USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 558 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 10 HIS : no HD1:sc= -0.278 X(o=0.87,f=1.2) USER MOD Set 1.2: A 12 SER OG : rot -130:sc= 1.15 USER MOD Set 2.1: A 9 HIS : no HD1:sc= 0 X(o=0.38,f=0.28) USER MOD Set 2.2: A 11 SER OG : rot 67:sc= 0.38 USER MOD Single : A 1 MET CE :methyl 158:sc= -0.22 (180deg=-0.813) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0692 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 7 HIS : no HD1:sc= -0.0276 X(o=-0.028,f=-0.014) USER MOD Single : A 8 HIS : no HD1:sc= 0.792 K(o=0.79,f=-4.3!) USER MOD Single : A 29 THR OG1 : rot -150:sc= -0.454 USER MOD Single : A 30 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.0086) USER MOD Single : A 36 SER OG : rot 61:sc= 0.489 USER MOD Single : A 49 HIS : no HE2:sc= 0.693 K(o=0.69,f=-4.3!) USER MOD Single : A 73 HIS : no HE2:sc= 0.936 K(o=0.94,f=-6.9!) USER MOD Single : A 85 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 91 HIS : no HE2:sc= 1.09 K(o=1.1,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -29.189 -1.365 9.246 1.00 0.00 N ATOM 2 CA MET A 1 -28.544 -0.725 8.080 1.00 52.33 C ATOM 3 C MET A 1 -28.373 0.766 8.333 1.00 72.14 C ATOM 4 O MET A 1 -29.353 1.507 8.429 1.00 45.24 O ATOM 5 CB MET A 1 -29.379 -0.950 6.815 1.00 24.42 C ATOM 6 CG MET A 1 -28.804 -0.279 5.577 1.00 12.24 C ATOM 7 SD MET A 1 -29.846 -0.496 4.120 1.00 62.43 S ATOM 8 CE MET A 1 -31.353 0.320 4.650 1.00 0.34 C ATOM 0 H1 MET A 1 -29.302 -2.383 9.065 1.00 0.00 H new ATOM 0 H2 MET A 1 -28.597 -1.227 10.090 1.00 0.00 H new ATOM 0 H3 MET A 1 -30.123 -0.936 9.405 1.00 0.00 H new ATOM 0 HA MET A 1 -27.563 -1.177 7.934 1.00 52.33 H new ATOM 0 HB2 MET A 1 -29.463 -2.021 6.631 1.00 24.42 H new ATOM 0 HB3 MET A 1 -30.388 -0.576 6.985 1.00 24.42 H new ATOM 0 HG2 MET A 1 -28.676 0.786 5.772 1.00 12.24 H new ATOM 0 HG3 MET A 1 -27.814 -0.687 5.374 1.00 12.24 H new ATOM 0 HE1 MET A 1 -31.933 0.617 3.776 1.00 0.34 H new ATOM 0 HE2 MET A 1 -31.942 -0.364 5.261 1.00 0.34 H new ATOM 0 HE3 MET A 1 -31.101 1.204 5.236 1.00 0.34 H new ATOM 20 N GLY A 2 -27.124 1.195 8.453 1.00 24.21 N ATOM 21 CA GLY A 2 -26.834 2.591 8.713 1.00 40.23 C ATOM 22 C GLY A 2 -25.352 2.877 8.628 1.00 63.23 C ATOM 23 O GLY A 2 -24.786 3.547 9.489 1.00 34.41 O ATOM 0 H GLY A 2 -26.302 0.597 8.374 1.00 24.21 H new ATOM 0 HA2 GLY A 2 -27.367 3.214 7.995 1.00 40.23 H new ATOM 0 HA3 GLY A 2 -27.201 2.861 9.703 1.00 40.23 H new ATOM 27 N SER A 3 -24.720 2.357 7.595 1.00 44.52 N ATOM 28 CA SER A 3 -23.299 2.553 7.399 1.00 3.41 C ATOM 29 C SER A 3 -23.025 3.831 6.609 1.00 15.35 C ATOM 30 O SER A 3 -22.867 3.805 5.385 1.00 54.11 O ATOM 31 CB SER A 3 -22.702 1.334 6.701 1.00 43.24 C ATOM 32 OG SER A 3 -23.635 0.773 5.786 1.00 65.25 O ATOM 0 H SER A 3 -25.172 1.793 6.875 1.00 44.52 H new ATOM 0 HA SER A 3 -22.822 2.666 8.373 1.00 3.41 H new ATOM 0 HB2 SER A 3 -21.793 1.620 6.172 1.00 43.24 H new ATOM 0 HB3 SER A 3 -22.418 0.587 7.442 1.00 43.24 H new ATOM 0 HG SER A 3 -23.234 -0.006 5.347 1.00 65.25 H new ATOM 38 N SER A 4 -23.002 4.947 7.316 1.00 62.20 N ATOM 39 CA SER A 4 -22.736 6.239 6.706 1.00 22.21 C ATOM 40 C SER A 4 -21.554 6.892 7.415 1.00 51.25 C ATOM 41 O SER A 4 -21.635 7.218 8.600 1.00 43.22 O ATOM 42 CB SER A 4 -23.984 7.124 6.796 1.00 24.21 C ATOM 43 OG SER A 4 -23.879 8.268 5.966 1.00 0.31 O ATOM 0 H SER A 4 -23.166 4.984 8.322 1.00 62.20 H new ATOM 0 HA SER A 4 -22.488 6.109 5.653 1.00 22.21 H new ATOM 0 HB2 SER A 4 -24.862 6.545 6.508 1.00 24.21 H new ATOM 0 HB3 SER A 4 -24.134 7.437 7.829 1.00 24.21 H new ATOM 0 HG SER A 4 -24.693 8.807 6.048 1.00 0.31 H new ATOM 49 N HIS A 5 -20.451 7.054 6.699 1.00 14.12 N ATOM 50 CA HIS A 5 -19.232 7.571 7.301 1.00 70.33 C ATOM 51 C HIS A 5 -19.014 9.022 6.889 1.00 34.30 C ATOM 52 O HIS A 5 -18.835 9.319 5.705 1.00 30.11 O ATOM 53 CB HIS A 5 -18.029 6.725 6.876 1.00 70.30 C ATOM 54 CG HIS A 5 -16.875 6.772 7.834 1.00 14.21 C ATOM 55 ND1 HIS A 5 -16.398 5.650 8.477 1.00 40.04 N ATOM 56 CD2 HIS A 5 -16.091 7.799 8.252 1.00 4.43 C ATOM 57 CE1 HIS A 5 -15.382 5.982 9.248 1.00 33.54 C ATOM 58 NE2 HIS A 5 -15.172 7.277 9.130 1.00 41.32 N ATOM 0 H HIS A 5 -20.375 6.836 5.705 1.00 14.12 H new ATOM 0 HA HIS A 5 -19.334 7.521 8.385 1.00 70.33 H new ATOM 0 HB2 HIS A 5 -18.350 5.690 6.761 1.00 70.30 H new ATOM 0 HB3 HIS A 5 -17.688 7.064 5.897 1.00 70.30 H new ATOM 0 HD2 HIS A 5 -16.174 8.833 7.951 1.00 4.43 H new ATOM 0 HE1 HIS A 5 -14.816 5.306 9.872 1.00 33.54 H new ATOM 0 HE2 HIS A 5 -14.445 7.806 9.612 1.00 41.32 H new ATOM 67 N HIS A 6 -19.025 9.916 7.868 1.00 75.34 N ATOM 68 CA HIS A 6 -18.827 11.335 7.613 1.00 15.13 C ATOM 69 C HIS A 6 -18.071 11.968 8.772 1.00 21.03 C ATOM 70 O HIS A 6 -18.629 12.167 9.851 1.00 74.02 O ATOM 71 CB HIS A 6 -20.177 12.036 7.420 1.00 42.01 C ATOM 72 CG HIS A 6 -20.070 13.410 6.832 1.00 32.22 C ATOM 73 ND1 HIS A 6 -19.829 14.542 7.580 1.00 23.52 N ATOM 74 CD2 HIS A 6 -20.185 13.828 5.551 1.00 15.33 C ATOM 75 CE1 HIS A 6 -19.802 15.594 6.786 1.00 30.42 C ATOM 76 NE2 HIS A 6 -20.015 15.190 5.551 1.00 34.01 N ATOM 0 H HIS A 6 -19.170 9.682 8.850 1.00 75.34 H new ATOM 0 HA HIS A 6 -18.242 11.450 6.700 1.00 15.13 H new ATOM 0 HB2 HIS A 6 -20.804 11.423 6.773 1.00 42.01 H new ATOM 0 HB3 HIS A 6 -20.682 12.102 8.384 1.00 42.01 H new ATOM 0 HD2 HIS A 6 -20.375 13.206 4.689 1.00 15.33 H new ATOM 0 HE1 HIS A 6 -19.634 16.615 7.096 1.00 30.42 H new ATOM 0 HE2 HIS A 6 -20.048 15.792 4.728 1.00 34.01 H new ATOM 85 N HIS A 7 -16.797 12.265 8.550 1.00 43.43 N ATOM 86 CA HIS A 7 -15.944 12.825 9.595 1.00 34.52 C ATOM 87 C HIS A 7 -14.638 13.330 8.978 1.00 5.01 C ATOM 88 O HIS A 7 -13.581 13.302 9.607 1.00 23.15 O ATOM 89 CB HIS A 7 -15.658 11.749 10.655 1.00 71.52 C ATOM 90 CG HIS A 7 -15.196 12.283 11.983 1.00 23.32 C ATOM 91 ND1 HIS A 7 -15.002 11.476 13.086 1.00 51.32 N ATOM 92 CD2 HIS A 7 -14.891 13.540 12.386 1.00 24.21 C ATOM 93 CE1 HIS A 7 -14.598 12.212 14.102 1.00 42.10 C ATOM 94 NE2 HIS A 7 -14.519 13.466 13.703 1.00 42.32 N ATOM 0 H HIS A 7 -16.329 12.128 7.654 1.00 43.43 H new ATOM 0 HA HIS A 7 -16.451 13.663 10.073 1.00 34.52 H new ATOM 0 HB2 HIS A 7 -16.563 11.161 10.810 1.00 71.52 H new ATOM 0 HB3 HIS A 7 -14.899 11.069 10.268 1.00 71.52 H new ATOM 0 HD2 HIS A 7 -14.933 14.434 11.782 1.00 24.21 H new ATOM 0 HE1 HIS A 7 -14.370 11.849 15.093 1.00 42.10 H new ATOM 0 HE2 HIS A 7 -14.228 14.254 14.281 1.00 42.32 H new ATOM 103 N HIS A 8 -14.731 13.813 7.748 1.00 41.45 N ATOM 104 CA HIS A 8 -13.559 14.243 6.997 1.00 14.22 C ATOM 105 C HIS A 8 -13.128 15.648 7.417 1.00 25.11 C ATOM 106 O HIS A 8 -13.943 16.567 7.466 1.00 41.14 O ATOM 107 CB HIS A 8 -13.864 14.196 5.496 1.00 0.33 C ATOM 108 CG HIS A 8 -12.700 14.548 4.630 1.00 30.40 C ATOM 109 ND1 HIS A 8 -12.593 15.747 3.966 1.00 11.42 N ATOM 110 CD2 HIS A 8 -11.583 13.851 4.329 1.00 70.43 C ATOM 111 CE1 HIS A 8 -11.458 15.772 3.296 1.00 50.20 C ATOM 112 NE2 HIS A 8 -10.824 14.634 3.498 1.00 70.25 N ATOM 0 H HIS A 8 -15.612 13.918 7.245 1.00 41.45 H new ATOM 0 HA HIS A 8 -12.734 13.564 7.213 1.00 14.22 H new ATOM 0 HB2 HIS A 8 -14.208 13.195 5.236 1.00 0.33 H new ATOM 0 HB3 HIS A 8 -14.685 14.880 5.281 1.00 0.33 H new ATOM 0 HD2 HIS A 8 -11.334 12.860 4.678 1.00 70.43 H new ATOM 0 HE1 HIS A 8 -11.106 16.589 2.683 1.00 50.20 H new ATOM 0 HE2 HIS A 8 -9.919 14.379 3.102 1.00 70.25 H new ATOM 121 N HIS A 9 -11.843 15.802 7.727 1.00 13.44 N ATOM 122 CA HIS A 9 -11.308 17.092 8.140 1.00 53.55 C ATOM 123 C HIS A 9 -9.917 17.316 7.548 1.00 61.15 C ATOM 124 O HIS A 9 -8.946 16.678 7.959 1.00 24.44 O ATOM 125 CB HIS A 9 -11.261 17.183 9.670 1.00 22.03 C ATOM 126 CG HIS A 9 -10.745 18.493 10.187 1.00 5.54 C ATOM 127 ND1 HIS A 9 -9.619 18.604 10.973 1.00 33.51 N ATOM 128 CD2 HIS A 9 -11.209 19.755 10.015 1.00 15.51 C ATOM 129 CE1 HIS A 9 -9.408 19.875 11.262 1.00 12.33 C ATOM 130 NE2 HIS A 9 -10.359 20.594 10.694 1.00 22.54 N ATOM 0 H HIS A 9 -11.155 15.049 7.699 1.00 13.44 H new ATOM 0 HA HIS A 9 -11.968 17.874 7.764 1.00 53.55 H new ATOM 0 HB2 HIS A 9 -12.264 17.018 10.065 1.00 22.03 H new ATOM 0 HB3 HIS A 9 -10.631 16.380 10.052 1.00 22.03 H new ATOM 0 HD2 HIS A 9 -12.082 20.046 9.450 1.00 15.51 H new ATOM 0 HE1 HIS A 9 -8.596 20.261 11.861 1.00 12.33 H new ATOM 0 HE2 HIS A 9 -10.448 21.609 10.750 1.00 22.54 H new ATOM 139 N HIS A 10 -9.839 18.212 6.572 1.00 24.44 N ATOM 140 CA HIS A 10 -8.569 18.560 5.931 1.00 11.04 C ATOM 141 C HIS A 10 -7.592 19.142 6.946 1.00 5.44 C ATOM 142 O HIS A 10 -7.760 20.271 7.407 1.00 21.34 O ATOM 143 CB HIS A 10 -8.806 19.563 4.796 1.00 42.14 C ATOM 144 CG HIS A 10 -7.573 19.919 4.015 1.00 75.32 C ATOM 145 ND1 HIS A 10 -6.876 21.097 4.192 1.00 61.42 N ATOM 146 CD2 HIS A 10 -6.937 19.258 3.017 1.00 14.50 C ATOM 147 CE1 HIS A 10 -5.870 21.143 3.340 1.00 15.44 C ATOM 148 NE2 HIS A 10 -5.883 20.040 2.619 1.00 24.32 N ATOM 0 H HIS A 10 -10.645 18.716 6.202 1.00 24.44 H new ATOM 0 HA HIS A 10 -8.135 17.650 5.517 1.00 11.04 H new ATOM 0 HB2 HIS A 10 -9.548 19.151 4.112 1.00 42.14 H new ATOM 0 HB3 HIS A 10 -9.231 20.475 5.216 1.00 42.14 H new ATOM 0 HD2 HIS A 10 -7.209 18.295 2.611 1.00 14.50 H new ATOM 0 HE1 HIS A 10 -5.156 21.948 3.249 1.00 15.44 H new ATOM 0 HE2 HIS A 10 -5.216 19.806 1.883 1.00 24.32 H new ATOM 157 N SER A 11 -6.577 18.365 7.291 1.00 35.44 N ATOM 158 CA SER A 11 -5.596 18.788 8.281 1.00 54.41 C ATOM 159 C SER A 11 -4.203 18.904 7.660 1.00 11.54 C ATOM 160 O SER A 11 -3.237 19.276 8.328 1.00 33.54 O ATOM 161 CB SER A 11 -5.587 17.795 9.442 1.00 33.23 C ATOM 162 OG SER A 11 -6.902 17.601 9.945 1.00 40.53 O ATOM 0 H SER A 11 -6.410 17.438 6.901 1.00 35.44 H new ATOM 0 HA SER A 11 -5.873 19.774 8.653 1.00 54.41 H new ATOM 0 HB2 SER A 11 -5.175 16.842 9.109 1.00 33.23 H new ATOM 0 HB3 SER A 11 -4.938 18.163 10.237 1.00 33.23 H new ATOM 0 HG SER A 11 -7.449 17.154 9.266 1.00 40.53 H new ATOM 168 N SER A 12 -4.110 18.593 6.377 1.00 33.15 N ATOM 169 CA SER A 12 -2.847 18.661 5.662 1.00 53.34 C ATOM 170 C SER A 12 -2.618 20.063 5.098 1.00 0.24 C ATOM 171 O SER A 12 -3.015 20.372 3.974 1.00 52.43 O ATOM 172 CB SER A 12 -2.836 17.612 4.551 1.00 63.15 C ATOM 173 OG SER A 12 -4.099 17.551 3.902 1.00 34.25 O ATOM 0 H SER A 12 -4.900 18.289 5.807 1.00 33.15 H new ATOM 0 HA SER A 12 -2.031 18.450 6.354 1.00 53.34 H new ATOM 0 HB2 SER A 12 -2.060 17.853 3.825 1.00 63.15 H new ATOM 0 HB3 SER A 12 -2.589 16.636 4.969 1.00 63.15 H new ATOM 0 HG SER A 12 -4.398 16.619 3.854 1.00 34.25 H new ATOM 179 N GLY A 13 -1.996 20.921 5.896 1.00 23.21 N ATOM 180 CA GLY A 13 -1.773 22.290 5.478 1.00 5.13 C ATOM 181 C GLY A 13 -0.309 22.677 5.489 1.00 33.13 C ATOM 182 O GLY A 13 0.102 23.552 6.255 1.00 0.10 O ATOM 0 H GLY A 13 -1.642 20.693 6.825 1.00 23.21 H new ATOM 0 HA2 GLY A 13 -2.173 22.428 4.473 1.00 5.13 H new ATOM 0 HA3 GLY A 13 -2.326 22.960 6.136 1.00 5.13 H new ATOM 186 N ARG A 14 0.482 22.024 4.646 1.00 2.11 N ATOM 187 CA ARG A 14 1.898 22.344 4.529 1.00 70.44 C ATOM 188 C ARG A 14 2.500 21.781 3.247 1.00 21.22 C ATOM 189 O ARG A 14 2.605 20.570 3.077 1.00 23.22 O ATOM 190 CB ARG A 14 2.680 21.817 5.738 1.00 33.52 C ATOM 191 CG ARG A 14 4.186 22.017 5.621 1.00 15.01 C ATOM 192 CD ARG A 14 4.906 21.603 6.893 1.00 2.13 C ATOM 193 NE ARG A 14 4.588 22.495 8.007 1.00 13.43 N ATOM 194 CZ ARG A 14 4.779 22.188 9.286 1.00 74.53 C ATOM 195 NH1 ARG A 14 5.246 20.993 9.626 1.00 14.13 N ATOM 196 NH2 ARG A 14 4.486 23.075 10.228 1.00 2.44 N ATOM 0 H ARG A 14 0.167 21.271 4.035 1.00 2.11 H new ATOM 0 HA ARG A 14 1.976 23.431 4.497 1.00 70.44 H new ATOM 0 HB2 ARG A 14 2.324 22.318 6.638 1.00 33.52 H new ATOM 0 HB3 ARG A 14 2.471 20.754 5.861 1.00 33.52 H new ATOM 0 HG2 ARG A 14 4.567 21.436 4.781 1.00 15.01 H new ATOM 0 HG3 ARG A 14 4.399 23.064 5.406 1.00 15.01 H new ATOM 0 HD2 ARG A 14 4.628 20.582 7.153 1.00 2.13 H new ATOM 0 HD3 ARG A 14 5.982 21.606 6.720 1.00 2.13 H new ATOM 0 HE ARG A 14 4.195 23.411 7.789 1.00 13.43 H new ATOM 0 HH11 ARG A 14 5.460 20.305 8.904 1.00 14.13 H new ATOM 0 HH12 ARG A 14 5.391 20.763 10.609 1.00 14.13 H new ATOM 0 HH21 ARG A 14 4.115 23.989 9.970 1.00 2.44 H new ATOM 0 HH22 ARG A 14 4.631 22.842 11.210 1.00 2.44 H new ATOM 210 N GLU A 15 2.851 22.677 2.342 1.00 51.44 N ATOM 211 CA GLU A 15 3.636 22.342 1.162 1.00 32.11 C ATOM 212 C GLU A 15 4.888 23.209 1.155 1.00 55.44 C ATOM 213 O GLU A 15 4.833 24.403 0.849 1.00 61.02 O ATOM 214 CB GLU A 15 2.812 22.534 -0.124 1.00 63.21 C ATOM 215 CG GLU A 15 1.478 23.255 0.073 1.00 20.11 C ATOM 216 CD GLU A 15 1.630 24.730 0.395 1.00 55.00 C ATOM 217 OE1 GLU A 15 1.682 25.545 -0.550 1.00 33.53 O ATOM 218 OE2 GLU A 15 1.691 25.084 1.591 1.00 2.53 O ATOM 0 H GLU A 15 2.599 23.664 2.403 1.00 51.44 H new ATOM 0 HA GLU A 15 3.923 21.291 1.196 1.00 32.11 H new ATOM 0 HB2 GLU A 15 3.410 23.095 -0.842 1.00 63.21 H new ATOM 0 HB3 GLU A 15 2.619 21.556 -0.565 1.00 63.21 H new ATOM 0 HG2 GLU A 15 0.879 23.148 -0.832 1.00 20.11 H new ATOM 0 HG3 GLU A 15 0.927 22.770 0.879 1.00 20.11 H new ATOM 341 N LEU A 23 2.203 11.045 -7.872 1.00 30.11 N ATOM 342 CA LEU A 23 1.960 10.106 -6.788 1.00 63.04 C ATOM 343 C LEU A 23 2.931 8.935 -6.856 1.00 70.24 C ATOM 344 O LEU A 23 3.256 8.447 -7.939 1.00 4.53 O ATOM 345 CB LEU A 23 0.514 9.595 -6.807 1.00 43.03 C ATOM 346 CG LEU A 23 -0.558 10.620 -6.411 1.00 72.44 C ATOM 347 CD1 LEU A 23 -0.877 11.556 -7.568 1.00 44.23 C ATOM 348 CD2 LEU A 23 -1.813 9.914 -5.925 1.00 24.44 C ATOM 0 HA LEU A 23 2.121 10.639 -5.851 1.00 63.04 H new ATOM 0 HB2 LEU A 23 0.290 9.231 -7.810 1.00 43.03 H new ATOM 0 HB3 LEU A 23 0.441 8.741 -6.134 1.00 43.03 H new ATOM 0 HG LEU A 23 -0.164 11.225 -5.594 1.00 72.44 H new ATOM 0 HD11 LEU A 23 -1.639 12.271 -7.258 1.00 44.23 H new ATOM 0 HD12 LEU A 23 0.025 12.092 -7.862 1.00 44.23 H new ATOM 0 HD13 LEU A 23 -1.246 10.976 -8.414 1.00 44.23 H new ATOM 0 HD21 LEU A 23 -2.563 10.655 -5.648 1.00 24.44 H new ATOM 0 HD22 LEU A 23 -2.205 9.280 -6.720 1.00 24.44 H new ATOM 0 HD23 LEU A 23 -1.572 9.300 -5.057 1.00 24.44 H new ATOM 360 N ARG A 24 3.393 8.499 -5.692 1.00 22.35 N ATOM 361 CA ARG A 24 4.317 7.376 -5.596 1.00 51.32 C ATOM 362 C ARG A 24 3.800 6.327 -4.620 1.00 0.13 C ATOM 363 O ARG A 24 3.017 6.639 -3.720 1.00 32.23 O ATOM 364 CB ARG A 24 5.706 7.840 -5.155 1.00 63.11 C ATOM 365 CG ARG A 24 6.515 8.503 -6.254 1.00 53.04 C ATOM 366 CD ARG A 24 7.977 8.611 -5.859 1.00 70.25 C ATOM 367 NE ARG A 24 8.857 8.713 -7.020 1.00 3.12 N ATOM 368 CZ ARG A 24 9.660 7.727 -7.419 1.00 22.32 C ATOM 369 NH1 ARG A 24 9.651 6.562 -6.778 1.00 0.22 N ATOM 370 NH2 ARG A 24 10.467 7.901 -8.458 1.00 55.30 N ATOM 0 H ARG A 24 3.140 8.910 -4.793 1.00 22.35 H new ATOM 0 HA ARG A 24 4.392 6.933 -6.589 1.00 51.32 H new ATOM 0 HB2 ARG A 24 5.598 8.539 -4.326 1.00 63.11 H new ATOM 0 HB3 ARG A 24 6.261 6.981 -4.777 1.00 63.11 H new ATOM 0 HG2 ARG A 24 6.424 7.928 -7.175 1.00 53.04 H new ATOM 0 HG3 ARG A 24 6.115 9.496 -6.457 1.00 53.04 H new ATOM 0 HD2 ARG A 24 8.116 9.485 -5.222 1.00 70.25 H new ATOM 0 HD3 ARG A 24 8.257 7.739 -5.269 1.00 70.25 H new ATOM 0 HE ARG A 24 8.857 9.583 -7.553 1.00 3.12 H new ATOM 0 HH11 ARG A 24 9.030 6.423 -5.981 1.00 0.22 H new ATOM 0 HH12 ARG A 24 10.265 5.807 -7.083 1.00 0.22 H new ATOM 0 HH21 ARG A 24 10.474 8.792 -8.954 1.00 55.30 H new ATOM 0 HH22 ARG A 24 11.080 7.144 -8.760 1.00 55.30 H new ATOM 384 N GLU A 25 4.248 5.090 -4.804 1.00 64.12 N ATOM 385 CA GLU A 25 3.829 3.976 -3.961 1.00 63.11 C ATOM 386 C GLU A 25 4.513 4.054 -2.598 1.00 43.21 C ATOM 387 O GLU A 25 5.740 3.989 -2.502 1.00 64.53 O ATOM 388 CB GLU A 25 4.153 2.643 -4.650 1.00 31.24 C ATOM 389 CG GLU A 25 3.657 1.414 -3.898 1.00 61.12 C ATOM 390 CD GLU A 25 3.989 0.117 -4.613 1.00 34.34 C ATOM 391 OE1 GLU A 25 5.108 -0.400 -4.427 1.00 61.50 O ATOM 392 OE2 GLU A 25 3.137 -0.387 -5.371 1.00 5.11 O ATOM 0 H GLU A 25 4.908 4.832 -5.537 1.00 64.12 H new ATOM 0 HA GLU A 25 2.751 4.037 -3.808 1.00 63.11 H new ATOM 0 HB2 GLU A 25 3.714 2.646 -5.648 1.00 31.24 H new ATOM 0 HB3 GLU A 25 5.233 2.566 -4.777 1.00 31.24 H new ATOM 0 HG2 GLU A 25 4.100 1.399 -2.902 1.00 61.12 H new ATOM 0 HG3 GLU A 25 2.577 1.485 -3.766 1.00 61.12 H new ATOM 399 N LEU A 26 3.713 4.208 -1.553 1.00 23.45 N ATOM 400 CA LEU A 26 4.227 4.295 -0.194 1.00 5.44 C ATOM 401 C LEU A 26 4.411 2.924 0.420 1.00 25.12 C ATOM 402 O LEU A 26 5.447 2.636 1.012 1.00 3.45 O ATOM 403 CB LEU A 26 3.282 5.085 0.709 1.00 44.13 C ATOM 404 CG LEU A 26 3.519 6.588 0.770 1.00 61.51 C ATOM 405 CD1 LEU A 26 2.649 7.199 1.857 1.00 44.33 C ATOM 406 CD2 LEU A 26 4.987 6.888 1.034 1.00 73.22 C ATOM 0 H LEU A 26 2.698 4.276 -1.622 1.00 23.45 H new ATOM 0 HA LEU A 26 5.189 4.802 -0.266 1.00 5.44 H new ATOM 0 HB2 LEU A 26 2.260 4.912 0.372 1.00 44.13 H new ATOM 0 HB3 LEU A 26 3.357 4.684 1.720 1.00 44.13 H new ATOM 0 HG LEU A 26 3.251 7.027 -0.191 1.00 61.51 H new ATOM 0 HD11 LEU A 26 2.821 8.275 1.899 1.00 44.33 H new ATOM 0 HD12 LEU A 26 1.599 7.007 1.634 1.00 44.33 H new ATOM 0 HD13 LEU A 26 2.902 6.754 2.819 1.00 44.33 H new ATOM 0 HD21 LEU A 26 5.136 7.967 1.074 1.00 73.22 H new ATOM 0 HD22 LEU A 26 5.284 6.445 1.985 1.00 73.22 H new ATOM 0 HD23 LEU A 26 5.594 6.467 0.233 1.00 73.22 H new ATOM 418 N LEU A 27 3.416 2.073 0.249 1.00 64.31 N ATOM 419 CA LEU A 27 3.328 0.865 1.045 1.00 73.22 C ATOM 420 C LEU A 27 2.870 -0.318 0.204 1.00 35.15 C ATOM 421 O LEU A 27 1.988 -0.188 -0.646 1.00 61.43 O ATOM 422 CB LEU A 27 2.344 1.106 2.199 1.00 54.12 C ATOM 423 CG LEU A 27 2.182 -0.043 3.189 1.00 35.24 C ATOM 424 CD1 LEU A 27 3.464 -0.256 3.980 1.00 32.22 C ATOM 425 CD2 LEU A 27 1.015 0.228 4.123 1.00 45.12 C ATOM 0 H LEU A 27 2.663 2.195 -0.429 1.00 64.31 H new ATOM 0 HA LEU A 27 4.316 0.626 1.438 1.00 73.22 H new ATOM 0 HB2 LEU A 27 2.668 1.990 2.748 1.00 54.12 H new ATOM 0 HB3 LEU A 27 1.366 1.335 1.775 1.00 54.12 H new ATOM 0 HG LEU A 27 1.974 -0.955 2.629 1.00 35.24 H new ATOM 0 HD11 LEU A 27 3.327 -1.080 4.680 1.00 32.22 H new ATOM 0 HD12 LEU A 27 4.279 -0.493 3.296 1.00 32.22 H new ATOM 0 HD13 LEU A 27 3.706 0.652 4.532 1.00 32.22 H new ATOM 0 HD21 LEU A 27 0.910 -0.600 4.824 1.00 45.12 H new ATOM 0 HD22 LEU A 27 1.197 1.150 4.675 1.00 45.12 H new ATOM 0 HD23 LEU A 27 0.099 0.328 3.541 1.00 45.12 H new ATOM 437 N ARG A 28 3.483 -1.464 0.457 1.00 73.24 N ATOM 438 CA ARG A 28 3.159 -2.694 -0.246 1.00 14.03 C ATOM 439 C ARG A 28 2.583 -3.690 0.752 1.00 51.32 C ATOM 440 O ARG A 28 3.323 -4.378 1.456 1.00 31.33 O ATOM 441 CB ARG A 28 4.423 -3.254 -0.908 1.00 22.23 C ATOM 442 CG ARG A 28 5.145 -2.231 -1.773 1.00 71.54 C ATOM 443 CD ARG A 28 6.600 -2.605 -1.992 1.00 53.12 C ATOM 444 NE ARG A 28 6.756 -3.791 -2.833 1.00 54.34 N ATOM 445 CZ ARG A 28 7.583 -4.799 -2.549 1.00 41.10 C ATOM 446 NH1 ARG A 28 8.261 -4.800 -1.411 1.00 53.24 N ATOM 447 NH2 ARG A 28 7.730 -5.808 -3.401 1.00 32.34 N ATOM 0 H ARG A 28 4.219 -1.567 1.156 1.00 73.24 H new ATOM 0 HA ARG A 28 2.421 -2.503 -1.025 1.00 14.03 H new ATOM 0 HB2 ARG A 28 5.103 -3.612 -0.135 1.00 22.23 H new ATOM 0 HB3 ARG A 28 4.155 -4.115 -1.521 1.00 22.23 H new ATOM 0 HG2 ARG A 28 4.642 -2.149 -2.736 1.00 71.54 H new ATOM 0 HG3 ARG A 28 5.089 -1.251 -1.300 1.00 71.54 H new ATOM 0 HD2 ARG A 28 7.121 -1.766 -2.453 1.00 53.12 H new ATOM 0 HD3 ARG A 28 7.074 -2.784 -1.027 1.00 53.12 H new ATOM 0 HE ARG A 28 6.200 -3.851 -3.686 1.00 54.34 H new ATOM 0 HH11 ARG A 28 8.151 -4.030 -0.751 1.00 53.24 H new ATOM 0 HH12 ARG A 28 8.893 -5.571 -1.195 1.00 53.24 H new ATOM 0 HH21 ARG A 28 7.209 -5.815 -4.278 1.00 32.34 H new ATOM 0 HH22 ARG A 28 8.364 -6.576 -3.178 1.00 32.34 H new ATOM 461 N THR A 29 1.268 -3.737 0.849 1.00 15.33 N ATOM 462 CA THR A 29 0.628 -4.483 1.911 1.00 54.01 C ATOM 463 C THR A 29 -0.580 -5.278 1.418 1.00 22.12 C ATOM 464 O THR A 29 -1.646 -4.724 1.162 1.00 73.25 O ATOM 465 CB THR A 29 0.215 -3.521 3.040 1.00 12.41 C ATOM 466 OG1 THR A 29 1.385 -2.982 3.655 1.00 52.12 O ATOM 467 CG2 THR A 29 -0.630 -4.212 4.087 1.00 52.43 C ATOM 0 H THR A 29 0.627 -3.270 0.208 1.00 15.33 H new ATOM 0 HA THR A 29 1.349 -5.208 2.289 1.00 54.01 H new ATOM 0 HB THR A 29 -0.384 -2.724 2.599 1.00 12.41 H new ATOM 0 HG1 THR A 29 1.198 -2.784 4.596 1.00 52.12 H new ATOM 0 HG21 THR A 29 -0.900 -3.499 4.866 1.00 52.43 H new ATOM 0 HG22 THR A 29 -1.536 -4.603 3.623 1.00 52.43 H new ATOM 0 HG23 THR A 29 -0.064 -5.033 4.528 1.00 52.43 H new ATOM 475 N ASN A 30 -0.406 -6.587 1.289 1.00 71.01 N ATOM 476 CA ASN A 30 -1.518 -7.471 0.941 1.00 53.40 C ATOM 477 C ASN A 30 -2.208 -7.953 2.210 1.00 70.54 C ATOM 478 O ASN A 30 -3.189 -8.692 2.161 1.00 4.31 O ATOM 479 CB ASN A 30 -1.032 -8.672 0.121 1.00 73.30 C ATOM 480 CG ASN A 30 -0.140 -9.612 0.913 1.00 31.00 C ATOM 481 OD1 ASN A 30 1.080 -9.458 0.937 1.00 11.53 O ATOM 482 ND2 ASN A 30 -0.743 -10.590 1.571 1.00 55.14 N ATOM 0 H ASN A 30 0.488 -7.061 1.419 1.00 71.01 H new ATOM 0 HA ASN A 30 -2.226 -6.909 0.332 1.00 53.40 H new ATOM 0 HB2 ASN A 30 -1.895 -9.225 -0.249 1.00 73.30 H new ATOM 0 HB3 ASN A 30 -0.487 -8.312 -0.751 1.00 73.30 H new ATOM 0 HD21 ASN A 30 -0.193 -11.249 2.123 1.00 55.14 H new ATOM 0 HD22 ASN A 30 -1.758 -10.685 1.526 1.00 55.14 H new ATOM 489 N ASP A 31 -1.675 -7.514 3.343 1.00 53.41 N ATOM 490 CA ASP A 31 -2.164 -7.925 4.657 1.00 75.21 C ATOM 491 C ASP A 31 -3.551 -7.360 4.944 1.00 15.34 C ATOM 492 O ASP A 31 -4.360 -8.004 5.615 1.00 41.14 O ATOM 493 CB ASP A 31 -1.183 -7.465 5.737 1.00 72.42 C ATOM 494 CG ASP A 31 -1.572 -7.932 7.124 1.00 11.14 C ATOM 495 OD1 ASP A 31 -2.396 -7.257 7.775 1.00 14.14 O ATOM 496 OD2 ASP A 31 -1.042 -8.967 7.577 1.00 50.33 O ATOM 0 H ASP A 31 -0.891 -6.863 3.379 1.00 53.41 H new ATOM 0 HA ASP A 31 -2.240 -9.012 4.663 1.00 75.21 H new ATOM 0 HB2 ASP A 31 -0.187 -7.839 5.499 1.00 72.42 H new ATOM 0 HB3 ASP A 31 -1.125 -6.377 5.728 1.00 72.42 H new ATOM 501 N ALA A 32 -3.801 -6.149 4.437 1.00 75.22 N ATOM 502 CA ALA A 32 -5.072 -5.435 4.622 1.00 24.13 C ATOM 503 C ALA A 32 -5.227 -4.894 6.047 1.00 74.22 C ATOM 504 O ALA A 32 -5.511 -3.709 6.239 1.00 5.03 O ATOM 505 CB ALA A 32 -6.268 -6.308 4.244 1.00 53.22 C ATOM 0 H ALA A 32 -3.121 -5.630 3.881 1.00 75.22 H new ATOM 0 HA ALA A 32 -5.049 -4.580 3.946 1.00 24.13 H new ATOM 0 HB1 ALA A 32 -7.190 -5.746 4.394 1.00 53.22 H new ATOM 0 HB2 ALA A 32 -6.188 -6.602 3.197 1.00 53.22 H new ATOM 0 HB3 ALA A 32 -6.280 -7.200 4.871 1.00 53.22 H new ATOM 511 N VAL A 33 -5.024 -5.753 7.037 1.00 52.01 N ATOM 512 CA VAL A 33 -5.161 -5.360 8.434 1.00 21.00 C ATOM 513 C VAL A 33 -4.077 -4.354 8.816 1.00 30.34 C ATOM 514 O VAL A 33 -4.369 -3.300 9.382 1.00 62.02 O ATOM 515 CB VAL A 33 -5.102 -6.582 9.375 1.00 14.24 C ATOM 516 CG1 VAL A 33 -5.294 -6.161 10.823 1.00 24.14 C ATOM 517 CG2 VAL A 33 -6.154 -7.605 8.976 1.00 61.51 C ATOM 0 H VAL A 33 -4.763 -6.729 6.898 1.00 52.01 H new ATOM 0 HA VAL A 33 -6.139 -4.892 8.549 1.00 21.00 H new ATOM 0 HB VAL A 33 -4.116 -7.038 9.282 1.00 14.24 H new ATOM 0 HG11 VAL A 33 -5.248 -7.040 11.466 1.00 24.14 H new ATOM 0 HG12 VAL A 33 -4.507 -5.462 11.106 1.00 24.14 H new ATOM 0 HG13 VAL A 33 -6.265 -5.679 10.936 1.00 24.14 H new ATOM 0 HG21 VAL A 33 -6.102 -8.462 9.648 1.00 61.51 H new ATOM 0 HG22 VAL A 33 -7.144 -7.153 9.041 1.00 61.51 H new ATOM 0 HG23 VAL A 33 -5.972 -7.934 7.953 1.00 61.51 H new ATOM 527 N LEU A 34 -2.831 -4.678 8.481 1.00 14.12 N ATOM 528 CA LEU A 34 -1.707 -3.766 8.697 1.00 24.31 C ATOM 529 C LEU A 34 -1.960 -2.435 7.987 1.00 11.02 C ATOM 530 O LEU A 34 -1.650 -1.364 8.510 1.00 75.10 O ATOM 531 CB LEU A 34 -0.409 -4.395 8.177 1.00 25.42 C ATOM 532 CG LEU A 34 0.844 -3.526 8.317 1.00 55.13 C ATOM 533 CD1 LEU A 34 1.160 -3.263 9.784 1.00 51.33 C ATOM 534 CD2 LEU A 34 2.027 -4.183 7.618 1.00 50.42 C ATOM 0 H LEU A 34 -2.572 -5.569 8.057 1.00 14.12 H new ATOM 0 HA LEU A 34 -1.609 -3.582 9.767 1.00 24.31 H new ATOM 0 HB2 LEU A 34 -0.242 -5.332 8.707 1.00 25.42 H new ATOM 0 HB3 LEU A 34 -0.542 -4.644 7.124 1.00 25.42 H new ATOM 0 HG LEU A 34 0.651 -2.566 7.838 1.00 55.13 H new ATOM 0 HD11 LEU A 34 2.054 -2.644 9.858 1.00 51.33 H new ATOM 0 HD12 LEU A 34 0.321 -2.746 10.250 1.00 51.33 H new ATOM 0 HD13 LEU A 34 1.331 -4.211 10.295 1.00 51.33 H new ATOM 0 HD21 LEU A 34 2.910 -3.553 7.727 1.00 50.42 H new ATOM 0 HD22 LEU A 34 2.219 -5.158 8.067 1.00 50.42 H new ATOM 0 HD23 LEU A 34 1.800 -4.310 6.559 1.00 50.42 H new ATOM 546 N LEU A 35 -2.551 -2.518 6.802 1.00 1.12 N ATOM 547 CA LEU A 35 -2.847 -1.345 6.000 1.00 74.54 C ATOM 548 C LEU A 35 -3.852 -0.443 6.718 1.00 63.25 C ATOM 549 O LEU A 35 -3.790 0.781 6.602 1.00 13.41 O ATOM 550 CB LEU A 35 -3.380 -1.792 4.635 1.00 23.33 C ATOM 551 CG LEU A 35 -3.328 -0.748 3.522 1.00 11.41 C ATOM 552 CD1 LEU A 35 -3.310 -1.431 2.161 1.00 21.14 C ATOM 553 CD2 LEU A 35 -4.510 0.207 3.607 1.00 14.22 C ATOM 0 H LEU A 35 -2.837 -3.399 6.374 1.00 1.12 H new ATOM 0 HA LEU A 35 -1.936 -0.765 5.851 1.00 74.54 H new ATOM 0 HB2 LEU A 35 -2.812 -2.665 4.314 1.00 23.33 H new ATOM 0 HB3 LEU A 35 -4.415 -2.112 4.758 1.00 23.33 H new ATOM 0 HG LEU A 35 -2.413 -0.170 3.647 1.00 11.41 H new ATOM 0 HD11 LEU A 35 -3.273 -0.676 1.376 1.00 21.14 H new ATOM 0 HD12 LEU A 35 -2.433 -2.074 2.088 1.00 21.14 H new ATOM 0 HD13 LEU A 35 -4.211 -2.033 2.044 1.00 21.14 H new ATOM 0 HD21 LEU A 35 -4.445 0.939 2.802 1.00 14.22 H new ATOM 0 HD22 LEU A 35 -5.439 -0.355 3.513 1.00 14.22 H new ATOM 0 HD23 LEU A 35 -4.493 0.722 4.567 1.00 14.22 H new ATOM 565 N SER A 36 -4.754 -1.052 7.480 1.00 31.31 N ATOM 566 CA SER A 36 -5.771 -0.302 8.206 1.00 4.13 C ATOM 567 C SER A 36 -5.129 0.647 9.220 1.00 61.31 C ATOM 568 O SER A 36 -5.592 1.772 9.418 1.00 45.42 O ATOM 569 CB SER A 36 -6.736 -1.266 8.908 1.00 23.44 C ATOM 570 OG SER A 36 -7.333 -2.168 7.984 1.00 5.45 O ATOM 0 H SER A 36 -4.801 -2.063 7.611 1.00 31.31 H new ATOM 0 HA SER A 36 -6.332 0.299 7.491 1.00 4.13 H new ATOM 0 HB2 SER A 36 -6.199 -1.828 9.672 1.00 23.44 H new ATOM 0 HB3 SER A 36 -7.514 -0.697 9.418 1.00 23.44 H new ATOM 0 HG SER A 36 -6.635 -2.707 7.556 1.00 5.45 H new ATOM 576 N ALA A 37 -4.044 0.196 9.841 1.00 11.34 N ATOM 577 CA ALA A 37 -3.329 1.005 10.819 1.00 44.11 C ATOM 578 C ALA A 37 -2.631 2.179 10.139 1.00 73.23 C ATOM 579 O ALA A 37 -2.668 3.307 10.629 1.00 62.22 O ATOM 580 CB ALA A 37 -2.323 0.152 11.580 1.00 21.45 C ATOM 0 H ALA A 37 -3.641 -0.727 9.683 1.00 11.34 H new ATOM 0 HA ALA A 37 -4.052 1.404 11.530 1.00 44.11 H new ATOM 0 HB1 ALA A 37 -1.797 0.771 12.307 1.00 21.45 H new ATOM 0 HB2 ALA A 37 -2.846 -0.652 12.099 1.00 21.45 H new ATOM 0 HB3 ALA A 37 -1.605 -0.275 10.880 1.00 21.45 H new ATOM 586 N VAL A 38 -2.008 1.905 9.000 1.00 3.51 N ATOM 587 CA VAL A 38 -1.319 2.937 8.230 1.00 3.52 C ATOM 588 C VAL A 38 -2.321 3.942 7.659 1.00 10.35 C ATOM 589 O VAL A 38 -2.097 5.154 7.694 1.00 61.25 O ATOM 590 CB VAL A 38 -0.501 2.311 7.081 1.00 74.42 C ATOM 591 CG1 VAL A 38 0.197 3.382 6.262 1.00 3.34 C ATOM 592 CG2 VAL A 38 0.509 1.310 7.627 1.00 53.25 C ATOM 0 H VAL A 38 -1.965 0.974 8.586 1.00 3.51 H new ATOM 0 HA VAL A 38 -0.638 3.457 8.904 1.00 3.52 H new ATOM 0 HB VAL A 38 -1.192 1.782 6.424 1.00 74.42 H new ATOM 0 HG11 VAL A 38 0.766 2.913 5.459 1.00 3.34 H new ATOM 0 HG12 VAL A 38 -0.546 4.055 5.835 1.00 3.34 H new ATOM 0 HG13 VAL A 38 0.873 3.948 6.903 1.00 3.34 H new ATOM 0 HG21 VAL A 38 1.076 0.879 6.802 1.00 53.25 H new ATOM 0 HG22 VAL A 38 1.190 1.817 8.311 1.00 53.25 H new ATOM 0 HG23 VAL A 38 -0.016 0.517 8.160 1.00 53.25 H new ATOM 602 N GLY A 39 -3.431 3.424 7.150 1.00 11.33 N ATOM 603 CA GLY A 39 -4.464 4.268 6.583 1.00 0.42 C ATOM 604 C GLY A 39 -5.045 5.234 7.597 1.00 44.31 C ATOM 605 O GLY A 39 -5.391 6.366 7.258 1.00 3.41 O ATOM 0 H GLY A 39 -3.635 2.425 7.120 1.00 11.33 H new ATOM 0 HA2 GLY A 39 -4.051 4.830 5.746 1.00 0.42 H new ATOM 0 HA3 GLY A 39 -5.262 3.642 6.184 1.00 0.42 H new ATOM 609 N ALA A 40 -5.145 4.786 8.845 1.00 34.41 N ATOM 610 CA ALA A 40 -5.658 5.628 9.920 1.00 61.11 C ATOM 611 C ALA A 40 -4.731 6.815 10.168 1.00 45.24 C ATOM 612 O ALA A 40 -5.183 7.900 10.528 1.00 63.11 O ATOM 613 CB ALA A 40 -5.836 4.819 11.197 1.00 51.23 C ATOM 0 H ALA A 40 -4.878 3.846 9.136 1.00 34.41 H new ATOM 0 HA ALA A 40 -6.632 6.011 9.614 1.00 61.11 H new ATOM 0 HB1 ALA A 40 -6.219 5.465 11.987 1.00 51.23 H new ATOM 0 HB2 ALA A 40 -6.541 4.007 11.018 1.00 51.23 H new ATOM 0 HB3 ALA A 40 -4.875 4.404 11.502 1.00 51.23 H new ATOM 619 N LEU A 41 -3.436 6.599 9.968 1.00 71.21 N ATOM 620 CA LEU A 41 -2.446 7.657 10.128 1.00 62.11 C ATOM 621 C LEU A 41 -2.594 8.697 9.024 1.00 22.04 C ATOM 622 O LEU A 41 -2.655 9.898 9.288 1.00 43.21 O ATOM 623 CB LEU A 41 -1.033 7.067 10.094 1.00 30.41 C ATOM 624 CG LEU A 41 -0.730 6.033 11.177 1.00 64.01 C ATOM 625 CD1 LEU A 41 0.672 5.477 11.002 1.00 31.04 C ATOM 626 CD2 LEU A 41 -0.886 6.643 12.557 1.00 55.23 C ATOM 0 H LEU A 41 -3.046 5.697 9.694 1.00 71.21 H new ATOM 0 HA LEU A 41 -2.611 8.139 11.092 1.00 62.11 H new ATOM 0 HB2 LEU A 41 -0.873 6.605 9.120 1.00 30.41 H new ATOM 0 HB3 LEU A 41 -0.315 7.882 10.182 1.00 30.41 H new ATOM 0 HG LEU A 41 -1.444 5.215 11.079 1.00 64.01 H new ATOM 0 HD11 LEU A 41 0.872 4.742 11.782 1.00 31.04 H new ATOM 0 HD12 LEU A 41 0.755 5.001 10.025 1.00 31.04 H new ATOM 0 HD13 LEU A 41 1.397 6.288 11.074 1.00 31.04 H new ATOM 0 HD21 LEU A 41 -0.666 5.891 13.314 1.00 55.23 H new ATOM 0 HD22 LEU A 41 -0.196 7.480 12.665 1.00 55.23 H new ATOM 0 HD23 LEU A 41 -1.909 6.998 12.684 1.00 55.23 H new ATOM 638 N LEU A 42 -2.658 8.219 7.788 1.00 55.41 N ATOM 639 CA LEU A 42 -2.780 9.090 6.625 1.00 55.35 C ATOM 640 C LEU A 42 -4.085 9.881 6.666 1.00 1.54 C ATOM 641 O LEU A 42 -4.079 11.113 6.612 1.00 64.05 O ATOM 642 CB LEU A 42 -2.705 8.259 5.342 1.00 62.03 C ATOM 643 CG LEU A 42 -1.441 7.408 5.188 1.00 64.11 C ATOM 644 CD1 LEU A 42 -1.526 6.552 3.938 1.00 52.52 C ATOM 645 CD2 LEU A 42 -0.200 8.288 5.147 1.00 51.22 C ATOM 0 H LEU A 42 -2.627 7.224 7.564 1.00 55.41 H new ATOM 0 HA LEU A 42 -1.954 9.801 6.641 1.00 55.35 H new ATOM 0 HB2 LEU A 42 -3.573 7.601 5.303 1.00 62.03 H new ATOM 0 HB3 LEU A 42 -2.777 8.932 4.488 1.00 62.03 H new ATOM 0 HG LEU A 42 -1.365 6.750 6.054 1.00 64.11 H new ATOM 0 HD11 LEU A 42 -0.620 5.954 3.844 1.00 52.52 H new ATOM 0 HD12 LEU A 42 -2.391 5.892 4.007 1.00 52.52 H new ATOM 0 HD13 LEU A 42 -1.629 7.194 3.063 1.00 52.52 H new ATOM 0 HD21 LEU A 42 0.686 7.663 5.037 1.00 51.22 H new ATOM 0 HD22 LEU A 42 -0.268 8.973 4.302 1.00 51.22 H new ATOM 0 HD23 LEU A 42 -0.128 8.859 6.072 1.00 51.22 H new ATOM 657 N ASP A 43 -5.203 9.171 6.781 1.00 40.10 N ATOM 658 CA ASP A 43 -6.521 9.806 6.814 1.00 40.32 C ATOM 659 C ASP A 43 -6.687 10.665 8.058 1.00 14.23 C ATOM 660 O ASP A 43 -7.468 11.614 8.062 1.00 23.22 O ATOM 661 CB ASP A 43 -7.632 8.752 6.757 1.00 24.24 C ATOM 662 CG ASP A 43 -8.010 8.371 5.335 1.00 64.21 C ATOM 663 OD1 ASP A 43 -7.158 7.814 4.612 1.00 10.04 O ATOM 664 OD2 ASP A 43 -9.178 8.600 4.943 1.00 44.23 O ATOM 0 H ASP A 43 -5.225 8.154 6.853 1.00 40.10 H new ATOM 0 HA ASP A 43 -6.598 10.450 5.938 1.00 40.32 H new ATOM 0 HB2 ASP A 43 -7.308 7.860 7.293 1.00 24.24 H new ATOM 0 HB3 ASP A 43 -8.514 9.132 7.273 1.00 24.24 H new ATOM 669 N GLY A 44 -5.939 10.334 9.107 1.00 74.22 N ATOM 670 CA GLY A 44 -6.001 11.096 10.342 1.00 24.23 C ATOM 671 C GLY A 44 -5.582 12.541 10.152 1.00 45.22 C ATOM 672 O GLY A 44 -6.063 13.434 10.853 1.00 14.54 O ATOM 0 H GLY A 44 -5.289 9.548 9.123 1.00 74.22 H new ATOM 0 HA2 GLY A 44 -7.017 11.064 10.735 1.00 24.23 H new ATOM 0 HA3 GLY A 44 -5.357 10.629 11.087 1.00 24.23 H new ATOM 676 N ALA A 45 -4.682 12.772 9.207 1.00 4.24 N ATOM 677 CA ALA A 45 -4.226 14.120 8.900 1.00 41.30 C ATOM 678 C ALA A 45 -4.749 14.567 7.541 1.00 31.11 C ATOM 679 O ALA A 45 -4.374 15.623 7.035 1.00 2.23 O ATOM 680 CB ALA A 45 -2.706 14.181 8.928 1.00 53.31 C ATOM 0 H ALA A 45 -4.252 12.042 8.639 1.00 4.24 H new ATOM 0 HA ALA A 45 -4.618 14.798 9.658 1.00 41.30 H new ATOM 0 HB1 ALA A 45 -2.378 15.194 8.697 1.00 53.31 H new ATOM 0 HB2 ALA A 45 -2.349 13.901 9.919 1.00 53.31 H new ATOM 0 HB3 ALA A 45 -2.300 13.491 8.188 1.00 53.31 H new ATOM 686 N ASP A 46 -5.635 13.754 6.976 1.00 63.55 N ATOM 687 CA ASP A 46 -6.176 13.978 5.634 1.00 62.03 C ATOM 688 C ASP A 46 -5.049 14.068 4.608 1.00 21.14 C ATOM 689 O ASP A 46 -5.039 14.925 3.721 1.00 11.54 O ATOM 690 CB ASP A 46 -7.058 15.229 5.592 1.00 53.23 C ATOM 691 CG ASP A 46 -7.797 15.365 4.275 1.00 51.23 C ATOM 692 OD1 ASP A 46 -8.260 14.336 3.737 1.00 32.11 O ATOM 693 OD2 ASP A 46 -7.919 16.495 3.771 1.00 62.03 O ATOM 0 H ASP A 46 -6.001 12.919 7.434 1.00 63.55 H new ATOM 0 HA ASP A 46 -6.804 13.125 5.378 1.00 62.03 H new ATOM 0 HB2 ASP A 46 -7.779 15.191 6.409 1.00 53.23 H new ATOM 0 HB3 ASP A 46 -6.440 16.113 5.753 1.00 53.23 H new ATOM 698 N ILE A 47 -4.095 13.168 4.749 1.00 14.23 N ATOM 699 CA ILE A 47 -3.012 13.028 3.786 1.00 34.11 C ATOM 700 C ILE A 47 -3.562 12.510 2.461 1.00 32.30 C ATOM 701 O ILE A 47 -3.038 12.805 1.384 1.00 32.30 O ATOM 702 CB ILE A 47 -1.922 12.077 4.331 1.00 5.10 C ATOM 703 CG1 ILE A 47 -1.213 12.726 5.523 1.00 21.51 C ATOM 704 CG2 ILE A 47 -0.924 11.699 3.251 1.00 43.04 C ATOM 705 CD1 ILE A 47 -0.157 11.850 6.162 1.00 71.33 C ATOM 0 H ILE A 47 -4.046 12.514 5.530 1.00 14.23 H new ATOM 0 HA ILE A 47 -2.558 14.005 3.621 1.00 34.11 H new ATOM 0 HB ILE A 47 -2.405 11.158 4.663 1.00 5.10 H new ATOM 0 HG12 ILE A 47 -0.749 13.656 5.194 1.00 21.51 H new ATOM 0 HG13 ILE A 47 -1.956 12.989 6.276 1.00 21.51 H new ATOM 0 HG21 ILE A 47 -0.172 11.030 3.669 1.00 43.04 H new ATOM 0 HG22 ILE A 47 -1.444 11.197 2.435 1.00 43.04 H new ATOM 0 HG23 ILE A 47 -0.439 12.599 2.873 1.00 43.04 H new ATOM 0 HD11 ILE A 47 0.299 12.381 6.998 1.00 71.33 H new ATOM 0 HD12 ILE A 47 -0.617 10.930 6.523 1.00 71.33 H new ATOM 0 HD13 ILE A 47 0.609 11.607 5.425 1.00 71.33 H new ATOM 717 N GLY A 48 -4.656 11.781 2.555 1.00 2.44 N ATOM 718 CA GLY A 48 -5.258 11.190 1.383 1.00 1.35 C ATOM 719 C GLY A 48 -4.806 9.761 1.190 1.00 4.24 C ATOM 720 O GLY A 48 -4.046 9.238 2.002 1.00 73.44 O ATOM 0 H GLY A 48 -5.143 11.586 3.430 1.00 2.44 H new ATOM 0 HA2 GLY A 48 -6.344 11.220 1.476 1.00 1.35 H new ATOM 0 HA3 GLY A 48 -4.997 11.778 0.503 1.00 1.35 H new ATOM 724 N HIS A 49 -5.275 9.121 0.129 1.00 3.30 N ATOM 725 CA HIS A 49 -4.881 7.749 -0.154 1.00 42.12 C ATOM 726 C HIS A 49 -5.252 7.340 -1.574 1.00 75.21 C ATOM 727 O HIS A 49 -6.399 7.488 -1.998 1.00 75.51 O ATOM 728 CB HIS A 49 -5.498 6.765 0.867 1.00 53.12 C ATOM 729 CG HIS A 49 -7.000 6.829 0.988 1.00 50.12 C ATOM 730 ND1 HIS A 49 -7.651 7.405 2.061 1.00 63.52 N ATOM 731 CD2 HIS A 49 -7.978 6.374 0.168 1.00 62.11 C ATOM 732 CE1 HIS A 49 -8.956 7.304 1.891 1.00 51.14 C ATOM 733 NE2 HIS A 49 -9.180 6.683 0.750 1.00 11.03 N ATOM 0 H HIS A 49 -5.924 9.526 -0.546 1.00 3.30 H new ATOM 0 HA HIS A 49 -3.796 7.704 -0.062 1.00 42.12 H new ATOM 0 HB2 HIS A 49 -5.214 5.750 0.588 1.00 53.12 H new ATOM 0 HB3 HIS A 49 -5.061 6.960 1.846 1.00 53.12 H new ATOM 0 HD1 HIS A 49 -7.194 7.841 2.862 1.00 63.52 H new ATOM 0 HD2 HIS A 49 -7.836 5.862 -0.772 1.00 62.11 H new ATOM 0 HE1 HIS A 49 -9.712 7.668 2.571 1.00 51.14 H new ATOM 742 N LEU A 50 -4.266 6.875 -2.316 1.00 41.24 N ATOM 743 CA LEU A 50 -4.519 6.181 -3.565 1.00 10.50 C ATOM 744 C LEU A 50 -4.268 4.700 -3.338 1.00 20.02 C ATOM 745 O LEU A 50 -3.123 4.260 -3.295 1.00 32.31 O ATOM 746 CB LEU A 50 -3.628 6.707 -4.693 1.00 3.24 C ATOM 747 CG LEU A 50 -3.861 6.048 -6.058 1.00 31.03 C ATOM 748 CD1 LEU A 50 -5.276 6.316 -6.547 1.00 73.33 C ATOM 749 CD2 LEU A 50 -2.843 6.549 -7.068 1.00 71.25 C ATOM 0 H LEU A 50 -3.279 6.965 -2.075 1.00 41.24 H new ATOM 0 HA LEU A 50 -5.551 6.352 -3.871 1.00 10.50 H new ATOM 0 HB2 LEU A 50 -3.787 7.781 -4.792 1.00 3.24 H new ATOM 0 HB3 LEU A 50 -2.585 6.564 -4.410 1.00 3.24 H new ATOM 0 HG LEU A 50 -3.736 4.971 -5.947 1.00 31.03 H new ATOM 0 HD11 LEU A 50 -5.422 5.840 -7.517 1.00 73.33 H new ATOM 0 HD12 LEU A 50 -5.991 5.909 -5.832 1.00 73.33 H new ATOM 0 HD13 LEU A 50 -5.430 7.391 -6.643 1.00 73.33 H new ATOM 0 HD21 LEU A 50 -3.022 6.072 -8.032 1.00 71.25 H new ATOM 0 HD22 LEU A 50 -2.938 7.630 -7.175 1.00 71.25 H new ATOM 0 HD23 LEU A 50 -1.838 6.305 -6.723 1.00 71.25 H new ATOM 761 N VAL A 51 -5.333 3.946 -3.144 1.00 11.35 N ATOM 762 CA VAL A 51 -5.203 2.549 -2.768 1.00 50.34 C ATOM 763 C VAL A 51 -5.772 1.623 -3.833 1.00 34.42 C ATOM 764 O VAL A 51 -6.375 2.079 -4.807 1.00 4.02 O ATOM 765 CB VAL A 51 -5.896 2.263 -1.416 1.00 31.55 C ATOM 766 CG1 VAL A 51 -5.170 2.971 -0.277 1.00 4.42 C ATOM 767 CG2 VAL A 51 -7.359 2.687 -1.456 1.00 24.14 C ATOM 0 H VAL A 51 -6.294 4.274 -3.240 1.00 11.35 H new ATOM 0 HA VAL A 51 -4.135 2.352 -2.669 1.00 50.34 H new ATOM 0 HB VAL A 51 -5.855 1.188 -1.238 1.00 31.55 H new ATOM 0 HG11 VAL A 51 -5.674 2.756 0.665 1.00 4.42 H new ATOM 0 HG12 VAL A 51 -4.140 2.617 -0.226 1.00 4.42 H new ATOM 0 HG13 VAL A 51 -5.176 4.046 -0.455 1.00 4.42 H new ATOM 0 HG21 VAL A 51 -7.825 2.476 -0.494 1.00 24.14 H new ATOM 0 HG22 VAL A 51 -7.423 3.755 -1.664 1.00 24.14 H new ATOM 0 HG23 VAL A 51 -7.877 2.134 -2.239 1.00 24.14 H new ATOM 999 N PRO A 67 -1.320 -7.357 -4.314 1.00 65.43 N ATOM 1000 CA PRO A 67 -0.640 -6.478 -3.380 1.00 54.40 C ATOM 1001 C PRO A 67 -1.342 -5.128 -3.274 1.00 50.21 C ATOM 1002 O PRO A 67 -1.279 -4.304 -4.187 1.00 24.13 O ATOM 1003 CB PRO A 67 0.755 -6.330 -3.985 1.00 60.04 C ATOM 1004 CG PRO A 67 0.552 -6.493 -5.456 1.00 13.03 C ATOM 1005 CD PRO A 67 -0.684 -7.342 -5.644 1.00 31.04 C ATOM 0 HA PRO A 67 -0.624 -6.872 -2.364 1.00 54.40 H new ATOM 0 HB2 PRO A 67 1.187 -5.357 -3.751 1.00 60.04 H new ATOM 0 HB3 PRO A 67 1.438 -7.084 -3.594 1.00 60.04 H new ATOM 0 HG2 PRO A 67 0.429 -5.523 -5.938 1.00 13.03 H new ATOM 0 HG3 PRO A 67 1.419 -6.969 -5.914 1.00 13.03 H new ATOM 0 HD2 PRO A 67 -1.347 -6.918 -6.398 1.00 31.04 H new ATOM 0 HD3 PRO A 67 -0.429 -8.349 -5.975 1.00 31.04 H new ATOM 1013 N ARG A 68 -2.050 -4.924 -2.177 1.00 45.33 N ATOM 1014 CA ARG A 68 -2.762 -3.679 -1.963 1.00 62.22 C ATOM 1015 C ARG A 68 -1.760 -2.575 -1.642 1.00 70.04 C ATOM 1016 O ARG A 68 -1.029 -2.643 -0.652 1.00 71.14 O ATOM 1017 CB ARG A 68 -3.788 -3.847 -0.844 1.00 53.42 C ATOM 1018 CG ARG A 68 -4.890 -2.803 -0.850 1.00 5.30 C ATOM 1019 CD ARG A 68 -5.984 -3.159 0.145 1.00 20.31 C ATOM 1020 NE ARG A 68 -6.514 -4.508 -0.085 1.00 14.44 N ATOM 1021 CZ ARG A 68 -7.460 -5.081 0.667 1.00 73.11 C ATOM 1022 NH1 ARG A 68 -8.034 -4.402 1.656 1.00 14.13 N ATOM 1023 NH2 ARG A 68 -7.848 -6.328 0.416 1.00 2.21 N ATOM 0 H ARG A 68 -2.146 -5.604 -1.423 1.00 45.33 H new ATOM 0 HA ARG A 68 -3.303 -3.401 -2.867 1.00 62.22 H new ATOM 0 HB2 ARG A 68 -4.239 -4.836 -0.925 1.00 53.42 H new ATOM 0 HB3 ARG A 68 -3.272 -3.810 0.116 1.00 53.42 H new ATOM 0 HG2 ARG A 68 -4.472 -1.827 -0.603 1.00 5.30 H new ATOM 0 HG3 ARG A 68 -5.315 -2.724 -1.850 1.00 5.30 H new ATOM 0 HD2 ARG A 68 -5.589 -3.092 1.159 1.00 20.31 H new ATOM 0 HD3 ARG A 68 -6.794 -2.433 0.070 1.00 20.31 H new ATOM 0 HE ARG A 68 -6.137 -5.042 -0.868 1.00 14.44 H new ATOM 0 HH11 ARG A 68 -7.753 -3.440 1.844 1.00 14.13 H new ATOM 0 HH12 ARG A 68 -8.755 -4.844 2.227 1.00 14.13 H new ATOM 0 HH21 ARG A 68 -7.424 -6.849 -0.351 1.00 2.21 H new ATOM 0 HH22 ARG A 68 -8.570 -6.763 0.991 1.00 2.21 H new ATOM 1037 N ARG A 69 -1.717 -1.574 -2.497 1.00 72.14 N ATOM 1038 CA ARG A 69 -0.702 -0.540 -2.411 1.00 4.10 C ATOM 1039 C ARG A 69 -1.316 0.807 -2.062 1.00 41.03 C ATOM 1040 O ARG A 69 -2.351 1.186 -2.609 1.00 13.42 O ATOM 1041 CB ARG A 69 0.055 -0.445 -3.739 1.00 14.20 C ATOM 1042 CG ARG A 69 -0.860 -0.360 -4.955 1.00 14.35 C ATOM 1043 CD ARG A 69 -0.080 -0.255 -6.258 1.00 10.53 C ATOM 1044 NE ARG A 69 0.841 -1.375 -6.446 1.00 4.00 N ATOM 1045 CZ ARG A 69 0.599 -2.416 -7.245 1.00 5.52 C ATOM 1046 NH1 ARG A 69 -0.549 -2.497 -7.912 1.00 4.12 N ATOM 1047 NH2 ARG A 69 1.512 -3.374 -7.391 1.00 32.11 N ATOM 0 H ARG A 69 -2.377 -1.453 -3.265 1.00 72.14 H new ATOM 0 HA ARG A 69 -0.007 -0.809 -1.615 1.00 4.10 H new ATOM 0 HB2 ARG A 69 0.701 0.433 -3.718 1.00 14.20 H new ATOM 0 HB3 ARG A 69 0.703 -1.315 -3.842 1.00 14.20 H new ATOM 0 HG2 ARG A 69 -1.500 -1.241 -4.987 1.00 14.35 H new ATOM 0 HG3 ARG A 69 -1.514 0.506 -4.855 1.00 14.35 H new ATOM 0 HD2 ARG A 69 -0.778 -0.217 -7.094 1.00 10.53 H new ATOM 0 HD3 ARG A 69 0.481 0.679 -6.269 1.00 10.53 H new ATOM 0 HE ARG A 69 1.723 -1.360 -5.935 1.00 4.00 H new ATOM 0 HH11 ARG A 69 -1.249 -1.761 -7.814 1.00 4.12 H new ATOM 0 HH12 ARG A 69 -0.729 -3.295 -8.522 1.00 4.12 H new ATOM 0 HH21 ARG A 69 2.399 -3.313 -6.891 1.00 32.11 H new ATOM 0 HH22 ARG A 69 1.324 -4.169 -8.002 1.00 32.11 H new ATOM 1061 N VAL A 70 -0.690 1.503 -1.122 1.00 52.34 N ATOM 1062 CA VAL A 70 -1.091 2.865 -0.777 1.00 43.33 C ATOM 1063 C VAL A 70 -0.142 3.881 -1.414 1.00 42.24 C ATOM 1064 O VAL A 70 1.074 3.776 -1.262 1.00 54.24 O ATOM 1065 CB VAL A 70 -1.100 3.090 0.749 1.00 72.40 C ATOM 1066 CG1 VAL A 70 -1.682 4.454 1.090 1.00 71.20 C ATOM 1067 CG2 VAL A 70 -1.873 1.987 1.453 1.00 52.33 C ATOM 0 H VAL A 70 0.099 1.148 -0.583 1.00 52.34 H new ATOM 0 HA VAL A 70 -2.102 3.004 -1.160 1.00 43.33 H new ATOM 0 HB VAL A 70 -0.069 3.061 1.101 1.00 72.40 H new ATOM 0 HG11 VAL A 70 -1.679 4.591 2.171 1.00 71.20 H new ATOM 0 HG12 VAL A 70 -1.080 5.234 0.623 1.00 71.20 H new ATOM 0 HG13 VAL A 70 -2.705 4.516 0.720 1.00 71.20 H new ATOM 0 HG21 VAL A 70 -1.866 2.167 2.528 1.00 52.33 H new ATOM 0 HG22 VAL A 70 -2.902 1.977 1.094 1.00 52.33 H new ATOM 0 HG23 VAL A 70 -1.406 1.025 1.243 1.00 52.33 H new ATOM 1077 N LEU A 71 -0.697 4.849 -2.134 1.00 21.43 N ATOM 1078 CA LEU A 71 0.104 5.883 -2.787 1.00 54.21 C ATOM 1079 C LEU A 71 -0.301 7.277 -2.309 1.00 63.33 C ATOM 1080 O LEU A 71 -1.469 7.512 -1.990 1.00 31.02 O ATOM 1081 CB LEU A 71 -0.047 5.815 -4.316 1.00 53.55 C ATOM 1082 CG LEU A 71 0.595 4.609 -5.013 1.00 51.30 C ATOM 1083 CD1 LEU A 71 -0.217 3.344 -4.795 1.00 62.11 C ATOM 1084 CD2 LEU A 71 0.759 4.883 -6.498 1.00 33.04 C ATOM 0 H LEU A 71 -1.702 4.941 -2.282 1.00 21.43 H new ATOM 0 HA LEU A 71 1.144 5.700 -2.519 1.00 54.21 H new ATOM 0 HB2 LEU A 71 -1.111 5.821 -4.555 1.00 53.55 H new ATOM 0 HB3 LEU A 71 0.380 6.723 -4.742 1.00 53.55 H new ATOM 0 HG LEU A 71 1.579 4.453 -4.571 1.00 51.30 H new ATOM 0 HD11 LEU A 71 0.267 2.509 -5.302 1.00 62.11 H new ATOM 0 HD12 LEU A 71 -0.281 3.132 -3.728 1.00 62.11 H new ATOM 0 HD13 LEU A 71 -1.220 3.482 -5.198 1.00 62.11 H new ATOM 0 HD21 LEU A 71 1.216 4.018 -6.979 1.00 33.04 H new ATOM 0 HD22 LEU A 71 -0.218 5.072 -6.943 1.00 33.04 H new ATOM 0 HD23 LEU A 71 1.397 5.756 -6.639 1.00 33.04 H new ATOM 1096 N VAL A 72 0.672 8.188 -2.260 1.00 2.25 N ATOM 1097 CA VAL A 72 0.417 9.597 -1.958 1.00 34.03 C ATOM 1098 C VAL A 72 1.188 10.474 -2.939 1.00 22.41 C ATOM 1099 O VAL A 72 1.921 9.957 -3.783 1.00 72.53 O ATOM 1100 CB VAL A 72 0.811 9.992 -0.516 1.00 41.43 C ATOM 1101 CG1 VAL A 72 -0.007 9.219 0.508 1.00 63.01 C ATOM 1102 CG2 VAL A 72 2.299 9.790 -0.283 1.00 62.23 C ATOM 0 H VAL A 72 1.655 7.971 -2.428 1.00 2.25 H new ATOM 0 HA VAL A 72 -0.658 9.749 -2.054 1.00 34.03 H new ATOM 0 HB VAL A 72 0.590 11.052 -0.390 1.00 41.43 H new ATOM 0 HG11 VAL A 72 0.292 9.518 1.513 1.00 63.01 H new ATOM 0 HG12 VAL A 72 -1.066 9.434 0.365 1.00 63.01 H new ATOM 0 HG13 VAL A 72 0.166 8.150 0.380 1.00 63.01 H new ATOM 0 HG21 VAL A 72 2.549 10.075 0.739 1.00 62.23 H new ATOM 0 HG22 VAL A 72 2.553 8.742 -0.440 1.00 62.23 H new ATOM 0 HG23 VAL A 72 2.864 10.408 -0.981 1.00 62.23 H new ATOM 1112 N HIS A 73 1.047 11.788 -2.820 1.00 2.23 N ATOM 1113 CA HIS A 73 1.650 12.701 -3.790 1.00 11.31 C ATOM 1114 C HIS A 73 2.999 13.238 -3.298 1.00 62.31 C ATOM 1115 O HIS A 73 3.425 12.941 -2.182 1.00 24.41 O ATOM 1116 CB HIS A 73 0.696 13.861 -4.124 1.00 63.31 C ATOM 1117 CG HIS A 73 0.530 14.888 -3.036 1.00 44.05 C ATOM 1118 ND1 HIS A 73 1.054 16.161 -3.123 1.00 23.21 N ATOM 1119 CD2 HIS A 73 -0.123 14.839 -1.850 1.00 23.15 C ATOM 1120 CE1 HIS A 73 0.732 16.845 -2.044 1.00 4.22 C ATOM 1121 NE2 HIS A 73 0.018 16.069 -1.252 1.00 43.14 N ATOM 0 H HIS A 73 0.527 12.244 -2.071 1.00 2.23 H new ATOM 0 HA HIS A 73 1.831 12.131 -4.701 1.00 11.31 H new ATOM 0 HB2 HIS A 73 1.059 14.362 -5.022 1.00 63.31 H new ATOM 0 HB3 HIS A 73 -0.284 13.447 -4.363 1.00 63.31 H new ATOM 0 HD1 HIS A 73 1.606 16.518 -3.903 1.00 23.21 H new ATOM 0 HD2 HIS A 73 -0.656 13.990 -1.448 1.00 23.15 H new ATOM 0 HE1 HIS A 73 1.007 17.870 -1.842 1.00 4.22 H new ATOM 1130 N GLU A 74 3.657 14.035 -4.141 1.00 61.11 N ATOM 1131 CA GLU A 74 4.968 14.604 -3.821 1.00 23.41 C ATOM 1132 C GLU A 74 4.886 15.611 -2.683 1.00 22.33 C ATOM 1133 O GLU A 74 3.794 16.017 -2.286 1.00 41.44 O ATOM 1134 CB GLU A 74 5.605 15.265 -5.051 1.00 51.22 C ATOM 1135 CG GLU A 74 4.610 15.769 -6.091 1.00 12.20 C ATOM 1136 CD GLU A 74 3.729 16.897 -5.579 1.00 33.11 C ATOM 1137 OE1 GLU A 74 4.176 18.063 -5.605 1.00 20.21 O ATOM 1138 OE2 GLU A 74 2.592 16.618 -5.148 1.00 12.34 O ATOM 0 H GLU A 74 3.300 14.303 -5.058 1.00 61.11 H new ATOM 0 HA GLU A 74 5.598 13.774 -3.500 1.00 23.41 H new ATOM 0 HB2 GLU A 74 6.219 16.103 -4.719 1.00 51.22 H new ATOM 0 HB3 GLU A 74 6.274 14.548 -5.526 1.00 51.22 H new ATOM 0 HG2 GLU A 74 5.156 16.113 -6.970 1.00 12.20 H new ATOM 0 HG3 GLU A 74 3.979 14.940 -6.412 1.00 12.20 H new ATOM 1145 N ASP A 75 6.060 16.011 -2.183 1.00 22.51 N ATOM 1146 CA ASP A 75 6.185 16.884 -1.006 1.00 33.11 C ATOM 1147 C ASP A 75 5.693 16.151 0.238 1.00 44.52 C ATOM 1148 O ASP A 75 6.470 15.821 1.138 1.00 62.23 O ATOM 1149 CB ASP A 75 5.408 18.197 -1.195 1.00 51.20 C ATOM 1150 CG ASP A 75 5.632 19.196 -0.068 1.00 64.32 C ATOM 1151 OD1 ASP A 75 5.204 18.931 1.068 1.00 63.05 O ATOM 1152 OD2 ASP A 75 6.220 20.265 -0.331 1.00 50.44 O ATOM 0 H ASP A 75 6.957 15.738 -2.584 1.00 22.51 H new ATOM 0 HA ASP A 75 7.238 17.138 -0.882 1.00 33.11 H new ATOM 0 HB2 ASP A 75 5.703 18.653 -2.140 1.00 51.20 H new ATOM 0 HB3 ASP A 75 4.344 17.974 -1.268 1.00 51.20 H new ATOM 1157 N ASP A 76 4.401 15.863 0.235 1.00 65.01 N ATOM 1158 CA ASP A 76 3.732 15.099 1.283 1.00 70.42 C ATOM 1159 C ASP A 76 4.420 13.755 1.510 1.00 44.43 C ATOM 1160 O ASP A 76 4.373 13.202 2.607 1.00 42.04 O ATOM 1161 CB ASP A 76 2.280 14.877 0.860 1.00 52.52 C ATOM 1162 CG ASP A 76 1.476 14.046 1.835 1.00 24.41 C ATOM 1163 OD1 ASP A 76 1.503 12.808 1.718 1.00 25.41 O ATOM 1164 OD2 ASP A 76 0.778 14.641 2.684 1.00 40.24 O ATOM 0 H ASP A 76 3.772 16.159 -0.511 1.00 65.01 H new ATOM 0 HA ASP A 76 3.777 15.655 2.220 1.00 70.42 H new ATOM 0 HB2 ASP A 76 1.796 15.846 0.738 1.00 52.52 H new ATOM 0 HB3 ASP A 76 2.267 14.389 -0.115 1.00 52.52 H new ATOM 1169 N LEU A 77 5.077 13.256 0.464 1.00 22.31 N ATOM 1170 CA LEU A 77 5.819 11.998 0.520 1.00 62.24 C ATOM 1171 C LEU A 77 6.757 11.980 1.732 1.00 61.31 C ATOM 1172 O LEU A 77 6.887 10.968 2.424 1.00 24.53 O ATOM 1173 CB LEU A 77 6.633 11.830 -0.775 1.00 21.12 C ATOM 1174 CG LEU A 77 6.715 10.410 -1.356 1.00 22.22 C ATOM 1175 CD1 LEU A 77 7.231 9.420 -0.327 1.00 2.42 C ATOM 1176 CD2 LEU A 77 5.362 9.969 -1.894 1.00 15.30 C ATOM 0 H LEU A 77 5.110 13.713 -0.447 1.00 22.31 H new ATOM 0 HA LEU A 77 5.113 11.173 0.619 1.00 62.24 H new ATOM 0 HB2 LEU A 77 6.205 12.485 -1.534 1.00 21.12 H new ATOM 0 HB3 LEU A 77 7.648 12.181 -0.588 1.00 21.12 H new ATOM 0 HG LEU A 77 7.425 10.431 -2.183 1.00 22.22 H new ATOM 0 HD11 LEU A 77 7.277 8.425 -0.770 1.00 2.42 H new ATOM 0 HD12 LEU A 77 8.228 9.719 -0.002 1.00 2.42 H new ATOM 0 HD13 LEU A 77 6.559 9.404 0.531 1.00 2.42 H new ATOM 0 HD21 LEU A 77 5.443 8.961 -2.301 1.00 15.30 H new ATOM 0 HD22 LEU A 77 4.629 9.977 -1.087 1.00 15.30 H new ATOM 0 HD23 LEU A 77 5.043 10.653 -2.681 1.00 15.30 H new ATOM 1188 N ALA A 78 7.395 13.116 1.991 1.00 53.11 N ATOM 1189 CA ALA A 78 8.320 13.239 3.107 1.00 42.34 C ATOM 1190 C ALA A 78 7.572 13.243 4.434 1.00 52.34 C ATOM 1191 O ALA A 78 7.995 12.604 5.401 1.00 54.11 O ATOM 1192 CB ALA A 78 9.155 14.501 2.961 1.00 42.11 C ATOM 0 H ALA A 78 7.286 13.967 1.439 1.00 53.11 H new ATOM 0 HA ALA A 78 8.986 12.376 3.098 1.00 42.34 H new ATOM 0 HB1 ALA A 78 9.843 14.581 3.802 1.00 42.11 H new ATOM 0 HB2 ALA A 78 9.722 14.456 2.031 1.00 42.11 H new ATOM 0 HB3 ALA A 78 8.499 15.371 2.944 1.00 42.11 H new ATOM 1198 N GLY A 79 6.451 13.951 4.466 1.00 74.35 N ATOM 1199 CA GLY A 79 5.663 14.050 5.678 1.00 4.14 C ATOM 1200 C GLY A 79 5.038 12.724 6.063 1.00 22.14 C ATOM 1201 O GLY A 79 5.089 12.320 7.228 1.00 1.11 O ATOM 0 H GLY A 79 6.072 14.461 3.669 1.00 74.35 H new ATOM 0 HA2 GLY A 79 6.295 14.402 6.493 1.00 4.14 H new ATOM 0 HA3 GLY A 79 4.878 14.793 5.540 1.00 4.14 H new ATOM 1205 N ALA A 80 4.464 12.045 5.078 1.00 35.23 N ATOM 1206 CA ALA A 80 3.849 10.742 5.294 1.00 1.45 C ATOM 1207 C ALA A 80 4.869 9.742 5.826 1.00 75.15 C ATOM 1208 O ALA A 80 4.590 9.003 6.771 1.00 72.23 O ATOM 1209 CB ALA A 80 3.222 10.228 4.007 1.00 33.15 C ATOM 0 H ALA A 80 4.412 12.378 4.115 1.00 35.23 H new ATOM 0 HA ALA A 80 3.063 10.857 6.041 1.00 1.45 H new ATOM 0 HB1 ALA A 80 2.768 9.254 4.187 1.00 33.15 H new ATOM 0 HB2 ALA A 80 2.458 10.928 3.670 1.00 33.15 H new ATOM 0 HB3 ALA A 80 3.991 10.133 3.240 1.00 33.15 H new ATOM 1215 N ARG A 81 6.059 9.736 5.231 1.00 2.21 N ATOM 1216 CA ARG A 81 7.127 8.853 5.686 1.00 2.32 C ATOM 1217 C ARG A 81 7.488 9.147 7.134 1.00 14.12 C ATOM 1218 O ARG A 81 7.574 8.236 7.956 1.00 30.31 O ATOM 1219 CB ARG A 81 8.370 8.991 4.810 1.00 14.12 C ATOM 1220 CG ARG A 81 8.247 8.319 3.457 1.00 5.40 C ATOM 1221 CD ARG A 81 9.569 8.350 2.711 1.00 40.44 C ATOM 1222 NE ARG A 81 10.657 7.779 3.508 1.00 43.40 N ATOM 1223 CZ ARG A 81 11.779 7.277 2.994 1.00 71.05 C ATOM 1224 NH1 ARG A 81 11.985 7.305 1.684 1.00 75.34 N ATOM 1225 NH2 ARG A 81 12.699 6.761 3.797 1.00 54.43 N ATOM 0 H ARG A 81 6.306 10.328 4.438 1.00 2.21 H new ATOM 0 HA ARG A 81 6.760 7.830 5.610 1.00 2.32 H new ATOM 0 HB2 ARG A 81 8.581 10.050 4.661 1.00 14.12 H new ATOM 0 HB3 ARG A 81 9.224 8.567 5.339 1.00 14.12 H new ATOM 0 HG2 ARG A 81 7.924 7.286 3.588 1.00 5.40 H new ATOM 0 HG3 ARG A 81 7.480 8.821 2.866 1.00 5.40 H new ATOM 0 HD2 ARG A 81 9.473 7.796 1.778 1.00 40.44 H new ATOM 0 HD3 ARG A 81 9.813 9.379 2.447 1.00 40.44 H new ATOM 0 HE ARG A 81 10.549 7.765 4.522 1.00 43.40 H new ATOM 0 HH11 ARG A 81 11.283 7.712 1.066 1.00 75.34 H new ATOM 0 HH12 ARG A 81 12.845 6.920 1.295 1.00 75.34 H new ATOM 0 HH21 ARG A 81 12.547 6.749 4.806 1.00 54.43 H new ATOM 0 HH22 ARG A 81 13.559 6.376 3.406 1.00 54.43 H new ATOM 1239 N ARG A 82 7.691 10.424 7.437 1.00 13.34 N ATOM 1240 CA ARG A 82 8.050 10.853 8.784 1.00 51.12 C ATOM 1241 C ARG A 82 6.972 10.442 9.787 1.00 34.31 C ATOM 1242 O ARG A 82 7.277 9.979 10.889 1.00 0.32 O ATOM 1243 CB ARG A 82 8.265 12.370 8.803 1.00 53.31 C ATOM 1244 CG ARG A 82 8.696 12.919 10.150 1.00 73.32 C ATOM 1245 CD ARG A 82 9.007 14.404 10.055 1.00 22.32 C ATOM 1246 NE ARG A 82 9.273 15.005 11.362 1.00 61.45 N ATOM 1247 CZ ARG A 82 9.952 16.143 11.541 1.00 41.21 C ATOM 1248 NH1 ARG A 82 10.514 16.760 10.504 1.00 63.23 N ATOM 1249 NH2 ARG A 82 10.094 16.647 12.761 1.00 3.22 N ATOM 0 H ARG A 82 7.612 11.185 6.763 1.00 13.34 H new ATOM 0 HA ARG A 82 8.979 10.364 9.076 1.00 51.12 H new ATOM 0 HB2 ARG A 82 9.019 12.628 8.060 1.00 53.31 H new ATOM 0 HB3 ARG A 82 7.339 12.861 8.502 1.00 53.31 H new ATOM 0 HG2 ARG A 82 7.907 12.755 10.884 1.00 73.32 H new ATOM 0 HG3 ARG A 82 9.576 12.381 10.502 1.00 73.32 H new ATOM 0 HD2 ARG A 82 9.872 14.550 9.409 1.00 22.32 H new ATOM 0 HD3 ARG A 82 8.168 14.918 9.586 1.00 22.32 H new ATOM 0 HE ARG A 82 8.918 14.526 12.189 1.00 61.45 H new ATOM 0 HH11 ARG A 82 10.428 16.365 9.568 1.00 63.23 H new ATOM 0 HH12 ARG A 82 11.031 17.628 10.646 1.00 63.23 H new ATOM 0 HH21 ARG A 82 9.685 16.166 13.562 1.00 3.22 H new ATOM 0 HH22 ARG A 82 10.612 17.515 12.897 1.00 3.22 H new ATOM 1263 N LEU A 83 5.714 10.583 9.378 1.00 71.10 N ATOM 1264 CA LEU A 83 4.576 10.200 10.209 1.00 11.32 C ATOM 1265 C LEU A 83 4.606 8.703 10.514 1.00 71.13 C ATOM 1266 O LEU A 83 4.489 8.289 11.670 1.00 31.54 O ATOM 1267 CB LEU A 83 3.267 10.567 9.499 1.00 64.24 C ATOM 1268 CG LEU A 83 1.988 10.307 10.297 1.00 5.13 C ATOM 1269 CD1 LEU A 83 1.896 11.244 11.492 1.00 55.04 C ATOM 1270 CD2 LEU A 83 0.767 10.460 9.403 1.00 73.30 C ATOM 0 H LEU A 83 5.456 10.963 8.468 1.00 71.10 H new ATOM 0 HA LEU A 83 4.638 10.742 11.153 1.00 11.32 H new ATOM 0 HB2 LEU A 83 3.301 11.624 9.236 1.00 64.24 H new ATOM 0 HB3 LEU A 83 3.212 10.007 8.565 1.00 64.24 H new ATOM 0 HG LEU A 83 2.019 9.284 10.671 1.00 5.13 H new ATOM 0 HD11 LEU A 83 0.979 11.040 12.044 1.00 55.04 H new ATOM 0 HD12 LEU A 83 2.755 11.087 12.145 1.00 55.04 H new ATOM 0 HD13 LEU A 83 1.889 12.277 11.145 1.00 55.04 H new ATOM 0 HD21 LEU A 83 -0.136 10.272 9.985 1.00 73.30 H new ATOM 0 HD22 LEU A 83 0.735 11.473 9.001 1.00 73.30 H new ATOM 0 HD23 LEU A 83 0.825 9.745 8.582 1.00 73.30 H new ATOM 1282 N LEU A 84 4.780 7.898 9.472 1.00 14.10 N ATOM 1283 CA LEU A 84 4.813 6.443 9.616 1.00 2.03 C ATOM 1284 C LEU A 84 6.059 5.986 10.371 1.00 10.02 C ATOM 1285 O LEU A 84 6.043 4.954 11.043 1.00 25.42 O ATOM 1286 CB LEU A 84 4.754 5.759 8.246 1.00 51.04 C ATOM 1287 CG LEU A 84 3.349 5.487 7.690 1.00 41.04 C ATOM 1288 CD1 LEU A 84 2.532 6.766 7.582 1.00 35.21 C ATOM 1289 CD2 LEU A 84 3.446 4.808 6.335 1.00 4.14 C ATOM 0 H LEU A 84 4.901 8.227 8.514 1.00 14.10 H new ATOM 0 HA LEU A 84 3.936 6.153 10.195 1.00 2.03 H new ATOM 0 HB2 LEU A 84 5.293 6.378 7.529 1.00 51.04 H new ATOM 0 HB3 LEU A 84 5.287 4.810 8.312 1.00 51.04 H new ATOM 0 HG LEU A 84 2.836 4.825 8.387 1.00 41.04 H new ATOM 0 HD11 LEU A 84 1.544 6.534 7.185 1.00 35.21 H new ATOM 0 HD12 LEU A 84 2.430 7.217 8.569 1.00 35.21 H new ATOM 0 HD13 LEU A 84 3.036 7.465 6.915 1.00 35.21 H new ATOM 0 HD21 LEU A 84 2.444 4.620 5.950 1.00 4.14 H new ATOM 0 HD22 LEU A 84 3.986 5.454 5.642 1.00 4.14 H new ATOM 0 HD23 LEU A 84 3.978 3.863 6.439 1.00 4.14 H new ATOM 1301 N THR A 85 7.138 6.749 10.261 1.00 44.43 N ATOM 1302 CA THR A 85 8.368 6.437 10.975 1.00 41.03 C ATOM 1303 C THR A 85 8.180 6.659 12.473 1.00 33.03 C ATOM 1304 O THR A 85 8.551 5.812 13.287 1.00 3.12 O ATOM 1305 CB THR A 85 9.550 7.285 10.459 1.00 44.21 C ATOM 1306 OG1 THR A 85 9.691 7.114 9.042 1.00 53.22 O ATOM 1307 CG2 THR A 85 10.851 6.888 11.145 1.00 1.23 C ATOM 0 H THR A 85 7.186 7.589 9.684 1.00 44.43 H new ATOM 0 HA THR A 85 8.601 5.388 10.794 1.00 41.03 H new ATOM 0 HB THR A 85 9.340 8.330 10.688 1.00 44.21 H new ATOM 0 HG1 THR A 85 9.003 7.636 8.579 1.00 53.22 H new ATOM 0 HG21 THR A 85 11.666 7.502 10.762 1.00 1.23 H new ATOM 0 HG22 THR A 85 10.757 7.040 12.220 1.00 1.23 H new ATOM 0 HG23 THR A 85 11.062 5.838 10.944 1.00 1.23 H new ATOM 1315 N ASP A 86 7.568 7.785 12.825 1.00 71.41 N ATOM 1316 CA ASP A 86 7.278 8.107 14.222 1.00 3.31 C ATOM 1317 C ASP A 86 6.327 7.079 14.830 1.00 14.51 C ATOM 1318 O ASP A 86 6.456 6.711 15.997 1.00 74.13 O ATOM 1319 CB ASP A 86 6.669 9.510 14.322 1.00 32.00 C ATOM 1320 CG ASP A 86 6.212 9.864 15.728 1.00 54.35 C ATOM 1321 OD1 ASP A 86 7.024 10.399 16.510 1.00 42.04 O ATOM 1322 OD2 ASP A 86 5.027 9.636 16.044 1.00 60.51 O ATOM 0 H ASP A 86 7.261 8.495 12.160 1.00 71.41 H new ATOM 0 HA ASP A 86 8.213 8.082 14.781 1.00 3.31 H new ATOM 0 HB2 ASP A 86 7.404 10.243 13.990 1.00 32.00 H new ATOM 0 HB3 ASP A 86 5.820 9.580 13.642 1.00 32.00 H new ATOM 1327 N ALA A 87 5.379 6.614 14.021 1.00 11.41 N ATOM 1328 CA ALA A 87 4.429 5.600 14.459 1.00 74.10 C ATOM 1329 C ALA A 87 5.083 4.220 14.517 1.00 63.12 C ATOM 1330 O ALA A 87 4.565 3.303 15.153 1.00 23.11 O ATOM 1331 CB ALA A 87 3.223 5.573 13.534 1.00 24.24 C ATOM 0 H ALA A 87 5.250 6.925 13.058 1.00 11.41 H new ATOM 0 HA ALA A 87 4.098 5.859 15.465 1.00 74.10 H new ATOM 0 HB1 ALA A 87 2.521 4.811 13.873 1.00 24.24 H new ATOM 0 HB2 ALA A 87 2.734 6.547 13.545 1.00 24.24 H new ATOM 0 HB3 ALA A 87 3.548 5.342 12.520 1.00 24.24 H new ATOM 1337 N GLY A 88 6.214 4.080 13.840 1.00 40.55 N ATOM 1338 CA GLY A 88 6.956 2.832 13.868 1.00 1.44 C ATOM 1339 C GLY A 88 6.429 1.807 12.884 1.00 55.14 C ATOM 1340 O GLY A 88 6.649 0.607 13.049 1.00 5.20 O ATOM 0 H GLY A 88 6.634 4.812 13.268 1.00 40.55 H new ATOM 0 HA2 GLY A 88 8.004 3.034 13.647 1.00 1.44 H new ATOM 0 HA3 GLY A 88 6.917 2.415 14.874 1.00 1.44 H new ATOM 1344 N LEU A 89 5.749 2.271 11.845 1.00 4.24 N ATOM 1345 CA LEU A 89 5.179 1.372 10.845 1.00 22.34 C ATOM 1346 C LEU A 89 5.963 1.432 9.540 1.00 10.42 C ATOM 1347 O LEU A 89 5.670 0.699 8.593 1.00 33.33 O ATOM 1348 CB LEU A 89 3.709 1.716 10.590 1.00 23.42 C ATOM 1349 CG LEU A 89 2.771 1.481 11.774 1.00 51.32 C ATOM 1350 CD1 LEU A 89 1.354 1.896 11.422 1.00 25.34 C ATOM 1351 CD2 LEU A 89 2.806 0.022 12.199 1.00 11.24 C ATOM 0 H LEU A 89 5.578 3.261 11.671 1.00 4.24 H new ATOM 0 HA LEU A 89 5.243 0.356 11.236 1.00 22.34 H new ATOM 0 HB2 LEU A 89 3.643 2.764 10.297 1.00 23.42 H new ATOM 0 HB3 LEU A 89 3.356 1.126 9.744 1.00 23.42 H new ATOM 0 HG LEU A 89 3.112 2.093 12.609 1.00 51.32 H new ATOM 0 HD11 LEU A 89 0.701 1.721 12.277 1.00 25.34 H new ATOM 0 HD12 LEU A 89 1.339 2.955 11.164 1.00 25.34 H new ATOM 0 HD13 LEU A 89 1.004 1.310 10.572 1.00 25.34 H new ATOM 0 HD21 LEU A 89 2.133 -0.127 13.043 1.00 11.24 H new ATOM 0 HD22 LEU A 89 2.490 -0.607 11.367 1.00 11.24 H new ATOM 0 HD23 LEU A 89 3.821 -0.247 12.492 1.00 11.24 H new ATOM 1363 N ALA A 90 6.961 2.302 9.493 1.00 30.41 N ATOM 1364 CA ALA A 90 7.782 2.451 8.301 1.00 61.11 C ATOM 1365 C ALA A 90 8.764 1.293 8.161 1.00 61.24 C ATOM 1366 O ALA A 90 9.898 1.367 8.630 1.00 25.45 O ATOM 1367 CB ALA A 90 8.520 3.780 8.317 1.00 31.44 C ATOM 0 H ALA A 90 7.222 2.915 10.266 1.00 30.41 H new ATOM 0 HA ALA A 90 7.119 2.437 7.436 1.00 61.11 H new ATOM 0 HB1 ALA A 90 9.127 3.870 7.416 1.00 31.44 H new ATOM 0 HB2 ALA A 90 7.799 4.596 8.351 1.00 31.44 H new ATOM 0 HB3 ALA A 90 9.164 3.828 9.195 1.00 31.44 H new ATOM 1373 N HIS A 91 8.307 0.211 7.543 1.00 33.54 N ATOM 1374 CA HIS A 91 9.150 -0.959 7.326 1.00 34.33 C ATOM 1375 C HIS A 91 8.780 -1.658 6.019 1.00 15.32 C ATOM 1376 O HIS A 91 9.650 -2.060 5.251 1.00 52.22 O ATOM 1377 CB HIS A 91 9.017 -1.942 8.494 1.00 64.41 C ATOM 1378 CG HIS A 91 10.049 -3.030 8.491 1.00 13.42 C ATOM 1379 ND1 HIS A 91 9.875 -4.237 7.851 1.00 2.43 N ATOM 1380 CD2 HIS A 91 11.278 -3.084 9.062 1.00 52.10 C ATOM 1381 CE1 HIS A 91 10.947 -4.986 8.029 1.00 2.21 C ATOM 1382 NE2 HIS A 91 11.813 -4.310 8.758 1.00 13.23 N ATOM 0 H HIS A 91 7.357 0.119 7.183 1.00 33.54 H new ATOM 0 HA HIS A 91 10.184 -0.621 7.263 1.00 34.33 H new ATOM 0 HB2 HIS A 91 9.088 -1.390 9.431 1.00 64.41 H new ATOM 0 HB3 HIS A 91 8.026 -2.394 8.465 1.00 64.41 H new ATOM 0 HD1 HIS A 91 9.047 -4.510 7.322 1.00 2.43 H new ATOM 0 HD2 HIS A 91 11.748 -2.307 9.647 1.00 52.10 H new ATOM 0 HE1 HIS A 91 11.091 -5.984 7.643 1.00 2.21 H new ATOM 1391 N GLU A 92 7.481 -1.797 5.772 1.00 34.02 N ATOM 1392 CA GLU A 92 6.996 -2.469 4.566 1.00 31.14 C ATOM 1393 C GLU A 92 6.774 -1.460 3.437 1.00 4.02 C ATOM 1394 O GLU A 92 6.066 -1.732 2.462 1.00 32.21 O ATOM 1395 CB GLU A 92 5.690 -3.207 4.864 1.00 60.30 C ATOM 1396 CG GLU A 92 5.789 -4.182 6.028 1.00 22.33 C ATOM 1397 CD GLU A 92 6.832 -5.260 5.806 1.00 31.32 C ATOM 1398 OE1 GLU A 92 6.493 -6.324 5.249 1.00 40.21 O ATOM 1399 OE2 GLU A 92 8.001 -5.052 6.197 1.00 14.50 O ATOM 0 H GLU A 92 6.744 -1.454 6.389 1.00 34.02 H new ATOM 0 HA GLU A 92 7.751 -3.188 4.248 1.00 31.14 H new ATOM 0 HB2 GLU A 92 4.911 -2.476 5.080 1.00 60.30 H new ATOM 0 HB3 GLU A 92 5.379 -3.751 3.972 1.00 60.30 H new ATOM 0 HG2 GLU A 92 6.030 -3.631 6.937 1.00 22.33 H new ATOM 0 HG3 GLU A 92 4.818 -4.650 6.187 1.00 22.33 H new ATOM 1406 N LEU A 93 7.387 -0.296 3.580 1.00 62.34 N ATOM 1407 CA LEU A 93 7.237 0.780 2.618 1.00 44.22 C ATOM 1408 C LEU A 93 8.162 0.593 1.421 1.00 5.32 C ATOM 1409 O LEU A 93 9.073 -0.234 1.443 1.00 64.55 O ATOM 1410 CB LEU A 93 7.515 2.136 3.280 1.00 73.44 C ATOM 1411 CG LEU A 93 6.376 2.702 4.136 1.00 70.43 C ATOM 1412 CD1 LEU A 93 6.163 1.875 5.393 1.00 0.34 C ATOM 1413 CD2 LEU A 93 6.649 4.157 4.491 1.00 3.34 C ATOM 0 H LEU A 93 8.000 -0.072 4.364 1.00 62.34 H new ATOM 0 HA LEU A 93 6.207 0.757 2.261 1.00 44.22 H new ATOM 0 HB2 LEU A 93 8.402 2.039 3.906 1.00 73.44 H new ATOM 0 HB3 LEU A 93 7.753 2.859 2.500 1.00 73.44 H new ATOM 0 HG LEU A 93 5.460 2.652 3.548 1.00 70.43 H new ATOM 0 HD11 LEU A 93 5.349 2.304 5.977 1.00 0.34 H new ATOM 0 HD12 LEU A 93 5.911 0.851 5.117 1.00 0.34 H new ATOM 0 HD13 LEU A 93 7.076 1.876 5.988 1.00 0.34 H new ATOM 0 HD21 LEU A 93 5.831 4.543 5.099 1.00 3.34 H new ATOM 0 HD22 LEU A 93 7.581 4.226 5.052 1.00 3.34 H new ATOM 0 HD23 LEU A 93 6.731 4.745 3.577 1.00 3.34 H new ATOM 1425 N ARG A 94 7.908 1.368 0.379 1.00 33.45 N ATOM 1426 CA ARG A 94 8.723 1.347 -0.823 1.00 32.53 C ATOM 1427 C ARG A 94 9.641 2.565 -0.834 1.00 52.23 C ATOM 1428 O ARG A 94 9.241 3.654 -1.249 1.00 14.43 O ATOM 1429 CB ARG A 94 7.826 1.342 -2.062 1.00 70.51 C ATOM 1430 CG ARG A 94 8.579 1.205 -3.372 1.00 52.04 C ATOM 1431 CD ARG A 94 7.624 1.286 -4.547 1.00 2.42 C ATOM 1432 NE ARG A 94 8.287 1.081 -5.829 1.00 14.15 N ATOM 1433 CZ ARG A 94 7.777 0.337 -6.812 1.00 60.13 C ATOM 1434 NH1 ARG A 94 6.606 -0.275 -6.655 1.00 15.22 N ATOM 1435 NH2 ARG A 94 8.436 0.196 -7.951 1.00 71.32 N ATOM 0 H ARG A 94 7.132 2.029 0.343 1.00 33.45 H new ATOM 0 HA ARG A 94 9.332 0.443 -0.835 1.00 32.53 H new ATOM 0 HB2 ARG A 94 7.113 0.522 -1.978 1.00 70.51 H new ATOM 0 HB3 ARG A 94 7.248 2.266 -2.083 1.00 70.51 H new ATOM 0 HG2 ARG A 94 9.329 1.992 -3.451 1.00 52.04 H new ATOM 0 HG3 ARG A 94 9.112 0.254 -3.394 1.00 52.04 H new ATOM 0 HD2 ARG A 94 6.840 0.538 -4.425 1.00 2.42 H new ATOM 0 HD3 ARG A 94 7.137 2.261 -4.547 1.00 2.42 H new ATOM 0 HE ARG A 94 9.190 1.531 -5.983 1.00 14.15 H new ATOM 0 HH11 ARG A 94 6.093 -0.177 -5.779 1.00 15.22 H new ATOM 0 HH12 ARG A 94 6.222 -0.842 -7.411 1.00 15.22 H new ATOM 0 HH21 ARG A 94 9.337 0.657 -8.079 1.00 71.32 H new ATOM 0 HH22 ARG A 94 8.043 -0.374 -8.700 1.00 71.32 H new