USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 778 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 29 GLN : amide:sc= -5.15! C(o=-10!,f=-12!) USER MOD Set 1.2: A 35 HIS : no HD1:sc= -4.94! C(o=-10!,f=-15!) USER MOD Set 1.3: A 83 MET CE :methyl -152:sc= -0.367 (180deg=-2.94!) USER MOD Single : A 1 THR N :NH3+ -166:sc= -0.585 (180deg=-1.22) USER MOD Single : A 1 THR OG1 : rot -160:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -1.42! C(o=-1.4!,f=-6.4!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 25 CYS SG : rot 77:sc= 0.198 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -43:sc= 1.7! USER MOD Single : A 47 SER OG : rot 180:sc= 0.256 USER MOD Single : A 49 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.0053) USER MOD Single : A 57 ASN : amide:sc= -0.489 X(o=-0.49,f=-0.019) USER MOD Single : A 61 HIS : no HD1:sc= -3.54! C(o=-3.5!,f=-4!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.681 K(o=-0.68,f=-3.8!) USER MOD Single : A 71 GLN : amide:sc= -0.0117 K(o=-0.012,f=-1.8!) USER MOD Single : A 73 SER OG : rot 140:sc= 0.107 USER MOD Single : A 74 CYS SG : rot -12:sc= -3.42! USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 85 THR OG1 : rot -13:sc= -0.483! USER MOD Single : A 86 SER OG : rot 177:sc= -0.729 USER MOD Single : A 90 THR OG1 : rot 167:sc= 0.742 USER MOD Single : A 97 HIS : no HE2:sc= -1.68 K(o=-1.7,f=-6.2!) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -2.22! C(o=-2.2!,f=-1.6!) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 55.227 -1.132 -0.049 1.00 0.00 N ATOM 2 CA THR A 1 56.067 -0.205 -0.855 1.00 0.00 C ATOM 3 C THR A 1 55.149 0.666 -1.706 1.00 0.00 C ATOM 4 O THR A 1 54.190 0.170 -2.296 1.00 0.00 O ATOM 5 CB THR A 1 57.006 -1.031 -1.745 1.00 0.00 C ATOM 6 OG1 THR A 1 56.346 -1.347 -2.963 1.00 0.00 O ATOM 7 CG2 THR A 1 57.388 -2.325 -1.021 1.00 0.00 C ATOM 0 H1 THR A 1 55.806 -1.562 0.701 1.00 0.00 H new ATOM 0 H2 THR A 1 54.441 -0.604 0.381 1.00 0.00 H new ATOM 0 H3 THR A 1 54.846 -1.879 -0.664 1.00 0.00 H new ATOM 0 HA THR A 1 56.668 0.434 -0.209 1.00 0.00 H new ATOM 0 HB THR A 1 57.906 -0.455 -1.958 1.00 0.00 H new ATOM 0 HG1 THR A 1 56.789 -2.112 -3.386 1.00 0.00 H new ATOM 0 HG21 THR A 1 58.055 -2.912 -1.653 1.00 0.00 H new ATOM 0 HG22 THR A 1 57.893 -2.083 -0.086 1.00 0.00 H new ATOM 0 HG23 THR A 1 56.488 -2.902 -0.808 1.00 0.00 H new ATOM 17 N ALA A 2 55.440 1.967 -1.759 1.00 0.00 N ATOM 18 CA ALA A 2 54.617 2.889 -2.536 1.00 0.00 C ATOM 19 C ALA A 2 55.224 4.286 -2.541 1.00 0.00 C ATOM 20 O ALA A 2 54.648 5.212 -3.112 1.00 0.00 O ATOM 21 CB ALA A 2 53.206 2.972 -1.939 1.00 0.00 C ATOM 0 H ALA A 2 56.229 2.400 -1.279 1.00 0.00 H new ATOM 0 HA ALA A 2 54.570 2.511 -3.557 1.00 0.00 H new ATOM 0 HB1 ALA A 2 52.602 3.663 -2.527 1.00 0.00 H new ATOM 0 HB2 ALA A 2 52.746 1.984 -1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 2 53.266 3.328 -0.911 1.00 0.00 H new ATOM 27 N LYS A 3 56.377 4.447 -1.900 1.00 0.00 N ATOM 28 CA LYS A 3 57.020 5.743 -1.841 1.00 0.00 C ATOM 29 C LYS A 3 58.483 5.619 -1.422 1.00 0.00 C ATOM 30 O LYS A 3 58.776 5.065 -0.365 1.00 0.00 O ATOM 31 CB LYS A 3 56.297 6.589 -0.812 1.00 0.00 C ATOM 32 CG LYS A 3 56.858 8.001 -0.855 1.00 0.00 C ATOM 33 CD LYS A 3 56.036 8.903 0.057 1.00 0.00 C ATOM 34 CE LYS A 3 56.258 8.526 1.525 1.00 0.00 C ATOM 35 NZ LYS A 3 55.779 9.636 2.393 1.00 0.00 N1+ ATOM 0 H LYS A 3 56.877 3.699 -1.419 1.00 0.00 H new ATOM 0 HA LYS A 3 56.980 6.197 -2.831 1.00 0.00 H new ATOM 0 HB2 LYS A 3 55.227 6.602 -1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 3 56.424 6.163 0.183 1.00 0.00 H new ATOM 0 HG2 LYS A 3 57.901 7.999 -0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 3 56.836 8.381 -1.876 1.00 0.00 H new ATOM 0 HD2 LYS A 3 56.315 9.944 -0.104 1.00 0.00 H new ATOM 0 HD3 LYS A 3 54.978 8.815 -0.191 1.00 0.00 H new ATOM 0 HE2 LYS A 3 55.723 7.606 1.762 1.00 0.00 H new ATOM 0 HE3 LYS A 3 57.315 8.336 1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 55.928 9.385 3.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 56.309 10.503 2.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 54.766 9.797 2.224 1.00 0.00 H new ATOM 49 N ASN A 4 59.397 6.160 -2.233 1.00 0.00 N ATOM 50 CA ASN A 4 60.829 6.128 -1.916 1.00 0.00 C ATOM 51 C ASN A 4 61.416 7.535 -2.049 1.00 0.00 C ATOM 52 O ASN A 4 61.241 8.177 -3.084 1.00 0.00 O ATOM 53 CB ASN A 4 61.541 5.166 -2.867 1.00 0.00 C ATOM 54 CG ASN A 4 61.161 5.487 -4.308 1.00 0.00 C ATOM 55 OD1 ASN A 4 60.490 6.487 -4.564 1.00 0.00 O ATOM 56 ND2 ASN A 4 61.550 4.696 -5.270 1.00 0.00 N ATOM 0 H ASN A 4 59.172 6.625 -3.113 1.00 0.00 H new ATOM 0 HA ASN A 4 60.969 5.783 -0.892 1.00 0.00 H new ATOM 0 HB2 ASN A 4 62.620 5.247 -2.740 1.00 0.00 H new ATOM 0 HB3 ASN A 4 61.268 4.138 -2.630 1.00 0.00 H new ATOM 0 HD21 ASN A 4 61.298 4.906 -6.236 1.00 0.00 H new ATOM 0 HD22 ASN A 4 62.106 3.868 -5.056 1.00 0.00 H new ATOM 63 N THR A 5 62.111 8.027 -1.011 1.00 0.00 N ATOM 64 CA THR A 5 62.696 9.375 -1.091 1.00 0.00 C ATOM 65 C THR A 5 63.993 9.465 -0.299 1.00 0.00 C ATOM 66 O THR A 5 63.999 9.427 0.929 1.00 0.00 O ATOM 67 CB THR A 5 61.695 10.403 -0.576 1.00 0.00 C ATOM 68 OG1 THR A 5 60.477 10.251 -1.287 1.00 0.00 O ATOM 69 CG2 THR A 5 62.255 11.807 -0.804 1.00 0.00 C ATOM 0 H THR A 5 62.278 7.532 -0.135 1.00 0.00 H new ATOM 0 HA THR A 5 62.927 9.584 -2.135 1.00 0.00 H new ATOM 0 HB THR A 5 61.518 10.255 0.489 1.00 0.00 H new ATOM 0 HG1 THR A 5 59.825 10.907 -0.963 1.00 0.00 H new ATOM 0 HG21 THR A 5 61.543 12.547 -0.438 1.00 0.00 H new ATOM 0 HG22 THR A 5 63.198 11.914 -0.268 1.00 0.00 H new ATOM 0 HG23 THR A 5 62.424 11.963 -1.870 1.00 0.00 H new ATOM 77 N VAL A 6 65.087 9.560 -1.027 1.00 0.00 N ATOM 78 CA VAL A 6 66.394 9.610 -0.402 1.00 0.00 C ATOM 79 C VAL A 6 66.615 10.907 0.355 1.00 0.00 C ATOM 80 O VAL A 6 66.420 12.003 -0.170 1.00 0.00 O ATOM 81 CB VAL A 6 67.490 9.409 -1.446 1.00 0.00 C ATOM 82 CG1 VAL A 6 67.664 10.677 -2.289 1.00 0.00 C ATOM 83 CG2 VAL A 6 68.803 9.080 -0.733 1.00 0.00 C ATOM 0 H VAL A 6 65.098 9.604 -2.046 1.00 0.00 H new ATOM 0 HA VAL A 6 66.439 8.799 0.324 1.00 0.00 H new ATOM 0 HB VAL A 6 67.210 8.589 -2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 6 68.449 10.517 -3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 6 66.728 10.907 -2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 6 67.939 11.509 -1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 6 69.592 8.935 -1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 6 69.073 9.902 -0.070 1.00 0.00 H new ATOM 0 HG23 VAL A 6 68.681 8.168 -0.148 1.00 0.00 H new ATOM 93 N VAL A 7 67.035 10.754 1.600 1.00 0.00 N ATOM 94 CA VAL A 7 67.302 11.885 2.469 1.00 0.00 C ATOM 95 C VAL A 7 68.771 12.271 2.357 1.00 0.00 C ATOM 96 O VAL A 7 69.119 13.452 2.301 1.00 0.00 O ATOM 97 CB VAL A 7 66.979 11.491 3.909 1.00 0.00 C ATOM 98 CG1 VAL A 7 67.131 12.706 4.828 1.00 0.00 C ATOM 99 CG2 VAL A 7 65.542 10.955 3.974 1.00 0.00 C ATOM 0 H VAL A 7 67.200 9.846 2.034 1.00 0.00 H new ATOM 0 HA VAL A 7 66.685 12.735 2.176 1.00 0.00 H new ATOM 0 HB VAL A 7 67.670 10.715 4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 7 66.899 12.418 5.853 1.00 0.00 H new ATOM 0 HG12 VAL A 7 68.156 13.075 4.777 1.00 0.00 H new ATOM 0 HG13 VAL A 7 66.447 13.492 4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.305 10.672 5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 7 64.850 11.729 3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 7 65.449 10.083 3.326 1.00 0.00 H new ATOM 109 N ARG A 8 69.626 11.248 2.328 1.00 0.00 N ATOM 110 CA ARG A 8 71.074 11.435 2.224 1.00 0.00 C ATOM 111 C ARG A 8 71.703 10.358 1.349 1.00 0.00 C ATOM 112 O ARG A 8 71.457 9.168 1.535 1.00 0.00 O ATOM 113 CB ARG A 8 71.711 11.387 3.623 1.00 0.00 C ATOM 114 CG ARG A 8 73.223 11.113 3.523 1.00 0.00 C ATOM 115 CD ARG A 8 73.882 11.410 4.872 1.00 0.00 C ATOM 116 NE ARG A 8 75.325 11.223 4.785 1.00 0.00 N ATOM 117 CZ ARG A 8 76.087 11.254 5.873 1.00 0.00 C ATOM 118 NH1 ARG A 8 75.830 12.114 6.821 1.00 0.00 N1+ ATOM 119 NH2 ARG A 8 77.072 10.410 6.008 1.00 0.00 N ATOM 0 H ARG A 8 69.337 10.271 2.376 1.00 0.00 H new ATOM 0 HA ARG A 8 71.256 12.408 1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 8 71.541 12.332 4.138 1.00 0.00 H new ATOM 0 HB3 ARG A 8 71.234 10.609 4.219 1.00 0.00 H new ATOM 0 HG2 ARG A 8 73.398 10.075 3.241 1.00 0.00 H new ATOM 0 HG3 ARG A 8 73.666 11.734 2.744 1.00 0.00 H new ATOM 0 HD2 ARG A 8 73.659 12.433 5.175 1.00 0.00 H new ATOM 0 HD3 ARG A 8 73.469 10.753 5.638 1.00 0.00 H new ATOM 0 HE ARG A 8 75.757 11.066 3.874 1.00 0.00 H new ATOM 0 HH11 ARG A 8 75.046 12.760 6.725 1.00 0.00 H new ATOM 0 HH12 ARG A 8 76.413 12.140 7.658 1.00 0.00 H new ATOM 0 HH21 ARG A 8 77.259 9.724 5.277 1.00 0.00 H new ATOM 0 HH22 ARG A 8 77.655 10.436 6.844 1.00 0.00 H new ATOM 133 N GLY A 9 72.541 10.793 0.421 1.00 0.00 N ATOM 134 CA GLY A 9 73.247 9.887 -0.461 1.00 0.00 C ATOM 135 C GLY A 9 74.636 9.603 0.101 1.00 0.00 C ATOM 136 O GLY A 9 74.989 10.094 1.173 1.00 0.00 O ATOM 0 H GLY A 9 72.748 11.779 0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 9 72.689 8.957 -0.565 1.00 0.00 H new ATOM 0 HA3 GLY A 9 73.329 10.323 -1.457 1.00 0.00 H new ATOM 140 N LEU A 10 75.427 8.811 -0.613 1.00 0.00 N ATOM 141 CA LEU A 10 76.768 8.489 -0.135 1.00 0.00 C ATOM 142 C LEU A 10 77.679 9.700 -0.189 1.00 0.00 C ATOM 143 O LEU A 10 77.386 10.687 -0.860 1.00 0.00 O ATOM 144 CB LEU A 10 77.365 7.361 -0.961 1.00 0.00 C ATOM 145 CG LEU A 10 76.416 6.167 -0.923 1.00 0.00 C ATOM 146 CD1 LEU A 10 76.994 5.041 -1.786 1.00 0.00 C ATOM 147 CD2 LEU A 10 76.238 5.682 0.526 1.00 0.00 C ATOM 0 H LEU A 10 75.172 8.388 -1.505 1.00 0.00 H new ATOM 0 HA LEU A 10 76.682 8.171 0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.520 7.687 -1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.341 7.080 -0.566 1.00 0.00 H new ATOM 0 HG LEU A 10 75.442 6.462 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 10 76.321 4.184 -1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 10 77.104 5.390 -2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 10 77.969 4.747 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 10 75.559 4.830 0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 10 77.205 5.384 0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 10 75.824 6.488 1.131 1.00 0.00 H new ATOM 159 N GLU A 11 78.803 9.610 0.522 1.00 0.00 N ATOM 160 CA GLU A 11 79.777 10.695 0.560 1.00 0.00 C ATOM 161 C GLU A 11 81.184 10.124 0.453 1.00 0.00 C ATOM 162 O GLU A 11 81.382 8.919 0.566 1.00 0.00 O ATOM 163 CB GLU A 11 79.635 11.476 1.870 1.00 0.00 C ATOM 164 CG GLU A 11 78.254 12.138 1.932 1.00 0.00 C ATOM 165 CD GLU A 11 78.104 13.157 0.807 1.00 0.00 C ATOM 166 OE1 GLU A 11 79.120 13.604 0.298 1.00 0.00 O1- ATOM 167 OE2 GLU A 11 76.975 13.476 0.468 1.00 0.00 O ATOM 0 H GLU A 11 79.060 8.795 1.079 1.00 0.00 H new ATOM 0 HA GLU A 11 79.596 11.368 -0.278 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.766 10.806 2.720 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.415 12.234 1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 11 77.476 11.379 1.851 1.00 0.00 H new ATOM 0 HG3 GLU A 11 78.121 12.629 2.896 1.00 0.00 H new ATOM 174 N ASN A 12 82.157 10.992 0.231 1.00 0.00 N ATOM 175 CA ASN A 12 83.544 10.554 0.109 1.00 0.00 C ATOM 176 C ASN A 12 84.016 9.901 1.407 1.00 0.00 C ATOM 177 O ASN A 12 83.625 10.320 2.496 1.00 0.00 O ATOM 178 CB ASN A 12 84.436 11.754 -0.211 1.00 0.00 C ATOM 179 CG ASN A 12 85.794 11.276 -0.710 1.00 0.00 C ATOM 180 OD1 ASN A 12 85.889 10.690 -1.789 1.00 0.00 O ATOM 181 ND2 ASN A 12 86.856 11.487 0.016 1.00 0.00 N ATOM 0 H ASN A 12 82.018 11.998 0.132 1.00 0.00 H new ATOM 0 HA ASN A 12 83.608 9.822 -0.696 1.00 0.00 H new ATOM 0 HB2 ASN A 12 83.961 12.379 -0.967 1.00 0.00 H new ATOM 0 HB3 ASN A 12 84.563 12.371 0.679 1.00 0.00 H new ATOM 0 HD21 ASN A 12 87.768 11.167 -0.309 1.00 0.00 H new ATOM 0 HD22 ASN A 12 86.775 11.973 0.909 1.00 0.00 H new ATOM 188 N VAL A 13 84.892 8.895 1.290 1.00 0.00 N ATOM 189 CA VAL A 13 85.444 8.220 2.478 1.00 0.00 C ATOM 190 C VAL A 13 86.969 8.122 2.362 1.00 0.00 C ATOM 191 O VAL A 13 87.497 7.701 1.333 1.00 0.00 O ATOM 192 CB VAL A 13 84.837 6.818 2.645 1.00 0.00 C ATOM 193 CG1 VAL A 13 85.592 6.052 3.739 1.00 0.00 C ATOM 194 CG2 VAL A 13 83.367 6.942 3.056 1.00 0.00 C ATOM 0 H VAL A 13 85.232 8.532 0.399 1.00 0.00 H new ATOM 0 HA VAL A 13 85.187 8.810 3.358 1.00 0.00 H new ATOM 0 HB VAL A 13 84.916 6.283 1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.158 5.059 3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 13 86.642 5.959 3.460 1.00 0.00 H new ATOM 0 HG13 VAL A 13 85.514 6.593 4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 13 82.937 5.947 3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.298 7.482 4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.819 7.485 2.286 1.00 0.00 H new ATOM 204 N GLU A 14 87.667 8.517 3.430 1.00 0.00 N ATOM 205 CA GLU A 14 89.135 8.483 3.456 1.00 0.00 C ATOM 206 C GLU A 14 89.633 7.671 4.653 1.00 0.00 C ATOM 207 O GLU A 14 89.171 7.867 5.776 1.00 0.00 O ATOM 208 CB GLU A 14 89.673 9.916 3.564 1.00 0.00 C ATOM 209 CG GLU A 14 91.151 9.957 3.150 1.00 0.00 C ATOM 210 CD GLU A 14 91.283 9.970 1.627 1.00 0.00 C ATOM 211 OE1 GLU A 14 90.312 10.301 0.965 1.00 0.00 O1- ATOM 212 OE2 GLU A 14 92.360 9.661 1.143 1.00 0.00 O ATOM 0 H GLU A 14 87.241 8.864 4.289 1.00 0.00 H new ATOM 0 HA GLU A 14 89.490 8.015 2.538 1.00 0.00 H new ATOM 0 HB2 GLU A 14 89.090 10.581 2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 14 89.563 10.278 4.586 1.00 0.00 H new ATOM 0 HG2 GLU A 14 91.627 10.843 3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 14 91.673 9.091 3.558 1.00 0.00 H new ATOM 219 N ALA A 15 90.578 6.763 4.410 1.00 0.00 N ATOM 220 CA ALA A 15 91.119 5.943 5.491 1.00 0.00 C ATOM 221 C ALA A 15 92.482 5.355 5.126 1.00 0.00 C ATOM 222 O ALA A 15 92.738 5.032 3.970 1.00 0.00 O ATOM 223 CB ALA A 15 90.148 4.803 5.791 1.00 0.00 C ATOM 0 H ALA A 15 90.979 6.579 3.490 1.00 0.00 H new ATOM 0 HA ALA A 15 91.247 6.580 6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 15 90.547 4.188 6.597 1.00 0.00 H new ATOM 0 HB2 ALA A 15 89.185 5.215 6.092 1.00 0.00 H new ATOM 0 HB3 ALA A 15 90.018 4.191 4.898 1.00 0.00 H new ATOM 229 N LEU A 16 93.353 5.220 6.126 1.00 0.00 N ATOM 230 CA LEU A 16 94.691 4.667 5.910 1.00 0.00 C ATOM 231 C LEU A 16 94.634 3.155 5.742 1.00 0.00 C ATOM 232 O LEU A 16 93.688 2.503 6.180 1.00 0.00 O ATOM 233 CB LEU A 16 95.604 5.024 7.100 1.00 0.00 C ATOM 234 CG LEU A 16 96.132 6.467 6.942 1.00 0.00 C ATOM 235 CD1 LEU A 16 96.434 7.079 8.314 1.00 0.00 C ATOM 236 CD2 LEU A 16 97.422 6.467 6.103 1.00 0.00 C ATOM 0 H LEU A 16 93.157 5.485 7.091 1.00 0.00 H new ATOM 0 HA LEU A 16 95.097 5.101 4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 16 95.051 4.930 8.035 1.00 0.00 H new ATOM 0 HB3 LEU A 16 96.439 4.325 7.152 1.00 0.00 H new ATOM 0 HG LEU A 16 95.365 7.058 6.442 1.00 0.00 H new ATOM 0 HD11 LEU A 16 96.805 8.096 8.185 1.00 0.00 H new ATOM 0 HD12 LEU A 16 95.523 7.098 8.912 1.00 0.00 H new ATOM 0 HD13 LEU A 16 97.189 6.479 8.822 1.00 0.00 H new ATOM 0 HD21 LEU A 16 97.787 7.489 5.997 1.00 0.00 H new ATOM 0 HD22 LEU A 16 98.179 5.861 6.600 1.00 0.00 H new ATOM 0 HD23 LEU A 16 97.215 6.052 5.117 1.00 0.00 H new ATOM 248 N GLU A 17 95.667 2.609 5.113 1.00 0.00 N ATOM 249 CA GLU A 17 95.738 1.166 4.900 1.00 0.00 C ATOM 250 C GLU A 17 95.446 0.422 6.199 1.00 0.00 C ATOM 251 O GLU A 17 95.992 0.751 7.250 1.00 0.00 O ATOM 252 CB GLU A 17 97.131 0.769 4.410 1.00 0.00 C ATOM 253 CG GLU A 17 97.152 -0.724 4.089 1.00 0.00 C ATOM 254 CD GLU A 17 98.491 -1.096 3.462 1.00 0.00 C ATOM 255 OE1 GLU A 17 99.408 -0.297 3.560 1.00 0.00 O ATOM 256 OE2 GLU A 17 98.576 -2.166 2.885 1.00 0.00 O1- ATOM 0 H GLU A 17 96.460 3.135 4.745 1.00 0.00 H new ATOM 0 HA GLU A 17 94.994 0.899 4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 17 97.394 1.346 3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 17 97.875 0.998 5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 17 96.992 -1.304 4.998 1.00 0.00 H new ATOM 0 HG3 GLU A 17 96.339 -0.971 3.406 1.00 0.00 H new ATOM 263 N GLY A 18 94.590 -0.590 6.113 1.00 0.00 N ATOM 264 CA GLY A 18 94.234 -1.390 7.282 1.00 0.00 C ATOM 265 C GLY A 18 93.248 -0.644 8.171 1.00 0.00 C ATOM 266 O GLY A 18 93.083 -0.970 9.347 1.00 0.00 O ATOM 0 H GLY A 18 94.130 -0.876 5.249 1.00 0.00 H new ATOM 0 HA2 GLY A 18 93.797 -2.336 6.961 1.00 0.00 H new ATOM 0 HA3 GLY A 18 95.132 -1.631 7.850 1.00 0.00 H new ATOM 270 N GLY A 19 92.597 0.364 7.597 1.00 0.00 N ATOM 271 CA GLY A 19 91.627 1.174 8.338 1.00 0.00 C ATOM 272 C GLY A 19 90.218 0.608 8.205 1.00 0.00 C ATOM 273 O GLY A 19 90.039 -0.566 7.884 1.00 0.00 O ATOM 0 H GLY A 19 92.721 0.641 6.623 1.00 0.00 H new ATOM 0 HA2 GLY A 19 91.909 1.211 9.390 1.00 0.00 H new ATOM 0 HA3 GLY A 19 91.646 2.199 7.967 1.00 0.00 H new ATOM 277 N GLU A 20 89.222 1.457 8.457 1.00 0.00 N ATOM 278 CA GLU A 20 87.821 1.050 8.366 1.00 0.00 C ATOM 279 C GLU A 20 87.022 2.129 7.639 1.00 0.00 C ATOM 280 O GLU A 20 87.353 3.312 7.707 1.00 0.00 O ATOM 281 CB GLU A 20 87.268 0.828 9.774 1.00 0.00 C ATOM 282 CG GLU A 20 85.883 0.183 9.705 1.00 0.00 C ATOM 283 CD GLU A 20 85.460 -0.246 11.103 1.00 0.00 C ATOM 284 OE1 GLU A 20 86.082 0.209 12.051 1.00 0.00 O ATOM 285 OE2 GLU A 20 84.538 -1.034 11.207 1.00 0.00 O1- ATOM 0 H GLU A 20 89.360 2.431 8.726 1.00 0.00 H new ATOM 0 HA GLU A 20 87.740 0.119 7.804 1.00 0.00 H new ATOM 0 HB2 GLU A 20 87.946 0.190 10.342 1.00 0.00 H new ATOM 0 HB3 GLU A 20 87.208 1.779 10.302 1.00 0.00 H new ATOM 0 HG2 GLU A 20 85.161 0.888 9.294 1.00 0.00 H new ATOM 0 HG3 GLU A 20 85.903 -0.679 9.038 1.00 0.00 H new ATOM 292 N ALA A 21 85.980 1.713 6.925 1.00 0.00 N ATOM 293 CA ALA A 21 85.149 2.647 6.164 1.00 0.00 C ATOM 294 C ALA A 21 83.674 2.301 6.344 1.00 0.00 C ATOM 295 O ALA A 21 83.294 1.132 6.313 1.00 0.00 O ATOM 296 CB ALA A 21 85.540 2.561 4.683 1.00 0.00 C ATOM 0 H ALA A 21 85.690 0.738 6.856 1.00 0.00 H new ATOM 0 HA ALA A 21 85.308 3.663 6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.928 3.253 4.104 1.00 0.00 H new ATOM 0 HB2 ALA A 21 86.592 2.824 4.568 1.00 0.00 H new ATOM 0 HB3 ALA A 21 85.379 1.545 4.323 1.00 0.00 H new ATOM 302 N LEU A 22 82.845 3.328 6.554 1.00 0.00 N ATOM 303 CA LEU A 22 81.412 3.117 6.765 1.00 0.00 C ATOM 304 C LEU A 22 80.582 4.077 5.925 1.00 0.00 C ATOM 305 O LEU A 22 80.819 5.284 5.934 1.00 0.00 O ATOM 306 CB LEU A 22 81.065 3.330 8.244 1.00 0.00 C ATOM 307 CG LEU A 22 82.058 2.561 9.153 1.00 0.00 C ATOM 308 CD1 LEU A 22 83.235 3.465 9.546 1.00 0.00 C ATOM 309 CD2 LEU A 22 81.340 2.107 10.431 1.00 0.00 C ATOM 0 H LEU A 22 83.139 4.304 6.582 1.00 0.00 H new ATOM 0 HA LEU A 22 81.180 2.095 6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 22 81.095 4.394 8.481 1.00 0.00 H new ATOM 0 HB3 LEU A 22 80.048 2.989 8.437 1.00 0.00 H new ATOM 0 HG LEU A 22 82.432 1.697 8.603 1.00 0.00 H new ATOM 0 HD11 LEU A 22 83.923 2.910 10.184 1.00 0.00 H new ATOM 0 HD12 LEU A 22 83.758 3.793 8.648 1.00 0.00 H new ATOM 0 HD13 LEU A 22 82.861 4.335 10.086 1.00 0.00 H new ATOM 0 HD21 LEU A 22 82.039 1.567 11.069 1.00 0.00 H new ATOM 0 HD22 LEU A 22 80.961 2.979 10.965 1.00 0.00 H new ATOM 0 HD23 LEU A 22 80.509 1.453 10.168 1.00 0.00 H new ATOM 321 N PHE A 23 79.596 3.536 5.201 1.00 0.00 N ATOM 322 CA PHE A 23 78.723 4.356 4.359 1.00 0.00 C ATOM 323 C PHE A 23 77.298 4.385 4.929 1.00 0.00 C ATOM 324 O PHE A 23 76.563 3.403 4.833 1.00 0.00 O ATOM 325 CB PHE A 23 78.700 3.777 2.940 1.00 0.00 C ATOM 326 CG PHE A 23 79.988 4.110 2.213 1.00 0.00 C ATOM 327 CD1 PHE A 23 80.151 5.362 1.604 1.00 0.00 C ATOM 328 CD2 PHE A 23 81.016 3.161 2.136 1.00 0.00 C ATOM 329 CE1 PHE A 23 81.339 5.662 0.923 1.00 0.00 C ATOM 330 CE2 PHE A 23 82.203 3.465 1.457 1.00 0.00 C ATOM 331 CZ PHE A 23 82.364 4.715 0.851 1.00 0.00 C ATOM 0 H PHE A 23 79.384 2.538 5.182 1.00 0.00 H new ATOM 0 HA PHE A 23 79.108 5.375 4.336 1.00 0.00 H new ATOM 0 HB2 PHE A 23 78.568 2.696 2.984 1.00 0.00 H new ATOM 0 HB3 PHE A 23 77.850 4.180 2.390 1.00 0.00 H new ATOM 0 HD1 PHE A 23 79.361 6.096 1.659 1.00 0.00 H new ATOM 0 HD2 PHE A 23 80.893 2.194 2.601 1.00 0.00 H new ATOM 0 HE1 PHE A 23 81.462 6.627 0.453 1.00 0.00 H new ATOM 0 HE2 PHE A 23 82.995 2.733 1.401 1.00 0.00 H new ATOM 0 HZ PHE A 23 83.280 4.948 0.328 1.00 0.00 H new ATOM 341 N GLU A 24 76.938 5.513 5.552 1.00 0.00 N ATOM 342 CA GLU A 24 75.615 5.677 6.180 1.00 0.00 C ATOM 343 C GLU A 24 74.680 6.552 5.330 1.00 0.00 C ATOM 344 O GLU A 24 74.938 7.739 5.112 1.00 0.00 O ATOM 345 CB GLU A 24 75.811 6.322 7.576 1.00 0.00 C ATOM 346 CG GLU A 24 75.783 5.259 8.680 1.00 0.00 C ATOM 347 CD GLU A 24 76.149 5.897 10.017 1.00 0.00 C ATOM 348 OE1 GLU A 24 76.477 7.069 10.016 1.00 0.00 O ATOM 349 OE2 GLU A 24 76.099 5.201 11.020 1.00 0.00 O1- ATOM 0 H GLU A 24 77.544 6.329 5.637 1.00 0.00 H new ATOM 0 HA GLU A 24 75.148 4.696 6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 24 76.761 6.856 7.604 1.00 0.00 H new ATOM 0 HB3 GLU A 24 75.027 7.058 7.754 1.00 0.00 H new ATOM 0 HG2 GLU A 24 74.792 4.809 8.740 1.00 0.00 H new ATOM 0 HG3 GLU A 24 76.483 4.458 8.445 1.00 0.00 H new ATOM 356 N CYS A 25 73.583 5.938 4.870 1.00 0.00 N ATOM 357 CA CYS A 25 72.570 6.616 4.052 1.00 0.00 C ATOM 358 C CYS A 25 71.182 6.434 4.677 1.00 0.00 C ATOM 359 O CYS A 25 70.946 5.475 5.414 1.00 0.00 O ATOM 360 CB CYS A 25 72.586 6.010 2.641 1.00 0.00 C ATOM 361 SG CYS A 25 71.043 6.376 1.764 1.00 0.00 S ATOM 0 H CYS A 25 73.373 4.957 5.054 1.00 0.00 H new ATOM 0 HA CYS A 25 72.794 7.682 4.002 1.00 0.00 H new ATOM 0 HB2 CYS A 25 73.431 6.408 2.079 1.00 0.00 H new ATOM 0 HB3 CYS A 25 72.725 4.931 2.706 1.00 0.00 H new ATOM 0 HG CYS A 25 71.058 7.611 1.357 1.00 0.00 H new ATOM 367 N GLN A 26 70.263 7.350 4.366 1.00 0.00 N ATOM 368 CA GLN A 26 68.893 7.279 4.889 1.00 0.00 C ATOM 369 C GLN A 26 67.894 7.559 3.775 1.00 0.00 C ATOM 370 O GLN A 26 68.127 8.416 2.922 1.00 0.00 O ATOM 371 CB GLN A 26 68.699 8.299 6.020 1.00 0.00 C ATOM 372 CG GLN A 26 69.507 7.866 7.247 1.00 0.00 C ATOM 373 CD GLN A 26 69.270 8.834 8.401 1.00 0.00 C ATOM 374 OE1 GLN A 26 68.491 9.778 8.268 1.00 0.00 O ATOM 375 NE2 GLN A 26 69.891 8.653 9.535 1.00 0.00 N ATOM 0 H GLN A 26 70.440 8.149 3.756 1.00 0.00 H new ATOM 0 HA GLN A 26 68.725 6.276 5.282 1.00 0.00 H new ATOM 0 HB2 GLN A 26 69.020 9.287 5.691 1.00 0.00 H new ATOM 0 HB3 GLN A 26 67.642 8.376 6.277 1.00 0.00 H new ATOM 0 HG2 GLN A 26 69.219 6.857 7.544 1.00 0.00 H new ATOM 0 HG3 GLN A 26 70.568 7.835 7.000 1.00 0.00 H new ATOM 0 HE21 GLN A 26 70.536 7.870 9.644 1.00 0.00 H new ATOM 0 HE22 GLN A 26 69.731 9.294 10.312 1.00 0.00 H new ATOM 384 N LEU A 27 66.773 6.835 3.781 1.00 0.00 N ATOM 385 CA LEU A 27 65.743 7.024 2.754 1.00 0.00 C ATOM 386 C LEU A 27 64.354 6.859 3.361 1.00 0.00 C ATOM 387 O LEU A 27 64.230 6.500 4.532 1.00 0.00 O ATOM 388 CB LEU A 27 65.988 6.059 1.574 1.00 0.00 C ATOM 389 CG LEU A 27 65.276 4.712 1.771 1.00 0.00 C ATOM 390 CD1 LEU A 27 65.696 3.765 0.643 1.00 0.00 C ATOM 391 CD2 LEU A 27 65.638 4.093 3.138 1.00 0.00 C ATOM 0 H LEU A 27 66.555 6.121 4.476 1.00 0.00 H new ATOM 0 HA LEU A 27 65.802 8.039 2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 27 65.640 6.521 0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 27 67.059 5.889 1.461 1.00 0.00 H new ATOM 0 HG LEU A 27 64.198 4.870 1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 27 65.198 2.804 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 27 65.414 4.196 -0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 27 66.776 3.620 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 27 65.122 3.140 3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 27 66.715 3.931 3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 27 65.334 4.770 3.936 1.00 0.00 H new ATOM 403 N SER A 28 63.307 7.152 2.577 1.00 0.00 N ATOM 404 CA SER A 28 61.932 7.053 3.080 1.00 0.00 C ATOM 405 C SER A 28 61.148 5.931 2.405 1.00 0.00 C ATOM 406 O SER A 28 60.683 6.089 1.288 1.00 0.00 O ATOM 407 CB SER A 28 61.193 8.373 2.855 1.00 0.00 C ATOM 408 OG SER A 28 60.032 8.398 3.674 1.00 0.00 O ATOM 0 H SER A 28 63.384 7.455 1.606 1.00 0.00 H new ATOM 0 HA SER A 28 62.000 6.830 4.145 1.00 0.00 H new ATOM 0 HB2 SER A 28 61.843 9.214 3.097 1.00 0.00 H new ATOM 0 HB3 SER A 28 60.916 8.475 1.806 1.00 0.00 H new ATOM 0 HG SER A 28 59.553 9.242 3.537 1.00 0.00 H new ATOM 414 N GLN A 29 60.956 4.833 3.130 1.00 0.00 N ATOM 415 CA GLN A 29 60.184 3.675 2.663 1.00 0.00 C ATOM 416 C GLN A 29 60.334 2.544 3.689 1.00 0.00 C ATOM 417 O GLN A 29 61.420 1.974 3.809 1.00 0.00 O ATOM 418 CB GLN A 29 60.671 3.165 1.296 1.00 0.00 C ATOM 419 CG GLN A 29 62.134 2.698 1.379 1.00 0.00 C ATOM 420 CD GLN A 29 62.837 2.915 0.040 1.00 0.00 C ATOM 421 OE1 GLN A 29 62.722 3.984 -0.560 1.00 0.00 O ATOM 422 NE2 GLN A 29 63.556 1.958 -0.464 1.00 0.00 N ATOM 0 H GLN A 29 61.335 4.716 4.070 1.00 0.00 H new ATOM 0 HA GLN A 29 59.144 3.984 2.555 1.00 0.00 H new ATOM 0 HB2 GLN A 29 60.039 2.341 0.964 1.00 0.00 H new ATOM 0 HB3 GLN A 29 60.579 3.957 0.553 1.00 0.00 H new ATOM 0 HG2 GLN A 29 62.654 3.247 2.164 1.00 0.00 H new ATOM 0 HG3 GLN A 29 62.171 1.643 1.650 1.00 0.00 H new ATOM 0 HE21 GLN A 29 63.650 1.073 0.035 1.00 0.00 H new ATOM 0 HE22 GLN A 29 64.027 2.091 -1.359 1.00 0.00 H new ATOM 431 N PRO A 30 59.310 2.198 4.444 1.00 0.00 N ATOM 432 CA PRO A 30 59.440 1.111 5.456 1.00 0.00 C ATOM 433 C PRO A 30 59.733 -0.264 4.839 1.00 0.00 C ATOM 434 O PRO A 30 60.140 -1.178 5.556 1.00 0.00 O ATOM 435 CB PRO A 30 58.106 1.100 6.236 1.00 0.00 C ATOM 436 CG PRO A 30 57.237 2.188 5.655 1.00 0.00 C ATOM 437 CD PRO A 30 57.958 2.786 4.430 1.00 0.00 C ATOM 0 HA PRO A 30 60.295 1.306 6.104 1.00 0.00 H new ATOM 0 HB2 PRO A 30 57.617 0.130 6.148 1.00 0.00 H new ATOM 0 HB3 PRO A 30 58.280 1.274 7.298 1.00 0.00 H new ATOM 0 HG2 PRO A 30 56.267 1.784 5.364 1.00 0.00 H new ATOM 0 HG3 PRO A 30 57.050 2.962 6.400 1.00 0.00 H new ATOM 0 HD2 PRO A 30 57.433 2.541 3.507 1.00 0.00 H new ATOM 0 HD3 PRO A 30 58.002 3.873 4.492 1.00 0.00 H new ATOM 445 N GLU A 31 59.539 -0.428 3.525 1.00 0.00 N ATOM 446 CA GLU A 31 59.809 -1.722 2.906 1.00 0.00 C ATOM 447 C GLU A 31 60.270 -1.556 1.466 1.00 0.00 C ATOM 448 O GLU A 31 59.716 -0.763 0.703 1.00 0.00 O ATOM 449 CB GLU A 31 58.559 -2.605 2.953 1.00 0.00 C ATOM 450 CG GLU A 31 58.918 -3.990 2.412 1.00 0.00 C ATOM 451 CD GLU A 31 57.742 -4.948 2.559 1.00 0.00 C ATOM 452 OE1 GLU A 31 56.655 -4.483 2.851 1.00 0.00 O1- ATOM 453 OE2 GLU A 31 57.952 -6.135 2.375 1.00 0.00 O ATOM 0 H GLU A 31 59.206 0.297 2.890 1.00 0.00 H new ATOM 0 HA GLU A 31 60.609 -2.202 3.470 1.00 0.00 H new ATOM 0 HB2 GLU A 31 58.189 -2.683 3.975 1.00 0.00 H new ATOM 0 HB3 GLU A 31 57.760 -2.162 2.358 1.00 0.00 H new ATOM 0 HG2 GLU A 31 59.202 -3.913 1.362 1.00 0.00 H new ATOM 0 HG3 GLU A 31 59.782 -4.382 2.948 1.00 0.00 H new ATOM 460 N VAL A 32 61.314 -2.299 1.116 1.00 0.00 N ATOM 461 CA VAL A 32 61.899 -2.239 -0.213 1.00 0.00 C ATOM 462 C VAL A 32 61.032 -2.924 -1.274 1.00 0.00 C ATOM 463 O VAL A 32 60.336 -3.902 -1.011 1.00 0.00 O ATOM 464 CB VAL A 32 63.290 -2.883 -0.182 1.00 0.00 C ATOM 465 CG1 VAL A 32 63.193 -4.332 0.325 1.00 0.00 C ATOM 466 CG2 VAL A 32 63.883 -2.870 -1.586 1.00 0.00 C ATOM 0 H VAL A 32 61.775 -2.957 1.745 1.00 0.00 H new ATOM 0 HA VAL A 32 61.970 -1.188 -0.493 1.00 0.00 H new ATOM 0 HB VAL A 32 63.931 -2.316 0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 32 64.187 -4.779 0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 32 62.775 -4.338 1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 32 62.548 -4.908 -0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 32 64.872 -3.327 -1.567 1.00 0.00 H new ATOM 0 HG22 VAL A 32 63.236 -3.432 -2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 32 63.965 -1.841 -1.937 1.00 0.00 H new ATOM 476 N ALA A 33 61.142 -2.400 -2.492 1.00 0.00 N ATOM 477 CA ALA A 33 60.429 -2.940 -3.654 1.00 0.00 C ATOM 478 C ALA A 33 61.440 -3.547 -4.616 1.00 0.00 C ATOM 479 O ALA A 33 61.182 -4.560 -5.265 1.00 0.00 O ATOM 480 CB ALA A 33 59.633 -1.832 -4.351 1.00 0.00 C ATOM 0 H ALA A 33 61.726 -1.591 -2.705 1.00 0.00 H new ATOM 0 HA ALA A 33 59.729 -3.709 -3.327 1.00 0.00 H new ATOM 0 HB1 ALA A 33 59.109 -2.247 -5.212 1.00 0.00 H new ATOM 0 HB2 ALA A 33 58.909 -1.410 -3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 33 60.314 -1.049 -4.684 1.00 0.00 H new ATOM 486 N ALA A 34 62.599 -2.901 -4.689 1.00 0.00 N ATOM 487 CA ALA A 34 63.674 -3.353 -5.560 1.00 0.00 C ATOM 488 C ALA A 34 64.986 -2.631 -5.210 1.00 0.00 C ATOM 489 O ALA A 34 65.048 -1.400 -5.260 1.00 0.00 O ATOM 490 CB ALA A 34 63.289 -3.083 -7.020 1.00 0.00 C ATOM 0 H ALA A 34 62.817 -2.061 -4.153 1.00 0.00 H new ATOM 0 HA ALA A 34 63.827 -4.423 -5.419 1.00 0.00 H new ATOM 0 HB1 ALA A 34 64.091 -3.420 -7.676 1.00 0.00 H new ATOM 0 HB2 ALA A 34 62.373 -3.622 -7.260 1.00 0.00 H new ATOM 0 HB3 ALA A 34 63.129 -2.014 -7.162 1.00 0.00 H new ATOM 496 N HIS A 35 66.032 -3.395 -4.856 1.00 0.00 N ATOM 497 CA HIS A 35 67.336 -2.801 -4.498 1.00 0.00 C ATOM 498 C HIS A 35 68.480 -3.480 -5.253 1.00 0.00 C ATOM 499 O HIS A 35 68.597 -4.707 -5.262 1.00 0.00 O ATOM 500 CB HIS A 35 67.591 -2.926 -2.973 1.00 0.00 C ATOM 501 CG HIS A 35 67.048 -1.722 -2.253 1.00 0.00 C ATOM 502 ND1 HIS A 35 65.904 -1.063 -2.672 1.00 0.00 N ATOM 503 CD2 HIS A 35 67.491 -1.038 -1.145 1.00 0.00 C ATOM 504 CE1 HIS A 35 65.699 -0.037 -1.834 1.00 0.00 C ATOM 505 NE2 HIS A 35 66.636 0.026 -0.882 1.00 0.00 N ATOM 0 H HIS A 35 66.005 -4.414 -4.809 1.00 0.00 H new ATOM 0 HA HIS A 35 67.303 -1.748 -4.779 1.00 0.00 H new ATOM 0 HB2 HIS A 35 67.118 -3.831 -2.591 1.00 0.00 H new ATOM 0 HB3 HIS A 35 68.660 -3.021 -2.783 1.00 0.00 H new ATOM 0 HD2 HIS A 35 68.369 -1.289 -0.568 1.00 0.00 H new ATOM 0 HE1 HIS A 35 64.875 0.656 -1.918 1.00 0.00 H new ATOM 0 HE2 HIS A 35 66.708 0.707 -0.126 1.00 0.00 H new ATOM 513 N THR A 36 69.344 -2.660 -5.860 1.00 0.00 N ATOM 514 CA THR A 36 70.507 -3.157 -6.591 1.00 0.00 C ATOM 515 C THR A 36 71.749 -2.441 -6.081 1.00 0.00 C ATOM 516 O THR A 36 71.889 -1.239 -6.263 1.00 0.00 O ATOM 517 CB THR A 36 70.329 -2.882 -8.084 1.00 0.00 C ATOM 518 OG1 THR A 36 69.285 -3.699 -8.590 1.00 0.00 O ATOM 519 CG2 THR A 36 71.630 -3.178 -8.840 1.00 0.00 C ATOM 0 H THR A 36 69.256 -1.644 -5.857 1.00 0.00 H new ATOM 0 HA THR A 36 70.611 -4.231 -6.438 1.00 0.00 H new ATOM 0 HB THR A 36 70.075 -1.831 -8.225 1.00 0.00 H new ATOM 0 HG1 THR A 36 69.167 -3.524 -9.547 1.00 0.00 H new ATOM 0 HG21 THR A 36 71.487 -2.977 -9.902 1.00 0.00 H new ATOM 0 HG22 THR A 36 72.427 -2.543 -8.455 1.00 0.00 H new ATOM 0 HG23 THR A 36 71.901 -4.225 -8.702 1.00 0.00 H new ATOM 527 N TRP A 37 72.639 -3.183 -5.426 1.00 0.00 N ATOM 528 CA TRP A 37 73.864 -2.593 -4.869 1.00 0.00 C ATOM 529 C TRP A 37 75.110 -3.214 -5.495 1.00 0.00 C ATOM 530 O TRP A 37 75.353 -4.414 -5.373 1.00 0.00 O ATOM 531 CB TRP A 37 73.871 -2.804 -3.345 1.00 0.00 C ATOM 532 CG TRP A 37 74.718 -1.762 -2.664 1.00 0.00 C ATOM 533 CD1 TRP A 37 75.972 -1.406 -3.030 1.00 0.00 C ATOM 534 CD2 TRP A 37 74.385 -0.938 -1.503 1.00 0.00 C ATOM 535 NE1 TRP A 37 76.430 -0.427 -2.170 1.00 0.00 N ATOM 536 CE2 TRP A 37 75.490 -0.101 -1.215 1.00 0.00 C ATOM 537 CE3 TRP A 37 73.245 -0.834 -0.682 1.00 0.00 C ATOM 538 CZ2 TRP A 37 75.468 0.804 -0.153 1.00 0.00 C ATOM 539 CZ3 TRP A 37 73.220 0.079 0.387 1.00 0.00 C ATOM 540 CH2 TRP A 37 74.329 0.895 0.650 1.00 0.00 C ATOM 0 H TRP A 37 72.541 -4.186 -5.266 1.00 0.00 H new ATOM 0 HA TRP A 37 73.879 -1.527 -5.096 1.00 0.00 H new ATOM 0 HB2 TRP A 37 72.851 -2.757 -2.962 1.00 0.00 H new ATOM 0 HB3 TRP A 37 74.253 -3.798 -3.113 1.00 0.00 H new ATOM 0 HD1 TRP A 37 76.525 -1.820 -3.860 1.00 0.00 H new ATOM 0 HE1 TRP A 37 77.353 0.003 -2.234 1.00 0.00 H new ATOM 0 HE3 TRP A 37 72.386 -1.459 -0.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 76.326 1.429 0.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 72.341 0.152 1.010 1.00 0.00 H new ATOM 0 HH2 TRP A 37 74.303 1.594 1.473 1.00 0.00 H new ATOM 551 N LEU A 38 75.903 -2.363 -6.141 1.00 0.00 N ATOM 552 CA LEU A 38 77.149 -2.790 -6.773 1.00 0.00 C ATOM 553 C LEU A 38 78.208 -1.706 -6.660 1.00 0.00 C ATOM 554 O LEU A 38 78.099 -0.645 -7.272 1.00 0.00 O ATOM 555 CB LEU A 38 76.931 -3.105 -8.253 1.00 0.00 C ATOM 556 CG LEU A 38 76.088 -4.374 -8.420 1.00 0.00 C ATOM 557 CD1 LEU A 38 75.793 -4.568 -9.909 1.00 0.00 C ATOM 558 CD2 LEU A 38 76.849 -5.608 -7.878 1.00 0.00 C ATOM 0 H LEU A 38 75.703 -1.368 -6.241 1.00 0.00 H new ATOM 0 HA LEU A 38 77.485 -3.688 -6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 38 76.433 -2.266 -8.739 1.00 0.00 H new ATOM 0 HB3 LEU A 38 77.894 -3.235 -8.748 1.00 0.00 H new ATOM 0 HG LEU A 38 75.160 -4.269 -7.858 1.00 0.00 H new ATOM 0 HD11 LEU A 38 75.193 -5.468 -10.047 1.00 0.00 H new ATOM 0 HD12 LEU A 38 75.245 -3.705 -10.287 1.00 0.00 H new ATOM 0 HD13 LEU A 38 76.731 -4.670 -10.455 1.00 0.00 H new ATOM 0 HD21 LEU A 38 76.234 -6.499 -8.005 1.00 0.00 H new ATOM 0 HD22 LEU A 38 77.783 -5.730 -8.427 1.00 0.00 H new ATOM 0 HD23 LEU A 38 77.066 -5.465 -6.819 1.00 0.00 H new ATOM 570 N LEU A 39 79.241 -1.997 -5.884 1.00 0.00 N ATOM 571 CA LEU A 39 80.340 -1.075 -5.692 1.00 0.00 C ATOM 572 C LEU A 39 81.413 -1.551 -6.628 1.00 0.00 C ATOM 573 O LEU A 39 81.229 -1.509 -7.845 1.00 0.00 O ATOM 574 CB LEU A 39 80.801 -1.090 -4.213 1.00 0.00 C ATOM 575 CG LEU A 39 80.391 -2.401 -3.521 1.00 0.00 C ATOM 576 CD1 LEU A 39 81.101 -3.601 -4.162 1.00 0.00 C ATOM 577 CD2 LEU A 39 80.786 -2.331 -2.043 1.00 0.00 C ATOM 0 H LEU A 39 79.337 -2.875 -5.374 1.00 0.00 H new ATOM 0 HA LEU A 39 80.069 -0.041 -5.905 1.00 0.00 H new ATOM 0 HB2 LEU A 39 81.884 -0.972 -4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 39 80.364 -0.243 -3.684 1.00 0.00 H new ATOM 0 HG LEU A 39 79.314 -2.528 -3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 39 80.796 -4.517 -3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 39 80.832 -3.662 -5.217 1.00 0.00 H new ATOM 0 HD13 LEU A 39 82.180 -3.478 -4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 39 80.499 -3.257 -1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 39 81.864 -2.194 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 39 80.277 -1.492 -1.570 1.00 0.00 H new ATOM 589 N ASP A 40 82.496 -2.081 -6.103 1.00 0.00 N ATOM 590 CA ASP A 40 83.491 -2.630 -6.970 1.00 0.00 C ATOM 591 C ASP A 40 82.763 -3.641 -7.851 1.00 0.00 C ATOM 592 O ASP A 40 81.615 -3.994 -7.570 1.00 0.00 O ATOM 593 CB ASP A 40 84.610 -3.295 -6.157 1.00 0.00 C ATOM 594 CG ASP A 40 85.694 -3.838 -7.082 1.00 0.00 C ATOM 595 OD1 ASP A 40 86.340 -3.038 -7.737 1.00 0.00 O ATOM 596 OD2 ASP A 40 85.865 -5.045 -7.116 1.00 0.00 O1- ATOM 0 H ASP A 40 82.699 -2.139 -5.105 1.00 0.00 H new ATOM 0 HA ASP A 40 83.971 -1.860 -7.574 1.00 0.00 H new ATOM 0 HB2 ASP A 40 85.043 -2.573 -5.465 1.00 0.00 H new ATOM 0 HB3 ASP A 40 84.198 -4.105 -5.556 1.00 0.00 H new ATOM 601 N ASP A 41 83.374 -4.043 -8.921 1.00 0.00 N ATOM 602 CA ASP A 41 82.726 -4.953 -9.855 1.00 0.00 C ATOM 603 C ASP A 41 82.472 -6.323 -9.226 1.00 0.00 C ATOM 604 O ASP A 41 82.483 -7.337 -9.929 1.00 0.00 O ATOM 605 CB ASP A 41 83.616 -5.122 -11.087 1.00 0.00 C ATOM 606 CG ASP A 41 83.695 -3.809 -11.861 1.00 0.00 C ATOM 607 OD1 ASP A 41 82.757 -3.035 -11.767 1.00 0.00 O ATOM 608 OD2 ASP A 41 84.690 -3.597 -12.531 1.00 0.00 O1- ATOM 0 H ASP A 41 84.320 -3.764 -9.182 1.00 0.00 H new ATOM 0 HA ASP A 41 81.762 -4.526 -10.132 1.00 0.00 H new ATOM 0 HB2 ASP A 41 84.615 -5.435 -10.783 1.00 0.00 H new ATOM 0 HB3 ASP A 41 83.217 -5.908 -11.728 1.00 0.00 H new ATOM 613 N GLU A 42 82.205 -6.357 -7.910 1.00 0.00 N ATOM 614 CA GLU A 42 81.910 -7.625 -7.226 1.00 0.00 C ATOM 615 C GLU A 42 80.631 -7.480 -6.389 1.00 0.00 C ATOM 616 O GLU A 42 80.440 -6.449 -5.742 1.00 0.00 O ATOM 617 CB GLU A 42 83.084 -8.024 -6.318 1.00 0.00 C ATOM 618 CG GLU A 42 84.277 -8.424 -7.189 1.00 0.00 C ATOM 619 CD GLU A 42 85.504 -8.713 -6.325 1.00 0.00 C ATOM 620 OE1 GLU A 42 85.324 -9.142 -5.198 1.00 0.00 O1- ATOM 621 OE2 GLU A 42 86.603 -8.500 -6.809 1.00 0.00 O ATOM 0 H GLU A 42 82.187 -5.534 -7.307 1.00 0.00 H new ATOM 0 HA GLU A 42 81.763 -8.403 -7.975 1.00 0.00 H new ATOM 0 HB2 GLU A 42 83.355 -7.193 -5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 42 82.795 -8.853 -5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 42 84.024 -9.306 -7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 42 84.503 -7.624 -7.894 1.00 0.00 H new ATOM 628 N PRO A 43 79.754 -8.466 -6.371 1.00 0.00 N ATOM 629 CA PRO A 43 78.506 -8.363 -5.571 1.00 0.00 C ATOM 630 C PRO A 43 78.859 -8.012 -4.130 1.00 0.00 C ATOM 631 O PRO A 43 79.793 -8.581 -3.567 1.00 0.00 O ATOM 632 CB PRO A 43 77.833 -9.755 -5.675 1.00 0.00 C ATOM 633 CG PRO A 43 78.700 -10.608 -6.572 1.00 0.00 C ATOM 634 CD PRO A 43 79.861 -9.744 -7.093 1.00 0.00 C ATOM 0 HA PRO A 43 77.833 -7.584 -5.930 1.00 0.00 H new ATOM 0 HB2 PRO A 43 77.736 -10.210 -4.689 1.00 0.00 H new ATOM 0 HB3 PRO A 43 76.827 -9.666 -6.085 1.00 0.00 H new ATOM 0 HG2 PRO A 43 79.084 -11.467 -6.022 1.00 0.00 H new ATOM 0 HG3 PRO A 43 78.115 -10.998 -7.405 1.00 0.00 H new ATOM 0 HD2 PRO A 43 80.822 -10.222 -6.904 1.00 0.00 H new ATOM 0 HD3 PRO A 43 79.786 -9.594 -8.170 1.00 0.00 H new ATOM 642 N VAL A 44 78.150 -7.051 -3.536 1.00 0.00 N ATOM 643 CA VAL A 44 78.478 -6.642 -2.173 1.00 0.00 C ATOM 644 C VAL A 44 77.782 -7.513 -1.131 1.00 0.00 C ATOM 645 O VAL A 44 76.719 -7.183 -0.615 1.00 0.00 O ATOM 646 CB VAL A 44 78.122 -5.164 -1.972 1.00 0.00 C ATOM 647 CG1 VAL A 44 76.632 -4.922 -2.262 1.00 0.00 C ATOM 648 CG2 VAL A 44 78.461 -4.744 -0.534 1.00 0.00 C ATOM 0 H VAL A 44 77.368 -6.555 -3.963 1.00 0.00 H new ATOM 0 HA VAL A 44 79.551 -6.775 -2.033 1.00 0.00 H new ATOM 0 HB VAL A 44 78.706 -4.562 -2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 44 76.399 -3.868 -2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 44 76.412 -5.201 -3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 44 76.027 -5.526 -1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 44 78.208 -3.693 -0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 44 77.890 -5.353 0.167 1.00 0.00 H new ATOM 0 HG23 VAL A 44 79.527 -4.887 -0.355 1.00 0.00 H new ATOM 658 N ARG A 45 78.444 -8.613 -0.809 1.00 0.00 N ATOM 659 CA ARG A 45 77.986 -9.541 0.213 1.00 0.00 C ATOM 660 C ARG A 45 79.220 -10.199 0.804 1.00 0.00 C ATOM 661 O ARG A 45 79.783 -9.720 1.770 1.00 0.00 O ATOM 662 CB ARG A 45 77.017 -10.578 -0.364 1.00 0.00 C ATOM 663 CG ARG A 45 75.690 -9.884 -0.701 1.00 0.00 C ATOM 664 CD ARG A 45 74.598 -10.925 -0.919 1.00 0.00 C ATOM 665 NE ARG A 45 74.966 -11.834 -1.999 1.00 0.00 N ATOM 666 CZ ARG A 45 74.753 -11.517 -3.272 1.00 0.00 C ATOM 667 NH1 ARG A 45 73.539 -11.313 -3.702 1.00 0.00 N ATOM 668 NH2 ARG A 45 75.760 -11.401 -4.093 1.00 0.00 N1+ ATOM 0 H ARG A 45 79.320 -8.889 -1.252 1.00 0.00 H new ATOM 0 HA ARG A 45 77.431 -9.011 0.987 1.00 0.00 H new ATOM 0 HB2 ARG A 45 77.442 -11.034 -1.258 1.00 0.00 H new ATOM 0 HB3 ARG A 45 76.851 -11.380 0.355 1.00 0.00 H new ATOM 0 HG2 ARG A 45 75.406 -9.211 0.108 1.00 0.00 H new ATOM 0 HG3 ARG A 45 75.806 -9.274 -1.597 1.00 0.00 H new ATOM 0 HD2 ARG A 45 74.437 -11.489 -0.000 1.00 0.00 H new ATOM 0 HD3 ARG A 45 73.657 -10.429 -1.158 1.00 0.00 H new ATOM 0 HE ARG A 45 75.395 -12.731 -1.773 1.00 0.00 H new ATOM 0 HH11 ARG A 45 72.750 -11.397 -3.061 1.00 0.00 H new ATOM 0 HH12 ARG A 45 73.378 -11.070 -4.679 1.00 0.00 H new ATOM 0 HH21 ARG A 45 76.711 -11.554 -3.758 1.00 0.00 H new ATOM 0 HH22 ARG A 45 75.596 -11.158 -5.070 1.00 0.00 H new ATOM 682 N THR A 46 79.635 -11.289 0.184 1.00 0.00 N ATOM 683 CA THR A 46 80.835 -12.015 0.611 1.00 0.00 C ATOM 684 C THR A 46 80.754 -12.421 2.095 1.00 0.00 C ATOM 685 O THR A 46 79.845 -13.155 2.476 1.00 0.00 O ATOM 686 CB THR A 46 82.082 -11.152 0.322 1.00 0.00 C ATOM 687 OG1 THR A 46 82.333 -10.269 1.407 1.00 0.00 O ATOM 688 CG2 THR A 46 81.851 -10.328 -0.949 1.00 0.00 C ATOM 0 H THR A 46 79.162 -11.699 -0.621 1.00 0.00 H new ATOM 0 HA THR A 46 80.909 -12.942 0.043 1.00 0.00 H new ATOM 0 HB THR A 46 82.940 -11.811 0.189 1.00 0.00 H new ATOM 0 HG1 THR A 46 81.489 -9.872 1.708 1.00 0.00 H new ATOM 0 HG21 THR A 46 82.732 -9.719 -1.153 1.00 0.00 H new ATOM 0 HG22 THR A 46 81.671 -10.998 -1.789 1.00 0.00 H new ATOM 0 HG23 THR A 46 80.986 -9.680 -0.810 1.00 0.00 H new ATOM 696 N SER A 47 81.702 -11.969 2.934 1.00 0.00 N ATOM 697 CA SER A 47 81.693 -12.335 4.362 1.00 0.00 C ATOM 698 C SER A 47 81.951 -11.125 5.257 1.00 0.00 C ATOM 699 O SER A 47 81.515 -10.023 4.969 1.00 0.00 O ATOM 700 CB SER A 47 82.758 -13.395 4.642 1.00 0.00 C ATOM 701 OG SER A 47 82.503 -13.993 5.910 1.00 0.00 O ATOM 0 H SER A 47 82.472 -11.360 2.655 1.00 0.00 H new ATOM 0 HA SER A 47 80.702 -12.729 4.589 1.00 0.00 H new ATOM 0 HB2 SER A 47 82.747 -14.154 3.860 1.00 0.00 H new ATOM 0 HB3 SER A 47 83.750 -12.942 4.633 1.00 0.00 H new ATOM 0 HG SER A 47 83.183 -14.675 6.093 1.00 0.00 H new ATOM 707 N GLU A 48 82.621 -11.350 6.374 1.00 0.00 N ATOM 708 CA GLU A 48 82.876 -10.273 7.320 1.00 0.00 C ATOM 709 C GLU A 48 83.726 -9.147 6.700 1.00 0.00 C ATOM 710 O GLU A 48 83.478 -7.969 6.960 1.00 0.00 O ATOM 711 CB GLU A 48 83.581 -10.843 8.556 1.00 0.00 C ATOM 712 CG GLU A 48 83.365 -9.916 9.753 1.00 0.00 C ATOM 713 CD GLU A 48 81.939 -10.065 10.274 1.00 0.00 C ATOM 714 OE1 GLU A 48 81.253 -10.965 9.819 1.00 0.00 O1- ATOM 715 OE2 GLU A 48 81.553 -9.282 11.130 1.00 0.00 O ATOM 0 H GLU A 48 82.996 -12.258 6.648 1.00 0.00 H new ATOM 0 HA GLU A 48 81.918 -9.837 7.602 1.00 0.00 H new ATOM 0 HB2 GLU A 48 83.194 -11.837 8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 48 84.647 -10.954 8.358 1.00 0.00 H new ATOM 0 HG2 GLU A 48 84.077 -10.156 10.543 1.00 0.00 H new ATOM 0 HG3 GLU A 48 83.549 -8.882 9.461 1.00 0.00 H new ATOM 722 N ASN A 49 84.729 -9.512 5.900 1.00 0.00 N ATOM 723 CA ASN A 49 85.614 -8.517 5.275 1.00 0.00 C ATOM 724 C ASN A 49 84.843 -7.599 4.322 1.00 0.00 C ATOM 725 O ASN A 49 85.434 -6.749 3.654 1.00 0.00 O ATOM 726 CB ASN A 49 86.725 -9.242 4.503 1.00 0.00 C ATOM 727 CG ASN A 49 87.578 -10.080 5.460 1.00 0.00 C ATOM 728 OD1 ASN A 49 87.395 -11.293 5.550 1.00 0.00 O ATOM 729 ND2 ASN A 49 88.509 -9.505 6.180 1.00 0.00 N ATOM 0 H ASN A 49 84.951 -10.480 5.668 1.00 0.00 H new ATOM 0 HA ASN A 49 86.043 -7.899 6.063 1.00 0.00 H new ATOM 0 HB2 ASN A 49 86.287 -9.884 3.739 1.00 0.00 H new ATOM 0 HB3 ASN A 49 87.353 -8.515 3.987 1.00 0.00 H new ATOM 0 HD21 ASN A 49 89.081 -10.063 6.814 1.00 0.00 H new ATOM 0 HD22 ASN A 49 88.662 -8.499 6.107 1.00 0.00 H new ATOM 736 N ALA A 50 83.520 -7.772 4.285 1.00 0.00 N ATOM 737 CA ALA A 50 82.636 -6.969 3.438 1.00 0.00 C ATOM 738 C ALA A 50 81.251 -7.597 3.452 1.00 0.00 C ATOM 739 O ALA A 50 81.137 -8.787 3.217 1.00 0.00 O ATOM 740 CB ALA A 50 83.146 -6.921 1.996 1.00 0.00 C ATOM 0 H ALA A 50 83.031 -8.473 4.842 1.00 0.00 H new ATOM 0 HA ALA A 50 82.607 -5.951 3.826 1.00 0.00 H new ATOM 0 HB1 ALA A 50 82.469 -6.318 1.391 1.00 0.00 H new ATOM 0 HB2 ALA A 50 84.142 -6.479 1.977 1.00 0.00 H new ATOM 0 HB3 ALA A 50 83.190 -7.932 1.592 1.00 0.00 H new ATOM 746 N GLU A 51 80.209 -6.797 3.688 1.00 0.00 N ATOM 747 CA GLU A 51 78.833 -7.309 3.704 1.00 0.00 C ATOM 748 C GLU A 51 77.878 -6.181 4.034 1.00 0.00 C ATOM 749 O GLU A 51 78.224 -5.286 4.818 1.00 0.00 O ATOM 750 CB GLU A 51 78.667 -8.413 4.760 1.00 0.00 C ATOM 751 CG GLU A 51 77.200 -8.862 4.818 1.00 0.00 C ATOM 752 CD GLU A 51 77.077 -10.105 5.690 1.00 0.00 C ATOM 753 OE1 GLU A 51 77.638 -10.102 6.775 1.00 0.00 O1- ATOM 754 OE2 GLU A 51 76.425 -11.042 5.263 1.00 0.00 O ATOM 0 H GLU A 51 80.289 -5.797 3.870 1.00 0.00 H new ATOM 0 HA GLU A 51 78.614 -7.722 2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 51 79.307 -9.261 4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 51 78.983 -8.045 5.736 1.00 0.00 H new ATOM 0 HG2 GLU A 51 76.580 -8.061 5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 51 76.834 -9.073 3.813 1.00 0.00 H new ATOM 761 N VAL A 52 76.674 -6.195 3.462 1.00 0.00 N ATOM 762 CA VAL A 52 75.717 -5.141 3.755 1.00 0.00 C ATOM 763 C VAL A 52 74.996 -5.437 5.069 1.00 0.00 C ATOM 764 O VAL A 52 74.537 -6.558 5.297 1.00 0.00 O ATOM 765 CB VAL A 52 74.690 -5.054 2.621 1.00 0.00 C ATOM 766 CG1 VAL A 52 73.880 -3.763 2.742 1.00 0.00 C ATOM 767 CG2 VAL A 52 75.416 -5.078 1.282 1.00 0.00 C ATOM 0 H VAL A 52 76.348 -6.908 2.809 1.00 0.00 H new ATOM 0 HA VAL A 52 76.249 -4.194 3.845 1.00 0.00 H new ATOM 0 HB VAL A 52 74.011 -5.904 2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 52 73.153 -3.712 1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 52 73.358 -3.750 3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 52 74.551 -2.906 2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 52 74.689 -5.016 0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 52 76.098 -4.230 1.223 1.00 0.00 H new ATOM 0 HG23 VAL A 52 75.982 -6.005 1.191 1.00 0.00 H new ATOM 777 N VAL A 53 74.883 -4.420 5.911 1.00 0.00 N ATOM 778 CA VAL A 53 74.189 -4.540 7.196 1.00 0.00 C ATOM 779 C VAL A 53 73.206 -3.387 7.321 1.00 0.00 C ATOM 780 O VAL A 53 73.554 -2.249 7.034 1.00 0.00 O ATOM 781 CB VAL A 53 75.186 -4.501 8.368 1.00 0.00 C ATOM 782 CG1 VAL A 53 75.892 -5.849 8.488 1.00 0.00 C ATOM 783 CG2 VAL A 53 76.241 -3.416 8.139 1.00 0.00 C ATOM 0 H VAL A 53 75.265 -3.492 5.729 1.00 0.00 H new ATOM 0 HA VAL A 53 73.665 -5.495 7.233 1.00 0.00 H new ATOM 0 HB VAL A 53 74.633 -4.282 9.281 1.00 0.00 H new ATOM 0 HG11 VAL A 53 76.597 -5.818 9.319 1.00 0.00 H new ATOM 0 HG12 VAL A 53 75.154 -6.631 8.667 1.00 0.00 H new ATOM 0 HG13 VAL A 53 76.429 -6.062 7.564 1.00 0.00 H new ATOM 0 HG21 VAL A 53 76.937 -3.403 8.977 1.00 0.00 H new ATOM 0 HG22 VAL A 53 76.785 -3.626 7.218 1.00 0.00 H new ATOM 0 HG23 VAL A 53 75.753 -2.445 8.058 1.00 0.00 H new ATOM 793 N PHE A 54 71.983 -3.666 7.754 1.00 0.00 N ATOM 794 CA PHE A 54 70.997 -2.599 7.900 1.00 0.00 C ATOM 795 C PHE A 54 69.930 -2.975 8.914 1.00 0.00 C ATOM 796 O PHE A 54 69.694 -4.156 9.177 1.00 0.00 O ATOM 797 CB PHE A 54 70.348 -2.287 6.552 1.00 0.00 C ATOM 798 CG PHE A 54 69.552 -3.472 6.060 1.00 0.00 C ATOM 799 CD1 PHE A 54 70.156 -4.463 5.272 1.00 0.00 C ATOM 800 CD2 PHE A 54 68.195 -3.564 6.379 1.00 0.00 C ATOM 801 CE1 PHE A 54 69.392 -5.544 4.804 1.00 0.00 C ATOM 802 CE2 PHE A 54 67.435 -4.641 5.918 1.00 0.00 C ATOM 803 CZ PHE A 54 68.031 -5.631 5.129 1.00 0.00 C ATOM 0 H PHE A 54 71.654 -4.598 8.005 1.00 0.00 H new ATOM 0 HA PHE A 54 71.515 -1.711 8.261 1.00 0.00 H new ATOM 0 HB2 PHE A 54 69.696 -1.419 6.648 1.00 0.00 H new ATOM 0 HB3 PHE A 54 71.116 -2.030 5.823 1.00 0.00 H new ATOM 0 HD1 PHE A 54 71.205 -4.395 5.026 1.00 0.00 H new ATOM 0 HD2 PHE A 54 67.732 -2.799 6.985 1.00 0.00 H new ATOM 0 HE1 PHE A 54 69.852 -6.308 4.194 1.00 0.00 H new ATOM 0 HE2 PHE A 54 66.387 -4.710 6.170 1.00 0.00 H new ATOM 0 HZ PHE A 54 67.442 -6.462 4.770 1.00 0.00 H new ATOM 813 N PHE A 55 69.308 -1.957 9.507 1.00 0.00 N ATOM 814 CA PHE A 55 68.284 -2.169 10.527 1.00 0.00 C ATOM 815 C PHE A 55 67.074 -1.274 10.273 1.00 0.00 C ATOM 816 O PHE A 55 67.167 -0.286 9.547 1.00 0.00 O ATOM 817 CB PHE A 55 68.879 -1.842 11.895 1.00 0.00 C ATOM 818 CG PHE A 55 70.201 -2.565 12.049 1.00 0.00 C ATOM 819 CD1 PHE A 55 70.220 -3.940 12.302 1.00 0.00 C ATOM 820 CD2 PHE A 55 71.408 -1.859 11.936 1.00 0.00 C ATOM 821 CE1 PHE A 55 71.442 -4.611 12.441 1.00 0.00 C ATOM 822 CE2 PHE A 55 72.630 -2.530 12.075 1.00 0.00 C ATOM 823 CZ PHE A 55 72.646 -3.907 12.329 1.00 0.00 C ATOM 0 H PHE A 55 69.496 -0.977 9.298 1.00 0.00 H new ATOM 0 HA PHE A 55 67.957 -3.208 10.493 1.00 0.00 H new ATOM 0 HB2 PHE A 55 69.026 -0.766 11.993 1.00 0.00 H new ATOM 0 HB3 PHE A 55 68.192 -2.144 12.685 1.00 0.00 H new ATOM 0 HD1 PHE A 55 69.292 -4.485 12.390 1.00 0.00 H new ATOM 0 HD2 PHE A 55 71.395 -0.797 11.742 1.00 0.00 H new ATOM 0 HE1 PHE A 55 71.455 -5.673 12.635 1.00 0.00 H new ATOM 0 HE2 PHE A 55 73.559 -1.986 11.986 1.00 0.00 H new ATOM 0 HZ PHE A 55 73.587 -4.425 12.438 1.00 0.00 H new ATOM 833 N GLU A 56 65.945 -1.642 10.874 1.00 0.00 N ATOM 834 CA GLU A 56 64.697 -0.892 10.726 1.00 0.00 C ATOM 835 C GLU A 56 64.060 -1.215 9.374 1.00 0.00 C ATOM 836 O GLU A 56 63.342 -0.403 8.792 1.00 0.00 O ATOM 837 CB GLU A 56 64.935 0.621 10.871 1.00 0.00 C ATOM 838 CG GLU A 56 63.611 1.335 11.202 1.00 0.00 C ATOM 839 CD GLU A 56 63.862 2.820 11.453 1.00 0.00 C ATOM 840 OE1 GLU A 56 64.964 3.266 11.186 1.00 0.00 O1- ATOM 841 OE2 GLU A 56 62.948 3.484 11.914 1.00 0.00 O ATOM 0 H GLU A 56 65.868 -2.463 11.474 1.00 0.00 H new ATOM 0 HA GLU A 56 64.015 -1.192 11.521 1.00 0.00 H new ATOM 0 HB2 GLU A 56 65.665 0.808 11.658 1.00 0.00 H new ATOM 0 HB3 GLU A 56 65.352 1.022 9.947 1.00 0.00 H new ATOM 0 HG2 GLU A 56 62.907 1.212 10.379 1.00 0.00 H new ATOM 0 HG3 GLU A 56 63.155 0.882 12.082 1.00 0.00 H new ATOM 848 N ASN A 57 64.326 -2.427 8.897 1.00 0.00 N ATOM 849 CA ASN A 57 63.779 -2.907 7.631 1.00 0.00 C ATOM 850 C ASN A 57 64.246 -2.088 6.420 1.00 0.00 C ATOM 851 O ASN A 57 63.528 -1.995 5.422 1.00 0.00 O ATOM 852 CB ASN A 57 62.251 -2.891 7.712 1.00 0.00 C ATOM 853 CG ASN A 57 61.806 -3.563 9.009 1.00 0.00 C ATOM 854 OD1 ASN A 57 60.836 -3.135 9.631 1.00 0.00 O ATOM 855 ND2 ASN A 57 62.468 -4.594 9.459 1.00 0.00 N ATOM 0 H ASN A 57 64.924 -3.102 9.374 1.00 0.00 H new ATOM 0 HA ASN A 57 64.150 -3.921 7.479 1.00 0.00 H new ATOM 0 HB2 ASN A 57 61.884 -1.865 7.676 1.00 0.00 H new ATOM 0 HB3 ASN A 57 61.825 -3.412 6.855 1.00 0.00 H new ATOM 0 HD21 ASN A 57 62.181 -5.045 10.327 1.00 0.00 H new ATOM 0 HD22 ASN A 57 63.273 -4.948 8.942 1.00 0.00 H new ATOM 862 N GLY A 58 65.463 -1.542 6.475 1.00 0.00 N ATOM 863 CA GLY A 58 66.010 -0.790 5.335 1.00 0.00 C ATOM 864 C GLY A 58 65.873 0.721 5.485 1.00 0.00 C ATOM 865 O GLY A 58 66.440 1.474 4.696 1.00 0.00 O ATOM 0 H GLY A 58 66.083 -1.603 7.282 1.00 0.00 H new ATOM 0 HA2 GLY A 58 67.064 -1.042 5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 58 65.501 -1.105 4.424 1.00 0.00 H new ATOM 869 N LEU A 59 65.140 1.179 6.486 1.00 0.00 N ATOM 870 CA LEU A 59 64.988 2.616 6.664 1.00 0.00 C ATOM 871 C LEU A 59 66.363 3.261 6.866 1.00 0.00 C ATOM 872 O LEU A 59 66.587 4.416 6.482 1.00 0.00 O ATOM 873 CB LEU A 59 64.083 2.921 7.865 1.00 0.00 C ATOM 874 CG LEU A 59 63.537 4.353 7.741 1.00 0.00 C ATOM 875 CD1 LEU A 59 62.474 4.445 6.619 1.00 0.00 C ATOM 876 CD2 LEU A 59 62.941 4.789 9.086 1.00 0.00 C ATOM 0 H LEU A 59 64.654 0.599 7.170 1.00 0.00 H new ATOM 0 HA LEU A 59 64.523 3.031 5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 59 63.260 2.208 7.904 1.00 0.00 H new ATOM 0 HB3 LEU A 59 64.643 2.813 8.794 1.00 0.00 H new ATOM 0 HG LEU A 59 64.356 5.022 7.476 1.00 0.00 H new ATOM 0 HD11 LEU A 59 62.104 5.468 6.552 1.00 0.00 H new ATOM 0 HD12 LEU A 59 62.923 4.158 5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 59 61.646 3.774 6.846 1.00 0.00 H new ATOM 0 HD21 LEU A 59 62.553 5.804 9.000 1.00 0.00 H new ATOM 0 HD22 LEU A 59 62.131 4.113 9.361 1.00 0.00 H new ATOM 0 HD23 LEU A 59 63.715 4.760 9.853 1.00 0.00 H new ATOM 888 N ARG A 60 67.285 2.482 7.448 1.00 0.00 N ATOM 889 CA ARG A 60 68.661 2.941 7.693 1.00 0.00 C ATOM 890 C ARG A 60 69.657 1.919 7.140 1.00 0.00 C ATOM 891 O ARG A 60 69.991 0.936 7.802 1.00 0.00 O ATOM 892 CB ARG A 60 68.889 3.119 9.198 1.00 0.00 C ATOM 893 CG ARG A 60 68.077 4.315 9.699 1.00 0.00 C ATOM 894 CD ARG A 60 68.268 4.465 11.210 1.00 0.00 C ATOM 895 NE ARG A 60 67.556 5.640 11.700 1.00 0.00 N ATOM 896 CZ ARG A 60 67.842 6.166 12.889 1.00 0.00 C ATOM 897 NH1 ARG A 60 68.389 5.426 13.815 1.00 0.00 N1+ ATOM 898 NH2 ARG A 60 67.589 7.423 13.125 1.00 0.00 N ATOM 0 H ARG A 60 67.103 1.528 7.759 1.00 0.00 H new ATOM 0 HA ARG A 60 68.811 3.897 7.191 1.00 0.00 H new ATOM 0 HB2 ARG A 60 68.592 2.216 9.731 1.00 0.00 H new ATOM 0 HB3 ARG A 60 69.949 3.275 9.400 1.00 0.00 H new ATOM 0 HG2 ARG A 60 68.396 5.224 9.189 1.00 0.00 H new ATOM 0 HG3 ARG A 60 67.021 4.174 9.467 1.00 0.00 H new ATOM 0 HD2 ARG A 60 67.903 3.573 11.719 1.00 0.00 H new ATOM 0 HD3 ARG A 60 69.330 4.553 11.442 1.00 0.00 H new ATOM 0 HE ARG A 60 66.829 6.064 11.124 1.00 0.00 H new ATOM 0 HH11 ARG A 60 68.597 4.445 13.627 1.00 0.00 H new ATOM 0 HH12 ARG A 60 68.608 5.829 14.726 1.00 0.00 H new ATOM 0 HH21 ARG A 60 67.172 8.004 12.398 1.00 0.00 H new ATOM 0 HH22 ARG A 60 67.809 7.825 14.036 1.00 0.00 H new ATOM 912 N HIS A 61 70.089 2.144 5.901 1.00 0.00 N ATOM 913 CA HIS A 61 71.011 1.226 5.226 1.00 0.00 C ATOM 914 C HIS A 61 72.479 1.529 5.541 1.00 0.00 C ATOM 915 O HIS A 61 72.989 2.598 5.207 1.00 0.00 O ATOM 916 CB HIS A 61 70.786 1.316 3.707 1.00 0.00 C ATOM 917 CG HIS A 61 69.556 0.531 3.318 1.00 0.00 C ATOM 918 ND1 HIS A 61 68.369 1.145 2.948 1.00 0.00 N ATOM 919 CD2 HIS A 61 69.319 -0.820 3.241 1.00 0.00 C ATOM 920 CE1 HIS A 61 67.481 0.172 2.668 1.00 0.00 C ATOM 921 NE2 HIS A 61 68.008 -1.044 2.830 1.00 0.00 N ATOM 0 H HIS A 61 69.817 2.953 5.342 1.00 0.00 H new ATOM 0 HA HIS A 61 70.802 0.221 5.592 1.00 0.00 H new ATOM 0 HB2 HIS A 61 70.671 2.358 3.410 1.00 0.00 H new ATOM 0 HB3 HIS A 61 71.657 0.928 3.179 1.00 0.00 H new ATOM 0 HD2 HIS A 61 70.041 -1.592 3.465 1.00 0.00 H new ATOM 0 HE1 HIS A 61 66.465 0.354 2.351 1.00 0.00 H new ATOM 0 HE2 HIS A 61 67.549 -1.943 2.684 1.00 0.00 H new ATOM 929 N LEU A 62 73.160 0.564 6.171 1.00 0.00 N ATOM 930 CA LEU A 62 74.583 0.711 6.515 1.00 0.00 C ATOM 931 C LEU A 62 75.407 -0.303 5.713 1.00 0.00 C ATOM 932 O LEU A 62 74.906 -1.367 5.364 1.00 0.00 O ATOM 933 CB LEU A 62 74.803 0.441 8.013 1.00 0.00 C ATOM 934 CG LEU A 62 74.274 1.610 8.857 1.00 0.00 C ATOM 935 CD1 LEU A 62 72.730 1.677 8.791 1.00 0.00 C ATOM 936 CD2 LEU A 62 74.737 1.426 10.315 1.00 0.00 C ATOM 0 H LEU A 62 72.751 -0.327 6.453 1.00 0.00 H new ATOM 0 HA LEU A 62 74.894 1.729 6.279 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.296 -0.480 8.300 1.00 0.00 H new ATOM 0 HB3 LEU A 62 75.865 0.295 8.209 1.00 0.00 H new ATOM 0 HG LEU A 62 74.669 2.546 8.461 1.00 0.00 H new ATOM 0 HD11 LEU A 62 72.376 2.512 9.396 1.00 0.00 H new ATOM 0 HD12 LEU A 62 72.416 1.819 7.757 1.00 0.00 H new ATOM 0 HD13 LEU A 62 72.309 0.747 9.174 1.00 0.00 H new ATOM 0 HD21 LEU A 62 74.366 2.252 10.922 1.00 0.00 H new ATOM 0 HD22 LEU A 62 74.347 0.486 10.705 1.00 0.00 H new ATOM 0 HD23 LEU A 62 75.826 1.410 10.352 1.00 0.00 H new ATOM 948 N LEU A 63 76.668 0.018 5.425 1.00 0.00 N ATOM 949 CA LEU A 63 77.534 -0.906 4.671 1.00 0.00 C ATOM 950 C LEU A 63 78.954 -0.857 5.244 1.00 0.00 C ATOM 951 O LEU A 63 79.593 0.197 5.207 1.00 0.00 O ATOM 952 CB LEU A 63 77.553 -0.506 3.184 1.00 0.00 C ATOM 953 CG LEU A 63 77.866 -1.731 2.297 1.00 0.00 C ATOM 954 CD1 LEU A 63 78.058 -1.296 0.822 1.00 0.00 C ATOM 955 CD2 LEU A 63 79.130 -2.443 2.800 1.00 0.00 C ATOM 0 H LEU A 63 77.113 0.895 5.695 1.00 0.00 H new ATOM 0 HA LEU A 63 77.146 -1.921 4.759 1.00 0.00 H new ATOM 0 HB2 LEU A 63 76.588 -0.083 2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.301 0.270 3.020 1.00 0.00 H new ATOM 0 HG LEU A 63 77.024 -2.421 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 63 78.278 -2.171 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 63 77.146 -0.821 0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 63 78.886 -0.590 0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 63 79.339 -3.305 2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 63 79.974 -1.754 2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 63 78.976 -2.777 3.826 1.00 0.00 H new ATOM 967 N LEU A 64 79.443 -1.972 5.815 1.00 0.00 N ATOM 968 CA LEU A 64 80.782 -1.978 6.430 1.00 0.00 C ATOM 969 C LEU A 64 81.808 -2.769 5.614 1.00 0.00 C ATOM 970 O LEU A 64 81.598 -3.940 5.286 1.00 0.00 O ATOM 971 CB LEU A 64 80.693 -2.604 7.826 1.00 0.00 C ATOM 972 CG LEU A 64 81.989 -2.312 8.620 1.00 0.00 C ATOM 973 CD1 LEU A 64 81.901 -0.928 9.294 1.00 0.00 C ATOM 974 CD2 LEU A 64 82.196 -3.399 9.687 1.00 0.00 C ATOM 0 H LEU A 64 78.945 -2.861 5.864 1.00 0.00 H new ATOM 0 HA LEU A 64 81.116 -0.941 6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 64 79.831 -2.202 8.359 1.00 0.00 H new ATOM 0 HB3 LEU A 64 80.543 -3.680 7.742 1.00 0.00 H new ATOM 0 HG LEU A 64 82.834 -2.314 7.932 1.00 0.00 H new ATOM 0 HD11 LEU A 64 82.819 -0.735 9.849 1.00 0.00 H new ATOM 0 HD12 LEU A 64 81.769 -0.160 8.532 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.052 -0.910 9.978 1.00 0.00 H new ATOM 0 HD21 LEU A 64 83.109 -3.192 10.245 1.00 0.00 H new ATOM 0 HD22 LEU A 64 81.347 -3.405 10.370 1.00 0.00 H new ATOM 0 HD23 LEU A 64 82.279 -4.372 9.203 1.00 0.00 H new ATOM 986 N LEU A 65 82.942 -2.111 5.336 1.00 0.00 N ATOM 987 CA LEU A 65 84.059 -2.718 4.599 1.00 0.00 C ATOM 988 C LEU A 65 85.351 -2.536 5.389 1.00 0.00 C ATOM 989 O LEU A 65 85.827 -1.409 5.526 1.00 0.00 O ATOM 990 CB LEU A 65 84.249 -2.016 3.250 1.00 0.00 C ATOM 991 CG LEU A 65 82.949 -2.039 2.448 1.00 0.00 C ATOM 992 CD1 LEU A 65 83.148 -1.294 1.124 1.00 0.00 C ATOM 993 CD2 LEU A 65 82.542 -3.488 2.161 1.00 0.00 C ATOM 0 H LEU A 65 83.111 -1.145 5.615 1.00 0.00 H new ATOM 0 HA LEU A 65 83.834 -3.774 4.451 1.00 0.00 H new ATOM 0 HB2 LEU A 65 84.566 -0.986 3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 65 85.041 -2.508 2.685 1.00 0.00 H new ATOM 0 HG LEU A 65 82.164 -1.551 3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 65 82.219 -1.312 0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 65 83.430 -0.261 1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 65 83.937 -1.779 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 65 81.614 -3.499 1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 65 83.328 -3.980 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 65 82.394 -4.018 3.102 1.00 0.00 H new ATOM 1005 N LYS A 66 85.917 -3.615 5.932 1.00 0.00 N ATOM 1006 CA LYS A 66 87.146 -3.514 6.726 1.00 0.00 C ATOM 1007 C LYS A 66 88.358 -4.015 5.939 1.00 0.00 C ATOM 1008 O LYS A 66 88.313 -4.127 4.714 1.00 0.00 O ATOM 1009 CB LYS A 66 86.996 -4.295 8.030 1.00 0.00 C ATOM 1010 CG LYS A 66 86.757 -5.772 7.742 1.00 0.00 C ATOM 1011 CD LYS A 66 86.673 -6.524 9.070 1.00 0.00 C ATOM 1012 CE LYS A 66 86.428 -8.003 8.794 1.00 0.00 C ATOM 1013 NZ LYS A 66 86.391 -8.748 10.079 1.00 0.00 N1+ ATOM 0 H LYS A 66 85.549 -4.562 5.839 1.00 0.00 H new ATOM 0 HA LYS A 66 87.312 -2.463 6.960 1.00 0.00 H new ATOM 0 HB2 LYS A 66 87.894 -4.177 8.637 1.00 0.00 H new ATOM 0 HB3 LYS A 66 86.165 -3.892 8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 66 85.835 -5.902 7.175 1.00 0.00 H new ATOM 0 HG3 LYS A 66 87.566 -6.173 7.131 1.00 0.00 H new ATOM 0 HD2 LYS A 66 87.597 -6.395 9.634 1.00 0.00 H new ATOM 0 HD3 LYS A 66 85.867 -6.118 9.681 1.00 0.00 H new ATOM 0 HE2 LYS A 66 85.487 -8.133 8.259 1.00 0.00 H new ATOM 0 HE3 LYS A 66 87.216 -8.400 8.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 86.224 -9.757 9.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 87.299 -8.634 10.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 85.624 -8.375 10.674 1.00 0.00 H new ATOM 1027 N ASN A 67 89.432 -4.338 6.658 1.00 0.00 N ATOM 1028 CA ASN A 67 90.644 -4.845 6.017 1.00 0.00 C ATOM 1029 C ASN A 67 90.947 -4.018 4.775 1.00 0.00 C ATOM 1030 O ASN A 67 91.200 -4.563 3.701 1.00 0.00 O ATOM 1031 CB ASN A 67 90.460 -6.306 5.607 1.00 0.00 C ATOM 1032 CG ASN A 67 91.799 -6.886 5.159 1.00 0.00 C ATOM 1033 OD1 ASN A 67 92.797 -6.168 5.108 1.00 0.00 O ATOM 1034 ND2 ASN A 67 91.882 -8.147 4.829 1.00 0.00 N ATOM 0 H ASN A 67 89.488 -4.259 7.673 1.00 0.00 H new ATOM 0 HA ASN A 67 91.469 -4.773 6.726 1.00 0.00 H new ATOM 0 HB2 ASN A 67 90.065 -6.882 6.444 1.00 0.00 H new ATOM 0 HB3 ASN A 67 89.732 -6.378 4.799 1.00 0.00 H new ATOM 0 HD21 ASN A 67 92.775 -8.538 4.529 1.00 0.00 H new ATOM 0 HD22 ASN A 67 91.054 -8.741 4.872 1.00 0.00 H new ATOM 1041 N LEU A 68 90.868 -2.706 4.916 1.00 0.00 N ATOM 1042 CA LEU A 68 91.082 -1.831 3.776 1.00 0.00 C ATOM 1043 C LEU A 68 92.462 -2.028 3.167 1.00 0.00 C ATOM 1044 O LEU A 68 93.436 -2.305 3.864 1.00 0.00 O ATOM 1045 CB LEU A 68 90.891 -0.368 4.171 1.00 0.00 C ATOM 1046 CG LEU A 68 89.499 -0.148 4.771 1.00 0.00 C ATOM 1047 CD1 LEU A 68 89.353 1.333 5.114 1.00 0.00 C ATOM 1048 CD2 LEU A 68 88.402 -0.545 3.768 1.00 0.00 C ATOM 0 H LEU A 68 90.661 -2.229 5.793 1.00 0.00 H new ATOM 0 HA LEU A 68 90.339 -2.096 3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 68 91.654 -0.078 4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 68 91.021 0.270 3.297 1.00 0.00 H new ATOM 0 HG LEU A 68 89.390 -0.766 5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 68 88.367 1.512 5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 68 90.120 1.617 5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 68 89.468 1.929 4.209 1.00 0.00 H new ATOM 0 HD21 LEU A 68 87.422 -0.380 4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 68 88.496 0.062 2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 68 88.510 -1.598 3.509 1.00 0.00 H new ATOM 1060 N ARG A 69 92.522 -1.874 1.846 1.00 0.00 N ATOM 1061 CA ARG A 69 93.768 -2.017 1.096 1.00 0.00 C ATOM 1062 C ARG A 69 93.778 -1.016 -0.058 1.00 0.00 C ATOM 1063 O ARG A 69 92.714 -0.615 -0.531 1.00 0.00 O ATOM 1064 CB ARG A 69 93.867 -3.447 0.536 1.00 0.00 C ATOM 1065 CG ARG A 69 94.478 -4.376 1.589 1.00 0.00 C ATOM 1066 CD ARG A 69 94.156 -5.830 1.253 1.00 0.00 C ATOM 1067 NE ARG A 69 92.714 -6.023 1.157 1.00 0.00 N ATOM 1068 CZ ARG A 69 92.209 -7.005 0.426 1.00 0.00 C ATOM 1069 NH1 ARG A 69 92.536 -8.242 0.688 1.00 0.00 N1+ ATOM 1070 NH2 ARG A 69 91.381 -6.734 -0.545 1.00 0.00 N ATOM 0 H ARG A 69 91.713 -1.648 1.268 1.00 0.00 H new ATOM 0 HA ARG A 69 94.616 -1.826 1.753 1.00 0.00 H new ATOM 0 HB2 ARG A 69 92.878 -3.805 0.252 1.00 0.00 H new ATOM 0 HB3 ARG A 69 94.479 -3.452 -0.366 1.00 0.00 H new ATOM 0 HG2 ARG A 69 95.558 -4.234 1.628 1.00 0.00 H new ATOM 0 HG3 ARG A 69 94.088 -4.127 2.576 1.00 0.00 H new ATOM 0 HD2 ARG A 69 94.630 -6.105 0.311 1.00 0.00 H new ATOM 0 HD3 ARG A 69 94.567 -6.487 2.020 1.00 0.00 H new ATOM 0 HE ARG A 69 92.087 -5.394 1.659 1.00 0.00 H new ATOM 0 HH11 ARG A 69 93.178 -8.449 1.453 1.00 0.00 H new ATOM 0 HH12 ARG A 69 92.149 -9.001 0.127 1.00 0.00 H new ATOM 0 HH21 ARG A 69 91.123 -5.767 -0.740 1.00 0.00 H new ATOM 0 HH22 ARG A 69 90.991 -7.489 -1.109 1.00 0.00 H new ATOM 1084 N PRO A 70 94.927 -0.631 -0.554 1.00 0.00 N ATOM 1085 CA PRO A 70 94.979 0.302 -1.705 1.00 0.00 C ATOM 1086 C PRO A 70 94.103 -0.260 -2.824 1.00 0.00 C ATOM 1087 O PRO A 70 93.390 0.471 -3.514 1.00 0.00 O ATOM 1088 CB PRO A 70 96.472 0.353 -2.114 1.00 0.00 C ATOM 1089 CG PRO A 70 97.219 -0.583 -1.188 1.00 0.00 C ATOM 1090 CD PRO A 70 96.258 -1.018 -0.071 1.00 0.00 C ATOM 0 HA PRO A 70 94.610 1.302 -1.477 1.00 0.00 H new ATOM 0 HB2 PRO A 70 96.597 0.048 -3.153 1.00 0.00 H new ATOM 0 HB3 PRO A 70 96.860 1.368 -2.031 1.00 0.00 H new ATOM 0 HG2 PRO A 70 97.582 -1.452 -1.737 1.00 0.00 H new ATOM 0 HG3 PRO A 70 98.092 -0.085 -0.766 1.00 0.00 H new ATOM 0 HD2 PRO A 70 96.318 -2.092 0.107 1.00 0.00 H new ATOM 0 HD3 PRO A 70 96.496 -0.525 0.871 1.00 0.00 H new ATOM 1098 N GLN A 71 94.167 -1.579 -2.971 1.00 0.00 N ATOM 1099 CA GLN A 71 93.390 -2.280 -3.985 1.00 0.00 C ATOM 1100 C GLN A 71 91.912 -1.904 -3.874 1.00 0.00 C ATOM 1101 O GLN A 71 91.286 -1.526 -4.866 1.00 0.00 O ATOM 1102 CB GLN A 71 93.565 -3.790 -3.781 1.00 0.00 C ATOM 1103 CG GLN A 71 92.706 -4.571 -4.783 1.00 0.00 C ATOM 1104 CD GLN A 71 93.032 -6.061 -4.682 1.00 0.00 C ATOM 1105 OE1 GLN A 71 94.100 -6.428 -4.196 1.00 0.00 O ATOM 1106 NE2 GLN A 71 92.170 -6.947 -5.106 1.00 0.00 N ATOM 0 H GLN A 71 94.752 -2.186 -2.397 1.00 0.00 H new ATOM 0 HA GLN A 71 93.741 -1.997 -4.977 1.00 0.00 H new ATOM 0 HB2 GLN A 71 94.614 -4.060 -3.904 1.00 0.00 H new ATOM 0 HB3 GLN A 71 93.283 -4.060 -2.763 1.00 0.00 H new ATOM 0 HG2 GLN A 71 91.648 -4.405 -4.579 1.00 0.00 H new ATOM 0 HG3 GLN A 71 92.895 -4.214 -5.796 1.00 0.00 H new ATOM 0 HE21 GLN A 71 91.284 -6.644 -5.509 1.00 0.00 H new ATOM 0 HE22 GLN A 71 92.384 -7.942 -5.034 1.00 0.00 H new ATOM 1115 N ASP A 72 91.343 -2.047 -2.675 1.00 0.00 N ATOM 1116 CA ASP A 72 89.927 -1.756 -2.453 1.00 0.00 C ATOM 1117 C ASP A 72 89.485 -0.439 -3.075 1.00 0.00 C ATOM 1118 O ASP A 72 88.387 -0.372 -3.628 1.00 0.00 O ATOM 1119 CB ASP A 72 89.646 -1.709 -0.951 1.00 0.00 C ATOM 1120 CG ASP A 72 88.148 -1.555 -0.698 1.00 0.00 C ATOM 1121 OD1 ASP A 72 87.384 -1.740 -1.629 1.00 0.00 O1- ATOM 1122 OD2 ASP A 72 87.789 -1.255 0.430 1.00 0.00 O ATOM 0 H ASP A 72 91.842 -2.363 -1.843 1.00 0.00 H new ATOM 0 HA ASP A 72 89.362 -2.553 -2.936 1.00 0.00 H new ATOM 0 HB2 ASP A 72 90.010 -2.621 -0.477 1.00 0.00 H new ATOM 0 HB3 ASP A 72 90.186 -0.877 -0.499 1.00 0.00 H new ATOM 1127 N SER A 73 90.297 0.618 -2.990 1.00 0.00 N ATOM 1128 CA SER A 73 89.895 1.903 -3.569 1.00 0.00 C ATOM 1129 C SER A 73 89.257 1.698 -4.931 1.00 0.00 C ATOM 1130 O SER A 73 89.937 1.361 -5.901 1.00 0.00 O ATOM 1131 CB SER A 73 91.106 2.818 -3.714 1.00 0.00 C ATOM 1132 OG SER A 73 91.612 3.139 -2.425 1.00 0.00 O ATOM 0 H SER A 73 91.212 0.613 -2.539 1.00 0.00 H new ATOM 0 HA SER A 73 89.169 2.364 -2.900 1.00 0.00 H new ATOM 0 HB2 SER A 73 91.877 2.327 -4.308 1.00 0.00 H new ATOM 0 HB3 SER A 73 90.826 3.728 -4.244 1.00 0.00 H new ATOM 0 HG SER A 73 92.592 3.130 -2.447 1.00 0.00 H new ATOM 1138 N CYS A 74 87.946 1.892 -4.992 1.00 0.00 N ATOM 1139 CA CYS A 74 87.217 1.711 -6.243 1.00 0.00 C ATOM 1140 C CYS A 74 85.935 2.529 -6.271 1.00 0.00 C ATOM 1141 O CYS A 74 85.717 3.417 -5.441 1.00 0.00 O ATOM 1142 CB CYS A 74 86.859 0.237 -6.427 1.00 0.00 C ATOM 1143 SG CYS A 74 88.353 -0.773 -6.294 1.00 0.00 S ATOM 0 H CYS A 74 87.369 2.172 -4.199 1.00 0.00 H new ATOM 0 HA CYS A 74 87.866 2.051 -7.050 1.00 0.00 H new ATOM 0 HB2 CYS A 74 86.134 -0.068 -5.673 1.00 0.00 H new ATOM 0 HB3 CYS A 74 86.391 0.085 -7.399 1.00 0.00 H new ATOM 0 HG CYS A 74 89.401 -0.004 -6.323 1.00 0.00 H new ATOM 1149 N ARG A 75 85.094 2.206 -7.248 1.00 0.00 N ATOM 1150 CA ARG A 75 83.820 2.882 -7.433 1.00 0.00 C ATOM 1151 C ARG A 75 82.743 2.303 -6.502 1.00 0.00 C ATOM 1152 O ARG A 75 82.463 1.106 -6.540 1.00 0.00 O ATOM 1153 CB ARG A 75 83.406 2.717 -8.913 1.00 0.00 C ATOM 1154 CG ARG A 75 81.921 3.045 -9.124 1.00 0.00 C ATOM 1155 CD ARG A 75 81.636 4.457 -8.635 1.00 0.00 C ATOM 1156 NE ARG A 75 82.544 5.400 -9.278 1.00 0.00 N ATOM 1157 CZ ARG A 75 82.239 5.962 -10.438 1.00 0.00 C ATOM 1158 NH1 ARG A 75 82.521 5.339 -11.550 1.00 0.00 N ATOM 1159 NH2 ARG A 75 81.645 7.123 -10.463 1.00 0.00 N1+ ATOM 0 H ARG A 75 85.278 1.470 -7.930 1.00 0.00 H new ATOM 0 HA ARG A 75 83.923 3.938 -7.183 1.00 0.00 H new ATOM 0 HB2 ARG A 75 84.016 3.370 -9.537 1.00 0.00 H new ATOM 0 HB3 ARG A 75 83.603 1.694 -9.235 1.00 0.00 H new ATOM 0 HG2 ARG A 75 81.665 2.956 -10.180 1.00 0.00 H new ATOM 0 HG3 ARG A 75 81.300 2.330 -8.584 1.00 0.00 H new ATOM 0 HD2 ARG A 75 80.603 4.726 -8.856 1.00 0.00 H new ATOM 0 HD3 ARG A 75 81.754 4.507 -7.553 1.00 0.00 H new ATOM 0 HE ARG A 75 83.429 5.631 -8.827 1.00 0.00 H new ATOM 0 HH11 ARG A 75 82.973 4.425 -11.522 1.00 0.00 H new ATOM 0 HH12 ARG A 75 82.289 5.766 -12.447 1.00 0.00 H new ATOM 0 HH21 ARG A 75 81.416 7.597 -9.590 1.00 0.00 H new ATOM 0 HH22 ARG A 75 81.410 7.556 -11.356 1.00 0.00 H new ATOM 1173 N VAL A 76 82.104 3.175 -5.707 1.00 0.00 N ATOM 1174 CA VAL A 76 81.016 2.757 -4.811 1.00 0.00 C ATOM 1175 C VAL A 76 79.688 3.333 -5.311 1.00 0.00 C ATOM 1176 O VAL A 76 79.483 4.546 -5.262 1.00 0.00 O ATOM 1177 CB VAL A 76 81.274 3.246 -3.381 1.00 0.00 C ATOM 1178 CG1 VAL A 76 80.104 2.846 -2.485 1.00 0.00 C ATOM 1179 CG2 VAL A 76 82.555 2.609 -2.837 1.00 0.00 C ATOM 0 H VAL A 76 82.321 4.171 -5.667 1.00 0.00 H new ATOM 0 HA VAL A 76 80.970 1.668 -4.807 1.00 0.00 H new ATOM 0 HB VAL A 76 81.380 4.331 -3.391 1.00 0.00 H new ATOM 0 HG11 VAL A 76 80.288 3.194 -1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 76 79.186 3.297 -2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 76 80.001 1.761 -2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 76 82.733 2.960 -1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 76 82.448 1.524 -2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 76 83.397 2.888 -3.470 1.00 0.00 H new ATOM 1189 N THR A 77 78.789 2.469 -5.800 1.00 0.00 N ATOM 1190 CA THR A 77 77.488 2.929 -6.318 1.00 0.00 C ATOM 1191 C THR A 77 76.330 2.146 -5.708 1.00 0.00 C ATOM 1192 O THR A 77 76.365 0.916 -5.609 1.00 0.00 O ATOM 1193 CB THR A 77 77.447 2.793 -7.840 1.00 0.00 C ATOM 1194 OG1 THR A 77 78.497 3.566 -8.406 1.00 0.00 O ATOM 1195 CG2 THR A 77 76.100 3.300 -8.359 1.00 0.00 C ATOM 0 H THR A 77 78.933 1.460 -5.849 1.00 0.00 H new ATOM 0 HA THR A 77 77.377 3.977 -6.038 1.00 0.00 H new ATOM 0 HB THR A 77 77.572 1.747 -8.120 1.00 0.00 H new ATOM 0 HG1 THR A 77 78.476 3.481 -9.382 1.00 0.00 H new ATOM 0 HG21 THR A 77 76.069 3.204 -9.444 1.00 0.00 H new ATOM 0 HG22 THR A 77 75.295 2.711 -7.919 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.975 4.347 -8.084 1.00 0.00 H new ATOM 1203 N PHE A 78 75.293 2.884 -5.323 1.00 0.00 N ATOM 1204 CA PHE A 78 74.085 2.303 -4.732 1.00 0.00 C ATOM 1205 C PHE A 78 72.872 2.757 -5.540 1.00 0.00 C ATOM 1206 O PHE A 78 72.585 3.950 -5.619 1.00 0.00 O ATOM 1207 CB PHE A 78 73.981 2.765 -3.274 1.00 0.00 C ATOM 1208 CG PHE A 78 72.643 2.384 -2.676 1.00 0.00 C ATOM 1209 CD1 PHE A 78 72.231 1.043 -2.671 1.00 0.00 C ATOM 1210 CD2 PHE A 78 71.818 3.368 -2.110 1.00 0.00 C ATOM 1211 CE1 PHE A 78 71.002 0.689 -2.101 1.00 0.00 C ATOM 1212 CE2 PHE A 78 70.593 3.010 -1.537 1.00 0.00 C ATOM 1213 CZ PHE A 78 70.185 1.672 -1.531 1.00 0.00 C ATOM 0 H PHE A 78 75.263 3.900 -5.410 1.00 0.00 H new ATOM 0 HA PHE A 78 74.126 1.214 -4.752 1.00 0.00 H new ATOM 0 HB2 PHE A 78 74.785 2.318 -2.689 1.00 0.00 H new ATOM 0 HB3 PHE A 78 74.112 3.846 -3.221 1.00 0.00 H new ATOM 0 HD1 PHE A 78 72.862 0.283 -3.107 1.00 0.00 H new ATOM 0 HD2 PHE A 78 72.129 4.402 -2.117 1.00 0.00 H new ATOM 0 HE1 PHE A 78 70.684 -0.343 -2.101 1.00 0.00 H new ATOM 0 HE2 PHE A 78 69.961 3.768 -1.098 1.00 0.00 H new ATOM 0 HZ PHE A 78 69.240 1.398 -1.087 1.00 0.00 H new ATOM 1223 N LEU A 79 72.175 1.802 -6.162 1.00 0.00 N ATOM 1224 CA LEU A 79 71.010 2.125 -7.002 1.00 0.00 C ATOM 1225 C LEU A 79 69.706 1.572 -6.426 1.00 0.00 C ATOM 1226 O LEU A 79 69.323 0.434 -6.696 1.00 0.00 O ATOM 1227 CB LEU A 79 71.237 1.561 -8.413 1.00 0.00 C ATOM 1228 CG LEU A 79 69.975 1.723 -9.278 1.00 0.00 C ATOM 1229 CD1 LEU A 79 69.457 3.159 -9.192 1.00 0.00 C ATOM 1230 CD2 LEU A 79 70.325 1.401 -10.731 1.00 0.00 C ATOM 0 H LEU A 79 72.391 0.807 -6.103 1.00 0.00 H new ATOM 0 HA LEU A 79 70.911 3.210 -7.035 1.00 0.00 H new ATOM 0 HB2 LEU A 79 72.074 2.075 -8.884 1.00 0.00 H new ATOM 0 HB3 LEU A 79 71.506 0.507 -8.349 1.00 0.00 H new ATOM 0 HG LEU A 79 69.202 1.045 -8.917 1.00 0.00 H new ATOM 0 HD11 LEU A 79 68.564 3.261 -9.808 1.00 0.00 H new ATOM 0 HD12 LEU A 79 69.213 3.396 -8.157 1.00 0.00 H new ATOM 0 HD13 LEU A 79 70.225 3.845 -9.550 1.00 0.00 H new ATOM 0 HD21 LEU A 79 69.437 1.513 -11.353 1.00 0.00 H new ATOM 0 HD22 LEU A 79 71.100 2.084 -11.079 1.00 0.00 H new ATOM 0 HD23 LEU A 79 70.689 0.376 -10.799 1.00 0.00 H new ATOM 1242 N ALA A 80 69.025 2.402 -5.636 1.00 0.00 N ATOM 1243 CA ALA A 80 67.748 2.020 -5.023 1.00 0.00 C ATOM 1244 C ALA A 80 66.606 2.794 -5.686 1.00 0.00 C ATOM 1245 O ALA A 80 66.346 3.950 -5.347 1.00 0.00 O ATOM 1246 CB ALA A 80 67.786 2.303 -3.506 1.00 0.00 C ATOM 0 H ALA A 80 69.335 3.346 -5.404 1.00 0.00 H new ATOM 0 HA ALA A 80 67.581 0.953 -5.171 1.00 0.00 H new ATOM 0 HB1 ALA A 80 66.834 2.017 -3.059 1.00 0.00 H new ATOM 0 HB2 ALA A 80 68.590 1.727 -3.048 1.00 0.00 H new ATOM 0 HB3 ALA A 80 67.961 3.366 -3.338 1.00 0.00 H new ATOM 1252 N GLY A 81 65.927 2.146 -6.626 1.00 0.00 N ATOM 1253 CA GLY A 81 64.816 2.782 -7.321 1.00 0.00 C ATOM 1254 C GLY A 81 65.275 4.071 -7.988 1.00 0.00 C ATOM 1255 O GLY A 81 66.471 4.298 -8.168 1.00 0.00 O ATOM 0 H GLY A 81 66.124 1.190 -6.922 1.00 0.00 H new ATOM 0 HA2 GLY A 81 64.410 2.102 -8.070 1.00 0.00 H new ATOM 0 HA3 GLY A 81 64.013 2.996 -6.616 1.00 0.00 H new ATOM 1259 N ASP A 82 64.318 4.909 -8.361 1.00 0.00 N ATOM 1260 CA ASP A 82 64.616 6.178 -9.019 1.00 0.00 C ATOM 1261 C ASP A 82 65.602 7.027 -8.213 1.00 0.00 C ATOM 1262 O ASP A 82 65.895 8.164 -8.583 1.00 0.00 O ATOM 1263 CB ASP A 82 63.304 6.949 -9.201 1.00 0.00 C ATOM 1264 CG ASP A 82 62.471 6.300 -10.302 1.00 0.00 C ATOM 1265 OD1 ASP A 82 62.989 5.422 -10.974 1.00 0.00 O1- ATOM 1266 OD2 ASP A 82 61.324 6.687 -10.458 1.00 0.00 O ATOM 0 H ASP A 82 63.323 4.734 -8.219 1.00 0.00 H new ATOM 0 HA ASP A 82 65.082 5.966 -9.981 1.00 0.00 H new ATOM 0 HB2 ASP A 82 62.744 6.958 -8.266 1.00 0.00 H new ATOM 0 HB3 ASP A 82 63.514 7.988 -9.456 1.00 0.00 H new ATOM 1271 N MET A 83 66.115 6.473 -7.118 1.00 0.00 N ATOM 1272 CA MET A 83 67.071 7.188 -6.273 1.00 0.00 C ATOM 1273 C MET A 83 68.467 6.582 -6.408 1.00 0.00 C ATOM 1274 O MET A 83 68.669 5.407 -6.103 1.00 0.00 O ATOM 1275 CB MET A 83 66.615 7.102 -4.820 1.00 0.00 C ATOM 1276 CG MET A 83 65.104 7.345 -4.747 1.00 0.00 C ATOM 1277 SD MET A 83 64.632 7.772 -3.056 1.00 0.00 S ATOM 1278 CE MET A 83 65.086 6.213 -2.266 1.00 0.00 C ATOM 0 H MET A 83 65.886 5.533 -6.794 1.00 0.00 H new ATOM 0 HA MET A 83 67.114 8.230 -6.590 1.00 0.00 H new ATOM 0 HB2 MET A 83 66.857 6.122 -4.408 1.00 0.00 H new ATOM 0 HB3 MET A 83 67.143 7.841 -4.217 1.00 0.00 H new ATOM 0 HG2 MET A 83 64.823 8.149 -5.427 1.00 0.00 H new ATOM 0 HG3 MET A 83 64.567 6.453 -5.070 1.00 0.00 H new ATOM 0 HE1 MET A 83 64.462 6.056 -1.386 1.00 0.00 H new ATOM 0 HE2 MET A 83 64.937 5.393 -2.968 1.00 0.00 H new ATOM 0 HE3 MET A 83 66.133 6.249 -1.966 1.00 0.00 H new ATOM 1288 N VAL A 84 69.433 7.389 -6.865 1.00 0.00 N ATOM 1289 CA VAL A 84 70.810 6.913 -7.035 1.00 0.00 C ATOM 1290 C VAL A 84 71.782 7.796 -6.261 1.00 0.00 C ATOM 1291 O VAL A 84 71.782 9.021 -6.387 1.00 0.00 O ATOM 1292 CB VAL A 84 71.180 6.909 -8.524 1.00 0.00 C ATOM 1293 CG1 VAL A 84 70.821 8.258 -9.149 1.00 0.00 C ATOM 1294 CG2 VAL A 84 72.683 6.645 -8.688 1.00 0.00 C ATOM 0 H VAL A 84 69.288 8.366 -7.121 1.00 0.00 H new ATOM 0 HA VAL A 84 70.878 5.898 -6.644 1.00 0.00 H new ATOM 0 HB VAL A 84 70.622 6.120 -9.028 1.00 0.00 H new ATOM 0 HG11 VAL A 84 71.085 8.251 -10.206 1.00 0.00 H new ATOM 0 HG12 VAL A 84 69.751 8.434 -9.044 1.00 0.00 H new ATOM 0 HG13 VAL A 84 71.371 9.051 -8.643 1.00 0.00 H new ATOM 0 HG21 VAL A 84 72.939 6.644 -9.748 1.00 0.00 H new ATOM 0 HG22 VAL A 84 73.247 7.427 -8.180 1.00 0.00 H new ATOM 0 HG23 VAL A 84 72.932 5.677 -8.253 1.00 0.00 H new ATOM 1304 N THR A 85 72.605 7.143 -5.450 1.00 0.00 N ATOM 1305 CA THR A 85 73.599 7.817 -4.622 1.00 0.00 C ATOM 1306 C THR A 85 74.958 7.164 -4.836 1.00 0.00 C ATOM 1307 O THR A 85 75.086 5.949 -4.698 1.00 0.00 O ATOM 1308 CB THR A 85 73.196 7.674 -3.153 1.00 0.00 C ATOM 1309 OG1 THR A 85 73.644 6.419 -2.676 1.00 0.00 O ATOM 1310 CG2 THR A 85 71.670 7.740 -3.027 1.00 0.00 C ATOM 0 H THR A 85 72.602 6.128 -5.347 1.00 0.00 H new ATOM 0 HA THR A 85 73.655 8.872 -4.892 1.00 0.00 H new ATOM 0 HB THR A 85 73.643 8.480 -2.572 1.00 0.00 H new ATOM 0 HG1 THR A 85 73.918 5.860 -3.433 1.00 0.00 H new ATOM 0 HG21 THR A 85 71.387 7.638 -1.979 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.315 8.698 -3.407 1.00 0.00 H new ATOM 0 HG23 THR A 85 71.222 6.931 -3.605 1.00 0.00 H new ATOM 1318 N SER A 86 75.974 7.955 -5.187 1.00 0.00 N ATOM 1319 CA SER A 86 77.307 7.390 -5.429 1.00 0.00 C ATOM 1320 C SER A 86 78.419 8.303 -4.930 1.00 0.00 C ATOM 1321 O SER A 86 78.356 9.524 -5.082 1.00 0.00 O ATOM 1322 CB SER A 86 77.492 7.176 -6.927 1.00 0.00 C ATOM 1323 OG SER A 86 76.349 6.516 -7.452 1.00 0.00 O ATOM 0 H SER A 86 75.906 8.965 -5.308 1.00 0.00 H new ATOM 0 HA SER A 86 77.370 6.449 -4.883 1.00 0.00 H new ATOM 0 HB2 SER A 86 77.635 8.134 -7.428 1.00 0.00 H new ATOM 0 HB3 SER A 86 78.387 6.582 -7.113 1.00 0.00 H new ATOM 0 HG SER A 86 76.443 6.421 -8.423 1.00 0.00 H new ATOM 1329 N ALA A 87 79.448 7.692 -4.343 1.00 0.00 N ATOM 1330 CA ALA A 87 80.593 8.436 -3.827 1.00 0.00 C ATOM 1331 C ALA A 87 81.878 7.648 -4.065 1.00 0.00 C ATOM 1332 O ALA A 87 81.853 6.426 -4.223 1.00 0.00 O ATOM 1333 CB ALA A 87 80.424 8.695 -2.330 1.00 0.00 C ATOM 0 H ALA A 87 79.510 6.682 -4.214 1.00 0.00 H new ATOM 0 HA ALA A 87 80.652 9.390 -4.350 1.00 0.00 H new ATOM 0 HB1 ALA A 87 81.285 9.251 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 87 79.517 9.275 -2.161 1.00 0.00 H new ATOM 0 HB3 ALA A 87 80.350 7.744 -1.802 1.00 0.00 H new ATOM 1339 N PHE A 88 82.992 8.361 -4.121 1.00 0.00 N ATOM 1340 CA PHE A 88 84.283 7.736 -4.368 1.00 0.00 C ATOM 1341 C PHE A 88 84.858 7.097 -3.096 1.00 0.00 C ATOM 1342 O PHE A 88 84.429 7.403 -1.979 1.00 0.00 O ATOM 1343 CB PHE A 88 85.256 8.795 -4.880 1.00 0.00 C ATOM 1344 CG PHE A 88 84.717 9.436 -6.145 1.00 0.00 C ATOM 1345 CD1 PHE A 88 84.676 8.708 -7.342 1.00 0.00 C ATOM 1346 CD2 PHE A 88 84.275 10.769 -6.125 1.00 0.00 C ATOM 1347 CE1 PHE A 88 84.197 9.312 -8.514 1.00 0.00 C ATOM 1348 CE2 PHE A 88 83.796 11.367 -7.294 1.00 0.00 C ATOM 1349 CZ PHE A 88 83.757 10.640 -8.490 1.00 0.00 C ATOM 0 H PHE A 88 83.029 9.373 -3.999 1.00 0.00 H new ATOM 0 HA PHE A 88 84.144 6.947 -5.107 1.00 0.00 H new ATOM 0 HB2 PHE A 88 85.411 9.556 -4.116 1.00 0.00 H new ATOM 0 HB3 PHE A 88 86.227 8.341 -5.079 1.00 0.00 H new ATOM 0 HD1 PHE A 88 85.013 7.682 -7.362 1.00 0.00 H new ATOM 0 HD2 PHE A 88 84.305 11.333 -5.205 1.00 0.00 H new ATOM 0 HE1 PHE A 88 84.168 8.751 -9.436 1.00 0.00 H new ATOM 0 HE2 PHE A 88 83.455 12.392 -7.275 1.00 0.00 H new ATOM 0 HZ PHE A 88 83.388 11.104 -9.393 1.00 0.00 H new ATOM 1359 N LEU A 89 85.870 6.236 -3.285 1.00 0.00 N ATOM 1360 CA LEU A 89 86.557 5.575 -2.165 1.00 0.00 C ATOM 1361 C LEU A 89 88.058 5.818 -2.299 1.00 0.00 C ATOM 1362 O LEU A 89 88.603 5.771 -3.400 1.00 0.00 O ATOM 1363 CB LEU A 89 86.250 4.069 -2.160 1.00 0.00 C ATOM 1364 CG LEU A 89 86.984 3.348 -1.014 1.00 0.00 C ATOM 1365 CD1 LEU A 89 86.587 3.945 0.344 1.00 0.00 C ATOM 1366 CD2 LEU A 89 86.596 1.864 -1.044 1.00 0.00 C ATOM 0 H LEU A 89 86.231 5.981 -4.204 1.00 0.00 H new ATOM 0 HA LEU A 89 86.204 5.989 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 89 85.176 3.916 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.546 3.633 -3.114 1.00 0.00 H new ATOM 0 HG LEU A 89 88.059 3.468 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 89 87.116 3.422 1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 89 86.850 5.003 0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.512 3.835 0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 89 87.108 1.338 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.518 1.767 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 89 86.886 1.431 -2.001 1.00 0.00 H new ATOM 1378 N THR A 90 88.728 6.095 -1.181 1.00 0.00 N ATOM 1379 CA THR A 90 90.172 6.359 -1.206 1.00 0.00 C ATOM 1380 C THR A 90 90.869 5.698 -0.021 1.00 0.00 C ATOM 1381 O THR A 90 90.511 5.928 1.134 1.00 0.00 O ATOM 1382 CB THR A 90 90.422 7.880 -1.172 1.00 0.00 C ATOM 1383 OG1 THR A 90 89.454 8.492 -0.331 1.00 0.00 O ATOM 1384 CG2 THR A 90 90.306 8.466 -2.583 1.00 0.00 C ATOM 0 H THR A 90 88.303 6.143 -0.255 1.00 0.00 H new ATOM 0 HA THR A 90 90.582 5.939 -2.124 1.00 0.00 H new ATOM 0 HB THR A 90 91.425 8.069 -0.789 1.00 0.00 H new ATOM 0 HG1 THR A 90 89.729 9.411 -0.131 1.00 0.00 H new ATOM 0 HG21 THR A 90 90.484 9.541 -2.546 1.00 0.00 H new ATOM 0 HG22 THR A 90 91.045 7.997 -3.233 1.00 0.00 H new ATOM 0 HG23 THR A 90 89.306 8.277 -2.974 1.00 0.00 H new ATOM 1392 N VAL A 91 91.885 4.892 -0.320 1.00 0.00 N ATOM 1393 CA VAL A 91 92.653 4.216 0.725 1.00 0.00 C ATOM 1394 C VAL A 91 94.146 4.324 0.434 1.00 0.00 C ATOM 1395 O VAL A 91 94.611 3.881 -0.616 1.00 0.00 O ATOM 1396 CB VAL A 91 92.242 2.742 0.773 1.00 0.00 C ATOM 1397 CG1 VAL A 91 93.198 1.956 1.680 1.00 0.00 C ATOM 1398 CG2 VAL A 91 90.813 2.640 1.306 1.00 0.00 C ATOM 0 H VAL A 91 92.195 4.691 -1.271 1.00 0.00 H new ATOM 0 HA VAL A 91 92.449 4.688 1.686 1.00 0.00 H new ATOM 0 HB VAL A 91 92.290 2.318 -0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 91 92.896 0.909 1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 91 94.213 2.031 1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 91 93.165 2.369 2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 91 90.512 1.593 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 91 90.767 3.067 2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 91 90.139 3.188 0.647 1.00 0.00 H new ATOM 1408 N ARG A 92 94.893 4.922 1.359 1.00 0.00 N ATOM 1409 CA ARG A 92 96.333 5.086 1.176 1.00 0.00 C ATOM 1410 C ARG A 92 97.071 3.832 1.603 1.00 0.00 C ATOM 1411 O ARG A 92 96.476 2.908 2.149 1.00 0.00 O ATOM 1412 CB ARG A 92 96.852 6.283 1.995 1.00 0.00 C ATOM 1413 CG ARG A 92 96.418 7.626 1.355 1.00 0.00 C ATOM 1414 CD ARG A 92 95.112 8.122 1.988 1.00 0.00 C ATOM 1415 NE ARG A 92 95.296 8.363 3.416 1.00 0.00 N ATOM 1416 CZ ARG A 92 95.970 9.422 3.867 1.00 0.00 C ATOM 1417 NH1 ARG A 92 96.383 10.346 3.041 1.00 0.00 N ATOM 1418 NH2 ARG A 92 96.223 9.534 5.143 1.00 0.00 N1+ ATOM 0 H ARG A 92 94.530 5.298 2.235 1.00 0.00 H new ATOM 0 HA ARG A 92 96.516 5.269 0.117 1.00 0.00 H new ATOM 0 HB2 ARG A 92 96.471 6.223 3.015 1.00 0.00 H new ATOM 0 HB3 ARG A 92 97.939 6.241 2.058 1.00 0.00 H new ATOM 0 HG2 ARG A 92 97.202 8.371 1.491 1.00 0.00 H new ATOM 0 HG3 ARG A 92 96.283 7.498 0.281 1.00 0.00 H new ATOM 0 HD2 ARG A 92 94.788 9.040 1.497 1.00 0.00 H new ATOM 0 HD3 ARG A 92 94.324 7.384 1.836 1.00 0.00 H new ATOM 0 HE ARG A 92 94.899 7.705 4.086 1.00 0.00 H new ATOM 0 HH11 ARG A 92 96.191 10.261 2.043 1.00 0.00 H new ATOM 0 HH12 ARG A 92 96.898 11.153 3.394 1.00 0.00 H new ATOM 0 HH21 ARG A 92 95.906 8.813 5.791 1.00 0.00 H new ATOM 0 HH22 ARG A 92 96.738 10.342 5.492 1.00 0.00 H new ATOM 1432 N GLY A 93 98.379 3.823 1.365 1.00 0.00 N ATOM 1433 CA GLY A 93 99.218 2.694 1.740 1.00 0.00 C ATOM 1434 C GLY A 93 99.669 2.830 3.192 1.00 0.00 C ATOM 1435 O GLY A 93 99.162 3.678 3.930 1.00 0.00 O ATOM 0 H GLY A 93 98.880 4.588 0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 93 98.667 1.763 1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 93 100.088 2.645 1.085 1.00 0.00 H new ATOM 1439 N GLY A 94 100.624 1.996 3.599 1.00 0.00 N ATOM 1440 CA GLY A 94 101.132 2.039 4.967 1.00 0.00 C ATOM 1441 C GLY A 94 102.504 1.371 5.065 1.00 0.00 C ATOM 1442 O GLY A 94 103.242 1.300 4.082 1.00 0.00 O ATOM 0 H GLY A 94 101.058 1.288 3.006 1.00 0.00 H new ATOM 0 HA2 GLY A 94 101.204 3.075 5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 94 100.431 1.538 5.635 1.00 0.00 H new ATOM 1446 N LEU A 95 102.839 0.880 6.260 1.00 0.00 N ATOM 1447 CA LEU A 95 104.125 0.211 6.490 1.00 0.00 C ATOM 1448 C LEU A 95 103.940 -0.959 7.456 1.00 0.00 C ATOM 1449 O LEU A 95 103.993 -0.792 8.675 1.00 0.00 O ATOM 1450 CB LEU A 95 105.132 1.216 7.061 1.00 0.00 C ATOM 1451 CG LEU A 95 106.476 0.536 7.363 1.00 0.00 C ATOM 1452 CD1 LEU A 95 107.044 -0.116 6.092 1.00 0.00 C ATOM 1453 CD2 LEU A 95 107.455 1.597 7.869 1.00 0.00 C ATOM 0 H LEU A 95 102.240 0.932 7.084 1.00 0.00 H new ATOM 0 HA LEU A 95 104.505 -0.175 5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 95 105.283 2.029 6.351 1.00 0.00 H new ATOM 0 HB3 LEU A 95 104.732 1.660 7.973 1.00 0.00 H new ATOM 0 HG LEU A 95 106.330 -0.238 8.116 1.00 0.00 H new ATOM 0 HD11 LEU A 95 107.996 -0.594 6.322 1.00 0.00 H new ATOM 0 HD12 LEU A 95 106.343 -0.864 5.722 1.00 0.00 H new ATOM 0 HD13 LEU A 95 107.196 0.647 5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 95 108.415 1.131 8.088 1.00 0.00 H new ATOM 0 HD22 LEU A 95 107.589 2.362 7.104 1.00 0.00 H new ATOM 0 HD23 LEU A 95 107.059 2.055 8.775 1.00 0.00 H new ATOM 1465 N GLU A 96 103.708 -2.143 6.896 1.00 0.00 N ATOM 1466 CA GLU A 96 103.500 -3.347 7.699 1.00 0.00 C ATOM 1467 C GLU A 96 104.831 -4.015 8.063 1.00 0.00 C ATOM 1468 O GLU A 96 105.707 -4.180 7.215 1.00 0.00 O ATOM 1469 CB GLU A 96 102.609 -4.329 6.921 1.00 0.00 C ATOM 1470 CG GLU A 96 103.289 -4.746 5.613 1.00 0.00 C ATOM 1471 CD GLU A 96 102.342 -5.627 4.805 1.00 0.00 C ATOM 1472 OE1 GLU A 96 101.185 -5.254 4.674 1.00 0.00 O ATOM 1473 OE2 GLU A 96 102.781 -6.661 4.332 1.00 0.00 O1- ATOM 0 H GLU A 96 103.659 -2.296 5.889 1.00 0.00 H new ATOM 0 HA GLU A 96 103.010 -3.061 8.630 1.00 0.00 H new ATOM 0 HB2 GLU A 96 102.409 -5.210 7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 96 101.647 -3.865 6.706 1.00 0.00 H new ATOM 0 HG2 GLU A 96 103.563 -3.863 5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 96 104.212 -5.286 5.826 1.00 0.00 H new ATOM 1480 N HIS A 97 104.965 -4.412 9.334 1.00 0.00 N ATOM 1481 CA HIS A 97 106.178 -5.088 9.819 1.00 0.00 C ATOM 1482 C HIS A 97 105.798 -6.420 10.456 1.00 0.00 C ATOM 1483 O HIS A 97 106.630 -7.097 11.060 1.00 0.00 O ATOM 1484 CB HIS A 97 106.921 -4.220 10.846 1.00 0.00 C ATOM 1485 CG HIS A 97 107.605 -3.078 10.144 1.00 0.00 C ATOM 1486 ND1 HIS A 97 108.769 -3.257 9.412 1.00 0.00 N ATOM 1487 CD2 HIS A 97 107.310 -1.737 10.056 1.00 0.00 C ATOM 1488 CE1 HIS A 97 109.127 -2.057 8.919 1.00 0.00 C ATOM 1489 NE2 HIS A 97 108.273 -1.096 9.280 1.00 0.00 N ATOM 0 H HIS A 97 104.248 -4.277 10.047 1.00 0.00 H new ATOM 0 HA HIS A 97 106.840 -5.257 8.970 1.00 0.00 H new ATOM 0 HB2 HIS A 97 106.220 -3.836 11.587 1.00 0.00 H new ATOM 0 HB3 HIS A 97 107.655 -4.822 11.382 1.00 0.00 H new ATOM 0 HD1 HIS A 97 109.264 -4.138 9.273 1.00 0.00 H new ATOM 0 HD2 HIS A 97 106.461 -1.255 10.518 1.00 0.00 H new ATOM 0 HE1 HIS A 97 110.000 -1.891 8.305 1.00 0.00 H new ATOM 1497 N HIS A 98 104.522 -6.784 10.312 1.00 0.00 N ATOM 1498 CA HIS A 98 104.000 -8.035 10.870 1.00 0.00 C ATOM 1499 C HIS A 98 103.513 -8.958 9.760 1.00 0.00 C ATOM 1500 O HIS A 98 102.858 -8.517 8.816 1.00 0.00 O ATOM 1501 CB HIS A 98 102.825 -7.732 11.798 1.00 0.00 C ATOM 1502 CG HIS A 98 103.299 -6.923 12.970 1.00 0.00 C ATOM 1503 ND1 HIS A 98 103.620 -7.507 14.183 1.00 0.00 N ATOM 1504 CD2 HIS A 98 103.499 -5.572 13.137 1.00 0.00 C ATOM 1505 CE1 HIS A 98 103.987 -6.523 15.022 1.00 0.00 C ATOM 1506 NE2 HIS A 98 103.933 -5.323 14.435 1.00 0.00 N ATOM 0 H HIS A 98 103.828 -6.228 9.812 1.00 0.00 H new ATOM 0 HA HIS A 98 104.804 -8.524 11.420 1.00 0.00 H new ATOM 0 HB2 HIS A 98 102.053 -7.186 11.256 1.00 0.00 H new ATOM 0 HB3 HIS A 98 102.374 -8.662 12.145 1.00 0.00 H new ATOM 0 HD2 HIS A 98 103.343 -4.820 12.377 1.00 0.00 H new ATOM 0 HE1 HIS A 98 104.289 -6.683 16.047 1.00 0.00 H new ATOM 0 HE2 HIS A 98 104.161 -4.419 14.850 1.00 0.00 H new ATOM 1514 N HIS A 99 103.822 -10.243 9.890 1.00 0.00 N ATOM 1515 CA HIS A 99 103.400 -11.234 8.905 1.00 0.00 C ATOM 1516 C HIS A 99 102.039 -11.803 9.284 1.00 0.00 C ATOM 1517 O HIS A 99 101.500 -11.492 10.347 1.00 0.00 O ATOM 1518 CB HIS A 99 104.423 -12.365 8.838 1.00 0.00 C ATOM 1519 CG HIS A 99 105.733 -11.825 8.335 1.00 0.00 C ATOM 1520 ND1 HIS A 99 105.968 -11.580 6.991 1.00 0.00 N ATOM 1521 CD2 HIS A 99 106.886 -11.468 8.988 1.00 0.00 C ATOM 1522 CE1 HIS A 99 107.219 -11.096 6.881 1.00 0.00 C ATOM 1523 NE2 HIS A 99 107.823 -11.008 8.068 1.00 0.00 N ATOM 0 H HIS A 99 104.363 -10.624 10.667 1.00 0.00 H new ATOM 0 HA HIS A 99 103.327 -10.751 7.930 1.00 0.00 H new ATOM 0 HB2 HIS A 99 104.555 -12.809 9.824 1.00 0.00 H new ATOM 0 HB3 HIS A 99 104.065 -13.155 8.178 1.00 0.00 H new ATOM 0 HD2 HIS A 99 107.042 -11.534 10.055 1.00 0.00 H new ATOM 0 HE1 HIS A 99 107.679 -10.813 5.945 1.00 0.00 H new ATOM 0 HE2 HIS A 99 108.768 -10.675 8.259 1.00 0.00 H new ATOM 1531 N HIS A 100 101.489 -12.647 8.411 1.00 0.00 N ATOM 1532 CA HIS A 100 100.188 -13.273 8.656 1.00 0.00 C ATOM 1533 C HIS A 100 100.321 -14.795 8.609 1.00 0.00 C ATOM 1534 O HIS A 100 100.744 -15.359 7.598 1.00 0.00 O ATOM 1535 CB HIS A 100 99.185 -12.816 7.598 1.00 0.00 C ATOM 1536 CG HIS A 100 97.822 -13.331 7.952 1.00 0.00 C ATOM 1537 ND1 HIS A 100 97.013 -12.701 8.885 1.00 0.00 N ATOM 1538 CD2 HIS A 100 97.105 -14.410 7.502 1.00 0.00 C ATOM 1539 CE1 HIS A 100 95.864 -13.398 8.961 1.00 0.00 C ATOM 1540 NE2 HIS A 100 95.868 -14.452 8.139 1.00 0.00 N ATOM 0 H HIS A 100 101.924 -12.914 7.528 1.00 0.00 H new ATOM 0 HA HIS A 100 99.835 -12.975 9.643 1.00 0.00 H new ATOM 0 HB2 HIS A 100 99.171 -11.728 7.540 1.00 0.00 H new ATOM 0 HB3 HIS A 100 99.482 -13.184 6.616 1.00 0.00 H new ATOM 0 HD2 HIS A 100 97.448 -15.120 6.764 1.00 0.00 H new ATOM 0 HE1 HIS A 100 95.039 -13.137 9.608 1.00 0.00 H new ATOM 0 HE2 HIS A 100 95.125 -15.139 8.007 1.00 0.00 H new ATOM 1548 N HIS A 101 99.965 -15.452 9.710 1.00 0.00 N ATOM 1549 CA HIS A 101 100.055 -16.909 9.788 1.00 0.00 C ATOM 1550 C HIS A 101 101.368 -17.402 9.177 1.00 0.00 C ATOM 1551 O HIS A 101 101.464 -18.537 8.709 1.00 0.00 O ATOM 1552 CB HIS A 101 98.871 -17.548 9.053 1.00 0.00 C ATOM 1553 CG HIS A 101 98.953 -19.043 9.176 1.00 0.00 C ATOM 1554 ND1 HIS A 101 98.610 -19.714 10.342 1.00 0.00 N ATOM 1555 CD2 HIS A 101 99.344 -20.012 8.285 1.00 0.00 C ATOM 1556 CE1 HIS A 101 98.800 -21.029 10.121 1.00 0.00 C ATOM 1557 NE2 HIS A 101 99.247 -21.266 8.882 1.00 0.00 N ATOM 0 H HIS A 101 99.614 -15.003 10.556 1.00 0.00 H new ATOM 0 HA HIS A 101 100.027 -17.199 10.838 1.00 0.00 H new ATOM 0 HB2 HIS A 101 97.932 -17.189 9.473 1.00 0.00 H new ATOM 0 HB3 HIS A 101 98.882 -17.258 8.002 1.00 0.00 H new ATOM 0 HD2 HIS A 101 99.677 -19.829 7.274 1.00 0.00 H new ATOM 0 HE1 HIS A 101 98.614 -21.799 10.855 1.00 0.00 H new ATOM 0 HE2 HIS A 101 99.469 -22.170 8.465 1.00 0.00 H new ATOM 1565 N HIS A 102 102.382 -16.542 9.202 1.00 0.00 N ATOM 1566 CA HIS A 102 103.696 -16.891 8.662 1.00 0.00 C ATOM 1567 C HIS A 102 103.576 -17.550 7.291 1.00 0.00 C ATOM 1568 O HIS A 102 104.601 -17.948 6.756 1.00 0.00 O ATOM 1569 CB HIS A 102 104.419 -17.841 9.615 1.00 0.00 C ATOM 1570 CG HIS A 102 104.503 -17.216 10.980 1.00 0.00 C ATOM 1571 ND1 HIS A 102 105.195 -16.040 11.220 1.00 0.00 N ATOM 1572 CD2 HIS A 102 103.982 -17.597 12.189 1.00 0.00 C ATOM 1573 CE1 HIS A 102 105.071 -15.757 12.531 1.00 0.00 C ATOM 1574 NE2 HIS A 102 104.341 -16.675 13.167 1.00 0.00 N ATOM 1575 OXT HIS A 102 102.469 -17.649 6.793 1.00 0.00 O ATOM 0 H HIS A 102 102.321 -15.600 9.589 1.00 0.00 H new ATOM 0 HA HIS A 102 104.266 -15.968 8.555 1.00 0.00 H new ATOM 0 HB2 HIS A 102 103.888 -18.791 9.671 1.00 0.00 H new ATOM 0 HB3 HIS A 102 105.420 -18.057 9.240 1.00 0.00 H new ATOM 0 HD2 HIS A 102 103.383 -18.480 12.357 1.00 0.00 H new ATOM 0 HE1 HIS A 102 105.509 -14.893 13.009 1.00 0.00 H new ATOM 0 HE2 HIS A 102 104.098 -16.696 14.157 1.00 0.00 H new TER 1583 HIS A 102