.18 H new ATOM 0 HA THR A 49 0.702 5.608 6.888 1.00 0.20 H new ATOM 0 HB THR A 49 -0.088 7.982 7.664 1.00 0.25 H new ATOM 0 HG1 THR A 49 -2.382 7.388 7.329 1.00 0.33 H new ATOM 0 HG21 THR A 49 0.250 8.883 5.405 1.00 0.25 H new ATOM 0 HG22 THR A 49 1.414 7.589 5.778 1.00 0.25 H new ATOM 0 HG23 THR A 49 0.021 7.255 4.723 1.00 0.25 H new ATOM 730 N LEU A 50 0.188 4.829 9.193 1.00 0.18 N ATOM 731 CA LEU A 50 0.113 4.656 10.636 1.00 0.21 C ATOM 732 C LEU A 50 0.580 5.952 11.263 1.00 0.23 C ATOM 733 O LEU A 50 -0.088 6.559 12.101 1.00 0.28 O ATOM 734 CB LEU A 50 1.021 3.510 11.073 1.00 0.21 C ATOM 735 CG LEU A 50 0.986 2.278 10.171 1.00 0.20 C ATOM 736 CD1 LEU A 50 2.156 1.365 10.478 1.00 0.21 C ATOM 737 CD2 LEU A 50 -0.318 1.535 10.343 1.00 0.24 C ATOM 0 H LEU A 50 0.902 4.265 8.732 1.00 0.18 H new ATOM 0 HA LEU A 50 -0.904 4.417 10.946 1.00 0.21 H new ATOM 0 HB2 LEU A 50 2.046 3.877 11.121 1.00 0.21 H new ATOM 0 HB3 LEU A 50 0.742 3.210 12.083 1.00 0.21 H new ATOM 0 HG LEU A 50 1.064 2.607 9.135 1.00 0.20 H new ATOM 0 HD11 LEU A 50 2.117 0.492 9.827 1.00 0.21 H new ATOM 0 HD12 LEU A 50 3.090 1.901 10.310 1.00 0.21 H new ATOM 0 HD13 LEU A 50 2.104 1.044 11.518 1.00 0.21 H new ATOM 0 HD21 LEU A 50 -0.327 0.660 9.693 1.00 0.24 H new ATOM 0 HD22 LEU A 50 -0.422 1.218 11.381 1.00 0.24 H new ATOM 0 HD23 LEU A 50 -1.148 2.191 10.079 1.00 0.24 H new ATOM 749 N VAL A 51 1.744 6.357 10.804 1.00 0.23 N ATOM 750 CA VAL A 51 2.312 7.658 11.078 1.00 0.27 C ATOM 751 C VAL A 51 2.918 8.138 9.796 1.00 0.24 C ATOM 752 O VAL A 51 3.685 7.400 9.200 1.00 0.23 O ATOM 753 CB VAL A 51 3.441 7.592 12.109 1.00 0.30 C ATOM 754 CG1 VAL A 51 4.038 8.967 12.367 1.00 0.36 C ATOM 755 CG2 VAL A 51 2.948 6.970 13.390 1.00 0.36 C ATOM 0 H VAL A 51 2.337 5.774 10.214 1.00 0.23 H new ATOM 0 HA VAL A 51 1.529 8.308 11.467 1.00 0.27 H new ATOM 0 HB VAL A 51 4.233 6.963 11.702 1.00 0.30 H new ATOM 0 HG11 VAL A 51 4.837 8.884 13.104 1.00 0.36 H new ATOM 0 HG12 VAL A 51 4.442 9.369 11.438 1.00 0.36 H new ATOM 0 HG13 VAL A 51 3.264 9.635 12.745 1.00 0.36 H new ATOM 0 HG21 VAL A 51 3.763 6.931 14.113 1.00 0.36 H new ATOM 0 HG22 VAL A 51 2.133 7.569 13.795 1.00 0.36 H new ATOM 0 HG23 VAL A 51 2.591 5.960 13.190 1.00 0.36 H new ATOM 765 N PRO A 52 2.559 9.322 9.326 1.00 0.29 N ATOM 766 CA PRO A 52 3.110 9.884 8.109 1.00 0.32 C ATOM 767 C PRO A 52 4.155 10.966 8.358 1.00 0.34 C ATOM 768 O PRO A 52 3.968 12.133 8.014 1.00 0.54 O ATOM 769 CB PRO A 52 1.850 10.437 7.483 1.00 0.41 C ATOM 770 CG PRO A 52 1.032 10.938 8.641 1.00 0.46 C ATOM 771 CD PRO A 52 1.515 10.197 9.869 1.00 0.37 C ATOM 0 HA PRO A 52 3.659 9.169 7.497 1.00 0.32 H new ATOM 0 HB2 PRO A 52 2.077 11.240 6.782 1.00 0.41 H new ATOM 0 HB3 PRO A 52 1.316 9.668 6.925 1.00 0.41 H new ATOM 0 HG2 PRO A 52 1.155 12.014 8.765 1.00 0.46 H new ATOM 0 HG3 PRO A 52 -0.029 10.756 8.472 1.00 0.46 H new ATOM 0 HD2 PRO A 52 1.909 10.877 10.624 1.00 0.37 H new ATOM 0 HD3 PRO A 52 0.714 9.628 10.340 1.00 0.37 H new ATOM 779 N GLY A 53 5.258 10.551 8.964 1.00 0.24 N ATOM 780 CA GLY A 53 6.377 11.435 9.184 1.00 0.28 C ATOM 781 C GLY A 53 6.165 12.383 10.344 1.00 0.29 C ATOM 782 O GLY A 53 5.064 12.464 10.898 1.00 0.55 O ATOM 0 H GLY A 53 5.395 9.602 9.311 1.00 0.24 H new ATOM 0 HA2 GLY A 53 7.272 10.840 9.367 1.00 0.28 H new ATOM 0 HA3 GLY A 53 6.559 12.013 8.278 1.00 0.28 H new ATOM 786 N PRO A 54 7.225 13.082 10.764 1.00 0.52 N ATOM 787 CA PRO A 54 7.114 14.151 11.747 1.00 0.67 C ATOM 788 C PRO A 54 6.564 15.419 11.098 1.00 0.78 C ATOM 789 O PRO A 54 6.462 15.490 9.871 1.00 1.20 O ATOM 790 CB PRO A 54 8.560 14.352 12.204 1.00 1.03 C ATOM 791 CG PRO A 54 9.383 13.961 11.027 1.00 1.42 C ATOM 792 CD PRO A 54 8.616 12.879 10.313 1.00 0.91 C ATOM 0 HA PRO A 54 6.436 13.917 12.568 1.00 0.67 H new ATOM 0 HB2 PRO A 54 8.745 15.387 12.491 1.00 1.03 H new ATOM 0 HB3 PRO A 54 8.791 13.735 13.072 1.00 1.03 H new ATOM 0 HG2 PRO A 54 9.553 14.815 10.371 1.00 1.42 H new ATOM 0 HG3 PRO A 54 10.363 13.600 11.341 1.00 1.42 H new ATOM 0 HD2 PRO A 54 8.704 12.973 9.231 1.00 0.91 H new ATOM 0 HD3 PRO A 54 8.982 11.887 10.578 1.00 0.91 H new ATOM 800 N PRO A 55 6.186 16.429 11.900 1.00 0.97 N ATOM 801 CA PRO A 55 5.697 17.708 11.377 1.00 1.24 C ATOM 802 C PRO A 55 6.757 18.428 10.549 1.00 0.93 C ATOM 803 O PRO A 55 7.497 19.271 11.059 1.00 1.20 O ATOM 804 CB PRO A 55 5.350 18.514 12.635 1.00 1.81 C ATOM 805 CG PRO A 55 5.213 17.500 13.717 1.00 2.04 C ATOM 806 CD PRO A 55 6.172 16.399 13.372 1.00 1.47 C ATOM 0 HA PRO A 55 4.848 17.576 10.706 1.00 1.24 H new ATOM 0 HB2 PRO A 55 6.132 19.237 12.868 1.00 1.81 H new ATOM 0 HB3 PRO A 55 4.426 19.076 12.501 1.00 1.81 H new ATOM 0 HG2 PRO A 55 5.448 17.932 14.690 1.00 2.04 H new ATOM 0 HG3 PRO A 55 4.191 17.125 13.774 1.00 2.04 H new ATOM 0 HD2 PRO A 55 7.162 16.579 13.790 1.00 1.47 H new ATOM 0 HD3 PRO A 55 5.836 15.435 13.754 1.00 1.47 H new ATOM 814 N GLY A 56 6.840 18.072 9.277 1.00 0.98 N ATOM 815 CA GLY A 56 7.831 18.654 8.397 1.00 0.82 C ATOM 816 C GLY A 56 8.762 17.609 7.813 1.00 0.64 C ATOM 817 O GLY A 56 9.984 17.770 7.837 1.00 0.69 O ATOM 0 H GLY A 56 6.232 17.383 8.835 1.00 0.98 H new ATOM 0 HA2 GLY A 56 7.329 19.184 7.588 1.00 0.82 H new ATOM 0 HA3 GLY A 56 8.415 19.392 8.947 1.00 0.82 H new ATOM 821 N SER A 57 8.186 16.531 7.297 1.00 0.52 N ATOM 822 CA SER A 57 8.945 15.471 6.685 1.00 0.40 C ATOM 823 C SER A 57 9.192 15.759 5.207 1.00 0.34 C ATOM 824 O SER A 57 8.900 16.852 4.708 1.00 0.43 O ATOM 825 CB SER A 57 8.176 14.170 6.843 1.00 0.40 C ATOM 826 OG SER A 57 6.792 14.379 6.632 1.00 0.99 O ATOM 0 H SER A 57 7.178 16.376 7.296 1.00 0.52 H new ATOM 0 HA SER A 57 9.916 15.395 7.175 1.00 0.40 H new ATOM 0 HB2 SER A 57 8.550 13.432 6.133 1.00 0.40 H new ATOM 0 HB3 SER A 57 8.340 13.764 7.841 1.00 0.40 H new ATOM 0 HG SER A 57 6.595 14.325 5.673 1.00 0.99 H new ATOM 832 N SER A 58 9.743 14.778 4.517 1.00 0.28 N ATOM 833 CA SER A 58 9.994 14.872 3.093 1.00 0.30 C ATOM 834 C SER A 58 9.981 13.474 2.505 1.00 0.27 C ATOM 835 O SER A 58 10.691 12.600 2.993 1.00 0.38 O ATOM 836 CB SER A 58 11.359 15.505 2.834 1.00 0.38 C ATOM 837 OG SER A 58 11.541 16.692 3.592 1.00 1.28 O ATOM 0 H SER A 58 10.030 13.891 4.931 1.00 0.28 H new ATOM 0 HA SER A 58 9.224 15.491 2.633 1.00 0.30 H new ATOM 0 HB2 SER A 58 12.144 14.791 3.082 1.00 0.38 H new ATOM 0 HB3 SER A 58 11.459 15.732 1.773 1.00 0.38 H new ATOM 0 HG SER A 58 12.426 17.069 3.402 1.00 1.28 H new ATOM 843 N ARG A 59 9.194 13.244 1.474 1.00 0.32 N ATOM 844 CA ARG A 59 9.191 11.935 0.852 1.00 0.30 C ATOM 845 C ARG A 59 10.217 11.867 -0.269 1.00 0.27 C ATOM 846 O ARG A 59 10.210 12.686 -1.187 1.00 0.34 O ATOM 847 CB ARG A 59 7.802 11.528 0.366 1.00 0.42 C ATOM 848 CG ARG A 59 7.013 12.599 -0.354 1.00 0.64 C ATOM 849 CD ARG A 59 5.657 12.043 -0.745 1.00 0.68 C ATOM 850 NE ARG A 59 4.812 13.008 -1.440 1.00 1.41 N ATOM 851 CZ ARG A 59 3.766 12.665 -2.185 1.00 1.81 C ATOM 852 NH1 ARG A 59 3.516 11.382 -2.438 1.00 1.78 N ATOM 853 NH2 ARG A 59 2.979 13.601 -2.696 1.00 2.81 N ATOM 0 H ARG A 59 8.562 13.927 1.057 1.00 0.32 H new ATOM 0 HA ARG A 59 9.476 11.212 1.617 1.00 0.30 H new ATOM 0 HB2 ARG A 59 7.908 10.672 -0.301 1.00 0.42 H new ATOM 0 HB3 ARG A 59 7.222 11.192 1.225 1.00 0.42 H new ATOM 0 HG2 ARG A 59 6.890 13.471 0.289 1.00 0.64 H new ATOM 0 HG3 ARG A 59 7.553 12.931 -1.241 1.00 0.64 H new ATOM 0 HD2 ARG A 59 5.801 11.171 -1.383 1.00 0.68 H new ATOM 0 HD3 ARG A 59 5.141 11.700 0.152 1.00 0.68 H new ATOM 0 HE ARG A 59 5.036 13.999 -1.349 1.00 1.41 H new ATOM 0 HH11 ARG A 59 4.128 10.659 -2.060 1.00 1.78 H new ATOM 0 HH12 ARG A 59 2.712 11.122 -3.010 1.00 1.78 H new ATOM 0 HH21 ARG A 59 3.176 14.586 -2.518 1.00 2.81 H new ATOM 0 HH22 ARG A 59 2.177 13.336 -3.268 1.00 2.81 H new ATOM 867 N PRO A 60 11.138 10.893 -0.162 1.00 0.23 N ATOM 868 CA PRO A 60 12.262 10.723 -1.091 1.00 0.26 C ATOM 869 C PRO A 60 11.838 10.574 -2.545 1.00 0.26 C ATOM 870 O PRO A 60 10.723 10.142 -2.848 1.00 0.28 O ATOM 871 CB PRO A 60 12.939 9.431 -0.612 1.00 0.30 C ATOM 872 CG PRO A 60 11.934 8.765 0.263 1.00 0.28 C ATOM 873 CD PRO A 60 11.160 9.876 0.898 1.00 0.21 C ATOM 0 HA PRO A 60 12.906 11.602 -1.080 1.00 0.26 H new ATOM 0 HB2 PRO A 60 13.212 8.794 -1.453 1.00 0.30 H new ATOM 0 HB3 PRO A 60 13.856 9.647 -0.064 1.00 0.30 H new ATOM 0 HG2 PRO A 60 11.281 8.112 -0.316 1.00 0.28 H new ATOM 0 HG3 PRO A 60 12.419 8.144 1.016 1.00 0.28 H new ATOM 0 HD2 PRO A 60 10.155 9.561 1.180 1.00 0.21 H new ATOM 0 HD3 PRO A 60 11.645 10.243 1.803 1.00 0.21 H new ATOM 881 N VAL A 61 12.748 10.925 -3.438 1.00 0.29 N ATOM 882 CA VAL A 61 12.512 10.796 -4.863 1.00 0.31 C ATOM 883 C VAL A 61 13.083 9.468 -5.353 1.00 0.28 C ATOM 884 O VAL A 61 14.001 8.920 -4.745 1.00 0.27 O ATOM 885 CB VAL A 61 13.160 11.959 -5.647 1.00 0.40 C ATOM 886 CG1 VAL A 61 12.676 11.979 -7.092 1.00 0.81 C ATOM 887 CG2 VAL A 61 12.875 13.289 -4.964 1.00 0.88 C ATOM 0 H VAL A 61 13.664 11.304 -3.197 1.00 0.29 H new ATOM 0 HA VAL A 61 11.436 10.828 -5.036 1.00 0.31 H new ATOM 0 HB VAL A 61 14.239 11.802 -5.656 1.00 0.40 H new ATOM 0 HG11 VAL A 61 13.147 12.807 -7.622 1.00 0.81 H new ATOM 0 HG12 VAL A 61 12.941 11.040 -7.577 1.00 0.81 H new ATOM 0 HG13 VAL A 61 11.593 12.105 -7.111 1.00 0.81 H new ATOM 0 HG21 VAL A 61 13.339 14.096 -5.531 1.00 0.88 H new ATOM 0 HG22 VAL A 61 11.798 13.451 -4.918 1.00 0.88 H new ATOM 0 HG23 VAL A 61 13.283 13.274 -3.953 1.00 0.88 H new ATOM 897 N LYS A 62 12.534 8.937 -6.428 1.00 0.27 N ATOM 898 CA LYS A 62 13.038 7.698 -6.993 1.00 0.27 C ATOM 899 C LYS A 62 14.424 7.931 -7.562 1.00 0.25 C ATOM 900 O LYS A 62 14.623 8.757 -8.451 1.00 0.31 O ATOM 901 CB LYS A 62 12.079 7.160 -8.058 1.00 0.30 C ATOM 902 CG LYS A 62 10.621 7.182 -7.621 1.00 0.37 C ATOM 903 CD LYS A 62 9.760 6.292 -8.500 1.00 0.41 C ATOM 904 CE LYS A 62 9.778 4.857 -8.011 1.00 0.60 C ATOM 905 NZ LYS A 62 9.186 3.925 -9.001 1.00 1.17 N ATOM 0 H LYS A 62 11.742 9.341 -6.927 1.00 0.27 H new ATOM 0 HA LYS A 62 13.106 6.944 -6.209 1.00 0.27 H new ATOM 0 HB2 LYS A 62 12.188 7.752 -8.967 1.00 0.30 H new ATOM 0 HB3 LYS A 62 12.361 6.137 -8.308 1.00 0.30 H new ATOM 0 HG2 LYS A 62 10.546 6.852 -6.585 1.00 0.37 H new ATOM 0 HG3 LYS A 62 10.245 8.204 -7.658 1.00 0.37 H new ATOM 0 HD2 LYS A 62 8.736 6.664 -8.506 1.00 0.41 H new ATOM 0 HD3 LYS A 62 10.120 6.333 -9.528 1.00 0.41 H new ATOM 0 HE2 LYS A 62 10.805 4.558 -7.801 1.00 0.60 H new ATOM 0 HE3 LYS A 62 9.228 4.787 -7.073 1.00 0.60 H new ATOM 0 HZ1 LYS A 62 9.172 2.963 -8.607 1.00 1.17 H new ATOM 0 HZ2 LYS A 62 8.214 4.224 -9.221 1.00 1.17 H new ATOM 0 HZ3 LYS A 62 9.756 3.934 -9.871 1.00 1.17 H new ATOM 919 N GLY A 63 15.375 7.207 -7.015 1.00 0.25 N ATOM 920 CA GLY A 63 16.762 7.444 -7.301 1.00 0.27 C ATOM 921 C GLY A 63 17.541 7.584 -6.019 1.00 0.30 C ATOM 922 O GLY A 63 18.749 7.359 -5.977 1.00 0.42 O ATOM 0 H GLY A 63 15.204 6.442 -6.363 1.00 0.25 H new ATOM 0 HA2 GLY A 63 17.165 6.621 -7.892 1.00 0.27 H new ATOM 0 HA3 GLY A 63 16.868 8.348 -7.900 1.00 0.27 H new ATOM 926 N GLN A 64 16.846 7.951 -4.953 1.00 0.26 N ATOM 927 CA GLN A 64 17.485 8.038 -3.656 1.00 0.28 C ATOM 928 C GLN A 64 17.577 6.652 -3.050 1.00 0.24 C ATOM 929 O GLN A 64 16.678 5.827 -3.221 1.00 0.24 O ATOM 930 CB GLN A 64 16.726 8.962 -2.698 1.00 0.30 C ATOM 931 CG GLN A 64 16.195 10.266 -3.302 1.00 0.36 C ATOM 932 CD GLN A 64 17.240 11.164 -3.955 1.00 0.44 C ATOM 933 OE1 GLN A 64 18.198 10.590 -4.663 1.00 0.59 O flip ATOM 934 NE2 GLN A 64 17.137 12.386 -3.868 1.00 0.43 N flip ATOM 0 H GLN A 64 15.854 8.189 -4.962 1.00 0.26 H new ATOM 0 HA GLN A 64 18.479 8.460 -3.803 1.00 0.28 H new ATOM 0 HB2 GLN A 64 15.884 8.409 -2.282 1.00 0.30 H new ATOM 0 HB3 GLN A 64 17.386 9.212 -1.867 1.00 0.30 H new ATOM 0 HG2 GLN A 64 15.438 10.019 -4.047 1.00 0.36 H new ATOM 0 HG3 GLN A 64 15.696 10.832 -2.516 1.00 0.36 H new ATOM 0 HE21 GLN A 64 16.386 12.796 -3.313 1.00 0.43 H new ATOM 0 HE22 GLN A 64 17.803 12.990 -4.351 1.00 0.43 H new ATOM 943 N VAL A 65 18.673 6.397 -2.369 1.00 0.28 N ATOM 944 CA VAL A 65 18.841 5.158 -1.648 1.00 0.31 C ATOM 945 C VAL A 65 18.172 5.293 -0.292 1.00 0.25 C ATOM 946 O VAL A 65 18.483 6.200 0.475 1.00 0.32 O ATOM 947 CB VAL A 65 20.333 4.799 -1.502 1.00 0.49 C ATOM 948 CG1 VAL A 65 20.524 3.617 -0.572 1.00 1.22 C ATOM 949 CG2 VAL A 65 20.924 4.484 -2.862 1.00 1.05 C ATOM 0 H VAL A 65 19.464 7.037 -2.301 1.00 0.28 H new ATOM 0 HA VAL A 65 18.374 4.345 -2.204 1.00 0.31 H new ATOM 0 HB VAL A 65 20.848 5.658 -1.071 1.00 0.49 H new ATOM 0 HG11 VAL A 65 21.586 3.387 -0.489 1.00 1.22 H new ATOM 0 HG12 VAL A 65 20.127 3.862 0.413 1.00 1.22 H new ATOM 0 HG13 VAL A 65 19.996 2.751 -0.971 1.00 1.22 H new ATOM 0 HG21 VAL A 65 21.978 4.231 -2.751 1.00 1.05 H new ATOM 0 HG22 VAL A 65 20.393 3.640 -3.303 1.00 1.05 H new ATOM 0 HG23 VAL A 65 20.826 5.354 -3.512 1.00 1.05 H new ATOM 959 N VAL A 66 17.221 4.425 -0.021 1.00 0.19 N ATOM 960 CA VAL A 66 16.392 4.550 1.166 1.00 0.15 C ATOM 961 C VAL A 66 16.390 3.279 1.990 1.00 0.16 C ATOM 962 O VAL A 66 16.479 2.173 1.455 1.00 0.21 O ATOM 963 CB VAL A 66 14.940 4.919 0.796 1.00 0.17 C ATOM 964 CG1 VAL A 66 14.866 6.318 0.209 1.00 0.18 C ATOM 965 CG2 VAL A 66 14.370 3.915 -0.185 1.00 0.25 C ATOM 0 H VAL A 66 17.000 3.620 -0.608 1.00 0.19 H new ATOM 0 HA VAL A 66 16.826 5.351 1.764 1.00 0.15 H new ATOM 0 HB VAL A 66 14.346 4.897 1.710 1.00 0.17 H new ATOM 0 HG11 VAL A 66 13.832 6.553 -0.043 1.00 0.18 H new ATOM 0 HG12 VAL A 66 15.234 7.039 0.939 1.00 0.18 H new ATOM 0 HG13 VAL A 66 15.479 6.368 -0.691 1.00 0.18 H new ATOM 0 HG21 VAL A 66 13.346 4.191 -0.434 1.00 0.25 H new ATOM 0 HG22 VAL A 66 14.975 3.908 -1.092 1.00 0.25 H new ATOM 0 HG23 VAL A 66 14.379 2.922 0.264 1.00 0.25 H new ATOM 975 N THR A 67 16.300 3.452 3.301 1.00 0.13 N ATOM 976 CA THR A 67 16.238 2.335 4.217 1.00 0.15 C ATOM 977 C THR A 67 14.824 2.149 4.725 1.00 0.16 C ATOM 978 O THR A 67 14.286 3.008 5.434 1.00 0.21 O ATOM 979 CB THR A 67 17.166 2.537 5.428 1.00 0.20 C ATOM 980 OG1 THR A 67 16.929 3.815 6.022 1.00 0.29 O ATOM 981 CG2 THR A 67 18.624 2.427 5.033 1.00 0.27 C ATOM 0 H THR A 67 16.268 4.366 3.752 1.00 0.13 H new ATOM 0 HA THR A 67 16.563 1.453 3.665 1.00 0.15 H new ATOM 0 HB THR A 67 16.945 1.750 6.149 1.00 0.20 H new ATOM 0 HG1 THR A 67 17.566 3.960 6.752 1.00 0.29 H new ATOM 0 HG21 THR A 67 19.251 2.575 5.912 1.00 0.27 H new ATOM 0 HG22 THR A 67 18.814 1.439 4.614 1.00 0.27 H new ATOM 0 HG23 THR A 67 18.858 3.188 4.288 1.00 0.27 H new ATOM 989 N VAL A 68 14.212 1.043 4.366 1.00 0.15 N ATOM 990 CA VAL A 68 12.912 0.728 4.906 1.00 0.15 C ATOM 991 C VAL A 68 13.013 -0.455 5.844 1.00 0.15 C ATOM 992 O VAL A 68 13.814 -1.350 5.643 1.00 0.17 O ATOM 993 CB VAL A 68 11.857 0.420 3.819 1.00 0.16 C ATOM 994 CG1 VAL A 68 11.585 1.653 2.976 1.00 0.18 C ATOM 995 CG2 VAL A 68 12.288 -0.744 2.936 1.00 0.19 C ATOM 0 H VAL A 68 14.588 0.356 3.712 1.00 0.15 H new ATOM 0 HA VAL A 68 12.579 1.618 5.440 1.00 0.15 H new ATOM 0 HB VAL A 68 10.936 0.130 4.325 1.00 0.16 H new ATOM 0 HG11 VAL A 68 10.840 1.417 2.216 1.00 0.18 H new ATOM 0 HG12 VAL A 68 11.212 2.455 3.614 1.00 0.18 H new ATOM 0 HG13 VAL A 68 12.508 1.974 2.492 1.00 0.18 H new ATOM 0 HG21 VAL A 68 11.523 -0.933 2.183 1.00 0.19 H new ATOM 0 HG22 VAL A 68 13.229 -0.498 2.443 1.00 0.19 H new ATOM 0 HG23 VAL A 68 12.422 -1.635 3.549 1.00 0.19 H new ATOM 1005 N HIS A 69 12.222 -0.440 6.879 1.00 0.14 N ATOM 1006 CA HIS A 69 12.073 -1.609 7.709 1.00 0.15 C ATOM 1007 C HIS A 69 10.763 -2.247 7.331 1.00 0.14 C ATOM 1008 O HIS A 69 9.711 -1.663 7.550 1.00 0.15 O ATOM 1009 CB HIS A 69 12.069 -1.249 9.208 1.00 0.15 C ATOM 1010 CG HIS A 69 11.770 -2.429 10.106 1.00 0.15 C ATOM 1011 ND1 HIS A 69 12.219 -2.558 11.402 1.00 0.19 N ATOM 1012 CD2 HIS A 69 11.043 -3.541 9.866 1.00 0.18 C ATOM 1013 CE1 HIS A 69 11.769 -3.701 11.902 1.00 0.18 C ATOM 1014 NE2 HIS A 69 11.062 -4.309 10.989 1.00 0.18 N ATOM 0 H HIS A 69 11.669 0.366 7.171 1.00 0.14 H new ATOM 0 HA HIS A 69 12.912 -2.286 7.550 1.00 0.15 H new ATOM 0 HB2 HIS A 69 13.040 -0.833 9.477 1.00 0.15 H new ATOM 0 HB3 HIS A 69 11.328 -0.469 9.385 1.00 0.15 H new ATOM 0 HD1 HIS A 69 12.803 -1.884 11.897 1.00 0.19 H new ATOM 0 HD2 HIS A 69 10.535 -3.779 8.943 1.00 0.18 H new ATOM 0 HE1 HIS A 69 11.957 -4.068 12.900 1.00 0.18 H new ATOM 1023 N LEU A 70 10.810 -3.442 6.783 1.00 0.15 N ATOM 1024 CA LEU A 70 9.578 -4.104 6.436 1.00 0.16 C ATOM 1025 C LEU A 70 9.400 -5.368 7.242 1.00 0.15 C ATOM 1026 O LEU A 70 10.337 -6.123 7.485 1.00 0.21 O ATOM 1027 CB LEU A 70 9.464 -4.407 4.938 1.00 0.21 C ATOM 1028 CG LEU A 70 9.879 -5.809 4.496 1.00 0.31 C ATOM 1029 CD1 LEU A 70 9.386 -6.085 3.082 1.00 0.39 C ATOM 1030 CD2 LEU A 70 11.386 -5.974 4.560 1.00 0.38 C ATOM 0 H LEU A 70 11.663 -3.961 6.574 1.00 0.15 H new ATOM 0 HA LEU A 70 8.776 -3.408 6.681 1.00 0.16 H new ATOM 0 HB2 LEU A 70 8.430 -4.245 4.634 1.00 0.21 H new ATOM 0 HB3 LEU A 70 10.073 -3.683 4.396 1.00 0.21 H new ATOM 0 HG LEU A 70 9.424 -6.527 5.179 1.00 0.31 H new ATOM 0 HD11 LEU A 70 9.689 -7.088 2.780 1.00 0.39 H new ATOM 0 HD12 LEU A 70 8.299 -6.011 3.055 1.00 0.39 H new ATOM 0 HD13 LEU A 70 9.817 -5.354 2.397 1.00 0.39 H new ATOM 0 HD21 LEU A 70 11.656 -6.981 4.240 1.00 0.38 H new ATOM 0 HD22 LEU A 70 11.860 -5.245 3.902 1.00 0.38 H new ATOM 0 HD23 LEU A 70 11.726 -5.815 5.583 1.00 0.38 H new ATOM 1042 N GLN A 71 8.200 -5.541 7.712 1.00 0.13 N ATOM 1043 CA GLN A 71 7.762 -6.802 8.264 1.00 0.14 C ATOM 1044 C GLN A 71 6.437 -7.087 7.638 1.00 0.14 C ATOM 1045 O GLN A 71 5.458 -6.371 7.853 1.00 0.14 O ATOM 1046 CB GLN A 71 7.606 -6.777 9.776 1.00 0.15 C ATOM 1047 CG GLN A 71 8.515 -5.801 10.482 1.00 0.15 C ATOM 1048 CD GLN A 71 7.882 -4.449 10.679 1.00 0.16 C ATOM 1049 OE1 GLN A 71 6.958 -4.110 9.811 1.00 0.27 O flip ATOM 1050 NE2 GLN A 71 8.203 -3.735 11.624 1.00 0.18 N flip ATOM 0 H GLN A 71 7.488 -4.810 7.726 1.00 0.13 H new ATOM 0 HA GLN A 71 8.512 -7.564 8.053 1.00 0.14 H new ATOM 0 HB2 GLN A 71 6.572 -6.532 10.018 1.00 0.15 H new ATOM 0 HB3 GLN A 71 7.796 -7.777 10.165 1.00 0.15 H new ATOM 0 HG2 GLN A 71 8.796 -6.210 11.453 1.00 0.15 H new ATOM 0 HG3 GLN A 71 9.434 -5.686 9.907 1.00 0.15 H new ATOM 0 HE21 GLN A 71 8.928 -4.043 12.273 1.00 0.18 H new ATOM 0 HE22 GLN A 71 7.745 -2.834 11.761 1.00 0.18 H new ATOM 1059 N THR A 72 6.419 -8.114 6.861 1.00 0.15 N ATOM 1060 CA THR A 72 5.312 -8.377 6.011 1.00 0.16 C ATOM 1061 C THR A 72 4.459 -9.503 6.556 1.00 0.16 C ATOM 1062 O THR A 72 4.952 -10.593 6.845 1.00 0.17 O ATOM 1063 CB THR A 72 5.822 -8.719 4.617 1.00 0.17 C ATOM 1064 OG1 THR A 72 6.648 -7.655 4.134 1.00 0.19 O ATOM 1065 CG2 THR A 72 4.674 -8.946 3.674 1.00 0.19 C ATOM 0 H THR A 72 7.174 -8.797 6.797 1.00 0.15 H new ATOM 0 HA THR A 72 4.685 -7.486 5.962 1.00 0.16 H new ATOM 0 HB THR A 72 6.408 -9.637 4.673 1.00 0.17 H new ATOM 0 HG1 THR A 72 6.977 -7.877 3.238 1.00 0.19 H new ATOM 0 HG21 THR A 72 5.059 -9.189 2.684 1.00 0.19 H new ATOM 0 HG22 THR A 72 4.062 -9.771 4.038 1.00 0.19 H new ATOM 0 HG23 THR A 72 4.067 -8.043 3.616 1.00 0.19 H new ATOM 1073 N SER A 73 3.188 -9.218 6.707 1.00 0.17 N ATOM 1074 CA SER A 73 2.245 -10.175 7.209 1.00 0.17 C ATOM 1075 C SER A 73 1.388 -10.670 6.065 1.00 0.15 C ATOM 1076 O SER A 73 1.298 -10.030 5.018 1.00 0.26 O ATOM 1077 CB SER A 73 1.367 -9.522 8.281 1.00 0.23 C ATOM 1078 OG SER A 73 0.683 -10.488 9.055 1.00 1.06 O ATOM 0 H SER A 73 2.782 -8.310 6.483 1.00 0.17 H new ATOM 0 HA SER A 73 2.775 -11.017 7.655 1.00 0.17 H new ATOM 0 HB2 SER A 73 1.986 -8.905 8.933 1.00 0.23 H new ATOM 0 HB3 SER A 73 0.645 -8.858 7.806 1.00 0.23 H new ATOM 0 HG SER A 73 0.263 -10.052 9.825 1.00 1.06 H new ATOM 1084 N LEU A 74 0.790 -11.816 6.257 1.00 0.19 N ATOM 1085 CA LEU A 74 -0.120 -12.368 5.283 1.00 0.18 C ATOM 1086 C LEU A 74 -1.513 -11.825 5.510 1.00 0.19 C ATOM 1087 O LEU A 74 -1.791 -11.255 6.562 1.00 0.21 O ATOM 1088 CB LEU A 74 -0.120 -13.894 5.350 1.00 0.22 C ATOM 1089 CG LEU A 74 1.141 -14.563 4.818 1.00 0.38 C ATOM 1090 CD1 LEU A 74 0.871 -16.017 4.461 1.00 0.84 C ATOM 1091 CD2 LEU A 74 1.681 -13.791 3.626 1.00 0.72 C ATOM 0 H LEU A 74 0.918 -12.393 7.089 1.00 0.19 H new ATOM 0 HA LEU A 74 0.213 -12.073 4.288 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -0.264 -14.197 6.387 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -0.976 -14.267 4.787 1.00 0.22 H new ATOM 0 HG LEU A 74 1.900 -14.553 5.600 1.00 0.38 H new ATOM 0 HD11 LEU A 74 1.785 -16.475 4.083 1.00 0.84 H new ATOM 0 HD12 LEU A 74 0.537 -16.554 5.349 1.00 0.84 H new ATOM 0 HD13 LEU A 74 0.097 -16.066 3.695 1.00 0.84 H new ATOM 0 HD21 LEU A 74 2.582 -14.279 3.255 1.00 0.72 H new ATOM 0 HD22 LEU A 74 0.929 -13.768 2.837 1.00 0.72 H new ATOM 0 HD23 LEU A 74 1.919 -12.772 3.930 1.00 0.72 H new ATOM 1103 N GLU A 75 -2.380 -12.001 4.522 1.00 0.21 N ATOM 1104 CA GLU A 75 -3.759 -11.534 4.602 1.00 0.26 C ATOM 1105 C GLU A 75 -4.480 -12.074 5.842 1.00 0.32 C ATOM 1106 O GLU A 75 -5.516 -11.546 6.246 1.00 0.39 O ATOM 1107 CB GLU A 75 -4.519 -11.938 3.343 1.00 0.30 C ATOM 1108 CG GLU A 75 -4.407 -13.413 3.004 1.00 0.34 C ATOM 1109 CD GLU A 75 -5.171 -13.777 1.750 1.00 0.67 C ATOM 1110 OE1 GLU A 75 -4.655 -13.521 0.641 1.00 0.82 O ATOM 1111 OE2 GLU A 75 -6.289 -14.321 1.863 1.00 1.14 O ATOM 0 H GLU A 75 -2.149 -12.469 3.646 1.00 0.21 H new ATOM 0 HA GLU A 75 -3.732 -10.447 4.685 1.00 0.26 H new ATOM 0 HB2 GLU A 75 -5.571 -11.683 3.468 1.00 0.30 H new ATOM 0 HB3 GLU A 75 -4.147 -11.353 2.502 1.00 0.30 H new ATOM 0 HG2 GLU A 75 -3.357 -13.674 2.875 1.00 0.34 H new ATOM 0 HG3 GLU A 75 -4.782 -14.004 3.839 1.00 0.34 H new ATOM 1118 N ASN A 76 -3.932 -13.128 6.441 1.00 0.34 N ATOM 1119 CA ASN A 76 -4.551 -13.742 7.612 1.00 0.41 C ATOM 1120 C ASN A 76 -3.898 -13.246 8.899 1.00 0.39 C ATOM 1121 O ASN A 76 -4.449 -13.407 9.989 1.00 0.51 O ATOM 1122 CB ASN A 76 -4.454 -15.269 7.529 1.00 0.50 C ATOM 1123 CG ASN A 76 -3.143 -15.831 8.056 1.00 1.13 C ATOM 1124 OD1 ASN A 76 -2.196 -16.081 7.166 1.00 2.14 O flip ATOM 1125 ND2 ASN A 76 -2.993 -16.066 9.255 1.00 1.13 N flip ATOM 0 H ASN A 76 -3.066 -13.573 6.137 1.00 0.34 H new ATOM 0 HA ASN A 76 -5.602 -13.454 7.627 1.00 0.41 H new ATOM 0 HB2 ASN A 76 -5.278 -15.707 8.092 1.00 0.50 H new ATOM 0 HB3 ASN A 76 -4.578 -15.576 6.490 1.00 0.50 H new ATOM 0 HD21 ASN A 76 -3.745 -15.860 9.913 1.00 1.13 H new ATOM 0 HD22 ASN A 76 -2.117 -16.466 9.591 1.00 1.13 H new ATOM 1132 N GLY A 77 -2.731 -12.629 8.764 1.00 0.30 N ATOM 1133 CA GLY A 77 -2.013 -12.138 9.924 1.00 0.32 C ATOM 1134 C GLY A 77 -0.757 -12.936 10.238 1.00 0.32 C ATOM 1135 O GLY A 77 -0.290 -12.940 11.374 1.00 0.51 O ATOM 0 H GLY A 77 -2.269 -12.460 7.871 1.00 0.30 H new ATOM 0 HA2 GLY A 77 -1.741 -11.095 9.759 1.00 0.32 H new ATOM 0 HA3 GLY A 77 -2.676 -12.162 10.789 1.00 0.32 H new ATOM 1139 N THR A 78 -0.205 -13.621 9.240 1.00 0.28 N ATOM 1140 CA THR A 78 1.049 -14.346 9.429 1.00 0.28 C ATOM 1141 C THR A 78 2.223 -13.571 8.849 1.00 0.23 C ATOM 1142 O THR A 78 2.357 -13.456 7.634 1.00 0.21 O ATOM 1143 CB THR A 78 1.012 -15.739 8.771 1.00 0.34 C ATOM 1144 OG1 THR A 78 -0.208 -16.411 9.102 1.00 0.46 O ATOM 1145 CG2 THR A 78 2.191 -16.587 9.227 1.00 0.39 C ATOM 0 H THR A 78 -0.600 -13.690 8.302 1.00 0.28 H new ATOM 0 HA THR A 78 1.176 -14.463 10.505 1.00 0.28 H new ATOM 0 HB THR A 78 1.072 -15.601 7.691 1.00 0.34 H new ATOM 0 HG1 THR A 78 -0.713 -16.595 8.282 1.00 0.46 H new ATOM 0 HG21 THR A 78 2.142 -17.565 8.749 1.00 0.39 H new ATOM 0 HG22 THR A 78 3.123 -16.094 8.950 1.00 0.39 H new ATOM 0 HG23 THR A 78 2.154 -16.710 10.309 1.00 0.39 H new ATOM 1153 N ARG A 79 3.074 -13.048 9.717 1.00 0.24 N ATOM 1154 CA ARG A 79 4.254 -12.332 9.274 1.00 0.22 C ATOM 1155 C ARG A 79 5.290 -13.298 8.741 1.00 0.24 C ATOM 1156 O ARG A 79 5.828 -14.130 9.465 1.00 0.33 O ATOM 1157 CB ARG A 79 4.813 -11.465 10.389 1.00 0.25 C ATOM 1158 CG ARG A 79 3.899 -10.301 10.692 1.00 0.25 C ATOM 1159 CD ARG A 79 4.691 -9.031 10.912 1.00 0.28 C ATOM 1160 NE ARG A 79 3.832 -7.844 10.926 1.00 0.33 N ATOM 1161 CZ ARG A 79 4.197 -6.663 11.428 1.00 0.38 C ATOM 1162 NH1 ARG A 79 5.360 -6.541 12.053 1.00 0.42 N ATOM 1163 NH2 ARG A 79 3.385 -5.615 11.332 1.00 0.47 N ATOM 0 H ARG A 79 2.968 -13.107 10.730 1.00 0.24 H new ATOM 0 HA ARG A 79 3.971 -11.666 8.459 1.00 0.22 H new ATOM 0 HB2 ARG A 79 4.948 -12.067 11.287 1.00 0.25 H new ATOM 0 HB3 ARG A 79 5.797 -11.093 10.104 1.00 0.25 H new ATOM 0 HG2 ARG A 79 3.200 -10.159 9.868 1.00 0.25 H new ATOM 0 HG3 ARG A 79 3.306 -10.522 11.579 1.00 0.25 H new ATOM 0 HD2 ARG A 79 5.231 -9.099 11.857 1.00 0.28 H new ATOM 0 HD3 ARG A 79 5.438 -8.929 10.125 1.00 0.28 H new ATOM 0 HE ARG A 79 2.897 -7.926 10.527 1.00 0.33 H new ATOM 0 HH11 ARG A 79 5.974 -7.349 12.150 1.00 0.42 H new ATOM 0 HH12 ARG A 79 5.640 -5.639 12.437 1.00 0.42 H new ATOM 0 HH21 ARG A 79 2.479 -5.712 10.873 1.00 0.47 H new ATOM 0 HH22 ARG A 79 3.668 -4.714 11.717 1.00 0.47 H new ATOM 1177 N VAL A 80 5.538 -13.178 7.454 1.00 0.20 N ATOM 1178 CA VAL A 80 6.360 -14.123 6.728 1.00 0.22 C ATOM 1179 C VAL A 80 7.786 -13.617 6.553 1.00 0.21 C ATOM 1180 O VAL A 80 8.666 -14.348 6.095 1.00 0.27 O ATOM 1181 CB VAL A 80 5.738 -14.406 5.350 1.00 0.23 C ATOM 1182 CG1 VAL A 80 4.373 -15.043 5.512 1.00 0.26 C ATOM 1183 CG2 VAL A 80 5.625 -13.128 4.532 1.00 0.22 C ATOM 0 H VAL A 80 5.173 -12.418 6.879 1.00 0.20 H new ATOM 0 HA VAL A 80 6.401 -15.042 7.312 1.00 0.22 H new ATOM 0 HB VAL A 80 6.392 -15.097 4.817 1.00 0.23 H new ATOM 0 HG11 VAL A 80 3.944 -15.238 4.529 1.00 0.26 H new ATOM 0 HG12 VAL A 80 4.472 -15.981 6.058 1.00 0.26 H new ATOM 0 HG13 VAL A 80 3.720 -14.368 6.066 1.00 0.26 H new ATOM 0 HG21 VAL A 80 5.182 -13.355 3.562 1.00 0.22 H new ATOM 0 HG22 VAL A 80 4.995 -12.412 5.060 1.00 0.22 H new ATOM 0 HG23 VAL A 80 6.617 -12.700 4.387 1.00 0.22 H new ATOM 1193 N GLN A 81 8.005 -12.360 6.906 1.00 0.18 N ATOM 1194 CA GLN A 81 9.313 -11.743 6.754 1.00 0.19 C ATOM 1195 C GLN A 81 9.407 -10.491 7.618 1.00 0.19 C ATOM 1196 O GLN A 81 8.529 -9.633 7.570 1.00 0.26 O ATOM 1197 CB GLN A 81 9.564 -11.418 5.274 1.00 0.23 C ATOM 1198 CG GLN A 81 8.496 -10.541 4.644 1.00 0.23 C ATOM 1199 CD GLN A 81 8.577 -10.520 3.133 1.00 0.37 C ATOM 1200 OE1 GLN A 81 7.883 -11.453 2.501 1.00 0.59 O flip ATOM 1201 NE2 GLN A 81 9.245 -9.678 2.537 1.00 0.50 N flip ATOM 0 H GLN A 81 7.292 -11.746 7.300 1.00 0.18 H new ATOM 0 HA GLN A 81 10.083 -12.438 7.088 1.00 0.19 H new ATOM 0 HB2 GLN A 81 10.529 -10.921 5.181 1.00 0.23 H new ATOM 0 HB3 GLN A 81 9.630 -12.351 4.714 1.00 0.23 H new ATOM 0 HG2 GLN A 81 7.512 -10.899 4.946 1.00 0.23 H new ATOM 0 HG3 GLN A 81 8.596 -9.524 5.024 1.00 0.23 H new ATOM 0 HE21 GLN A 81 9.766 -8.975 3.062 1.00 0.50 H new ATOM 0 HE22 GLN A 81 9.278 -9.682 1.518 1.00 0.50 H new ATOM 1210 N GLU A 82 10.441 -10.415 8.443 1.00 0.24 N ATOM 1211 CA GLU A 82 10.682 -9.237 9.264 1.00 0.24 C ATOM 1212 C GLU A 82 12.131 -8.795 9.112 1.00 0.25 C ATOM 1213 O GLU A 82 13.051 -9.448 9.608 1.00 0.41 O ATOM 1214 CB GLU A 82 10.335 -9.516 10.733 1.00 0.35 C ATOM 1215 CG GLU A 82 10.504 -8.311 11.647 1.00 0.44 C ATOM 1216 CD GLU A 82 9.612 -8.375 12.875 1.00 0.82 C ATOM 1217 OE1 GLU A 82 9.991 -9.058 13.851 1.00 1.21 O ATOM 1218 OE2 GLU A 82 8.531 -7.756 12.867 1.00 1.34 O ATOM 0 H GLU A 82 11.129 -11.158 8.562 1.00 0.24 H new ATOM 0 HA GLU A 82 10.035 -8.428 8.925 1.00 0.24 H new ATOM 0 HB2 GLU A 82 9.303 -9.863 10.793 1.00 0.35 H new ATOM 0 HB3 GLU A 82 10.966 -10.327 11.097 1.00 0.35 H new ATOM 0 HG2 GLU A 82 11.545 -8.243 11.963 1.00 0.44 H new ATOM 0 HG3 GLU A 82 10.281 -7.402 11.088 1.00 0.44 H new ATOM 1225 N GLU A 83 12.318 -7.699 8.400 1.00 0.22 N ATOM 1226 CA GLU A 83 13.641 -7.192 8.075 1.00 0.26 C ATOM 1227 C GLU A 83 13.770 -5.729 8.486 1.00 0.23 C ATOM 1228 O GLU A 83 13.048 -4.860 7.991 1.00 0.24 O ATOM 1229 CB GLU A 83 13.904 -7.407 6.576 1.00 0.39 C ATOM 1230 CG GLU A 83 14.912 -6.464 5.940 1.00 1.20 C ATOM 1231 CD GLU A 83 15.450 -7.011 4.632 1.00 1.73 C ATOM 1232 OE1 GLU A 83 14.855 -6.718 3.571 1.00 2.59 O ATOM 1233 OE2 GLU A 83 16.484 -7.704 4.648 1.00 1.69 O ATOM 0 H GLU A 83 11.555 -7.133 8.029 1.00 0.22 H new ATOM 0 HA GLU A 83 14.400 -7.738 8.635 1.00 0.26 H new ATOM 0 HB2 GLU A 83 14.250 -8.430 6.430 1.00 0.39 H new ATOM 0 HB3 GLU A 83 12.958 -7.311 6.043 1.00 0.39 H new ATOM 0 HG2 GLU A 83 14.443 -5.496 5.763 1.00 1.20 H new ATOM 0 HG3 GLU A 83 15.738 -6.296 6.631 1.00 1.20 H new ATOM 1240 N PRO A 84 14.700 -5.450 9.411 1.00 0.23 N ATOM 1241 CA PRO A 84 14.840 -4.141 10.052 1.00 0.21 C ATOM 1242 C PRO A 84 15.390 -3.059 9.133 1.00 0.19 C ATOM 1243 O PRO A 84 15.232 -1.869 9.415 1.00 0.20 O ATOM 1244 CB PRO A 84 15.823 -4.394 11.205 1.00 0.25 C ATOM 1245 CG PRO A 84 15.978 -5.878 11.290 1.00 0.50 C ATOM 1246 CD PRO A 84 15.699 -6.401 9.915 1.00 0.31 C ATOM 0 HA PRO A 84 13.865 -3.766 10.365 1.00 0.21 H new ATOM 0 HB2 PRO A 84 16.781 -3.911 11.015 1.00 0.25 H new ATOM 0 HB3 PRO A 84 15.441 -3.987 12.141 1.00 0.25 H new ATOM 0 HG2 PRO A 84 16.983 -6.147 11.613 1.00 0.50 H new ATOM 0 HG3 PRO A 84 15.285 -6.302 12.017 1.00 0.50 H new ATOM 0 HD2 PRO A 84 16.596 -6.414 9.296 1.00 0.31 H new ATOM 0 HD3 PRO A 84 15.313 -7.420 9.939 1.00 0.31 H new ATOM 1254 N GLU A 85 16.022 -3.447 8.036 1.00 0.20 N ATOM 1255 CA GLU A 85 16.625 -2.466 7.152 1.00 0.22 C ATOM 1256 C GLU A 85 16.907 -3.026 5.776 1.00 0.24 C ATOM 1257 O GLU A 85 17.898 -3.717 5.531 1.00 0.35 O ATOM 1258 CB GLU A 85 17.895 -1.892 7.776 1.00 0.31 C ATOM 1259 CG GLU A 85 18.441 -0.686 7.041 1.00 0.34 C ATOM 1260 CD GLU A 85 19.431 0.078 7.883 1.00 0.90 C ATOM 1261 OE1 GLU A 85 18.991 0.757 8.835 1.00 1.37 O ATOM 1262 OE2 GLU A 85 20.644 -0.005 7.616 1.00 1.30 O ATOM 0 H GLU A 85 16.129 -4.418 7.741 1.00 0.20 H new ATOM 0 HA GLU A 85 15.901 -1.661 7.023 1.00 0.22 H new ATOM 0 HB2 GLU A 85 17.688 -1.614 8.809 1.00 0.31 H new ATOM 0 HB3 GLU A 85 18.660 -2.668 7.802 1.00 0.31 H new ATOM 0 HG2 GLU A 85 18.921 -1.009 6.118 1.00 0.34 H new ATOM 0 HG3 GLU A 85 17.619 -0.028 6.759 1.00 0.34 H new ATOM 1269 N LEU A 86 16.000 -2.707 4.897 1.00 0.23 N ATOM 1270 CA LEU A 86 16.102 -3.015 3.504 1.00 0.24 C ATOM 1271 C LEU A 86 16.395 -1.732 2.741 1.00 0.23 C ATOM 1272 O LEU A 86 15.539 -0.852 2.632 1.00 0.25 O ATOM 1273 CB LEU A 86 14.785 -3.632 3.052 1.00 0.26 C ATOM 1274 CG LEU A 86 14.673 -3.922 1.575 1.00 0.33 C ATOM 1275 CD1 LEU A 86 15.862 -4.735 1.082 1.00 0.38 C ATOM 1276 CD2 LEU A 86 13.371 -4.649 1.299 1.00 0.38 C ATOM 0 H LEU A 86 15.143 -2.210 5.141 1.00 0.23 H new ATOM 0 HA LEU A 86 16.908 -3.724 3.314 1.00 0.24 H new ATOM 0 HB2 LEU A 86 14.634 -4.563 3.599 1.00 0.26 H new ATOM 0 HB3 LEU A 86 13.974 -2.961 3.335 1.00 0.26 H new ATOM 0 HG LEU A 86 14.677 -2.977 1.031 1.00 0.33 H new ATOM 0 HD11 LEU A 86 15.753 -4.928 0.015 1.00 0.38 H new ATOM 0 HD12 LEU A 86 16.782 -4.178 1.258 1.00 0.38 H new ATOM 0 HD13 LEU A 86 15.903 -5.682 1.620 1.00 0.38 H new ATOM 0 HD21 LEU A 86 13.290 -4.858 0.232 1.00 0.38 H new ATOM 0 HD22 LEU A 86 13.353 -5.586 1.855 1.00 0.38 H new ATOM 0 HD23 LEU A 86 12.533 -4.026 1.611 1.00 0.38 H new ATOM 1288 N VAL A 87 17.615 -1.607 2.258 1.00 0.24 N ATOM 1289 CA VAL A 87 18.033 -0.401 1.570 1.00 0.22 C ATOM 1290 C VAL A 87 18.088 -0.658 0.064 1.00 0.21 C ATOM 1291 O VAL A 87 18.544 -1.716 -0.375 1.00 0.28 O ATOM 1292 CB VAL A 87 19.399 0.086 2.106 1.00 0.27 C ATOM 1293 CG1 VAL A 87 20.530 -0.829 1.669 1.00 1.00 C ATOM 1294 CG2 VAL A 87 19.664 1.515 1.690 1.00 0.94 C ATOM 0 H VAL A 87 18.335 -2.326 2.329 1.00 0.24 H new ATOM 0 HA VAL A 87 17.305 0.388 1.759 1.00 0.22 H new ATOM 0 HB VAL A 87 19.355 0.053 3.195 1.00 0.27 H new ATOM 0 HG11 VAL A 87 21.474 -0.455 2.065 1.00 1.00 H new ATOM 0 HG12 VAL A 87 20.351 -1.835 2.048 1.00 1.00 H new ATOM 0 HG13 VAL A 87 20.577 -0.854 0.580 1.00 1.00 H new ATOM 0 HG21 VAL A 87 20.631 1.834 2.079 1.00 0.94 H new ATOM 0 HG22 VAL A 87 19.671 1.582 0.602 1.00 0.94 H new ATOM 0 HG23 VAL A 87 18.881 2.161 2.088 1.00 0.94 H new ATOM 1304 N PHE A 88 17.595 0.288 -0.721 1.00 0.17 N ATOM 1305 CA PHE A 88 17.511 0.102 -2.165 1.00 0.19 C ATOM 1306 C PHE A 88 17.421 1.437 -2.891 1.00 0.20 C ATOM 1307 O PHE A 88 17.200 2.480 -2.268 1.00 0.23 O ATOM 1308 CB PHE A 88 16.297 -0.770 -2.516 1.00 0.21 C ATOM 1309 CG PHE A 88 14.965 -0.166 -2.167 1.00 0.18 C ATOM 1310 CD1 PHE A 88 14.555 -0.092 -0.845 1.00 0.19 C ATOM 1311 CD2 PHE A 88 14.134 0.348 -3.151 1.00 0.17 C ATOM 1312 CE1 PHE A 88 13.343 0.477 -0.510 1.00 0.17 C ATOM 1313 CE2 PHE A 88 12.924 0.923 -2.824 1.00 0.16 C ATOM 1314 CZ PHE A 88 12.478 0.914 -1.548 1.00 0.15 C ATOM 0 H PHE A 88 17.249 1.187 -0.387 1.00 0.17 H new ATOM 0 HA PHE A 88 18.422 -0.400 -2.492 1.00 0.19 H new ATOM 0 HB2 PHE A 88 16.316 -0.981 -3.585 1.00 0.21 H new ATOM 0 HB3 PHE A 88 16.393 -1.726 -2.001 1.00 0.21 H new ATOM 0 HD1 PHE A 88 15.192 -0.485 -0.067 1.00 0.19 H new ATOM 0 HD2 PHE A 88 14.438 0.297 -4.186 1.00 0.17 H new ATOM 0 HE1 PHE A 88 13.057 0.588 0.525 1.00 0.17 H new ATOM 0 HE2 PHE A 88 12.326 1.385 -3.596 1.00 0.16 H new ATOM 0 HZ PHE A 88 11.473 1.236 -1.320 1.00 0.15 H new ATOM 1324 N THR A 89 17.591 1.392 -4.206 1.00 0.23 N ATOM 1325 CA THR A 89 17.429 2.568 -5.037 1.00 0.25 C ATOM 1326 C THR A 89 15.971 2.683 -5.467 1.00 0.21 C ATOM 1327 O THR A 89 15.469 1.834 -6.207 1.00 0.22 O ATOM 1328 CB THR A 89 18.332 2.493 -6.284 1.00 0.33 C ATOM 1329 OG1 THR A 89 19.681 2.205 -5.889 1.00 0.42 O ATOM 1330 CG2 THR A 89 18.298 3.804 -7.062 1.00 0.37 C ATOM 0 H THR A 89 17.842 0.547 -4.718 1.00 0.23 H new ATOM 0 HA THR A 89 17.718 3.445 -4.458 1.00 0.25 H new ATOM 0 HB THR A 89 17.959 1.698 -6.929 1.00 0.33 H new ATOM 0 HG1 THR A 89 20.251 2.156 -6.684 1.00 0.42 H new ATOM 0 HG21 THR A 89 18.943 3.725 -7.937 1.00 0.37 H new ATOM 0 HG22 THR A 89 17.277 4.011 -7.382 1.00 0.37 H new ATOM 0 HG23 THR A 89 18.650 4.615 -6.424 1.00 0.37 H new ATOM 1338 N LEU A 90 15.292 3.705 -4.962 1.00 0.19 N ATOM 1339 CA LEU A 90 13.886 3.926 -5.270 1.00 0.16 C ATOM 1340 C LEU A 90 13.654 3.961 -6.775 1.00 0.15 C ATOM 1341 O LEU A 90 14.253 4.764 -7.482 1.00 0.18 O ATOM 1342 CB LEU A 90 13.421 5.247 -4.658 1.00 0.16 C ATOM 1343 CG LEU A 90 11.912 5.379 -4.464 1.00 0.34 C ATOM 1344 CD1 LEU A 90 11.380 4.183 -3.690 1.00 0.60 C ATOM 1345 CD2 LEU A 90 11.586 6.678 -3.743 1.00 0.60 C ATOM 0 H LEU A 90 15.697 4.398 -4.333 1.00 0.19 H new ATOM 0 HA LEU A 90 13.314 3.100 -4.847 1.00 0.16 H new ATOM 0 HB2 LEU A 90 13.908 5.372 -3.691 1.00 0.16 H new ATOM 0 HB3 LEU A 90 13.762 6.064 -5.294 1.00 0.16 H new ATOM 0 HG LEU A 90 11.428 5.401 -5.441 1.00 0.34 H new ATOM 0 HD11 LEU A 90 10.303 4.286 -3.556 1.00 0.60 H new ATOM 0 HD12 LEU A 90 11.591 3.268 -4.244 1.00 0.60 H new ATOM 0 HD13 LEU A 90 11.864 4.137 -2.714 1.00 0.60 H new ATOM 0 HD21 LEU A 90 10.507 6.760 -3.611 1.00 0.60 H new ATOM 0 HD22 LEU A 90 12.073 6.685 -2.768 1.00 0.60 H new ATOM 0 HD23 LEU A 90 11.944 7.521 -4.333 1.00 0.60 H new ATOM 1357 N GLY A 91 12.804 3.075 -7.263 1.00 0.20 N ATOM 1358 CA GLY A 91 12.429 3.112 -8.654 1.00 0.23 C ATOM 1359 C GLY A 91 13.218 2.156 -9.512 1.00 0.26 C ATOM 1360 O GLY A 91 12.948 2.025 -10.707 1.00 0.37 O ATOM 0 H GLY A 91 12.368 2.331 -6.719 1.00 0.20 H new ATOM 0 HA2 GLY A 91 11.368 2.878 -8.743 1.00 0.23 H new ATOM 0 HA3 GLY A 91 12.565 4.125 -9.033 1.00 0.23 H new ATOM 1364 N ASP A 92 14.181 1.462 -8.921 1.00 0.27 N ATOM 1365 CA ASP A 92 15.011 0.560 -9.703 1.00 0.32 C ATOM 1366 C ASP A 92 14.517 -0.854 -9.530 1.00 0.30 C ATOM 1367 O ASP A 92 15.155 -1.813 -9.966 1.00 0.37 O ATOM 1368 CB ASP A 92 16.487 0.686 -9.325 1.00 0.42 C ATOM 1369 CG ASP A 92 17.394 0.111 -10.399 1.00 0.59 C ATOM 1370 OD1 ASP A 92 17.477 0.708 -11.499 1.00 0.93 O ATOM 1371 OD2 ASP A 92 18.031 -0.931 -10.157 1.00 0.82 O ATOM 0 H ASP A 92 14.403 1.504 -7.926 1.00 0.27 H new ATOM 0 HA ASP A 92 14.933 0.835 -10.755 1.00 0.32 H new ATOM 0 HB2 ASP A 92 16.733 1.736 -9.165 1.00 0.42 H new ATOM 0 HB3 ASP A 92 16.666 0.169 -8.382 1.00 0.42 H new ATOM 1376 N CYS A 93 13.341 -0.961 -8.909 1.00 0.28 N ATOM 1377 CA CYS A 93 12.696 -2.244 -8.695 1.00 0.27 C ATOM 1378 C CYS A 93 13.591 -3.152 -7.887 1.00 0.26 C ATOM 1379 O CYS A 93 13.544 -4.375 -8.030 1.00 0.31 O ATOM 1380 CB CYS A 93 12.393 -2.916 -10.023 1.00 0.38 C ATOM 1381 SG CYS A 93 11.526 -1.865 -11.212 1.00 0.62 S ATOM 0 H CYS A 93 12.818 -0.164 -8.546 1.00 0.28 H new ATOM 0 HA CYS A 93 11.766 -2.066 -8.155 1.00 0.27 H new ATOM 0 HB2 CYS A 93 13.330 -3.252 -10.468 1.00 0.38 H new ATOM 0 HB3 CYS A 93 11.792 -3.806 -9.837 1.00 0.38 H new ATOM 0 HG CYS A 93 11.318 -2.531 -12.309 1.00 0.62 H new ATOM 1387 N ASP A 94 14.399 -2.554 -7.023 1.00 0.27 N ATOM 1388 CA ASP A 94 15.313 -3.316 -6.201 1.00 0.33 C ATOM 1389 C ASP A 94 14.532 -4.156 -5.204 1.00 0.33 C ATOM 1390 O ASP A 94 15.069 -5.047 -4.544 1.00 0.48 O ATOM 1391 CB ASP A 94 16.278 -2.406 -5.449 1.00 0.41 C ATOM 1392 CG ASP A 94 17.464 -1.963 -6.276 1.00 0.65 C ATOM 1393 OD1 ASP A 94 18.064 -2.815 -6.966 1.00 0.96 O ATOM 1394 OD2 ASP A 94 17.822 -0.769 -6.206 1.00 1.33 O ATOM 0 H ASP A 94 14.436 -1.545 -6.877 1.00 0.27 H new ATOM 0 HA ASP A 94 15.894 -3.963 -6.859 1.00 0.33 H new ATOM 0 HB2 ASP A 94 15.738 -1.525 -5.103 1.00 0.41 H new ATOM 0 HB3 ASP A 94 16.639 -2.927 -4.562 1.00 0.41 H new ATOM 1399 N VAL A 95 13.250 -3.853 -5.127 1.00 0.23 N ATOM 1400 CA VAL A 95 12.340 -4.450 -4.176 1.00 0.21 C ATOM 1401 C VAL A 95 11.078 -4.914 -4.884 1.00 0.20 C ATOM 1402 O VAL A 95 11.052 -5.028 -6.107 1.00 0.22 O ATOM 1403 CB VAL A 95 11.954 -3.415 -3.108 1.00 0.20 C ATOM 1404 CG1 VAL A 95 13.121 -3.152 -2.178 1.00 0.23 C ATOM 1405 CG2 VAL A 95 11.507 -2.122 -3.783 1.00 0.19 C ATOM 0 H VAL A 95 12.805 -3.169 -5.739 1.00 0.23 H new ATOM 0 HA VAL A 95 12.833 -5.302 -3.708 1.00 0.21 H new ATOM 0 HB VAL A 95 11.129 -3.809 -2.515 1.00 0.20 H new ATOM 0 HG11 VAL A 95 12.830 -2.417 -1.428 1.00 0.23 H new ATOM 0 HG12 VAL A 95 13.409 -4.080 -1.684 1.00 0.23 H new ATOM 0 HG13 VAL A 95 13.965 -2.770 -2.752 1.00 0.23 H new ATOM 0 HG21 VAL A 95 11.234 -1.390 -3.023 1.00 0.19 H new ATOM 0 HG22 VAL A 95 12.322 -1.728 -4.390 1.00 0.19 H new ATOM 0 HG23 VAL A 95 10.645 -2.323 -4.419 1.00 0.19 H new ATOM 1415 N ILE A 96 10.026 -5.156 -4.118 1.00 0.19 N ATOM 1416 CA ILE A 96 8.741 -5.460 -4.690 1.00 0.19 C ATOM 1417 C ILE A 96 8.146 -4.164 -5.198 1.00 0.16 C ATOM 1418 O ILE A 96 8.304 -3.115 -4.570 1.00 0.15 O ATOM 1419 CB ILE A 96 7.795 -6.125 -3.666 1.00 0.22 C ATOM 1420 CG1 ILE A 96 7.580 -5.220 -2.445 1.00 0.25 C ATOM 1421 CG2 ILE A 96 8.360 -7.469 -3.240 1.00 0.26 C ATOM 1422 CD1 ILE A 96 6.659 -5.812 -1.400 1.00 0.29 C ATOM 0 H ILE A 96 10.045 -5.146 -3.098 1.00 0.19 H new ATOM 0 HA ILE A 96 8.867 -6.175 -5.503 1.00 0.19 H new ATOM 0 HB ILE A 96 6.826 -6.280 -4.140 1.00 0.22 H new ATOM 0 HG12 ILE A 96 8.546 -5.009 -1.987 1.00 0.25 H new ATOM 0 HG13 ILE A 96 7.170 -4.267 -2.779 1.00 0.25 H new ATOM 0 HG21 ILE A 96 7.689 -7.933 -2.518 1.00 0.26 H new ATOM 0 HG22 ILE A 96 8.458 -8.115 -4.112 1.00 0.26 H new ATOM 0 HG23 ILE A 96 9.339 -7.324 -2.784 1.00 0.26 H new ATOM 0 HD11 ILE A 96 6.556 -5.115 -0.569 1.00 0.29 H new ATOM 0 HD12 ILE A 96 5.680 -5.997 -1.841 1.00 0.29 H new ATOM 0 HD13 ILE A 96 7.077 -6.751 -1.037 1.00 0.29 H new ATOM 1434 N GLN A 97 7.489 -4.225 -6.332 1.00 0.17 N ATOM 1435 CA GLN A 97 7.007 -3.019 -6.986 1.00 0.17 C ATOM 1436 C GLN A 97 6.002 -2.285 -6.101 1.00 0.16 C ATOM 1437 O GLN A 97 5.883 -1.065 -6.177 1.00 0.16 O ATOM 1438 CB GLN A 97 6.390 -3.334 -8.345 1.00 0.19 C ATOM 1439 CG GLN A 97 6.558 -2.196 -9.335 1.00 0.25 C ATOM 1440 CD GLN A 97 7.990 -2.068 -9.837 1.00 0.31 C ATOM 1441 OE1 GLN A 97 8.830 -1.334 -9.110 1.00 0.40 O flip ATOM 1442 NE2 GLN A 97 8.345 -2.654 -10.860 1.00 0.32 N flip ATOM 0 H GLN A 97 7.273 -5.092 -6.825 1.00 0.17 H new ATOM 0 HA GLN A 97 7.865 -2.367 -7.148 1.00 0.17 H new ATOM 0 HB2 GLN A 97 6.851 -4.235 -8.750 1.00 0.19 H new ATOM 0 HB3 GLN A 97 5.329 -3.548 -8.218 1.00 0.19 H new ATOM 0 HG2 GLN A 97 5.892 -2.355 -10.183 1.00 0.25 H new ATOM 0 HG3 GLN A 97 6.256 -1.261 -8.863 1.00 0.25 H new ATOM 0 HE21 GLN A 97 7.672 -3.207 -11.391 1.00 0.32 H new ATOM 0 HE22 GLN A 97 9.312 -2.586 -11.177 1.00 0.32 H new ATOM 1451 N ALA A 98 5.294 -3.034 -5.258 1.00 0.17 N ATOM 1452 CA ALA A 98 4.408 -2.433 -4.267 1.00 0.18 C ATOM 1453 C ALA A 98 5.184 -1.467 -3.385 1.00 0.17 C ATOM 1454 O ALA A 98 4.755 -0.341 -3.151 1.00 0.20 O ATOM 1455 CB ALA A 98 3.775 -3.505 -3.401 1.00 0.20 C ATOM 0 H ALA A 98 5.317 -4.054 -5.242 1.00 0.17 H new ATOM 0 HA ALA A 98 3.624 -1.891 -4.795 1.00 0.18 H new ATOM 0 HB1 ALA A 98 3.117 -3.039 -2.667 1.00 0.20 H new ATOM 0 HB2 ALA A 98 3.196 -4.184 -4.027 1.00 0.20 H new ATOM 0 HB3 ALA A 98 4.556 -4.064 -2.885 1.00 0.20 H new ATOM 1461 N LEU A 99 6.348 -1.916 -2.933 1.00 0.17 N ATOM 1462 CA LEU A 99 7.182 -1.132 -2.030 1.00 0.17 C ATOM 1463 C LEU A 99 7.843 0.019 -2.764 1.00 0.15 C ATOM 1464 O LEU A 99 7.927 1.136 -2.256 1.00 0.15 O ATOM 1465 CB LEU A 99 8.273 -1.993 -1.407 1.00 0.19 C ATOM 1466 CG LEU A 99 9.181 -1.253 -0.419 1.00 0.18 C ATOM 1467 CD1 LEU A 99 8.371 -0.700 0.738 1.00 0.21 C ATOM 1468 CD2 LEU A 99 10.276 -2.160 0.098 1.00 0.22 C ATOM 0 H LEU A 99 6.738 -2.826 -3.179 1.00 0.17 H new ATOM 0 HA LEU A 99 6.529 -0.744 -1.248 1.00 0.17 H new ATOM 0 HB2 LEU A 99 7.806 -2.833 -0.892 1.00 0.19 H new ATOM 0 HB3 LEU A 99 8.889 -2.410 -2.204 1.00 0.19 H new ATOM 0 HG LEU A 99 9.647 -0.423 -0.951 1.00 0.18 H new ATOM 0 HD11 LEU A 99 9.033 -0.178 1.429 1.00 0.21 H new ATOM 0 HD12 LEU A 99 7.622 -0.005 0.358 1.00 0.21 H new ATOM 0 HD13 LEU A 99 7.875 -1.519 1.259 1.00 0.21 H new ATOM 0 HD21 LEU A 99 10.905 -1.609 0.797 1.00 0.22 H new ATOM 0 HD22 LEU A 99 9.830 -3.015 0.607 1.00 0.22 H new ATOM 0 HD23 LEU A 99 10.882 -2.511 -0.737 1.00 0.22 H new ATOM 1480 N ASP A 100 8.298 -0.273 -3.969 1.00 0.15 N ATOM 1481 CA ASP A 100 9.050 0.674 -4.772 1.00 0.16 C ATOM 1482 C ASP A 100 8.208 1.915 -5.034 1.00 0.15 C ATOM 1483 O ASP A 100 8.724 3.023 -5.165 1.00 0.16 O ATOM 1484 CB ASP A 100 9.455 0.000 -6.084 1.00 0.17 C ATOM 1485 CG ASP A 100 10.340 0.860 -6.959 1.00 0.20 C ATOM 1486 OD1 ASP A 100 9.802 1.620 -7.792 1.00 0.26 O ATOM 1487 OD2 ASP A 100 11.579 0.751 -6.836 1.00 0.21 O ATOM 0 H ASP A 100 8.156 -1.177 -4.420 1.00 0.15 H new ATOM 0 HA ASP A 100 9.950 0.984 -4.240 1.00 0.16 H new ATOM 0 HB2 ASP A 100 9.975 -0.931 -5.859 1.00 0.17 H new ATOM 0 HB3 ASP A 100 8.555 -0.264 -6.640 1.00 0.17 H new ATOM 1492 N LEU A 101 6.903 1.703 -5.112 1.00 0.16 N ATOM 1493 CA LEU A 101 5.950 2.778 -5.300 1.00 0.16 C ATOM 1494 C LEU A 101 5.451 3.347 -3.969 1.00 0.15 C ATOM 1495 O LEU A 101 5.200 4.553 -3.851 1.00 0.16 O ATOM 1496 CB LEU A 101 4.775 2.260 -6.125 1.00 0.19 C ATOM 1497 CG LEU A 101 5.141 1.699 -7.505 1.00 0.22 C ATOM 1498 CD1 LEU A 101 3.887 1.291 -8.265 1.00 0.25 C ATOM 1499 CD2 LEU A 101 5.959 2.708 -8.304 1.00 0.25 C ATOM 0 H LEU A 101 6.478 0.778 -5.046 1.00 0.16 H new ATOM 0 HA LEU A 101 6.452 3.591 -5.825 1.00 0.16 H new ATOM 0 HB2 LEU A 101 4.269 1.480 -5.556 1.00 0.19 H new ATOM 0 HB3 LEU A 101 4.060 3.072 -6.259 1.00 0.19 H new ATOM 0 HG LEU A 101 5.756 0.811 -7.360 1.00 0.22 H new ATOM 0 HD11 LEU A 101 4.166 0.895 -9.242 1.00 0.25 H new ATOM 0 HD12 LEU A 101 3.353 0.525 -7.702 1.00 0.25 H new ATOM 0 HD13 LEU A 101 3.242 2.160 -8.396 1.00 0.25 H new ATOM 0 HD21 LEU A 101 6.206 2.286 -9.278 1.00 0.25 H new ATOM 0 HD22 LEU A 101 5.379 3.621 -8.440 1.00 0.25 H new ATOM 0 HD23 LEU A 101 6.878 2.939 -7.765 1.00 0.25 H new ATOM 1511 N SER A 102 5.316 2.494 -2.961 1.00 0.15 N ATOM 1512 CA SER A 102 4.711 2.911 -1.704 1.00 0.17 C ATOM 1513 C SER A 102 5.633 3.857 -0.944 1.00 0.15 C ATOM 1514 O SER A 102 5.172 4.717 -0.197 1.00 0.18 O ATOM 1515 CB SER A 102 4.355 1.698 -0.834 1.00 0.23 C ATOM 1516 OG SER A 102 5.499 0.914 -0.537 1.00 1.01 O ATOM 0 H SER A 102 5.614 1.519 -2.989 1.00 0.15 H new ATOM 0 HA SER A 102 3.790 3.444 -1.940 1.00 0.17 H new ATOM 0 HB2 SER A 102 3.895 2.038 0.094 1.00 0.23 H new ATOM 0 HB3 SER A 102 3.616 1.084 -1.350 1.00 0.23 H new ATOM 0 HG SER A 102 5.237 0.151 0.019 1.00 1.01 H new ATOM 1522 N VAL A 103 6.932 3.699 -1.158 1.00 0.15 N ATOM 1523 CA VAL A 103 7.931 4.518 -0.488 1.00 0.16 C ATOM 1524 C VAL A 103 7.831 5.992 -0.884 1.00 0.16 C ATOM 1525 O VAL A 103 7.710 6.838 -0.018 1.00 0.18 O ATOM 1526 CB VAL A 103 9.347 4.006 -0.773 1.00 0.18 C ATOM 1527 CG1 VAL A 103 10.397 5.000 -0.295 1.00 0.21 C ATOM 1528 CG2 VAL A 103 9.561 2.665 -0.106 1.00 0.19 C ATOM 0 H VAL A 103 7.320 3.005 -1.796 1.00 0.15 H new ATOM 0 HA VAL A 103 7.728 4.439 0.580 1.00 0.16 H new ATOM 0 HB VAL A 103 9.454 3.891 -1.852 1.00 0.18 H new ATOM 0 HG11 VAL A 103 11.392 4.610 -0.510 1.00 0.21 H new ATOM 0 HG12 VAL A 103 10.260 5.950 -0.811 1.00 0.21 H new ATOM 0 HG13 VAL A 103 10.292 5.152 0.779 1.00 0.21 H new ATOM 0 HG21 VAL A 103 10.571 2.311 -0.316 1.00 0.19 H new ATOM 0 HG22 VAL A 103 9.429 2.769 0.971 1.00 0.19 H new ATOM 0 HG23 VAL A 103 8.838 1.947 -0.492 1.00 0.19 H new ATOM 1538 N PRO A 104 7.883 6.330 -2.190 1.00 0.17 N ATOM 1539 CA PRO A 104 7.698 7.714 -2.642 1.00 0.21 C ATOM 1540 C PRO A 104 6.296 8.234 -2.325 1.00 0.19 C ATOM 1541 O PRO A 104 6.041 9.439 -2.343 1.00 0.22 O ATOM 1542 CB PRO A 104 7.920 7.644 -4.156 1.00 0.27 C ATOM 1543 CG PRO A 104 7.730 6.211 -4.507 1.00 0.21 C ATOM 1544 CD PRO A 104 8.177 5.429 -3.313 1.00 0.17 C ATOM 0 HA PRO A 104 8.382 8.400 -2.142 1.00 0.21 H new ATOM 0 HB2 PRO A 104 7.211 8.278 -4.689 1.00 0.27 H new ATOM 0 HB3 PRO A 104 8.919 7.987 -4.425 1.00 0.27 H new ATOM 0 HG2 PRO A 104 6.686 6.002 -4.741 1.00 0.21 H new ATOM 0 HG3 PRO A 104 8.314 5.945 -5.388 1.00 0.21 H new ATOM 0 HD2 PRO A 104 7.637 4.486 -3.224 1.00 0.17 H new ATOM 0 HD3 PRO A 104 9.238 5.185 -3.366 1.00 0.17 H new ATOM 1552 N LEU A 105 5.382 7.311 -2.056 1.00 0.18 N ATOM 1553 CA LEU A 105 4.060 7.673 -1.568 1.00 0.19 C ATOM 1554 C LEU A 105 4.075 7.907 -0.055 1.00 0.22 C ATOM 1555 O LEU A 105 3.130 8.455 0.511 1.00 0.32 O ATOM 1556 CB LEU A 105 3.066 6.573 -1.913 1.00 0.18 C ATOM 1557 CG LEU A 105 2.653 6.503 -3.381 1.00 0.25 C ATOM 1558 CD1 LEU A 105 1.433 5.619 -3.540 1.00 0.53 C ATOM 1559 CD2 LEU A 105 2.383 7.893 -3.940 1.00 0.64 C ATOM 0 H LEU A 105 5.532 6.308 -2.168 1.00 0.18 H new ATOM 0 HA LEU A 105 3.759 8.602 -2.052 1.00 0.19 H new ATOM 0 HB2 LEU A 105 3.498 5.614 -1.628 1.00 0.18 H new ATOM 0 HB3 LEU A 105 2.171 6.712 -1.307 1.00 0.18 H new ATOM 0 HG LEU A 105 3.477 6.069 -3.947 1.00 0.25 H new ATOM 0 HD11 LEU A 105 1.148 5.577 -4.591 1.00 0.53 H new ATOM 0 HD12 LEU A 105 1.663 4.614 -3.186 1.00 0.53 H new ATOM 0 HD13 LEU A 105 0.608 6.029 -2.957 1.00 0.53 H new ATOM 0 HD21 LEU A 105 2.091 7.814 -4.987 1.00 0.64 H new ATOM 0 HD22 LEU A 105 1.579 8.363 -3.374 1.00 0.64 H new ATOM 0 HD23 LEU A 105 3.286 8.499 -3.860 1.00 0.64 H new ATOM 1571 N MET A 106 5.128 7.450 0.593 1.00 0.20 N ATOM 1572 CA MET A 106 5.297 7.630 2.027 1.00 0.24 C ATOM 1573 C MET A 106 6.322 8.735 2.327 1.00 0.21 C ATOM 1574 O MET A 106 7.257 8.944 1.562 1.00 0.26 O ATOM 1575 CB MET A 106 5.721 6.292 2.642 1.00 0.33 C ATOM 1576 CG MET A 106 7.107 6.289 3.254 1.00 0.53 C ATOM 1577 SD MET A 106 7.728 4.622 3.552 1.00 0.78 S ATOM 1578 CE MET A 106 6.550 4.037 4.758 1.00 0.54 C ATOM 0 H MET A 106 5.891 6.944 0.144 1.00 0.20 H new ATOM 0 HA MET A 106 4.353 7.947 2.471 1.00 0.24 H new ATOM 0 HB2 MET A 106 4.999 6.015 3.410 1.00 0.33 H new ATOM 0 HB3 MET A 106 5.677 5.523 1.871 1.00 0.33 H new ATOM 0 HG2 MET A 106 7.794 6.816 2.592 1.00 0.53 H new ATOM 0 HG3 MET A 106 7.086 6.839 4.195 1.00 0.53 H new ATOM 0 HE1 MET A 106 7.024 3.996 5.739 1.00 0.54 H new ATOM 0 HE2 MET A 106 5.699 4.717 4.794 1.00 0.54 H new ATOM 0 HE3 MET A 106 6.207 3.041 4.478 1.00 0.54 H new ATOM 1588 N ASP A 107 6.136 9.441 3.436 1.00 0.18 N ATOM 1589 CA ASP A 107 7.043 10.524 3.823 1.00 0.18 C ATOM 1590 C ASP A 107 8.171 9.997 4.698 1.00 0.14 C ATOM 1591 O ASP A 107 8.068 8.914 5.282 1.00 0.13 O ATOM 1592 CB ASP A 107 6.285 11.640 4.553 1.00 0.25 C ATOM 1593 CG ASP A 107 6.145 12.894 3.711 1.00 0.56 C ATOM 1594 OD1 ASP A 107 5.286 12.905 2.803 1.00 0.92 O ATOM 1595 OD2 ASP A 107 6.878 13.877 3.953 1.00 0.97 O ATOM 0 H ASP A 107 5.366 9.286 4.086 1.00 0.18 H new ATOM 0 HA ASP A 107 7.474 10.939 2.912 1.00 0.18 H new ATOM 0 HB2 ASP A 107 5.294 11.280 4.831 1.00 0.25 H new ATOM 0 HB3 ASP A 107 6.807 11.884 5.478 1.00 0.25 H new ATOM 1600 N VAL A 108 9.258 10.758 4.792 1.00 0.16 N ATOM 1601 CA VAL A 108 10.414 10.307 5.549 1.00 0.16 C ATOM 1602 C VAL A 108 10.078 10.233 7.034 1.00 0.15 C ATOM 1603 O VAL A 108 9.496 11.154 7.610 1.00 0.19 O ATOM 1604 CB VAL A 108 11.667 11.194 5.310 1.00 0.21 C ATOM 1605 CG1 VAL A 108 11.778 12.332 6.317 1.00 0.68 C ATOM 1606 CG2 VAL A 108 12.928 10.343 5.315 1.00 0.80 C ATOM 0 H VAL A 108 9.359 11.676 4.359 1.00 0.16 H new ATOM 0 HA VAL A 108 10.665 9.309 5.190 1.00 0.16 H new ATOM 0 HB VAL A 108 11.553 11.654 4.328 1.00 0.21 H new ATOM 0 HG11 VAL A 108 12.671 12.920 6.104 1.00 0.68 H new ATOM 0 HG12 VAL A 108 10.897 12.970 6.244 1.00 0.68 H new ATOM 0 HG13 VAL A 108 11.846 11.921 7.324 1.00 0.68 H new ATOM 0 HG21 VAL A 108 13.797 10.979 5.146 1.00 0.80 H new ATOM 0 HG22 VAL A 108 13.026 9.843 6.279 1.00 0.80 H new ATOM 0 HG23 VAL A 108 12.866 9.596 4.524 1.00 0.80 H new ATOM 1616 N GLY A 109 10.390 9.099 7.624 1.00 0.15 N ATOM 1617 CA GLY A 109 10.185 8.920 9.040 1.00 0.17 C ATOM 1618 C GLY A 109 8.807 8.391 9.353 1.00 0.18 C ATOM 1619 O GLY A 109 8.398 8.370 10.514 1.00 0.28 O ATOM 0 H GLY A 109 10.786 8.291 7.144 1.00 0.15 H new ATOM 0 HA2 GLY A 109 10.934 8.231 9.430 1.00 0.17 H new ATOM 0 HA3 GLY A 109 10.332 9.872 9.550 1.00 0.17 H new ATOM 1623 N GLU A 110 8.079 7.959 8.330 1.00 0.13 N ATOM 1624 CA GLU A 110 6.755 7.432 8.551 1.00 0.13 C ATOM 1625 C GLU A 110 6.776 5.916 8.599 1.00 0.10 C ATOM 1626 O GLU A 110 7.768 5.274 8.247 1.00 0.12 O ATOM 1627 CB GLU A 110 5.760 7.913 7.485 1.00 0.17 C ATOM 1628 CG GLU A 110 5.702 7.088 6.219 1.00 0.20 C ATOM 1629 CD GLU A 110 4.434 7.348 5.417 1.00 0.27 C ATOM 1630 OE1 GLU A 110 4.181 8.517 5.043 1.00 0.41 O ATOM 1631 OE2 GLU A 110 3.674 6.397 5.166 1.00 0.39 O ATOM 0 H GLU A 110 8.384 7.966 7.357 1.00 0.13 H new ATOM 0 HA GLU A 110 6.419 7.811 9.516 1.00 0.13 H new ATOM 0 HB2 GLU A 110 4.764 7.935 7.928 1.00 0.17 H new ATOM 0 HB3 GLU A 110 6.012 8.939 7.216 1.00 0.17 H new ATOM 0 HG2 GLU A 110 6.572 7.312 5.602 1.00 0.20 H new ATOM 0 HG3 GLU A 110 5.757 6.030 6.475 1.00 0.20 H new ATOM 1638 N THR A 111 5.678 5.360 9.058 1.00 0.10 N ATOM 1639 CA THR A 111 5.489 3.937 9.077 1.00 0.11 C ATOM 1640 C THR A 111 4.160 3.634 8.422 1.00 0.11 C ATOM 1641 O THR A 111 3.116 4.100 8.876 1.00 0.12 O ATOM 1642 CB THR A 111 5.521 3.379 10.512 1.00 0.16 C ATOM 1643 OG1 THR A 111 6.629 3.945 11.223 1.00 0.22 O ATOM 1644 CG2 THR A 111 5.657 1.864 10.499 1.00 0.19 C ATOM 0 H THR A 111 4.890 5.890 9.430 1.00 0.10 H new ATOM 0 HA THR A 111 6.303 3.457 8.533 1.00 0.11 H new ATOM 0 HB THR A 111 4.586 3.644 11.005 1.00 0.16 H new ATOM 0 HG1 THR A 111 6.647 3.590 12.136 1.00 0.22 H new ATOM 0 HG21 THR A 111 5.678 1.492 11.523 1.00 0.19 H new ATOM 0 HG22 THR A 111 4.809 1.427 9.971 1.00 0.19 H new ATOM 0 HG23 THR A 111 6.582 1.586 9.993 1.00 0.19 H new ATOM 1652 N ALA A 112 4.202 2.899 7.334 1.00 0.12 N ATOM 1653 CA ALA A 112 3.013 2.643 6.560 1.00 0.13 C ATOM 1654 C ALA A 112 2.739 1.161 6.482 1.00 0.12 C ATOM 1655 O ALA A 112 3.653 0.365 6.288 1.00 0.13 O ATOM 1656 CB ALA A 112 3.170 3.219 5.171 1.00 0.18 C ATOM 0 H ALA A 112 5.050 2.468 6.966 1.00 0.12 H new ATOM 0 HA ALA A 112 2.167 3.123 7.051 1.00 0.13 H new ATOM 0 HB1 ALA A 112 2.268 3.022 4.591 1.00 0.18 H new ATOM 0 HB2 ALA A 112 3.330 4.295 5.239 1.00 0.18 H new ATOM 0 HB3 ALA A 112 4.026 2.756 4.680 1.00 0.18 H new ATOM 1662 N MET A 113 1.489 0.791 6.650 1.00 0.12 N ATOM 1663 CA MET A 113 1.090 -0.576 6.423 1.00 0.12 C ATOM 1664 C MET A 113 0.413 -0.638 5.074 1.00 0.12 C ATOM 1665 O MET A 113 -0.611 0.004 4.855 1.00 0.14 O ATOM 1666 CB MET A 113 0.153 -1.079 7.524 1.00 0.16 C ATOM 1667 CG MET A 113 -0.474 -2.424 7.198 1.00 0.25 C ATOM 1668 SD MET A 113 -1.212 -3.235 8.626 1.00 0.53 S ATOM 1669 CE MET A 113 -2.661 -2.220 8.874 1.00 1.32 C ATOM 0 H MET A 113 0.737 1.415 6.941 1.00 0.12 H new ATOM 0 HA MET A 113 1.967 -1.223 6.441 1.00 0.12 H new ATOM 0 HB2 MET A 113 0.709 -1.160 8.458 1.00 0.16 H new ATOM 0 HB3 MET A 113 -0.637 -0.345 7.685 1.00 0.16 H new ATOM 0 HG2 MET A 113 -1.238 -2.284 6.434 1.00 0.25 H new ATOM 0 HG3 MET A 113 0.287 -3.077 6.772 1.00 0.25 H new ATOM 0 HE1 MET A 113 -3.372 -2.749 9.509 1.00 1.32 H new ATOM 0 HE2 MET A 113 -2.372 -1.285 9.354 1.00 1.32 H new ATOM 0 HE3 MET A 113 -3.124 -2.006 7.911 1.00 1.32 H new ATOM 1679 N VAL A 114 1.001 -1.382 4.168 1.00 0.12 N ATOM 1680 CA VAL A 114 0.506 -1.460 2.814 1.00 0.12 C ATOM 1681 C VAL A 114 -0.065 -2.831 2.564 1.00 0.13 C ATOM 1682 O VAL A 114 0.545 -3.832 2.937 1.00 0.16 O ATOM 1683 CB VAL A 114 1.641 -1.226 1.806 1.00 0.15 C ATOM 1684 CG1 VAL A 114 1.116 -1.017 0.398 1.00 0.18 C ATOM 1685 CG2 VAL A 114 2.504 -0.065 2.246 1.00 0.17 C ATOM 0 H VAL A 114 1.831 -1.947 4.346 1.00 0.12 H new ATOM 0 HA VAL A 114 -0.259 -0.694 2.688 1.00 0.12 H new ATOM 0 HB VAL A 114 2.255 -2.126 1.783 1.00 0.15 H new ATOM 0 HG11 VAL A 114 1.952 -0.855 -0.282 1.00 0.18 H new ATOM 0 HG12 VAL A 114 0.558 -1.899 0.083 1.00 0.18 H new ATOM 0 HG13 VAL A 114 0.460 -0.147 0.380 1.00 0.18 H new ATOM 0 HG21 VAL A 114 3.304 0.089 1.522 1.00 0.17 H new ATOM 0 HG22 VAL A 114 1.895 0.837 2.311 1.00 0.17 H new ATOM 0 HG23 VAL A 114 2.936 -0.282 3.223 1.00 0.17 H new ATOM 1695 N THR A 115 -1.225 -2.904 1.956 1.00 0.14 N ATOM 1696 CA THR A 115 -1.700 -4.171 1.517 1.00 0.14 C ATOM 1697 C THR A 115 -1.601 -4.224 0.018 1.00 0.13 C ATOM 1698 O THR A 115 -2.251 -3.463 -0.698 1.00 0.16 O ATOM 1699 CB THR A 115 -3.123 -4.465 1.987 1.00 0.17 C ATOM 1700 OG1 THR A 115 -3.167 -4.403 3.412 1.00 0.21 O ATOM 1701 CG2 THR A 115 -3.542 -5.846 1.544 1.00 0.20 C ATOM 0 H THR A 115 -1.838 -2.112 1.762 1.00 0.14 H new ATOM 0 HA THR A 115 -1.077 -4.947 1.963 1.00 0.14 H new ATOM 0 HB THR A 115 -3.800 -3.728 1.555 1.00 0.17 H new ATOM 0 HG1 THR A 115 -3.728 -3.649 3.689 1.00 0.21 H new ATOM 0 HG21 THR A 115 -4.558 -6.045 1.885 1.00 0.20 H new ATOM 0 HG22 THR A 115 -3.506 -5.906 0.456 1.00 0.20 H new ATOM 0 HG23 THR A 115 -2.865 -6.586 1.971 1.00 0.20 H new ATOM 1709 N ALA A 116 -0.740 -5.100 -0.426 1.00 0.12 N ATOM 1710 CA ALA A 116 -0.457 -5.268 -1.827 1.00 0.13 C ATOM 1711 C ALA A 116 -0.621 -6.715 -2.189 1.00 0.12 C ATOM 1712 O ALA A 116 -0.114 -7.593 -1.490 1.00 0.13 O ATOM 1713 CB ALA A 116 0.947 -4.800 -2.144 1.00 0.15 C ATOM 0 H ALA A 116 -0.209 -5.724 0.181 1.00 0.12 H new ATOM 0 HA ALA A 116 -1.152 -4.666 -2.412 1.00 0.13 H new ATOM 0 HB1 ALA A 116 1.144 -4.934 -3.208 1.00 0.15 H new ATOM 0 HB2 ALA A 116 1.046 -3.745 -1.887 1.00 0.15 H new ATOM 0 HB3 ALA A 116 1.664 -5.383 -1.566 1.00 0.15 H new ATOM 1719 N ASP A 117 -1.358 -6.966 -3.250 1.00 0.13 N ATOM 1720 CA ASP A 117 -1.515 -8.315 -3.746 1.00 0.13 C ATOM 1721 C ASP A 117 -0.149 -8.937 -3.957 1.00 0.11 C ATOM 1722 O ASP A 117 0.804 -8.236 -4.305 1.00 0.12 O ATOM 1723 CB ASP A 117 -2.274 -8.333 -5.057 1.00 0.16 C ATOM 1724 CG ASP A 117 -2.908 -9.679 -5.313 1.00 0.20 C ATOM 1725 OD1 ASP A 117 -2.215 -10.567 -5.839 1.00 0.50 O ATOM 1726 OD2 ASP A 117 -4.108 -9.851 -5.002 1.00 0.58 O ATOM 0 H ASP A 117 -1.857 -6.255 -3.784 1.00 0.13 H new ATOM 0 HA ASP A 117 -2.082 -8.884 -3.009 1.00 0.13 H new ATOM 0 HB2 ASP A 117 -3.046 -7.563 -5.042 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -1.596 -8.088 -5.874 1.00 0.16 H new ATOM 1731 N SER A 118 -0.053 -10.241 -3.753 1.00 0.13 N ATOM 1732 CA SER A 118 1.204 -10.945 -3.914 1.00 0.16 C ATOM 1733 C SER A 118 1.801 -10.651 -5.290 1.00 0.13 C ATOM 1734 O SER A 118 3.006 -10.641 -5.462 1.00 0.15 O ATOM 1735 CB SER A 118 0.991 -12.444 -3.743 1.00 0.27 C ATOM 1736 OG SER A 118 2.173 -13.091 -3.317 1.00 0.82 O ATOM 0 H SER A 118 -0.835 -10.833 -3.475 1.00 0.13 H new ATOM 0 HA SER A 118 1.900 -10.600 -3.150 1.00 0.16 H new ATOM 0 HB2 SER A 118 0.197 -12.619 -3.017 1.00 0.27 H new ATOM 0 HB3 SER A 118 0.659 -12.875 -4.688 1.00 0.27 H new ATOM 0 HG SER A 118 2.458 -12.718 -2.457 1.00 0.82 H new ATOM 1742 N LYS A 119 0.953 -10.385 -6.262 1.00 0.13 N ATOM 1743 CA LYS A 119 1.413 -10.026 -7.596 1.00 0.14 C ATOM 1744 C LYS A 119 2.370 -8.823 -7.573 1.00 0.14 C ATOM 1745 O LYS A 119 3.281 -8.739 -8.398 1.00 0.18 O ATOM 1746 CB LYS A 119 0.218 -9.745 -8.499 1.00 0.17 C ATOM 1747 CG LYS A 119 -0.762 -8.750 -7.919 1.00 0.19 C ATOM 1748 CD LYS A 119 -1.956 -8.533 -8.831 1.00 0.29 C ATOM 1749 CE LYS A 119 -2.743 -9.817 -9.028 1.00 0.38 C ATOM 1750 NZ LYS A 119 -3.940 -9.607 -9.879 1.00 0.81 N ATOM 0 H LYS A 119 -0.061 -10.410 -6.157 1.00 0.13 H new ATOM 0 HA LYS A 119 1.974 -10.872 -7.994 1.00 0.14 H new ATOM 0 HB2 LYS A 119 0.578 -9.370 -9.457 1.00 0.17 H new ATOM 0 HB3 LYS A 119 -0.304 -10.681 -8.698 1.00 0.17 H new ATOM 0 HG2 LYS A 119 -1.107 -9.104 -6.948 1.00 0.19 H new ATOM 0 HG3 LYS A 119 -0.257 -7.799 -7.750 1.00 0.19 H new ATOM 0 HD2 LYS A 119 -2.606 -7.768 -8.406 1.00 0.29 H new ATOM 0 HD3 LYS A 119 -1.615 -8.161 -9.797 1.00 0.29 H new ATOM 0 HE2 LYS A 119 -2.101 -10.570 -9.484 1.00 0.38 H new ATOM 0 HE3 LYS A 119 -3.051 -10.206 -8.058 1.00 0.38 H new ATOM 0 HZ1 LYS A 119 -4.450 -10.507 -9.989 1.00 0.81 H new ATOM 0 HZ2 LYS A 119 -4.566 -8.907 -9.431 1.00 0.81 H new ATOM 0 HZ3 LYS A 119 -3.645 -9.260 -10.814 1.00 0.81 H new ATOM 1764 N TYR A 120 2.183 -7.906 -6.622 1.00 0.13 N ATOM 1765 CA TYR A 120 3.094 -6.774 -6.458 1.00 0.15 C ATOM 1766 C TYR A 120 4.134 -7.090 -5.404 1.00 0.15 C ATOM 1767 O TYR A 120 5.020 -6.280 -5.117 1.00 0.19 O ATOM 1768 CB TYR A 120 2.328 -5.511 -6.054 1.00 0.16 C ATOM 1769 CG TYR A 120 1.327 -5.070 -7.073 1.00 0.20 C ATOM 1770 CD1 TYR A 120 0.047 -5.594 -7.081 1.00 0.23 C ATOM 1771 CD2 TYR A 120 1.660 -4.116 -8.019 1.00 0.28 C ATOM 1772 CE1 TYR A 120 -0.879 -5.175 -8.009 1.00 0.30 C ATOM 1773 CE2 TYR A 120 0.741 -3.686 -8.942 1.00 0.34 C ATOM 1774 CZ TYR A 120 -0.520 -4.292 -8.980 1.00 0.34 C ATOM 1775 OH TYR A 120 -1.452 -3.791 -9.861 1.00 0.42 O ATOM 0 H TYR A 120 1.411 -7.926 -5.956 1.00 0.13 H new ATOM 0 HA TYR A 120 3.586 -6.596 -7.414 1.00 0.15 H new ATOM 0 HB2 TYR A 120 1.817 -5.692 -5.109 1.00 0.16 H new ATOM 0 HB3 TYR A 120 3.040 -4.703 -5.882 1.00 0.16 H new ATOM 0 HD1 TYR A 120 -0.229 -6.340 -6.351 1.00 0.23 H new ATOM 0 HD2 TYR A 120 2.658 -3.704 -8.031 1.00 0.28 H new ATOM 0 HE1 TYR A 120 -1.892 -5.548 -7.966 1.00 0.30 H new ATOM 0 HE2 TYR A 120 0.987 -2.891 -9.630 1.00 0.34 H new ATOM 0 HH TYR A 120 -1.015 -3.174 -10.484 1.00 0.42 H new ATOM 1785 N CYS A 121 4.019 -8.276 -4.843 1.00 0.14 N ATOM 1786 CA CYS A 121 4.887 -8.702 -3.770 1.00 0.15 C ATOM 1787 C CYS A 121 5.693 -9.929 -4.185 1.00 0.16 C ATOM 1788 O CYS A 121 6.798 -9.787 -4.695 1.00 0.18 O ATOM 1789 CB CYS A 121 4.070 -8.979 -2.516 1.00 0.14 C ATOM 1790 SG CYS A 121 3.129 -7.549 -1.933 1.00 0.16 S ATOM 0 H CYS A 121 3.323 -8.968 -5.119 1.00 0.14 H new ATOM 0 HA CYS A 121 5.593 -7.901 -3.549 1.00 0.15 H new ATOM 0 HB2 CYS A 121 3.381 -9.800 -2.716 1.00 0.14 H new ATOM 0 HB3 CYS A 121 4.740 -9.311 -1.722 1.00 0.14 H new ATOM 0 HG CYS A 121 1.862 -7.840 -1.917 1.00 0.16 H new ATOM 1796 N TYR A 122 5.154 -11.139 -3.985 1.00 0.16 N ATOM 1797 CA TYR A 122 5.861 -12.341 -4.412 1.00 0.18 C ATOM 1798 C TYR A 122 4.902 -13.427 -4.907 1.00 0.18 C ATOM 1799 O TYR A 122 5.160 -14.601 -4.690 1.00 0.20 O ATOM 1800 CB TYR A 122 6.713 -12.923 -3.272 1.00 0.19 C ATOM 1801 CG TYR A 122 7.495 -11.912 -2.463 1.00 0.20 C ATOM 1802 CD1 TYR A 122 8.771 -11.532 -2.849 1.00 0.21 C ATOM 1803 CD2 TYR A 122 6.966 -11.352 -1.306 1.00 0.19 C ATOM 1804 CE1 TYR A 122 9.498 -10.622 -2.111 1.00 0.23 C ATOM 1805 CE2 TYR A 122 7.688 -10.441 -0.562 1.00 0.20 C ATOM 1806 CZ TYR A 122 8.954 -10.078 -0.967 1.00 0.22 C ATOM 1807 OH TYR A 122 9.680 -9.172 -0.227 1.00 0.24 O ATOM 0 H TYR A 122 4.251 -11.305 -3.540 1.00 0.16 H new ATOM 0 HA TYR A 122 6.506 -12.036 -5.236 1.00 0.18 H new ATOM 0 HB2 TYR A 122 6.058 -13.474 -2.597 1.00 0.19 H new ATOM 0 HB3 TYR A 122 7.413 -13.643 -3.696 1.00 0.19 H new ATOM 0 HD1 TYR A 122 9.203 -11.956 -3.743 1.00 0.21 H new ATOM 0 HD2 TYR A 122 5.974 -11.634 -0.984 1.00 0.19 H new ATOM 0 HE1 TYR A 122 10.490 -10.336 -2.428 1.00 0.23 H new ATOM 0 HE2 TYR A 122 7.262 -10.014 0.334 1.00 0.20 H new ATOM 0 HH TYR A 122 9.131 -8.380 -0.049 1.00 0.24 H new ATOM 1817 N GLY A 123 3.815 -13.053 -5.579 1.00 0.19 N ATOM 1818 CA GLY A 123 2.888 -14.042 -6.107 1.00 0.21 C ATOM 1819 C GLY A 123 3.552 -15.049 -7.016 1.00 0.21 C ATOM 1820 O GLY A 123 3.792 -16.185 -6.620 1.00 0.25 O ATOM 0 H GLY A 123 3.560 -12.084 -5.767 1.00 0.19 H new ATOM 0 HA2 GLY A 123 2.414 -14.567 -5.277 1.00 0.21 H new ATOM 0 HA3 GLY A 123 2.096 -13.533 -6.656 1.00 0.21 H new ATOM 1824 N PRO A 124 3.856 -14.666 -8.258 1.00 0.25 N ATOM 1825 CA PRO A 124 4.568 -15.528 -9.189 1.00 0.30 C ATOM 1826 C PRO A 124 6.068 -15.506 -8.934 1.00 0.30 C ATOM 1827 O PRO A 124 6.847 -16.125 -9.661 1.00 0.34 O ATOM 1828 CB PRO A 124 4.250 -14.924 -10.569 1.00 0.37 C ATOM 1829 CG PRO A 124 3.347 -13.755 -10.318 1.00 0.58 C ATOM 1830 CD PRO A 124 3.513 -13.383 -8.874 1.00 0.32 C ATOM 0 HA PRO A 124 4.265 -16.571 -9.096 1.00 0.30 H new ATOM 0 HB2 PRO A 124 5.162 -14.609 -11.075 1.00 0.37 H new ATOM 0 HB3 PRO A 124 3.766 -15.658 -11.213 1.00 0.37 H new ATOM 0 HG2 PRO A 124 3.609 -12.918 -10.966 1.00 0.58 H new ATOM 0 HG3 PRO A 124 2.310 -14.013 -10.534 1.00 0.58 H new ATOM 0 HD2 PRO A 124 4.299 -12.641 -8.733 1.00 0.32 H new ATOM 0 HD3 PRO A 124 2.599 -12.962 -8.455 1.00 0.32 H new ATOM 1838 N GLN A 125 6.469 -14.791 -7.891 1.00 0.27 N ATOM 1839 CA GLN A 125 7.880 -14.562 -7.624 1.00 0.30 C ATOM 1840 C GLN A 125 8.334 -15.430 -6.467 1.00 0.32 C ATOM 1841 O GLN A 125 9.321 -16.160 -6.559 1.00 0.39 O ATOM 1842 CB GLN A 125 8.123 -13.090 -7.292 1.00 0.30 C ATOM 1843 CG GLN A 125 7.167 -12.140 -7.992 1.00 0.33 C ATOM 1844 CD GLN A 125 7.422 -10.693 -7.643 1.00 0.35 C ATOM 1845 OE1 GLN A 125 8.563 -10.284 -7.435 1.00 0.65 O ATOM 1846 NE2 GLN A 125 6.356 -9.918 -7.527 1.00 0.29 N ATOM 0 H GLN A 125 5.836 -14.360 -7.217 1.00 0.27 H new ATOM 0 HA GLN A 125 8.452 -14.822 -8.515 1.00 0.30 H new ATOM 0 HB2 GLN A 125 8.036 -12.951 -6.214 1.00 0.30 H new ATOM 0 HB3 GLN A 125 9.145 -12.829 -7.565 1.00 0.30 H new ATOM 0 HG2 GLN A 125 7.257 -12.270 -9.070 1.00 0.33 H new ATOM 0 HG3 GLN A 125 6.143 -12.399 -7.724 1.00 0.33 H new ATOM 0 HE21 GLN A 125 5.427 -10.298 -7.709 1.00 0.29 H new ATOM 0 HE22 GLN A 125 6.463 -8.941 -7.256 1.00 0.29 H new ATOM 1855 N GLY A 126 7.587 -15.333 -5.380 1.00 0.27 N ATOM 1856 CA GLY A 126 7.923 -16.022 -4.162 1.00 0.27 C ATOM 1857 C GLY A 126 8.920 -15.240 -3.348 1.00 0.28 C ATOM 1858 O GLY A 126 9.825 -14.605 -3.891 1.00 0.30 O ATOM 0 H GLY A 126 6.735 -14.775 -5.325 1.00 0.27 H new ATOM 0 HA2 GLY A 126 7.020 -16.187 -3.574 1.00 0.27 H new ATOM 0 HA3 GLY A 126 8.333 -17.004 -4.398 1.00 0.27 H new ATOM 1862 N SER A 127 8.746 -15.267 -2.047 1.00 0.27 N ATOM 1863 CA SER A 127 9.574 -14.480 -1.167 1.00 0.28 C ATOM 1864 C SER A 127 10.806 -15.267 -0.719 1.00 0.32 C ATOM 1865 O SER A 127 10.798 -16.500 -0.707 1.00 0.33 O ATOM 1866 CB SER A 127 8.738 -13.984 0.027 1.00 0.27 C ATOM 1867 OG SER A 127 9.547 -13.432 1.052 1.00 0.30 O ATOM 0 H SER A 127 8.036 -15.827 -1.575 1.00 0.27 H new ATOM 0 HA SER A 127 9.942 -13.608 -1.708 1.00 0.28 H new ATOM 0 HB2 SER A 127 8.026 -13.233 -0.316 1.00 0.27 H new ATOM 0 HB3 SER A 127 8.157 -14.813 0.431 1.00 0.27 H new ATOM 0 HG SER A 127 9.030 -12.769 1.555 1.00 0.30 H new ATOM 1873 N ARG A 128 11.875 -14.527 -0.400 1.00 0.38 N ATOM 1874 CA ARG A 128 13.180 -15.107 -0.079 1.00 0.42 C ATOM 1875 C ARG A 128 13.080 -16.170 1.016 1.00 0.42 C ATOM 1876 O ARG A 128 13.715 -17.220 0.924 1.00 0.52 O ATOM 1877 CB ARG A 128 14.169 -14.007 0.344 1.00 0.52 C ATOM 1878 CG ARG A 128 13.807 -13.315 1.648 1.00 1.12 C ATOM 1879 CD ARG A 128 14.863 -12.307 2.066 1.00 1.41 C ATOM 1880 NE ARG A 128 14.585 -10.963 1.566 1.00 1.81 N ATOM 1881 CZ ARG A 128 14.932 -9.848 2.214 1.00 2.33 C ATOM 1882 NH1 ARG A 128 15.685 -9.921 3.303 1.00 2.45 N ATOM 1883 NH2 ARG A 128 14.568 -8.662 1.748 1.00 3.17 N ATOM 0 H ARG A 128 11.857 -13.508 -0.358 1.00 0.38 H new ATOM 0 HA ARG A 128 13.548 -15.594 -0.982 1.00 0.42 H new ATOM 0 HB2 ARG A 128 15.163 -14.444 0.441 1.00 0.52 H new ATOM 0 HB3 ARG A 128 14.225 -13.260 -0.448 1.00 0.52 H new ATOM 0 HG2 ARG A 128 12.847 -12.810 1.537 1.00 1.12 H new ATOM 0 HG3 ARG A 128 13.686 -14.061 2.433 1.00 1.12 H new ATOM 0 HD2 ARG A 128 14.924 -12.281 3.154 1.00 1.41 H new ATOM 0 HD3 ARG A 128 15.836 -12.633 1.700 1.00 1.41 H new ATOM 0 HE ARG A 128 14.100 -10.871 0.674 1.00 1.81 H new ATOM 0 HH11 ARG A 128 15.999 -10.829 3.646 1.00 2.45 H new ATOM 0 HH12 ARG A 128 15.950 -9.069 3.798 1.00 2.45 H new ATOM 0 HH21 ARG A 128 14.020 -8.597 0.890 1.00 3.17 H new ATOM 0 HH22 ARG A 128 14.836 -7.814 2.247 1.00 3.17 H new ATOM 1897 N SER A 129 12.294 -15.901 2.048 1.00 0.42 N ATOM 1898 CA SER A 129 12.116 -16.865 3.113 1.00 0.44 C ATOM 1899 C SER A 129 11.011 -17.854 2.721 1.00 0.41 C ATOM 1900 O SER A 129 11.294 -19.034 2.515 1.00 0.44 O ATOM 1901 CB SER A 129 11.841 -16.157 4.448 1.00 0.48 C ATOM 1902 OG SER A 129 12.785 -15.120 4.670 1.00 1.23 O ATOM 0 H SER A 129 11.776 -15.031 2.167 1.00 0.42 H new ATOM 0 HA SER A 129 13.034 -17.435 3.257 1.00 0.44 H new ATOM 0 HB2 SER A 129 10.833 -15.743 4.445 1.00 0.48 H new ATOM 0 HB3 SER A 129 11.887 -16.878 5.264 1.00 0.48 H new ATOM 0 HG SER A 129 12.592 -14.680 5.524 1.00 1.23 H new ATOM 1908 N PRO A 130 9.737 -17.419 2.591 1.00 0.37 N ATOM 1909 CA PRO A 130 8.689 -18.248 2.052 1.00 0.36 C ATOM 1910 C PRO A 130 8.322 -17.832 0.636 1.00 0.32 C ATOM 1911 O PRO A 130 8.019 -16.675 0.388 1.00 0.27 O ATOM 1912 CB PRO A 130 7.514 -17.923 2.988 1.00 0.37 C ATOM 1913 CG PRO A 130 7.881 -16.623 3.662 1.00 0.37 C ATOM 1914 CD PRO A 130 9.153 -16.148 3.007 1.00 0.37 C ATOM 0 HA PRO A 130 8.966 -19.301 2.000 1.00 0.36 H new ATOM 0 HB2 PRO A 130 6.583 -17.826 2.430 1.00 0.37 H new ATOM 0 HB3 PRO A 130 7.365 -18.716 3.721 1.00 0.37 H new ATOM 0 HG2 PRO A 130 7.086 -15.887 3.545 1.00 0.37 H new ATOM 0 HG3 PRO A 130 8.026 -16.768 4.733 1.00 0.37 H new ATOM 0 HD2 PRO A 130 8.961 -15.486 2.163 1.00 0.37 H new ATOM 0 HD3 PRO A 130 9.796 -15.604 3.699 1.00 0.37 H new ATOM 1922 N TYR A 131 8.347 -18.762 -0.294 1.00 0.33 N ATOM 1923 CA TYR A 131 7.757 -18.517 -1.593 1.00 0.32 C ATOM 1924 C TYR A 131 6.279 -18.207 -1.382 1.00 0.30 C ATOM 1925 O TYR A 131 5.467 -19.115 -1.192 1.00 0.32 O ATOM 1926 CB TYR A 131 7.947 -19.738 -2.502 1.00 0.36 C ATOM 1927 CG TYR A 131 7.534 -19.522 -3.947 1.00 0.45 C ATOM 1928 CD1 TYR A 131 6.193 -19.411 -4.302 1.00 0.78 C ATOM 1929 CD2 TYR A 131 8.486 -19.440 -4.956 1.00 1.00 C ATOM 1930 CE1 TYR A 131 5.814 -19.221 -5.619 1.00 0.87 C ATOM 1931 CE2 TYR A 131 8.114 -19.249 -6.276 1.00 1.14 C ATOM 1932 CZ TYR A 131 6.778 -19.143 -6.603 1.00 0.81 C ATOM 1933 OH TYR A 131 6.405 -18.955 -7.916 1.00 1.00 O ATOM 0 H TYR A 131 8.765 -19.685 -0.178 1.00 0.33 H new ATOM 0 HA TYR A 131 8.242 -17.673 -2.084 1.00 0.32 H new ATOM 0 HB2 TYR A 131 8.996 -20.032 -2.478 1.00 0.36 H new ATOM 0 HB3 TYR A 131 7.373 -20.570 -2.095 1.00 0.36 H new ATOM 0 HD1 TYR A 131 5.435 -19.474 -3.536 1.00 0.78 H new ATOM 0 HD2 TYR A 131 9.533 -19.527 -4.707 1.00 1.00 H new ATOM 0 HE1 TYR A 131 4.769 -19.134 -5.876 1.00 0.87 H new ATOM 0 HE2 TYR A 131 8.867 -19.183 -7.047 1.00 1.14 H new ATOM 0 HH TYR A 131 7.205 -18.921 -8.482 1.00 1.00 H new ATOM 1943 N ILE A 132 5.954 -16.920 -1.348 1.00 0.27 N ATOM 1944 CA ILE A 132 4.611 -16.482 -1.040 1.00 0.26 C ATOM 1945 C ILE A 132 3.659 -16.937 -2.140 1.00 0.25 C ATOM 1946 O ILE A 132 3.921 -16.699 -3.319 1.00 0.25 O ATOM 1947 CB ILE A 132 4.517 -14.941 -0.894 1.00 0.25 C ATOM 1948 CG1 ILE A 132 5.519 -14.378 0.113 1.00 0.39 C ATOM 1949 CG2 ILE A 132 3.112 -14.539 -0.492 1.00 0.26 C ATOM 1950 CD1 ILE A 132 5.531 -15.064 1.448 1.00 0.23 C ATOM 0 H ILE A 132 6.612 -16.162 -1.532 1.00 0.27 H new ATOM 0 HA ILE A 132 4.334 -16.928 -0.085 1.00 0.26 H new ATOM 0 HB ILE A 132 4.764 -14.519 -1.868 1.00 0.25 H new ATOM 0 HG12 ILE A 132 6.518 -14.439 -0.319 1.00 0.39 H new ATOM 0 HG13 ILE A 132 5.302 -13.321 0.267 1.00 0.39 H new ATOM 0 HG21 ILE A 132 3.058 -13.455 -0.392 1.00 0.26 H new ATOM 0 HG22 ILE A 132 2.407 -14.869 -1.255 1.00 0.26 H new ATOM 0 HG23 ILE A 132 2.859 -15.004 0.461 1.00 0.26 H new ATOM 0 HD11 ILE A 132 6.274 -14.593 2.092 1.00 0.23 H new ATOM 0 HD12 ILE A 132 4.546 -14.981 1.908 1.00 0.23 H new ATOM 0 HD13 ILE A 132 5.782 -16.116 1.314 1.00 0.23 H new ATOM 1962 N PRO A 133 2.567 -17.629 -1.770 1.00 0.27 N ATOM 1963 CA PRO A 133 1.581 -18.124 -2.734 1.00 0.28 C ATOM 1964 C PRO A 133 1.092 -17.023 -3.667 1.00 0.26 C ATOM 1965 O PRO A 133 0.932 -15.867 -3.256 1.00 0.26 O ATOM 1966 CB PRO A 133 0.434 -18.627 -1.849 1.00 0.34 C ATOM 1967 CG PRO A 133 1.076 -18.957 -0.547 1.00 0.61 C ATOM 1968 CD PRO A 133 2.207 -17.979 -0.383 1.00 0.31 C ATOM 0 HA PRO A 133 1.996 -18.892 -3.387 1.00 0.28 H new ATOM 0 HB2 PRO A 133 -0.336 -17.865 -1.729 1.00 0.34 H new ATOM 0 HB3 PRO A 133 -0.048 -19.502 -2.285 1.00 0.34 H new ATOM 0 HG2 PRO A 133 0.363 -18.870 0.273 1.00 0.61 H new ATOM 0 HG3 PRO A 133 1.444 -19.983 -0.542 1.00 0.61 H new ATOM 0 HD2 PRO A 133 1.899 -17.101 0.185 1.00 0.31 H new ATOM 0 HD3 PRO A 133 3.048 -18.424 0.149 1.00 0.31 H new ATOM 1976 N PRO A 134 0.867 -17.357 -4.942 1.00 0.27 N ATOM 1977 CA PRO A 134 0.378 -16.398 -5.925 1.00 0.25 C ATOM 1978 C PRO A 134 -0.939 -15.765 -5.498 1.00 0.27 C ATOM 1979 O PRO A 134 -1.838 -16.452 -5.006 1.00 0.32 O ATOM 1980 CB PRO A 134 0.185 -17.231 -7.195 1.00 0.29 C ATOM 1981 CG PRO A 134 1.068 -18.417 -7.012 1.00 0.52 C ATOM 1982 CD PRO A 134 1.085 -18.691 -5.533 1.00 0.33 C ATOM 0 HA PRO A 134 1.071 -15.567 -6.057 1.00 0.25 H new ATOM 0 HB2 PRO A 134 -0.856 -17.529 -7.318 1.00 0.29 H new ATOM 0 HB3 PRO A 134 0.462 -16.665 -8.085 1.00 0.29 H new ATOM 0 HG2 PRO A 134 0.688 -19.276 -7.565 1.00 0.52 H new ATOM 0 HG3 PRO A 134 2.073 -18.218 -7.384 1.00 0.52 H new ATOM 0 HD2 PRO A 134 0.302 -19.392 -5.244 1.00 0.33 H new ATOM 0 HD3 PRO A 134 2.034 -19.123 -5.214 1.00 0.33 H new ATOM 1990 N HIS A 135 -1.012 -14.442 -5.648 1.00 0.26 N ATOM 1991 CA HIS A 135 -2.243 -13.673 -5.397 1.00 0.31 C ATOM 1992 C HIS A 135 -2.522 -13.538 -3.898 1.00 0.32 C ATOM 1993 O HIS A 135 -3.519 -12.937 -3.504 1.00 0.44 O ATOM 1994 CB HIS A 135 -3.450 -14.349 -6.070 1.00 0.41 C ATOM 1995 CG HIS A 135 -4.591 -13.454 -6.460 1.00 0.87 C ATOM 1996 ND1 HIS A 135 -4.705 -12.134 -6.094 1.00 1.81 N ATOM 1997 CD2 HIS A 135 -5.694 -13.730 -7.195 1.00 1.64 C ATOM 1998 CE1 HIS A 135 -5.826 -11.637 -6.585 1.00 2.38 C ATOM 1999 NE2 HIS A 135 -6.443 -12.583 -7.257 1.00 2.25 N ATOM 0 H HIS A 135 -0.223 -13.869 -5.947 1.00 0.26 H new ATOM 0 HA HIS A 135 -2.094 -12.679 -5.820 1.00 0.31 H new ATOM 0 HB2 HIS A 135 -3.098 -14.862 -6.965 1.00 0.41 H new ATOM 0 HB3 HIS A 135 -3.833 -15.114 -5.394 1.00 0.41 H new ATOM 0 HD1 HIS A 135 -4.029 -11.618 -5.531 1.00 1.81 H new ATOM 0 HD2 HIS A 135 -5.939 -14.679 -7.649 1.00 1.64 H new ATOM 0 HE1 HIS A 135 -6.177 -10.624 -6.456 1.00 2.38 H new ATOM 2008 N ALA A 136 -1.650 -14.094 -3.063 1.00 0.24 N ATOM 2009 CA ALA A 136 -1.839 -14.001 -1.622 1.00 0.24 C ATOM 2010 C ALA A 136 -1.663 -12.558 -1.188 1.00 0.21 C ATOM 2011 O ALA A 136 -0.599 -11.976 -1.377 1.00 0.22 O ATOM 2012 CB ALA A 136 -0.867 -14.908 -0.886 1.00 0.26 C ATOM 0 H ALA A 136 -0.818 -14.606 -3.355 1.00 0.24 H new ATOM 0 HA ALA A 136 -2.847 -14.332 -1.373 1.00 0.24 H new ATOM 0 HB1 ALA A 136 -1.029 -14.820 0.188 1.00 0.26 H new ATOM 0 HB2 ALA A 136 -1.029 -15.941 -1.194 1.00 0.26 H new ATOM 0 HB3 ALA A 136 0.156 -14.615 -1.124 1.00 0.26 H new ATOM 2018 N ALA A 137 -2.693 -11.974 -0.612 1.00 0.18 N ATOM 2019 CA ALA A 137 -2.669 -10.554 -0.348 1.00 0.19 C ATOM 2020 C ALA A 137 -1.730 -10.241 0.815 1.00 0.16 C ATOM 2021 O ALA A 137 -1.968 -10.649 1.951 1.00 0.20 O ATOM 2022 CB ALA A 137 -4.074 -10.037 -0.088 1.00 0.22 C ATOM 0 H ALA A 137 -3.545 -12.454 -0.322 1.00 0.18 H new ATOM 0 HA ALA A 137 -2.285 -10.040 -1.229 1.00 0.19 H new ATOM 0 HB1 ALA A 137 -4.037 -8.966 0.109 1.00 0.22 H new ATOM 0 HB2 ALA A 137 -4.698 -10.224 -0.962 1.00 0.22 H new ATOM 0 HB3 ALA A 137 -4.497 -10.550 0.776 1.00 0.22 H new ATOM 2028 N LEU A 138 -0.650 -9.539 0.512 1.00 0.13 N ATOM 2029 CA LEU A 138 0.377 -9.237 1.496 1.00 0.12 C ATOM 2030 C LEU A 138 0.092 -7.939 2.223 1.00 0.13 C ATOM 2031 O LEU A 138 -0.244 -6.930 1.607 1.00 0.15 O ATOM 2032 CB LEU A 138 1.742 -9.155 0.825 1.00 0.13 C ATOM 2033 CG LEU A 138 2.699 -10.261 1.237 1.00 0.15 C ATOM 2034 CD1 LEU A 138 2.067 -11.607 0.984 1.00 0.22 C ATOM 2035 CD2 LEU A 138 4.023 -10.149 0.507 1.00 0.19 C ATOM 0 H LEU A 138 -0.461 -9.164 -0.418 1.00 0.13 H new ATOM 0 HA LEU A 138 0.375 -10.045 2.228 1.00 0.12 H new ATOM 0 HB2 LEU A 138 1.607 -9.189 -0.256 1.00 0.13 H new ATOM 0 HB3 LEU A 138 2.194 -8.191 1.060 1.00 0.13 H new ATOM 0 HG LEU A 138 2.902 -10.156 2.303 1.00 0.15 H new ATOM 0 HD11 LEU A 138 2.758 -12.395 1.282 1.00 0.22 H new ATOM 0 HD12 LEU A 138 1.148 -11.692 1.564 1.00 0.22 H new ATOM 0 HD13 LEU A 138 1.837 -11.707 -0.077 1.00 0.22 H new ATOM 0 HD21 LEU A 138 4.683 -10.955 0.826 1.00 0.19 H new ATOM 0 HD22 LEU A 138 3.853 -10.222 -0.567 1.00 0.19 H new ATOM 0 HD23 LEU A 138 4.485 -9.189 0.737 1.00 0.19 H new ATOM 2047 N CYS A 139 0.233 -7.963 3.533 1.00 0.13 N ATOM 2048 CA CYS A 139 0.091 -6.762 4.327 1.00 0.14 C ATOM 2049 C CYS A 139 1.407 -6.474 5.029 1.00 0.13 C ATOM 2050 O CYS A 139 1.737 -7.082 6.046 1.00 0.14 O ATOM 2051 CB CYS A 139 -1.024 -6.939 5.343 1.00 0.18 C ATOM 2052 SG CYS A 139 -1.681 -5.392 6.000 1.00 1.20 S ATOM 0 H CYS A 139 0.446 -8.804 4.070 1.00 0.13 H new ATOM 0 HA CYS A 139 -0.165 -5.922 3.681 1.00 0.14 H new ATOM 0 HB2 CYS A 139 -1.837 -7.498 4.879 1.00 0.18 H new ATOM 0 HB3 CYS A 139 -0.653 -7.543 6.171 1.00 0.18 H new ATOM 0 HG CYS A 139 -2.376 -4.791 5.081 1.00 1.20 H new ATOM 2058 N LEU A 140 2.154 -5.553 4.475 1.00 0.13 N ATOM 2059 CA LEU A 140 3.505 -5.280 4.936 1.00 0.14 C ATOM 2060 C LEU A 140 3.602 -3.922 5.610 1.00 0.13 C ATOM 2061 O LEU A 140 3.032 -2.944 5.138 1.00 0.12 O ATOM 2062 CB LEU A 140 4.467 -5.350 3.762 1.00 0.17 C ATOM 2063 CG LEU A 140 4.101 -4.465 2.580 1.00 0.17 C ATOM 2064 CD1 LEU A 140 5.006 -3.244 2.546 1.00 0.26 C ATOM 2065 CD2 LEU A 140 4.186 -5.247 1.279 1.00 0.32 C ATOM 0 H LEU A 140 1.851 -4.970 3.695 1.00 0.13 H new ATOM 0 HA LEU A 140 3.771 -6.035 5.675 1.00 0.14 H new ATOM 0 HB2 LEU A 140 5.462 -5.073 4.110 1.00 0.17 H new ATOM 0 HB3 LEU A 140 4.525 -6.383 3.419 1.00 0.17 H new ATOM 0 HG LEU A 140 3.071 -4.127 2.697 1.00 0.17 H new ATOM 0 HD11 LEU A 140 4.737 -2.616 1.697 1.00 0.26 H new ATOM 0 HD12 LEU A 140 4.887 -2.677 3.469 1.00 0.26 H new ATOM 0 HD13 LEU A 140 6.044 -3.563 2.448 1.00 0.26 H new ATOM 0 HD21 LEU A 140 3.921 -4.597 0.446 1.00 0.32 H new ATOM 0 HD22 LEU A 140 5.202 -5.616 1.142 1.00 0.32 H new ATOM 0 HD23 LEU A 140 3.496 -6.090 1.315 1.00 0.32 H new ATOM 2077 N GLU A 141 4.309 -3.870 6.722 1.00 0.14 N ATOM 2078 CA GLU A 141 4.521 -2.623 7.425 1.00 0.13 C ATOM 2079 C GLU A 141 5.939 -2.139 7.145 1.00 0.12 C ATOM 2080 O GLU A 141 6.899 -2.883 7.345 1.00 0.15 O ATOM 2081 CB GLU A 141 4.295 -2.834 8.924 1.00 0.18 C ATOM 2082 CG GLU A 141 4.538 -1.602 9.769 1.00 0.26 C ATOM 2083 CD GLU A 141 4.435 -1.893 11.254 1.00 0.30 C ATOM 2084 OE1 GLU A 141 4.073 -3.033 11.610 1.00 1.00 O ATOM 2085 OE2 GLU A 141 4.698 -0.983 12.070 1.00 1.05 O ATOM 0 H GLU A 141 4.747 -4.681 7.158 1.00 0.14 H new ATOM 0 HA GLU A 141 3.815 -1.867 7.081 1.00 0.13 H new ATOM 0 HB2 GLU A 141 3.271 -3.172 9.081 1.00 0.18 H new ATOM 0 HB3 GLU A 141 4.951 -3.633 9.270 1.00 0.18 H new ATOM 0 HG2 GLU A 141 5.527 -1.201 9.547 1.00 0.26 H new ATOM 0 HG3 GLU A 141 3.815 -0.832 9.501 1.00 0.26 H new ATOM 2092 N VAL A 142 6.073 -0.918 6.649 1.00 0.12 N ATOM 2093 CA VAL A 142 7.375 -0.386 6.298 1.00 0.12 C ATOM 2094 C VAL A 142 7.687 0.916 7.037 1.00 0.12 C ATOM 2095 O VAL A 142 6.899 1.861 7.026 1.00 0.15 O ATOM 2096 CB VAL A 142 7.507 -0.162 4.777 1.00 0.14 C ATOM 2097 CG1 VAL A 142 7.752 -1.484 4.073 1.00 0.19 C ATOM 2098 CG2 VAL A 142 6.267 0.512 4.207 1.00 0.19 C ATOM 0 H VAL A 142 5.295 -0.280 6.482 1.00 0.12 H new ATOM 0 HA VAL A 142 8.101 -1.137 6.609 1.00 0.12 H new ATOM 0 HB VAL A 142 8.358 0.498 4.607 1.00 0.14 H new ATOM 0 HG11 VAL A 142 7.843 -1.314 3.000 1.00 0.19 H new ATOM 0 HG12 VAL A 142 8.672 -1.931 4.449 1.00 0.19 H new ATOM 0 HG13 VAL A 142 6.917 -2.158 4.263 1.00 0.19 H new ATOM 0 HG21 VAL A 142 6.392 0.656 3.134 1.00 0.19 H new ATOM 0 HG22 VAL A 142 5.395 -0.116 4.390 1.00 0.19 H new ATOM 0 HG23 VAL A 142 6.125 1.480 4.688 1.00 0.19 H new ATOM 2108 N THR A 143 8.828 0.937 7.710 1.00 0.13 N ATOM 2109 CA THR A 143 9.357 2.158 8.301 1.00 0.13 C ATOM 2110 C THR A 143 10.374 2.800 7.363 1.00 0.12 C ATOM 2111 O THR A 143 11.413 2.207 7.081 1.00 0.15 O ATOM 2112 CB THR A 143 10.080 1.879 9.635 1.00 0.17 C ATOM 2113 OG1 THR A 143 9.300 0.994 10.452 1.00 0.28 O ATOM 2114 CG2 THR A 143 10.331 3.180 10.392 1.00 0.22 C ATOM 0 H THR A 143 9.411 0.114 7.861 1.00 0.13 H new ATOM 0 HA THR A 143 8.506 2.817 8.473 1.00 0.13 H new ATOM 0 HB THR A 143 11.037 1.409 9.408 1.00 0.17 H new ATOM 0 HG1 THR A 143 9.772 0.825 11.294 1.00 0.28 H new ATOM 0 HG21 THR A 143 10.842 2.962 11.330 1.00 0.22 H new ATOM 0 HG22 THR A 143 10.951 3.840 9.786 1.00 0.22 H new ATOM 0 HG23 THR A 143 9.379 3.668 10.602 1.00 0.22 H new ATOM 2122 N LEU A 144 10.077 3.991 6.873 1.00 0.13 N ATOM 2123 CA LEU A 144 11.050 4.749 6.105 1.00 0.12 C ATOM 2124 C LEU A 144 11.921 5.527 7.060 1.00 0.12 C ATOM 2125 O LEU A 144 11.546 6.589 7.544 1.00 0.14 O ATOM 2126 CB LEU A 144 10.350 5.685 5.124 1.00 0.14 C ATOM 2127 CG LEU A 144 11.271 6.487 4.199 1.00 0.12 C ATOM 2128 CD1 LEU A 144 12.156 5.559 3.383 1.00 0.15 C ATOM 2129 CD2 LEU A 144 10.453 7.382 3.282 1.00 0.13 C ATOM 0 H LEU A 144 9.175 4.452 6.992 1.00 0.13 H new ATOM 0 HA LEU A 144 11.669 4.067 5.522 1.00 0.12 H new ATOM 0 HB2 LEU A 144 9.672 5.095 4.508 1.00 0.14 H new ATOM 0 HB3 LEU A 144 9.737 6.385 5.692 1.00 0.14 H new ATOM 0 HG LEU A 144 11.913 7.115 4.817 1.00 0.12 H new ATOM 0 HD11 LEU A 144 12.802 6.150 2.733 1.00 0.15 H new ATOM 0 HD12 LEU A 144 12.769 4.958 4.054 1.00 0.15 H new ATOM 0 HD13 LEU A 144 11.533 4.903 2.775 1.00 0.15 H new ATOM 0 HD21 LEU A 144 11.122 7.945 2.631 1.00 0.13 H new ATOM 0 HD22 LEU A 144 9.787 6.769 2.675 1.00 0.13 H new ATOM 0 HD23 LEU A 144 9.862 8.075 3.882 1.00 0.13 H new ATOM 2141 N LYS A 145 13.080 4.975 7.341 1.00 0.14 N ATOM 2142 CA LYS A 145 13.921 5.491 8.399 1.00 0.17 C ATOM 2143 C LYS A 145 14.935 6.470 7.846 1.00 0.16 C ATOM 2144 O LYS A 145 15.358 7.396 8.530 1.00 0.21 O ATOM 2145 CB LYS A 145 14.632 4.335 9.091 1.00 0.26 C ATOM 2146 CG LYS A 145 13.716 3.159 9.365 1.00 0.40 C ATOM 2147 CD LYS A 145 14.460 2.004 10.005 1.00 0.60 C ATOM 2148 CE LYS A 145 15.514 1.446 9.069 1.00 0.38 C ATOM 2149 NZ LYS A 145 16.471 0.555 9.779 1.00 1.08 N ATOM 0 H LYS A 145 13.463 4.167 6.851 1.00 0.14 H new ATOM 0 HA LYS A 145 13.297 6.018 9.121 1.00 0.17 H new ATOM 0 HB2 LYS A 145 15.465 4.004 8.471 1.00 0.26 H new ATOM 0 HB3 LYS A 145 15.055 4.686 10.032 1.00 0.26 H new ATOM 0 HG2 LYS A 145 12.904 3.476 10.019 1.00 0.40 H new ATOM 0 HG3 LYS A 145 13.262 2.826 8.431 1.00 0.40 H new ATOM 0 HD2 LYS A 145 14.931 2.339 10.929 1.00 0.60 H new ATOM 0 HD3 LYS A 145 13.755 1.217 10.273 1.00 0.60 H new ATOM 0 HE2 LYS A 145 15.029 0.891 8.266 1.00 0.38 H new ATOM 0 HE3 LYS A 145 16.059 2.268 8.605 1.00 0.38 H new ATOM 0 HZ1 LYS A 145 17.356 0.494 9.237 1.00 1.08 H new ATOM 0 HZ2 LYS A 145 16.670 0.942 10.724 1.00 1.08 H new ATOM 0 HZ3 LYS A 145 16.057 -0.394 9.874 1.00 1.08 H new ATOM 2163 N THR A 146 15.335 6.258 6.602 1.00 0.16 N ATOM 2164 CA THR A 146 16.339 7.100 5.993 1.00 0.19 C ATOM 2165 C THR A 146 16.162 7.190 4.482 1.00 0.17 C ATOM 2166 O THR A 146 15.728 6.237 3.834 1.00 0.16 O ATOM 2167 CB THR A 146 17.755 6.566 6.291 1.00 0.25 C ATOM 2168 OG1 THR A 146 17.875 6.242 7.682 1.00 0.25 O ATOM 2169 CG2 THR A 146 18.820 7.587 5.921 1.00 0.37 C ATOM 0 H THR A 146 14.979 5.514 6.002 1.00 0.16 H new ATOM 0 HA THR A 146 16.217 8.094 6.424 1.00 0.19 H new ATOM 0 HB THR A 146 17.907 5.671 5.687 1.00 0.25 H new ATOM 0 HG1 THR A 146 18.776 5.902 7.862 1.00 0.25 H new ATOM 0 HG21 THR A 146 19.807 7.180 6.143 1.00 0.37 H new ATOM 0 HG22 THR A 146 18.752 7.814 4.857 1.00 0.37 H new ATOM 0 HG23 THR A 146 18.665 8.499 6.497 1.00 0.37 H new ATOM 2177 N ALA A 147 16.488 8.351 3.941 1.00 0.20 N ATOM 2178 CA ALA A 147 16.559 8.544 2.507 1.00 0.19 C ATOM 2179 C ALA A 147 17.817 9.335 2.189 1.00 0.22 C ATOM 2180 O ALA A 147 18.049 10.391 2.779 1.00 0.25 O ATOM 2181 CB ALA A 147 15.318 9.276 2.012 1.00 0.21 C ATOM 0 H ALA A 147 16.710 9.185 4.485 1.00 0.20 H new ATOM 0 HA ALA A 147 16.599 7.580 2.001 1.00 0.19 H new ATOM 0 HB1 ALA A 147 15.384 9.415 0.933 1.00 0.21 H new ATOM 0 HB2 ALA A 147 14.431 8.689 2.249 1.00 0.21 H new ATOM 0 HB3 ALA A 147 15.251 10.249 2.499 1.00 0.21 H new ATOM 2187 N VAL A 148 18.634 8.831 1.279 1.00 0.24 N ATOM 2188 CA VAL A 148 19.868 9.515 0.925 1.00 0.31 C ATOM 2189 C VAL A 148 20.065 9.546 -0.586 1.00 0.34 C ATOM 2190 O VAL A 148 20.033 8.513 -1.254 1.00 0.36 O ATOM 2191 CB VAL A 148 21.106 8.892 1.621 1.00 0.42 C ATOM 2192 CG1 VAL A 148 21.208 9.381 3.058 1.00 0.92 C ATOM 2193 CG2 VAL A 148 21.049 7.372 1.599 1.00 0.75 C ATOM 0 H VAL A 148 18.468 7.959 0.776 1.00 0.24 H new ATOM 0 HA VAL A 148 19.773 10.539 1.285 1.00 0.31 H new ATOM 0 HB VAL A 148 21.990 9.209 1.068 1.00 0.42 H new ATOM 0 HG11 VAL A 148 22.082 8.935 3.533 1.00 0.92 H new ATOM 0 HG12 VAL A 148 21.305 10.467 3.067 1.00 0.92 H new ATOM 0 HG13 VAL A 148 20.311 9.092 3.605 1.00 0.92 H new ATOM 0 HG21 VAL A 148 21.931 6.968 2.095 1.00 0.75 H new ATOM 0 HG22 VAL A 148 20.153 7.034 2.120 1.00 0.75 H new ATOM 0 HG23 VAL A 148 21.021 7.024 0.566 1.00 0.75 H new ATOM 2203 N ASP A 149 20.250 10.743 -1.117 1.00 0.44 N ATOM 2204 CA ASP A 149 20.417 10.930 -2.549 1.00 0.52 C ATOM 2205 C ASP A 149 21.730 10.323 -3.006 1.00 0.66 C ATOM 2206 O ASP A 149 22.798 10.680 -2.506 1.00 0.79 O ATOM 2207 CB ASP A 149 20.354 12.415 -2.906 1.00 0.68 C ATOM 2208 CG ASP A 149 20.813 12.694 -4.325 1.00 1.41 C ATOM 2209 OD1 ASP A 149 20.401 11.957 -5.249 1.00 2.27 O ATOM 2210 OD2 ASP A 149 21.598 13.646 -4.521 1.00 1.61 O ATOM 0 H ASP A 149 20.289 11.605 -0.574 1.00 0.44 H new ATOM 0 HA ASP A 149 19.603 10.422 -3.066 1.00 0.52 H new ATOM 0 HB2 ASP A 149 19.331 12.772 -2.782 1.00 0.68 H new ATOM 0 HB3 ASP A 149 20.975 12.979 -2.210 1.00 0.68 H new ATOM 2215 N LEU A 150 21.646 9.381 -3.935 1.00 0.68 N ATOM 2216 CA LEU A 150 22.828 8.667 -4.384 1.00 0.89 C ATOM 2217 C LEU A 150 22.723 8.294 -5.861 1.00 0.96 C ATOM 2218 O LEU A 150 23.527 7.512 -6.372 1.00 1.38 O ATOM 2219 CB LEU A 150 23.023 7.409 -3.531 1.00 1.00 C ATOM 2220 CG LEU A 150 24.457 6.882 -3.467 1.00 1.09 C ATOM 2221 CD1 LEU A 150 25.358 7.906 -2.793 1.00 1.81 C ATOM 2222 CD2 LEU A 150 24.505 5.556 -2.725 1.00 1.97 C ATOM 0 H LEU A 150 20.778 9.096 -4.388 1.00 0.68 H new ATOM 0 HA LEU A 150 23.691 9.322 -4.268 1.00 0.89 H new ATOM 0 HB2 LEU A 150 22.685 7.621 -2.517 1.00 1.00 H new ATOM 0 HB3 LEU A 150 22.380 6.621 -3.923 1.00 1.00 H new ATOM 0 HG LEU A 150 24.816 6.716 -4.483 1.00 1.09 H new ATOM 0 HD11 LEU A 150 26.377 7.522 -2.752 1.00 1.81 H new ATOM 0 HD12 LEU A 150 25.343 8.835 -3.363 1.00 1.81 H new ATOM 0 HD13 LEU A 150 25.000 8.095 -1.781 1.00 1.81 H new ATOM 0 HD21 LEU A 150 25.533 5.196 -2.689 1.00 1.97 H new ATOM 0 HD22 LEU A 150 24.133 5.694 -1.710 1.00 1.97 H new ATOM 0 HD23 LEU A 150 23.883 4.826 -3.243 1.00 1.97 H new ATOM 2234 N GLU A 151 21.753 8.869 -6.557 1.00 0.72 N ATOM 2235 CA GLU A 151 21.585 8.563 -7.969 1.00 0.79 C ATOM 2236 C GLU A 151 22.493 9.451 -8.805 1.00 1.44 C ATOM 2237 O GLU A 151 23.093 10.404 -8.300 1.00 2.14 O ATOM 2238 CB GLU A 151 20.126 8.681 -8.418 1.00 0.57 C ATOM 2239 CG GLU A 151 19.588 7.390 -9.038 1.00 0.60 C ATOM 2240 CD GLU A 151 20.317 7.009 -10.316 1.00 0.92 C ATOM 2241 OE1 GLU A 151 21.383 6.373 -10.232 1.00 1.32 O ATOM 2242 OE2 GLU A 151 19.804 7.322 -11.418 1.00 1.57 O ATOM 0 H GLU A 151 21.083 9.537 -6.176 1.00 0.72 H new ATOM 0 HA GLU A 151 21.872 7.523 -8.121 1.00 0.79 H new ATOM 0 HB2 GLU A 151 19.508 8.952 -7.562 1.00 0.57 H new ATOM 0 HB3 GLU A 151 20.038 9.490 -9.143 1.00 0.57 H new ATOM 0 HG2 GLU A 151 19.679 6.579 -8.316 1.00 0.60 H new ATOM 0 HG3 GLU A 151 18.526 7.509 -9.251 1.00 0.60 H new ATOM 2249 N HIS A 152 22.587 9.133 -10.083 1.00 2.00 N ATOM 2250 CA HIS A 152 23.610 9.703 -10.940 1.00 2.74 C ATOM 2251 C HIS A 152 23.024 10.704 -11.920 1.00 3.34 C ATOM 2252 O HIS A 152 21.821 10.966 -11.919 1.00 4.01 O ATOM 2253 CB HIS A 152 24.314 8.574 -11.705 1.00 3.58 C ATOM 2254 CG HIS A 152 24.910 7.531 -10.815 1.00 4.23 C ATOM 2255 ND1 HIS A 152 24.153 6.584 -10.156 1.00 4.97 N ATOM 2256 CD2 HIS A 152 26.193 7.296 -10.460 1.00 4.78 C ATOM 2257 CE1 HIS A 152 24.947 5.818 -9.434 1.00 5.79 C ATOM 2258 NE2 HIS A 152 26.188 6.227 -9.601 1.00 5.71 N ATOM 0 H HIS A 152 21.962 8.478 -10.553 1.00 2.00 H new ATOM 0 HA HIS A 152 24.326 10.235 -10.313 1.00 2.74 H new ATOM 0 HB2 HIS A 152 23.599 8.101 -12.378 1.00 3.58 H new ATOM 0 HB3 HIS A 152 25.100 9.002 -12.326 1.00 3.58 H new ATOM 0 HD1 HIS A 152 23.139 6.491 -10.218 1.00 4.97 H new ATOM 0 HD2 HIS A 152 27.061 7.847 -10.791 1.00 4.78 H new ATOM 0 HE1 HIS A 152 24.633 4.994 -8.811 1.00 5.79 H new ATOM 2267 N HIS A 153 23.886 11.269 -12.749 1.00 3.70 N ATOM 2268 CA HIS A 153 23.447 12.148 -13.824 1.00 4.77 C ATOM 2269 C HIS A 153 23.324 11.364 -15.123 1.00 5.09 C ATOM 2270 O HIS A 153 23.145 11.930 -16.199 1.00 5.37 O ATOM 2271 CB HIS A 153 24.387 13.351 -13.986 1.00 5.63 C ATOM 2272 CG HIS A 153 25.852 13.035 -13.889 1.00 6.19 C ATOM 2273 ND1 HIS A 153 26.532 13.011 -12.691 1.00 6.78 N ATOM 2274 CD2 HIS A 153 26.770 12.749 -14.843 1.00 6.64 C ATOM 2275 CE1 HIS A 153 27.804 12.735 -12.911 1.00 7.48 C ATOM 2276 NE2 HIS A 153 27.978 12.570 -14.209 1.00 7.41 N ATOM 0 H HIS A 153 24.896 11.135 -12.699 1.00 3.70 H new ATOM 0 HA HIS A 153 22.465 12.543 -13.564 1.00 4.77 H new ATOM 0 HB2 HIS A 153 24.195 13.814 -14.954 1.00 5.63 H new ATOM 0 HB3 HIS A 153 24.140 14.090 -13.224 1.00 5.63 H new ATOM 0 HD2 HIS A 153 26.588 12.675 -15.905 1.00 6.64 H new ATOM 0 HE1 HIS A 153 28.573 12.657 -12.156 1.00 7.48 H new ATOM 0 HE2 HIS A 153 28.862 12.347 -14.666 1.00 7.41 H new ATOM 2285 N HIS A 154 23.425 10.053 -15.003 1.00 5.42 N ATOM 2286 CA HIS A 154 23.178 9.160 -16.118 1.00 6.05 C ATOM 2287 C HIS A 154 22.323 7.997 -15.632 1.00 6.57 C ATOM 2288 O HIS A 154 22.832 7.046 -15.037 1.00 7.00 O ATOM 2289 CB HIS A 154 24.492 8.652 -16.726 1.00 6.58 C ATOM 2290 CG HIS A 154 24.321 8.019 -18.076 1.00 7.19 C ATOM 2291 ND1 HIS A 154 24.966 6.865 -18.464 1.00 7.60 N ATOM 2292 CD2 HIS A 154 23.591 8.415 -19.146 1.00 7.78 C ATOM 2293 CE1 HIS A 154 24.635 6.578 -19.712 1.00 8.35 C ATOM 2294 NE2 HIS A 154 23.803 7.504 -20.151 1.00 8.46 N ATOM 0 H HIS A 154 23.679 9.580 -14.135 1.00 5.42 H new ATOM 0 HA HIS A 154 22.650 9.703 -16.902 1.00 6.05 H new ATOM 0 HB2 HIS A 154 25.190 9.485 -16.810 1.00 6.58 H new ATOM 0 HB3 HIS A 154 24.941 7.927 -16.047 1.00 6.58 H new ATOM 0 HD2 HIS A 154 22.958 9.288 -19.199 1.00 7.78 H new ATOM 0 HE1 HIS A 154 24.987 5.728 -20.278 1.00 8.35 H new ATOM 0 HE2 HIS A 154 23.387 7.537 -21.082 1.00 8.46 H new ATOM 2303 N HIS A 155 21.017 8.112 -15.845 1.00 6.86 N ATOM 2304 CA HIS A 155 20.055 7.123 -15.358 1.00 7.69 C ATOM 2305 C HIS A 155 20.295 5.747 -15.972 1.00 8.40 C ATOM 2306 O HIS A 155 20.757 5.633 -17.108 1.00 8.69 O ATOM 2307 CB HIS A 155 18.610 7.580 -15.631 1.00 7.95 C ATOM 2308 CG HIS A 155 18.228 7.635 -17.083 1.00 8.17 C ATOM 2309 ND1 HIS A 155 16.982 7.282 -17.542 1.00 8.40 N ATOM 2310 CD2 HIS A 155 18.931 8.012 -18.178 1.00 8.48 C ATOM 2311 CE1 HIS A 155 16.933 7.437 -18.848 1.00 8.78 C ATOM 2312 NE2 HIS A 155 18.104 7.881 -19.263 1.00 8.83 N ATOM 0 H HIS A 155 20.595 8.887 -16.356 1.00 6.86 H new ATOM 0 HA HIS A 155 20.201 7.039 -14.281 1.00 7.69 H new ATOM 0 HB2 HIS A 155 17.927 6.904 -15.116 1.00 7.95 H new ATOM 0 HB3 HIS A 155 18.469 8.569 -15.195 1.00 7.95 H new ATOM 0 HD1 HIS A 155 16.213 6.951 -16.960 1.00 8.40 H new ATOM 0 HD2 HIS A 155 19.956 8.353 -18.193 1.00 8.48 H new ATOM 0 HE1 HIS A 155 16.077 7.235 -19.475 1.00 8.78 H new ATOM 2321 N HIS A 156 19.975 4.713 -15.206 1.00 8.92 N ATOM 2322 CA HIS A 156 20.135 3.337 -15.663 1.00 9.83 C ATOM 2323 C HIS A 156 18.840 2.844 -16.294 1.00 10.27 C ATOM 2324 O HIS A 156 18.849 2.033 -17.216 1.00 10.47 O ATOM 2325 CB HIS A 156 20.506 2.413 -14.495 1.00 10.32 C ATOM 2326 CG HIS A 156 21.691 2.858 -13.693 1.00 10.97 C ATOM 2327 ND1 HIS A 156 22.946 2.313 -13.834 1.00 11.47 N ATOM 2328 CD2 HIS A 156 21.791 3.775 -12.706 1.00 11.42 C ATOM 2329 CE1 HIS A 156 23.765 2.875 -12.968 1.00 12.17 C ATOM 2330 NE2 HIS A 156 23.090 3.769 -12.265 1.00 12.15 N ATOM 0 H HIS A 156 19.601 4.801 -14.261 1.00 8.92 H new ATOM 0 HA HIS A 156 20.938 3.317 -16.400 1.00 9.83 H new ATOM 0 HB2 HIS A 156 19.646 2.328 -13.830 1.00 10.32 H new ATOM 0 HB3 HIS A 156 20.705 1.416 -14.888 1.00 10.32 H new ATOM 0 HD2 HIS A 156 20.993 4.399 -12.332 1.00 11.42 H new ATOM 0 HE1 HIS A 156 24.814 2.644 -12.852 1.00 12.17 H new ATOM 0 HE2 HIS A 156 23.471 4.354 -11.521 1.00 12.15 H new ATOM 2339 N HIS A 157 17.731 3.342 -15.772 1.00 10.63 N ATOM 2340 CA HIS A 157 16.410 2.970 -16.248 1.00 11.28 C ATOM 2341 C HIS A 157 15.564 4.221 -16.420 1.00 11.64 C ATOM 2342 O HIS A 157 14.976 4.673 -15.420 1.00 11.96 O ATOM 2343 CB HIS A 157 15.731 2.008 -15.263 1.00 11.62 C ATOM 2344 CG HIS A 157 16.365 0.651 -15.199 1.00 12.24 C ATOM 2345 ND1 HIS A 157 16.921 0.122 -14.051 1.00 12.87 N ATOM 2346 CD2 HIS A 157 16.514 -0.299 -16.155 1.00 12.51 C ATOM 2347 CE1 HIS A 157 17.385 -1.087 -14.307 1.00 13.46 C ATOM 2348 NE2 HIS A 157 17.149 -1.364 -15.573 1.00 13.27 N ATOM 2349 OXT HIS A 157 15.529 4.769 -17.536 1.00 11.78 O ATOM 0 H HIS A 157 17.722 4.016 -15.006 1.00 10.63 H new ATOM 0 HA HIS A 157 16.510 2.463 -17.208 1.00 11.28 H new ATOM 0 HB2 HIS A 157 15.747 2.452 -14.268 1.00 11.62 H new ATOM 0 HB3 HIS A 157 14.684 1.895 -15.545 1.00 11.62 H new ATOM 0 HD1 HIS A 157 16.966 0.592 -13.147 1.00 12.87 H new ATOM 0 HD2 HIS A 157 16.192 -0.229 -17.184 1.00 12.51 H new ATOM 0 HE1 HIS A 157 17.875 -1.739 -13.599 1.00 13.46 H new TER 2358 HIS A 157