USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 670 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 52 SER OG : rot 180:sc= 0.0142 USER MOD Set 1.2: A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 75 TYR OH : rot -164:sc= 0.0121 USER MOD Set 2.1: A 17 HIS : no HE2:sc= 0.587 K(o=1.4,f=-3.8!) USER MOD Set 2.2: A 67 TYR OH : rot -42:sc= 0.764 USER MOD Set 3.1: A 44 ASN : amide:sc= -0.451 K(o=-1.4,f=-8.7!) USER MOD Set 3.2: A 47 GLN : amide:sc= -0.939 X(o=-1.4,f=-1.7) USER MOD Set 4.1: A 40 HIS : no HE2:sc= -0.966! C(o=-0.8!,f=-5.9!) USER MOD Set 4.2: A 43 SER OG : rot 81:sc= 0.17 USER MOD Set 5.1: A 35 THR OG1 : rot 180:sc= -0.376 USER MOD Set 5.2: A 38 GLN : amide:sc= -0.337 K(o=-0.71,f=-1.7!) USER MOD Set 6.1: A 15 ASN : amide:sc= 0.00176 K(o=-0.8,f=-2) USER MOD Set 6.2: A 22 GLN : amide:sc= -0.805 K(o=-0.8,f=-2) USER MOD Single : A 21 TYR OH : rot 179:sc= -0.897! USER MOD Single : A 23 GLN : amide:sc= 0.441 K(o=0.44,f=-3.9!) USER MOD Single : A 30 GLN : amide:sc= -1.2 K(o=-1.2,f=-5!) USER MOD Single : A 33 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 60 HIS : no HE2:sc= 0.749 K(o=0.75,f=-4.1!) USER MOD Single : A 64 LYS NZ :NH3+ 136:sc= -1.14 (180deg=-2.03!) USER MOD Single : A 65 ASN : amide:sc= 0.848 K(o=0.85,f=-1) USER MOD Single : A 70 THR OG1 : rot -54:sc= 0.76 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 84 ASN : amide:sc= 0.107 K(o=0.11,f=-2.3!) USER MOD Single : A 85 GLN : amide:sc= -0.931 K(o=-0.93,f=-1.6!) USER MOD Single : A 87 MET CE :methyl -163:sc= -2.08 (180deg=-3.28!) USER MOD Single : A 89 SER OG : rot 59:sc= 1.24 USER MOD Single : A 91 SER OG : rot -15:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 -3.371 2.390 -3.230 1.00 23.42 N ATOM 2 CA ASP A 14 -2.325 2.258 -4.248 1.00 52.42 C ATOM 3 C ASP A 14 -1.786 3.639 -4.532 1.00 34.21 C ATOM 4 O ASP A 14 -2.308 4.601 -3.980 1.00 61.03 O ATOM 5 CB ASP A 14 -2.907 1.607 -5.522 1.00 42.20 C ATOM 6 CG ASP A 14 -1.935 1.594 -6.686 1.00 41.11 C ATOM 7 OD1 ASP A 14 -2.169 2.317 -7.690 1.00 32.12 O ATOM 8 OD2 ASP A 14 -0.897 0.973 -6.574 1.00 61.24 O1- ATOM 0 HA ASP A 14 -1.517 1.615 -3.897 1.00 52.42 H new ATOM 0 HB2 ASP A 14 -3.205 0.583 -5.295 1.00 42.20 H new ATOM 0 HB3 ASP A 14 -3.809 2.144 -5.817 1.00 42.20 H new ATOM 13 N ASN A 15 -0.731 3.750 -5.315 1.00 20.30 N ATOM 14 CA ASN A 15 -0.237 5.044 -5.705 1.00 3.33 C ATOM 15 C ASN A 15 0.407 4.937 -7.093 1.00 31.21 C ATOM 16 O ASN A 15 1.275 5.708 -7.449 1.00 54.44 O ATOM 17 CB ASN A 15 0.753 5.598 -4.665 1.00 42.52 C ATOM 18 CG ASN A 15 0.785 7.136 -4.637 1.00 75.55 C ATOM 19 OD1 ASN A 15 0.533 7.808 -5.622 1.00 52.21 O ATOM 20 ND2 ASN A 15 1.087 7.697 -3.486 1.00 42.33 N ATOM 0 H ASN A 15 -0.205 2.960 -5.689 1.00 20.30 H new ATOM 0 HA ASN A 15 -1.068 5.747 -5.753 1.00 3.33 H new ATOM 0 HB2 ASN A 15 0.482 5.226 -3.677 1.00 42.52 H new ATOM 0 HB3 ASN A 15 1.752 5.222 -4.884 1.00 42.52 H new ATOM 0 HD21 ASN A 15 1.114 8.713 -3.405 1.00 42.33 H new ATOM 0 HD22 ASN A 15 1.295 7.115 -2.674 1.00 42.33 H new ATOM 27 N ARG A 16 -0.031 3.958 -7.892 1.00 62.42 N ATOM 28 CA ARG A 16 0.426 3.909 -9.243 1.00 33.14 C ATOM 29 C ARG A 16 -0.580 4.476 -10.242 1.00 21.05 C ATOM 30 O ARG A 16 -0.380 5.564 -10.741 1.00 72.34 O ATOM 31 CB ARG A 16 1.294 2.680 -9.664 1.00 22.03 C ATOM 32 CG ARG A 16 0.817 1.300 -9.256 1.00 10.01 C ATOM 33 CD ARG A 16 -0.443 0.900 -9.969 1.00 1.41 C ATOM 34 NE ARG A 16 -0.294 1.040 -11.440 1.00 43.34 N ATOM 35 CZ ARG A 16 -0.924 0.333 -12.410 1.00 32.51 C ATOM 36 NH1 ARG A 16 -1.756 -0.667 -12.125 1.00 72.13 N1+ ATOM 37 NH2 ARG A 16 -0.695 0.639 -13.669 1.00 4.13 N ATOM 0 H ARG A 16 -0.681 3.221 -7.619 1.00 62.42 H new ATOM 0 HA ARG A 16 1.236 4.637 -9.287 1.00 33.14 H new ATOM 0 HB2 ARG A 16 1.388 2.694 -10.750 1.00 22.03 H new ATOM 0 HB3 ARG A 16 2.295 2.822 -9.256 1.00 22.03 H new ATOM 0 HG2 ARG A 16 1.599 0.570 -9.467 1.00 10.01 H new ATOM 0 HG3 ARG A 16 0.645 1.281 -8.180 1.00 10.01 H new ATOM 0 HD2 ARG A 16 -0.692 -0.132 -9.722 1.00 1.41 H new ATOM 0 HD3 ARG A 16 -1.271 1.519 -9.624 1.00 1.41 H new ATOM 0 HE ARG A 16 0.361 1.754 -11.759 1.00 43.34 H new ATOM 0 HH11 ARG A 16 -1.935 -0.920 -11.153 1.00 72.13 H new ATOM 0 HH12 ARG A 16 -2.214 -1.179 -12.878 1.00 72.13 H new ATOM 0 HH21 ARG A 16 -0.053 1.397 -13.901 1.00 4.13 H new ATOM 0 HH22 ARG A 16 -1.160 0.118 -14.413 1.00 4.13 H new ATOM 51 N HIS A 17 -1.654 3.775 -10.543 1.00 25.51 N ATOM 52 CA HIS A 17 -2.741 4.397 -11.268 1.00 13.44 C ATOM 53 C HIS A 17 -3.575 5.210 -10.311 1.00 13.45 C ATOM 54 O HIS A 17 -4.142 6.225 -10.658 1.00 20.22 O ATOM 55 CB HIS A 17 -3.560 3.424 -12.130 1.00 35.11 C ATOM 56 CG HIS A 17 -3.020 3.300 -13.532 1.00 54.44 C ATOM 57 ND1 HIS A 17 -3.331 2.283 -14.406 1.00 62.32 N ATOM 58 CD2 HIS A 17 -2.209 4.144 -14.230 1.00 64.54 C ATOM 59 CE1 HIS A 17 -2.724 2.536 -15.571 1.00 73.40 C ATOM 60 NE2 HIS A 17 -2.026 3.655 -15.513 1.00 11.34 N ATOM 0 H HIS A 17 -1.796 2.794 -10.303 1.00 25.51 H new ATOM 0 HA HIS A 17 -2.310 5.071 -12.008 1.00 13.44 H new ATOM 0 HB2 HIS A 17 -3.565 2.442 -11.658 1.00 35.11 H new ATOM 0 HB3 HIS A 17 -4.595 3.763 -12.171 1.00 35.11 H new ATOM 0 HD1 HIS A 17 -3.921 1.477 -14.201 1.00 62.32 H new ATOM 0 HD2 HIS A 17 -1.776 5.054 -13.842 1.00 64.54 H new ATOM 0 HE1 HIS A 17 -2.796 1.906 -16.446 1.00 73.40 H new ATOM 68 N ALA A 18 -3.565 4.783 -9.055 1.00 13.24 N ATOM 69 CA ALA A 18 -4.236 5.500 -7.991 1.00 11.22 C ATOM 70 C ALA A 18 -3.569 6.864 -7.742 1.00 60.00 C ATOM 71 O ALA A 18 -4.094 7.702 -7.034 1.00 23.35 O ATOM 72 CB ALA A 18 -4.373 4.669 -6.733 1.00 11.24 C ATOM 0 H ALA A 18 -3.092 3.932 -8.751 1.00 13.24 H new ATOM 0 HA ALA A 18 -5.257 5.699 -8.317 1.00 11.22 H new ATOM 0 HB1 ALA A 18 -4.883 5.252 -5.966 1.00 11.24 H new ATOM 0 HB2 ALA A 18 -4.952 3.771 -6.951 1.00 11.24 H new ATOM 0 HB3 ALA A 18 -3.383 4.385 -6.375 1.00 11.24 H new ATOM 78 N ALA A 19 -2.359 7.046 -8.271 1.00 21.31 N ATOM 79 CA ALA A 19 -1.683 8.342 -8.227 1.00 44.45 C ATOM 80 C ALA A 19 -2.544 9.415 -8.925 1.00 24.34 C ATOM 81 O ALA A 19 -2.498 10.592 -8.561 1.00 43.21 O ATOM 82 CB ALA A 19 -0.317 8.263 -8.884 1.00 75.03 C ATOM 0 H ALA A 19 -1.826 6.311 -8.736 1.00 21.31 H new ATOM 0 HA ALA A 19 -1.546 8.619 -7.182 1.00 44.45 H new ATOM 0 HB1 ALA A 19 0.166 9.239 -8.839 1.00 75.03 H new ATOM 0 HB2 ALA A 19 0.297 7.530 -8.360 1.00 75.03 H new ATOM 0 HB3 ALA A 19 -0.431 7.963 -9.926 1.00 75.03 H new ATOM 88 N ASP A 20 -3.350 8.986 -9.911 1.00 65.31 N ATOM 89 CA ASP A 20 -4.290 9.875 -10.625 1.00 5.24 C ATOM 90 C ASP A 20 -5.400 10.285 -9.673 1.00 22.01 C ATOM 91 O ASP A 20 -5.854 11.427 -9.662 1.00 23.55 O ATOM 92 CB ASP A 20 -4.872 9.168 -11.858 1.00 0.11 C ATOM 93 CG ASP A 20 -5.913 9.993 -12.602 1.00 71.04 C ATOM 94 OD1 ASP A 20 -7.090 9.573 -12.652 1.00 24.35 O ATOM 95 OD2 ASP A 20 -5.562 11.050 -13.138 1.00 43.12 O1- ATOM 0 H ASP A 20 -3.371 8.019 -10.236 1.00 65.31 H new ATOM 0 HA ASP A 20 -3.759 10.763 -10.969 1.00 5.24 H new ATOM 0 HB2 ASP A 20 -4.060 8.922 -12.542 1.00 0.11 H new ATOM 0 HB3 ASP A 20 -5.323 8.226 -11.547 1.00 0.11 H new ATOM 100 N TYR A 21 -5.749 9.357 -8.782 1.00 21.34 N ATOM 101 CA TYR A 21 -6.752 9.572 -7.740 1.00 2.02 C ATOM 102 C TYR A 21 -6.309 10.700 -6.812 1.00 33.13 C ATOM 103 O TYR A 21 -7.124 11.344 -6.156 1.00 12.42 O ATOM 104 CB TYR A 21 -6.984 8.278 -6.936 1.00 63.41 C ATOM 105 CG TYR A 21 -8.003 8.392 -5.836 1.00 22.11 C ATOM 106 CD1 TYR A 21 -7.621 8.538 -4.508 1.00 62.20 C ATOM 107 CD2 TYR A 21 -9.350 8.367 -6.123 1.00 41.41 C ATOM 108 CE1 TYR A 21 -8.551 8.659 -3.532 1.00 3.23 C ATOM 109 CE2 TYR A 21 -10.284 8.486 -5.134 1.00 12.42 C ATOM 110 CZ TYR A 21 -9.881 8.635 -3.840 1.00 43.54 C ATOM 111 OH TYR A 21 -10.812 8.790 -2.843 1.00 52.42 O ATOM 0 H TYR A 21 -5.338 8.424 -8.764 1.00 21.34 H new ATOM 0 HA TYR A 21 -7.692 9.854 -8.215 1.00 2.02 H new ATOM 0 HB2 TYR A 21 -7.298 7.492 -7.623 1.00 63.41 H new ATOM 0 HB3 TYR A 21 -6.035 7.962 -6.502 1.00 63.41 H new ATOM 0 HD1 TYR A 21 -6.572 8.555 -4.252 1.00 62.20 H new ATOM 0 HD2 TYR A 21 -9.673 8.251 -7.147 1.00 41.41 H new ATOM 0 HE1 TYR A 21 -8.239 8.775 -2.504 1.00 3.23 H new ATOM 0 HE2 TYR A 21 -11.336 8.462 -5.375 1.00 12.42 H new ATOM 0 HH TYR A 21 -11.712 8.766 -3.229 1.00 52.42 H new ATOM 121 N GLN A 22 -5.016 10.953 -6.770 1.00 72.43 N ATOM 122 CA GLN A 22 -4.495 12.041 -5.989 1.00 44.50 C ATOM 123 C GLN A 22 -4.928 13.388 -6.552 1.00 73.21 C ATOM 124 O GLN A 22 -5.021 14.352 -5.819 1.00 31.22 O ATOM 125 CB GLN A 22 -2.993 11.947 -5.802 1.00 33.34 C ATOM 126 CG GLN A 22 -2.588 10.814 -4.874 1.00 62.00 C ATOM 127 CD GLN A 22 -1.091 10.690 -4.685 1.00 20.54 C ATOM 128 OE1 GLN A 22 -0.628 10.311 -3.609 1.00 34.03 O ATOM 129 NE2 GLN A 22 -0.334 10.962 -5.718 1.00 32.31 N ATOM 0 H GLN A 22 -4.310 10.414 -7.272 1.00 72.43 H new ATOM 0 HA GLN A 22 -4.928 11.958 -4.992 1.00 44.50 H new ATOM 0 HB2 GLN A 22 -2.518 11.804 -6.773 1.00 33.34 H new ATOM 0 HB3 GLN A 22 -2.621 12.890 -5.401 1.00 33.34 H new ATOM 0 HG2 GLN A 22 -3.057 10.967 -3.902 1.00 62.00 H new ATOM 0 HG3 GLN A 22 -2.975 9.875 -5.270 1.00 62.00 H new ATOM 0 HE21 GLN A 22 -0.757 11.274 -6.592 1.00 32.31 H new ATOM 0 HE22 GLN A 22 0.679 10.862 -5.648 1.00 32.31 H new ATOM 138 N GLN A 23 -5.245 13.432 -7.839 1.00 40.23 N ATOM 139 CA GLN A 23 -5.794 14.634 -8.433 1.00 72.43 C ATOM 140 C GLN A 23 -7.249 14.794 -8.072 1.00 14.15 C ATOM 141 O GLN A 23 -7.728 15.902 -7.878 1.00 73.33 O ATOM 142 CB GLN A 23 -5.530 14.731 -9.937 1.00 62.41 C ATOM 143 CG GLN A 23 -4.178 15.353 -10.208 1.00 74.40 C ATOM 144 CD GLN A 23 -4.148 16.777 -9.678 1.00 53.01 C ATOM 145 OE1 GLN A 23 -5.165 17.474 -9.702 1.00 54.51 O ATOM 146 NE2 GLN A 23 -3.033 17.191 -9.148 1.00 52.21 N ATOM 0 H GLN A 23 -5.131 12.651 -8.485 1.00 40.23 H new ATOM 0 HA GLN A 23 -5.262 15.483 -8.004 1.00 72.43 H new ATOM 0 HB2 GLN A 23 -5.574 13.737 -10.383 1.00 62.41 H new ATOM 0 HB3 GLN A 23 -6.311 15.327 -10.410 1.00 62.41 H new ATOM 0 HG2 GLN A 23 -3.395 14.762 -9.733 1.00 74.40 H new ATOM 0 HG3 GLN A 23 -3.975 15.350 -11.279 1.00 74.40 H new ATOM 0 HE21 GLN A 23 -2.213 16.585 -9.147 1.00 52.21 H new ATOM 0 HE22 GLN A 23 -2.980 18.121 -8.733 1.00 52.21 H new ATOM 155 N LEU A 24 -7.944 13.677 -7.935 1.00 0.54 N ATOM 156 CA LEU A 24 -9.300 13.695 -7.396 1.00 42.42 C ATOM 157 C LEU A 24 -9.215 14.227 -5.977 1.00 10.22 C ATOM 158 O LEU A 24 -9.967 15.102 -5.565 1.00 4.14 O ATOM 159 CB LEU A 24 -9.927 12.252 -7.434 1.00 2.01 C ATOM 160 CG LEU A 24 -11.309 12.021 -6.778 1.00 72.20 C ATOM 161 CD1 LEU A 24 -11.943 10.776 -7.352 1.00 50.41 C ATOM 162 CD2 LEU A 24 -11.193 11.837 -5.268 1.00 11.31 C ATOM 0 H LEU A 24 -7.598 12.751 -8.187 1.00 0.54 H new ATOM 0 HA LEU A 24 -9.949 14.335 -7.994 1.00 42.42 H new ATOM 0 HB2 LEU A 24 -10.004 11.953 -8.479 1.00 2.01 H new ATOM 0 HB3 LEU A 24 -9.219 11.572 -6.960 1.00 2.01 H new ATOM 0 HG LEU A 24 -11.917 12.902 -6.984 1.00 72.20 H new ATOM 0 HD11 LEU A 24 -12.916 10.616 -6.888 1.00 50.41 H new ATOM 0 HD12 LEU A 24 -12.069 10.895 -8.428 1.00 50.41 H new ATOM 0 HD13 LEU A 24 -11.302 9.917 -7.155 1.00 50.41 H new ATOM 0 HD21 LEU A 24 -12.184 11.677 -4.844 1.00 11.31 H new ATOM 0 HD22 LEU A 24 -10.563 10.973 -5.054 1.00 11.31 H new ATOM 0 HD23 LEU A 24 -10.748 12.729 -4.826 1.00 11.31 H new ATOM 174 N ARG A 25 -8.234 13.733 -5.274 1.00 72.33 N ATOM 175 CA ARG A 25 -8.024 14.057 -3.904 1.00 43.11 C ATOM 176 C ARG A 25 -7.607 15.503 -3.682 1.00 70.20 C ATOM 177 O ARG A 25 -8.026 16.101 -2.698 1.00 4.13 O ATOM 178 CB ARG A 25 -7.045 13.094 -3.286 1.00 71.11 C ATOM 179 CG ARG A 25 -6.872 13.294 -1.813 1.00 62.05 C ATOM 180 CD ARG A 25 -6.318 12.068 -1.190 1.00 65.11 C ATOM 181 NE ARG A 25 -4.905 11.776 -1.535 1.00 33.34 N ATOM 182 CZ ARG A 25 -4.244 10.674 -1.090 1.00 10.43 C ATOM 183 NH1 ARG A 25 -4.875 9.812 -0.322 1.00 2.42 N1+ ATOM 184 NH2 ARG A 25 -2.969 10.442 -1.425 1.00 20.32 N ATOM 0 H ARG A 25 -7.547 13.080 -5.652 1.00 72.33 H new ATOM 0 HA ARG A 25 -8.986 13.954 -3.401 1.00 43.11 H new ATOM 0 HB2 ARG A 25 -7.383 12.074 -3.471 1.00 71.11 H new ATOM 0 HB3 ARG A 25 -6.078 13.204 -3.777 1.00 71.11 H new ATOM 0 HG2 ARG A 25 -6.206 14.137 -1.629 1.00 62.05 H new ATOM 0 HG3 ARG A 25 -7.831 13.541 -1.357 1.00 62.05 H new ATOM 0 HD2 ARG A 25 -6.401 12.159 -0.107 1.00 65.11 H new ATOM 0 HD3 ARG A 25 -6.932 11.218 -1.486 1.00 65.11 H new ATOM 0 HE ARG A 25 -4.406 12.433 -2.134 1.00 33.34 H new ATOM 0 HH11 ARG A 25 -5.849 9.974 -0.067 1.00 2.42 H new ATOM 0 HH12 ARG A 25 -4.390 8.982 0.018 1.00 2.42 H new ATOM 0 HH21 ARG A 25 -2.472 11.099 -2.027 1.00 20.32 H new ATOM 0 HH22 ARG A 25 -2.494 9.608 -1.079 1.00 20.32 H new ATOM 198 N GLU A 26 -6.802 16.063 -4.589 1.00 0.15 N ATOM 199 CA GLU A 26 -6.376 17.449 -4.473 1.00 43.10 C ATOM 200 C GLU A 26 -7.623 18.342 -4.448 1.00 32.42 C ATOM 201 O GLU A 26 -7.709 19.292 -3.677 1.00 5.34 O ATOM 202 CB GLU A 26 -5.460 17.856 -5.641 1.00 21.41 C ATOM 203 CG GLU A 26 -4.642 19.114 -5.353 1.00 74.22 C ATOM 204 CD GLU A 26 -3.993 19.726 -6.589 1.00 33.23 C ATOM 205 OE1 GLU A 26 -3.121 19.095 -7.204 1.00 33.20 O ATOM 206 OE2 GLU A 26 -4.394 20.873 -6.963 1.00 61.01 O1- ATOM 0 H GLU A 26 -6.436 15.575 -5.407 1.00 0.15 H new ATOM 0 HA GLU A 26 -5.804 17.568 -3.553 1.00 43.10 H new ATOM 0 HB2 GLU A 26 -4.782 17.033 -5.866 1.00 21.41 H new ATOM 0 HB3 GLU A 26 -6.068 18.021 -6.531 1.00 21.41 H new ATOM 0 HG2 GLU A 26 -5.289 19.858 -4.889 1.00 74.22 H new ATOM 0 HG3 GLU A 26 -3.864 18.872 -4.629 1.00 74.22 H new ATOM 213 N ARG A 27 -8.621 17.983 -5.260 1.00 1.22 N ATOM 214 CA ARG A 27 -9.871 18.721 -5.256 1.00 65.23 C ATOM 215 C ARG A 27 -10.748 18.311 -4.089 1.00 4.20 C ATOM 216 O ARG A 27 -11.454 19.126 -3.574 1.00 3.33 O ATOM 217 CB ARG A 27 -10.669 18.658 -6.586 1.00 33.30 C ATOM 218 CG ARG A 27 -10.044 19.406 -7.762 1.00 64.24 C ATOM 219 CD ARG A 27 -8.889 18.631 -8.335 1.00 21.05 C ATOM 220 NE ARG A 27 -7.956 19.438 -9.121 1.00 73.33 N ATOM 221 CZ ARG A 27 -6.908 20.056 -8.562 1.00 22.51 C ATOM 222 NH1 ARG A 27 -6.983 20.497 -7.314 1.00 21.44 N1+ ATOM 223 NH2 ARG A 27 -5.824 20.336 -9.264 1.00 11.23 N ATOM 0 H ARG A 27 -8.584 17.201 -5.914 1.00 1.22 H new ATOM 0 HA ARG A 27 -9.576 19.764 -5.142 1.00 65.23 H new ATOM 0 HB2 ARG A 27 -10.792 17.612 -6.867 1.00 33.30 H new ATOM 0 HB3 ARG A 27 -11.667 19.060 -6.411 1.00 33.30 H new ATOM 0 HG2 ARG A 27 -10.795 19.572 -8.534 1.00 64.24 H new ATOM 0 HG3 ARG A 27 -9.702 20.388 -7.434 1.00 64.24 H new ATOM 0 HD2 ARG A 27 -8.344 18.157 -7.519 1.00 21.05 H new ATOM 0 HD3 ARG A 27 -9.279 17.831 -8.964 1.00 21.05 H new ATOM 0 HE ARG A 27 -8.108 19.533 -10.125 1.00 73.33 H new ATOM 0 HH11 ARG A 27 -7.840 20.366 -6.777 1.00 21.44 H new ATOM 0 HH12 ARG A 27 -6.183 20.967 -6.890 1.00 21.44 H new ATOM 0 HH21 ARG A 27 -5.775 20.081 -10.250 1.00 11.23 H new ATOM 0 HH22 ARG A 27 -5.036 20.807 -8.820 1.00 11.23 H new ATOM 237 N LEU A 28 -10.673 17.045 -3.657 1.00 0.31 N ATOM 238 CA LEU A 28 -11.474 16.560 -2.527 1.00 53.22 C ATOM 239 C LEU A 28 -11.151 17.358 -1.252 1.00 2.22 C ATOM 240 O LEU A 28 -12.043 17.662 -0.451 1.00 50.20 O ATOM 241 CB LEU A 28 -11.283 15.027 -2.321 1.00 71.53 C ATOM 242 CG LEU A 28 -12.585 14.263 -2.007 1.00 42.23 C ATOM 243 CD1 LEU A 28 -12.364 12.773 -2.031 1.00 33.03 C ATOM 244 CD2 LEU A 28 -13.199 14.680 -0.674 1.00 11.00 C ATOM 0 H LEU A 28 -10.066 16.339 -4.073 1.00 0.31 H new ATOM 0 HA LEU A 28 -12.527 16.721 -2.756 1.00 53.22 H new ATOM 0 HB2 LEU A 28 -10.835 14.604 -3.220 1.00 71.53 H new ATOM 0 HB3 LEU A 28 -10.576 14.867 -1.507 1.00 71.53 H new ATOM 0 HG LEU A 28 -13.292 14.528 -2.793 1.00 42.23 H new ATOM 0 HD11 LEU A 28 -13.300 12.263 -1.806 1.00 33.03 H new ATOM 0 HD12 LEU A 28 -12.016 12.473 -3.019 1.00 33.03 H new ATOM 0 HD13 LEU A 28 -11.616 12.504 -1.285 1.00 33.03 H new ATOM 0 HD21 LEU A 28 -14.113 14.112 -0.501 1.00 11.00 H new ATOM 0 HD22 LEU A 28 -12.491 14.482 0.131 1.00 11.00 H new ATOM 0 HD23 LEU A 28 -13.432 15.745 -0.698 1.00 11.00 H new ATOM 256 N ILE A 29 -9.879 17.709 -1.100 1.00 22.31 N ATOM 257 CA ILE A 29 -9.413 18.569 -0.008 1.00 41.20 C ATOM 258 C ILE A 29 -10.159 19.922 -0.090 1.00 24.50 C ATOM 259 O ILE A 29 -10.740 20.406 0.883 1.00 41.55 O ATOM 260 CB ILE A 29 -7.867 18.815 -0.153 1.00 65.32 C ATOM 261 CG1 ILE A 29 -7.076 17.496 -0.042 1.00 40.30 C ATOM 262 CG2 ILE A 29 -7.355 19.819 0.871 1.00 72.01 C ATOM 263 CD1 ILE A 29 -6.946 16.963 1.355 1.00 72.22 C ATOM 0 H ILE A 29 -9.136 17.406 -1.730 1.00 22.31 H new ATOM 0 HA ILE A 29 -9.611 18.090 0.951 1.00 41.20 H new ATOM 0 HB ILE A 29 -7.708 19.234 -1.147 1.00 65.32 H new ATOM 0 HG12 ILE A 29 -7.563 16.742 -0.661 1.00 40.30 H new ATOM 0 HG13 ILE A 29 -6.078 17.650 -0.453 1.00 40.30 H new ATOM 0 HG21 ILE A 29 -6.283 19.961 0.737 1.00 72.01 H new ATOM 0 HG22 ILE A 29 -7.867 20.772 0.734 1.00 72.01 H new ATOM 0 HG23 ILE A 29 -7.549 19.444 1.876 1.00 72.01 H new ATOM 0 HD11 ILE A 29 -6.376 16.034 1.338 1.00 72.22 H new ATOM 0 HD12 ILE A 29 -6.430 17.695 1.977 1.00 72.22 H new ATOM 0 HD13 ILE A 29 -7.938 16.773 1.766 1.00 72.22 H new ATOM 275 N GLN A 30 -10.203 20.453 -1.293 1.00 61.12 N ATOM 276 CA GLN A 30 -10.799 21.747 -1.588 1.00 3.31 C ATOM 277 C GLN A 30 -12.337 21.716 -1.448 1.00 75.03 C ATOM 278 O GLN A 30 -12.924 22.626 -0.863 1.00 15.54 O ATOM 279 CB GLN A 30 -10.390 22.162 -3.009 1.00 44.32 C ATOM 280 CG GLN A 30 -8.877 22.270 -3.192 1.00 14.44 C ATOM 281 CD GLN A 30 -8.441 22.393 -4.648 1.00 70.21 C ATOM 282 OE1 GLN A 30 -9.087 21.878 -5.558 1.00 64.31 O ATOM 283 NE2 GLN A 30 -7.332 23.051 -4.873 1.00 12.14 N ATOM 0 H GLN A 30 -9.817 19.989 -2.116 1.00 61.12 H new ATOM 0 HA GLN A 30 -10.434 22.477 -0.866 1.00 3.31 H new ATOM 0 HB2 GLN A 30 -10.785 21.436 -3.720 1.00 44.32 H new ATOM 0 HB3 GLN A 30 -10.848 23.122 -3.246 1.00 44.32 H new ATOM 0 HG2 GLN A 30 -8.514 23.137 -2.639 1.00 14.44 H new ATOM 0 HG3 GLN A 30 -8.404 21.391 -2.754 1.00 14.44 H new ATOM 0 HE21 GLN A 30 -6.819 23.467 -4.096 1.00 12.14 H new ATOM 0 HE22 GLN A 30 -6.981 23.148 -5.826 1.00 12.14 H new ATOM 292 N GLU A 31 -12.952 20.643 -1.956 1.00 75.10 N ATOM 293 CA GLU A 31 -14.413 20.447 -1.978 1.00 53.30 C ATOM 294 C GLU A 31 -15.093 20.735 -0.652 1.00 44.24 C ATOM 295 O GLU A 31 -16.020 21.547 -0.591 1.00 33.20 O ATOM 296 CB GLU A 31 -14.745 19.023 -2.424 1.00 44.01 C ATOM 297 CG GLU A 31 -14.506 18.757 -3.903 1.00 44.31 C ATOM 298 CD GLU A 31 -15.572 19.371 -4.777 1.00 13.25 C ATOM 299 OE1 GLU A 31 -16.314 18.615 -5.438 1.00 1.34 O ATOM 300 OE2 GLU A 31 -15.772 20.602 -4.764 1.00 11.45 O1- ATOM 0 H GLU A 31 -12.440 19.866 -2.374 1.00 75.10 H new ATOM 0 HA GLU A 31 -14.802 21.174 -2.691 1.00 53.30 H new ATOM 0 HB2 GLU A 31 -14.147 18.323 -1.840 1.00 44.01 H new ATOM 0 HB3 GLU A 31 -15.791 18.818 -2.194 1.00 44.01 H new ATOM 0 HG2 GLU A 31 -13.532 19.155 -4.188 1.00 44.31 H new ATOM 0 HG3 GLU A 31 -14.474 17.681 -4.075 1.00 44.31 H new ATOM 307 N LEU A 32 -14.643 20.106 0.411 1.00 23.31 N ATOM 308 CA LEU A 32 -15.266 20.358 1.696 1.00 41.20 C ATOM 309 C LEU A 32 -14.423 21.266 2.577 1.00 20.15 C ATOM 310 O LEU A 32 -14.729 21.434 3.751 1.00 45.34 O ATOM 311 CB LEU A 32 -15.571 19.055 2.410 1.00 61.24 C ATOM 312 CG LEU A 32 -16.588 18.134 1.758 1.00 74.14 C ATOM 313 CD1 LEU A 32 -16.711 16.864 2.568 1.00 44.14 C ATOM 314 CD2 LEU A 32 -17.942 18.818 1.618 1.00 42.42 C ATOM 0 H LEU A 32 -13.873 19.437 0.418 1.00 23.31 H new ATOM 0 HA LEU A 32 -16.203 20.879 1.500 1.00 41.20 H new ATOM 0 HB2 LEU A 32 -14.638 18.504 2.522 1.00 61.24 H new ATOM 0 HB3 LEU A 32 -15.924 19.293 3.414 1.00 61.24 H new ATOM 0 HG LEU A 32 -16.242 17.887 0.754 1.00 74.14 H new ATOM 0 HD11 LEU A 32 -17.441 16.203 2.100 1.00 44.14 H new ATOM 0 HD12 LEU A 32 -15.743 16.364 2.610 1.00 44.14 H new ATOM 0 HD13 LEU A 32 -17.038 17.107 3.579 1.00 44.14 H new ATOM 0 HD21 LEU A 32 -18.648 18.134 1.148 1.00 42.42 H new ATOM 0 HD22 LEU A 32 -18.311 19.100 2.604 1.00 42.42 H new ATOM 0 HD23 LEU A 32 -17.837 19.711 1.001 1.00 42.42 H new ATOM 326 N ASN A 33 -13.364 21.857 1.994 1.00 41.42 N ATOM 327 CA ASN A 33 -12.445 22.778 2.730 1.00 1.30 C ATOM 328 C ASN A 33 -11.745 22.042 3.866 1.00 51.12 C ATOM 329 O ASN A 33 -11.325 22.636 4.861 1.00 42.44 O ATOM 330 CB ASN A 33 -13.182 24.041 3.279 1.00 2.03 C ATOM 331 CG ASN A 33 -13.580 25.084 2.223 1.00 31.32 C ATOM 332 OD1 ASN A 33 -13.841 24.669 1.004 1.00 25.52 O flip ATOM 333 ND2 ASN A 33 -13.648 26.273 2.513 1.00 61.03 N flip ATOM 0 H ASN A 33 -13.114 21.720 1.015 1.00 41.42 H new ATOM 0 HA ASN A 33 -11.700 23.123 2.012 1.00 1.30 H new ATOM 0 HB2 ASN A 33 -14.082 23.717 3.802 1.00 2.03 H new ATOM 0 HB3 ASN A 33 -12.541 24.523 4.017 1.00 2.03 H new ATOM 0 HD21 ASN A 33 -13.442 26.579 3.464 1.00 61.03 H new ATOM 0 HD22 ASN A 33 -13.910 26.957 1.803 1.00 61.03 H new ATOM 340 N LEU A 34 -11.567 20.757 3.673 1.00 40.21 N ATOM 341 CA LEU A 34 -10.958 19.907 4.657 1.00 43.21 C ATOM 342 C LEU A 34 -9.460 20.087 4.543 1.00 51.22 C ATOM 343 O LEU A 34 -8.918 20.010 3.462 1.00 45.33 O ATOM 344 CB LEU A 34 -11.325 18.439 4.348 1.00 55.13 C ATOM 345 CG LEU A 34 -12.825 18.114 4.284 1.00 63.03 C ATOM 346 CD1 LEU A 34 -13.092 16.783 3.558 1.00 43.44 C ATOM 347 CD2 LEU A 34 -13.425 18.062 5.675 1.00 41.23 C ATOM 0 H LEU A 34 -11.845 20.272 2.820 1.00 40.21 H new ATOM 0 HA LEU A 34 -11.301 20.157 5.661 1.00 43.21 H new ATOM 0 HB2 LEU A 34 -10.874 18.167 3.394 1.00 55.13 H new ATOM 0 HB3 LEU A 34 -10.869 17.805 5.108 1.00 55.13 H new ATOM 0 HG LEU A 34 -13.299 18.914 3.716 1.00 63.03 H new ATOM 0 HD11 LEU A 34 -14.165 16.590 3.534 1.00 43.44 H new ATOM 0 HD12 LEU A 34 -12.711 16.842 2.538 1.00 43.44 H new ATOM 0 HD13 LEU A 34 -12.589 15.973 4.087 1.00 43.44 H new ATOM 0 HD21 LEU A 34 -14.488 17.830 5.604 1.00 41.23 H new ATOM 0 HD22 LEU A 34 -12.923 17.290 6.259 1.00 41.23 H new ATOM 0 HD23 LEU A 34 -13.296 19.028 6.163 1.00 41.23 H new ATOM 359 N THR A 35 -8.798 20.330 5.630 1.00 22.32 N ATOM 360 CA THR A 35 -7.366 20.485 5.594 1.00 0.22 C ATOM 361 C THR A 35 -6.724 19.091 5.524 1.00 2.12 C ATOM 362 O THR A 35 -7.351 18.138 5.910 1.00 21.45 O ATOM 363 CB THR A 35 -6.882 21.259 6.845 1.00 61.03 C ATOM 364 OG1 THR A 35 -7.393 20.633 8.029 1.00 1.31 O ATOM 365 CG2 THR A 35 -7.346 22.709 6.798 1.00 24.11 C ATOM 0 H THR A 35 -9.219 20.426 6.554 1.00 22.32 H new ATOM 0 HA THR A 35 -7.072 21.060 4.716 1.00 0.22 H new ATOM 0 HB THR A 35 -5.792 21.242 6.859 1.00 61.03 H new ATOM 0 HG1 THR A 35 -7.084 21.124 8.818 1.00 1.31 H new ATOM 0 HG21 THR A 35 -6.994 23.233 7.687 1.00 24.11 H new ATOM 0 HG22 THR A 35 -6.941 23.192 5.908 1.00 24.11 H new ATOM 0 HG23 THR A 35 -8.435 22.742 6.765 1.00 24.11 H new ATOM 373 N PRO A 36 -5.480 18.934 5.036 1.00 32.04 N ATOM 374 CA PRO A 36 -4.824 17.594 4.951 1.00 30.35 C ATOM 375 C PRO A 36 -4.514 16.975 6.333 1.00 0.42 C ATOM 376 O PRO A 36 -3.984 15.882 6.428 1.00 44.12 O ATOM 377 CB PRO A 36 -3.537 17.872 4.171 1.00 61.14 C ATOM 378 CG PRO A 36 -3.276 19.331 4.363 1.00 14.51 C ATOM 379 CD PRO A 36 -4.623 19.995 4.478 1.00 5.45 C ATOM 0 HA PRO A 36 -5.475 16.861 4.474 1.00 30.35 H new ATOM 0 HB2 PRO A 36 -2.710 17.270 4.547 1.00 61.14 H new ATOM 0 HB3 PRO A 36 -3.655 17.628 3.115 1.00 61.14 H new ATOM 0 HG2 PRO A 36 -2.681 19.504 5.259 1.00 14.51 H new ATOM 0 HG3 PRO A 36 -2.713 19.738 3.523 1.00 14.51 H new ATOM 0 HD2 PRO A 36 -4.587 20.867 5.131 1.00 5.45 H new ATOM 0 HD3 PRO A 36 -4.986 20.337 3.509 1.00 5.45 H new ATOM 387 N GLN A 37 -4.823 17.709 7.380 1.00 62.23 N ATOM 388 CA GLN A 37 -4.679 17.225 8.738 1.00 3.35 C ATOM 389 C GLN A 37 -6.052 16.730 9.219 1.00 23.04 C ATOM 390 O GLN A 37 -6.171 15.992 10.187 1.00 41.02 O ATOM 391 CB GLN A 37 -4.176 18.365 9.632 1.00 0.32 C ATOM 392 CG GLN A 37 -3.892 17.969 11.075 1.00 5.52 C ATOM 393 CD GLN A 37 -3.443 19.140 11.922 1.00 74.04 C ATOM 394 OE1 GLN A 37 -2.828 20.076 11.436 1.00 14.54 O ATOM 395 NE2 GLN A 37 -3.751 19.096 13.192 1.00 1.30 N ATOM 0 H GLN A 37 -5.182 18.661 7.314 1.00 62.23 H new ATOM 0 HA GLN A 37 -3.959 16.408 8.783 1.00 3.35 H new ATOM 0 HB2 GLN A 37 -3.264 18.774 9.196 1.00 0.32 H new ATOM 0 HB3 GLN A 37 -4.917 19.164 9.629 1.00 0.32 H new ATOM 0 HG2 GLN A 37 -4.790 17.533 11.512 1.00 5.52 H new ATOM 0 HG3 GLN A 37 -3.122 17.197 11.091 1.00 5.52 H new ATOM 0 HE21 GLN A 37 -4.266 18.298 13.565 1.00 1.30 H new ATOM 0 HE22 GLN A 37 -3.476 19.859 13.810 1.00 1.30 H new ATOM 404 N GLN A 38 -7.072 17.159 8.505 1.00 33.01 N ATOM 405 CA GLN A 38 -8.437 16.845 8.790 1.00 61.42 C ATOM 406 C GLN A 38 -8.879 15.734 7.849 1.00 74.54 C ATOM 407 O GLN A 38 -9.608 14.829 8.227 1.00 4.50 O ATOM 408 CB GLN A 38 -9.250 18.101 8.520 1.00 35.21 C ATOM 409 CG GLN A 38 -10.665 18.083 8.999 1.00 34.14 C ATOM 410 CD GLN A 38 -11.340 19.411 8.730 1.00 23.43 C ATOM 411 OE1 GLN A 38 -10.683 20.449 8.679 1.00 31.00 O ATOM 412 NE2 GLN A 38 -12.637 19.402 8.583 1.00 20.21 N ATOM 0 H GLN A 38 -6.959 17.755 7.685 1.00 33.01 H new ATOM 0 HA GLN A 38 -8.571 16.518 9.821 1.00 61.42 H new ATOM 0 HB2 GLN A 38 -8.741 18.946 8.985 1.00 35.21 H new ATOM 0 HB3 GLN A 38 -9.254 18.283 7.445 1.00 35.21 H new ATOM 0 HG2 GLN A 38 -11.213 17.284 8.500 1.00 34.14 H new ATOM 0 HG3 GLN A 38 -10.689 17.867 10.067 1.00 34.14 H new ATOM 0 HE21 GLN A 38 -13.150 18.522 8.631 1.00 20.21 H new ATOM 0 HE22 GLN A 38 -13.138 20.275 8.420 1.00 20.21 H new ATOM 421 N LEU A 39 -8.430 15.831 6.615 1.00 24.41 N ATOM 422 CA LEU A 39 -8.754 14.876 5.617 1.00 4.24 C ATOM 423 C LEU A 39 -7.586 13.925 5.449 1.00 52.20 C ATOM 424 O LEU A 39 -6.629 14.210 4.721 1.00 53.22 O ATOM 425 CB LEU A 39 -9.088 15.553 4.248 1.00 13.14 C ATOM 426 CG LEU A 39 -10.014 14.766 3.270 1.00 50.44 C ATOM 427 CD1 LEU A 39 -10.166 15.485 1.944 1.00 65.34 C ATOM 428 CD2 LEU A 39 -9.542 13.356 3.034 1.00 75.12 C ATOM 0 H LEU A 39 -7.827 16.586 6.290 1.00 24.41 H new ATOM 0 HA LEU A 39 -9.644 14.334 5.938 1.00 4.24 H new ATOM 0 HB2 LEU A 39 -9.554 16.517 4.453 1.00 13.14 H new ATOM 0 HB3 LEU A 39 -8.149 15.756 3.734 1.00 13.14 H new ATOM 0 HG LEU A 39 -10.987 14.715 3.758 1.00 50.44 H new ATOM 0 HD11 LEU A 39 -10.818 14.907 1.289 1.00 65.34 H new ATOM 0 HD12 LEU A 39 -10.602 16.470 2.112 1.00 65.34 H new ATOM 0 HD13 LEU A 39 -9.188 15.596 1.476 1.00 65.34 H new ATOM 0 HD21 LEU A 39 -10.223 12.855 2.346 1.00 75.12 H new ATOM 0 HD22 LEU A 39 -8.541 13.375 2.604 1.00 75.12 H new ATOM 0 HD23 LEU A 39 -9.520 12.816 3.981 1.00 75.12 H new ATOM 440 N HIS A 40 -7.642 12.863 6.165 1.00 35.25 N ATOM 441 CA HIS A 40 -6.755 11.753 5.958 1.00 25.01 C ATOM 442 C HIS A 40 -7.574 10.729 5.183 1.00 12.32 C ATOM 443 O HIS A 40 -8.804 10.854 5.136 1.00 45.32 O ATOM 444 CB HIS A 40 -6.128 11.213 7.290 1.00 71.35 C ATOM 445 CG HIS A 40 -7.087 10.787 8.378 1.00 65.33 C ATOM 446 ND1 HIS A 40 -7.137 9.518 8.895 1.00 43.12 N ATOM 447 CD2 HIS A 40 -8.007 11.501 9.070 1.00 75.12 C ATOM 448 CE1 HIS A 40 -8.063 9.486 9.847 1.00 61.52 C ATOM 449 NE2 HIS A 40 -8.629 10.668 9.998 1.00 1.25 N ATOM 0 H HIS A 40 -8.310 12.727 6.924 1.00 35.25 H new ATOM 0 HA HIS A 40 -5.870 12.038 5.390 1.00 25.01 H new ATOM 0 HB2 HIS A 40 -5.494 10.361 7.045 1.00 71.35 H new ATOM 0 HB3 HIS A 40 -5.478 11.988 7.696 1.00 71.35 H new ATOM 0 HD1 HIS A 40 -6.560 8.731 8.598 1.00 43.12 H new ATOM 0 HD2 HIS A 40 -8.224 12.549 8.925 1.00 75.12 H new ATOM 0 HE1 HIS A 40 -8.319 8.608 10.422 1.00 61.52 H new ATOM 457 N GLU A 41 -6.985 9.743 4.573 1.00 15.04 N ATOM 458 CA GLU A 41 -7.788 8.941 3.677 1.00 20.34 C ATOM 459 C GLU A 41 -8.698 7.932 4.375 1.00 1.11 C ATOM 460 O GLU A 41 -9.674 7.440 3.796 1.00 40.35 O ATOM 461 CB GLU A 41 -7.018 8.401 2.457 1.00 35.52 C ATOM 462 CG GLU A 41 -5.802 7.529 2.693 1.00 50.11 C ATOM 463 CD GLU A 41 -5.161 7.171 1.357 1.00 4.42 C ATOM 464 OE1 GLU A 41 -5.762 6.395 0.590 1.00 22.23 O ATOM 465 OE2 GLU A 41 -4.089 7.736 1.016 1.00 44.45 O1- ATOM 0 H GLU A 41 -6.004 9.478 4.665 1.00 15.04 H new ATOM 0 HA GLU A 41 -8.496 9.644 3.238 1.00 20.34 H new ATOM 0 HB2 GLU A 41 -7.720 7.831 1.848 1.00 35.52 H new ATOM 0 HB3 GLU A 41 -6.701 9.257 1.861 1.00 35.52 H new ATOM 0 HG2 GLU A 41 -5.084 8.053 3.324 1.00 50.11 H new ATOM 0 HG3 GLU A 41 -6.090 6.622 3.224 1.00 50.11 H new ATOM 472 N GLU A 42 -8.430 7.701 5.622 1.00 31.31 N ATOM 473 CA GLU A 42 -9.224 6.815 6.444 1.00 73.42 C ATOM 474 C GLU A 42 -10.483 7.543 6.975 1.00 64.32 C ATOM 475 O GLU A 42 -11.295 6.953 7.685 1.00 13.44 O ATOM 476 CB GLU A 42 -8.403 6.267 7.640 1.00 5.00 C ATOM 477 CG GLU A 42 -6.951 5.863 7.328 1.00 72.44 C ATOM 478 CD GLU A 42 -6.016 7.066 7.286 1.00 35.43 C ATOM 479 OE1 GLU A 42 -5.842 7.669 6.210 1.00 62.40 O ATOM 480 OE2 GLU A 42 -5.534 7.469 8.347 1.00 22.33 O1- ATOM 0 H GLU A 42 -7.643 8.125 6.114 1.00 31.31 H new ATOM 0 HA GLU A 42 -9.529 5.977 5.817 1.00 73.42 H new ATOM 0 HB2 GLU A 42 -8.389 7.024 8.424 1.00 5.00 H new ATOM 0 HB3 GLU A 42 -8.923 5.399 8.045 1.00 5.00 H new ATOM 0 HG2 GLU A 42 -6.601 5.159 8.083 1.00 72.44 H new ATOM 0 HG3 GLU A 42 -6.918 5.345 6.369 1.00 72.44 H new ATOM 487 N SER A 43 -10.631 8.822 6.640 1.00 53.53 N ATOM 488 CA SER A 43 -11.785 9.593 7.064 1.00 43.52 C ATOM 489 C SER A 43 -13.056 9.133 6.351 1.00 71.20 C ATOM 490 O SER A 43 -13.053 8.885 5.125 1.00 45.44 O ATOM 491 CB SER A 43 -11.574 11.078 6.780 1.00 3.55 C ATOM 492 OG SER A 43 -10.423 11.567 7.419 1.00 12.23 O ATOM 0 H SER A 43 -9.961 9.343 6.074 1.00 53.53 H new ATOM 0 HA SER A 43 -11.900 9.434 8.136 1.00 43.52 H new ATOM 0 HB2 SER A 43 -11.489 11.235 5.705 1.00 3.55 H new ATOM 0 HB3 SER A 43 -12.445 11.641 7.116 1.00 3.55 H new ATOM 0 HG SER A 43 -9.631 11.333 6.891 1.00 12.23 H new ATOM 498 N ASN A 44 -14.130 9.003 7.113 1.00 2.42 N ATOM 499 CA ASN A 44 -15.426 8.696 6.549 1.00 61.00 C ATOM 500 C ASN A 44 -15.970 9.967 5.937 1.00 50.34 C ATOM 501 O ASN A 44 -16.391 10.882 6.645 1.00 5.22 O ATOM 502 CB ASN A 44 -16.401 8.137 7.612 1.00 63.41 C ATOM 503 CG ASN A 44 -17.780 7.730 7.043 1.00 44.31 C ATOM 504 OD1 ASN A 44 -18.282 8.301 6.071 1.00 43.03 O ATOM 505 ND2 ASN A 44 -18.407 6.768 7.666 1.00 72.34 N ATOM 0 H ASN A 44 -14.125 9.107 8.128 1.00 2.42 H new ATOM 0 HA ASN A 44 -15.320 7.918 5.793 1.00 61.00 H new ATOM 0 HB2 ASN A 44 -15.945 7.269 8.089 1.00 63.41 H new ATOM 0 HB3 ASN A 44 -16.546 8.888 8.389 1.00 63.41 H new ATOM 0 HD21 ASN A 44 -19.332 6.474 7.351 1.00 72.34 H new ATOM 0 HD22 ASN A 44 -17.972 6.311 8.467 1.00 72.34 H new ATOM 512 N LEU A 45 -15.945 10.019 4.636 1.00 10.14 N ATOM 513 CA LEU A 45 -16.334 11.199 3.891 1.00 11.10 C ATOM 514 C LEU A 45 -17.813 11.546 4.016 1.00 4.14 C ATOM 515 O LEU A 45 -18.179 12.705 3.902 1.00 43.01 O ATOM 516 CB LEU A 45 -15.900 11.080 2.439 1.00 73.24 C ATOM 517 CG LEU A 45 -14.383 11.080 2.205 1.00 52.11 C ATOM 518 CD1 LEU A 45 -14.079 10.783 0.768 1.00 22.44 C ATOM 519 CD2 LEU A 45 -13.770 12.421 2.598 1.00 45.42 C ATOM 0 H LEU A 45 -15.652 9.238 4.049 1.00 10.14 H new ATOM 0 HA LEU A 45 -15.808 12.039 4.344 1.00 11.10 H new ATOM 0 HB2 LEU A 45 -16.314 10.160 2.028 1.00 73.24 H new ATOM 0 HB3 LEU A 45 -16.338 11.905 1.878 1.00 73.24 H new ATOM 0 HG LEU A 45 -13.945 10.303 2.832 1.00 52.11 H new ATOM 0 HD11 LEU A 45 -13.000 10.786 0.616 1.00 22.44 H new ATOM 0 HD12 LEU A 45 -14.479 9.804 0.506 1.00 22.44 H new ATOM 0 HD13 LEU A 45 -14.537 11.543 0.135 1.00 22.44 H new ATOM 0 HD21 LEU A 45 -12.695 12.395 2.423 1.00 45.42 H new ATOM 0 HD22 LEU A 45 -14.216 13.215 1.999 1.00 45.42 H new ATOM 0 HD23 LEU A 45 -13.961 12.613 3.654 1.00 45.42 H new ATOM 531 N ILE A 46 -18.651 10.570 4.303 1.00 75.33 N ATOM 532 CA ILE A 46 -20.079 10.844 4.462 1.00 53.24 C ATOM 533 C ILE A 46 -20.290 11.608 5.776 1.00 42.22 C ATOM 534 O ILE A 46 -21.101 12.519 5.857 1.00 1.11 O ATOM 535 CB ILE A 46 -20.937 9.538 4.437 1.00 12.13 C ATOM 536 CG1 ILE A 46 -20.761 8.783 3.103 1.00 72.14 C ATOM 537 CG2 ILE A 46 -22.418 9.825 4.699 1.00 41.12 C ATOM 538 CD1 ILE A 46 -21.175 9.549 1.867 1.00 42.14 C ATOM 0 H ILE A 46 -18.382 9.594 4.431 1.00 75.33 H new ATOM 0 HA ILE A 46 -20.413 11.449 3.619 1.00 53.24 H new ATOM 0 HB ILE A 46 -20.574 8.902 5.244 1.00 12.13 H new ATOM 0 HG12 ILE A 46 -19.714 8.499 3.001 1.00 72.14 H new ATOM 0 HG13 ILE A 46 -21.338 7.860 3.148 1.00 72.14 H new ATOM 0 HG21 ILE A 46 -22.980 8.891 4.673 1.00 41.12 H new ATOM 0 HG22 ILE A 46 -22.531 10.289 5.679 1.00 41.12 H new ATOM 0 HG23 ILE A 46 -22.799 10.499 3.932 1.00 41.12 H new ATOM 0 HD11 ILE A 46 -21.012 8.931 0.984 1.00 42.14 H new ATOM 0 HD12 ILE A 46 -22.231 9.810 1.937 1.00 42.14 H new ATOM 0 HD13 ILE A 46 -20.581 10.459 1.787 1.00 42.14 H new ATOM 550 N GLN A 47 -19.474 11.280 6.768 1.00 31.12 N ATOM 551 CA GLN A 47 -19.533 11.944 8.069 1.00 13.20 C ATOM 552 C GLN A 47 -18.810 13.282 8.009 1.00 53.54 C ATOM 553 O GLN A 47 -18.948 14.111 8.893 1.00 1.24 O ATOM 554 CB GLN A 47 -18.918 11.078 9.167 1.00 41.44 C ATOM 555 CG GLN A 47 -19.614 9.744 9.383 1.00 13.41 C ATOM 556 CD GLN A 47 -18.982 8.919 10.497 1.00 45.23 C ATOM 557 OE1 GLN A 47 -18.990 7.698 10.458 1.00 3.34 O ATOM 558 NE2 GLN A 47 -18.448 9.573 11.503 1.00 32.40 N ATOM 0 H GLN A 47 -18.759 10.555 6.699 1.00 31.12 H new ATOM 0 HA GLN A 47 -20.584 12.107 8.310 1.00 13.20 H new ATOM 0 HB2 GLN A 47 -17.872 10.892 8.922 1.00 41.44 H new ATOM 0 HB3 GLN A 47 -18.932 11.636 10.103 1.00 41.44 H new ATOM 0 HG2 GLN A 47 -20.663 9.921 9.620 1.00 13.41 H new ATOM 0 HG3 GLN A 47 -19.589 9.172 8.455 1.00 13.41 H new ATOM 0 HE21 GLN A 47 -18.455 10.593 11.510 1.00 32.40 H new ATOM 0 HE22 GLN A 47 -18.026 9.061 12.278 1.00 32.40 H new ATOM 567 N ALA A 48 -18.017 13.462 6.964 1.00 55.30 N ATOM 568 CA ALA A 48 -17.319 14.713 6.730 1.00 73.24 C ATOM 569 C ALA A 48 -18.237 15.671 5.986 1.00 31.50 C ATOM 570 O ALA A 48 -17.941 16.852 5.841 1.00 63.40 O ATOM 571 CB ALA A 48 -16.035 14.477 5.945 1.00 40.04 C ATOM 0 H ALA A 48 -17.841 12.747 6.258 1.00 55.30 H new ATOM 0 HA ALA A 48 -17.044 15.153 7.689 1.00 73.24 H new ATOM 0 HB1 ALA A 48 -15.529 15.428 5.781 1.00 40.04 H new ATOM 0 HB2 ALA A 48 -15.382 13.810 6.508 1.00 40.04 H new ATOM 0 HB3 ALA A 48 -16.275 14.023 4.983 1.00 40.04 H new ATOM 577 N GLY A 49 -19.344 15.130 5.507 1.00 11.20 N ATOM 578 CA GLY A 49 -20.340 15.918 4.847 1.00 63.12 C ATOM 579 C GLY A 49 -20.168 15.988 3.346 1.00 62.43 C ATOM 580 O GLY A 49 -20.530 16.986 2.732 1.00 54.24 O ATOM 0 H GLY A 49 -19.566 14.136 5.570 1.00 11.20 H new ATOM 0 HA2 GLY A 49 -21.324 15.506 5.072 1.00 63.12 H new ATOM 0 HA3 GLY A 49 -20.318 16.929 5.253 1.00 63.12 H new ATOM 584 N LEU A 50 -19.610 14.944 2.747 1.00 5.33 N ATOM 585 CA LEU A 50 -19.459 14.889 1.324 1.00 14.25 C ATOM 586 C LEU A 50 -20.804 14.610 0.722 1.00 34.54 C ATOM 587 O LEU A 50 -21.331 13.494 0.837 1.00 61.54 O ATOM 588 CB LEU A 50 -18.485 13.796 0.944 1.00 10.22 C ATOM 589 CG LEU A 50 -17.847 13.968 -0.409 1.00 23.22 C ATOM 590 CD1 LEU A 50 -16.889 15.164 -0.440 1.00 34.42 C ATOM 591 CD2 LEU A 50 -17.144 12.737 -0.807 1.00 24.31 C ATOM 0 H LEU A 50 -19.256 14.125 3.241 1.00 5.33 H new ATOM 0 HA LEU A 50 -19.069 15.837 0.953 1.00 14.25 H new ATOM 0 HB2 LEU A 50 -17.700 13.749 1.698 1.00 10.22 H new ATOM 0 HB3 LEU A 50 -19.006 12.839 0.966 1.00 10.22 H new ATOM 0 HG LEU A 50 -18.645 14.168 -1.124 1.00 23.22 H new ATOM 0 HD11 LEU A 50 -16.450 15.253 -1.434 1.00 34.42 H new ATOM 0 HD12 LEU A 50 -17.437 16.076 -0.203 1.00 34.42 H new ATOM 0 HD13 LEU A 50 -16.097 15.015 0.294 1.00 34.42 H new ATOM 0 HD21 LEU A 50 -16.689 12.879 -1.787 1.00 24.31 H new ATOM 0 HD22 LEU A 50 -16.368 12.509 -0.076 1.00 24.31 H new ATOM 0 HD23 LEU A 50 -17.854 11.911 -0.853 1.00 24.31 H new ATOM 603 N ASP A 51 -21.382 15.640 0.148 1.00 15.13 N ATOM 604 CA ASP A 51 -22.684 15.565 -0.469 1.00 31.02 C ATOM 605 C ASP A 51 -22.680 14.579 -1.622 1.00 74.14 C ATOM 606 O ASP A 51 -21.621 14.265 -2.211 1.00 22.43 O ATOM 607 CB ASP A 51 -23.162 16.951 -0.951 1.00 61.11 C ATOM 608 CG ASP A 51 -22.282 17.547 -2.032 1.00 22.42 C ATOM 609 OD1 ASP A 51 -21.404 18.387 -1.710 1.00 33.33 O ATOM 610 OD2 ASP A 51 -22.446 17.169 -3.207 1.00 11.03 O1- ATOM 0 H ASP A 51 -20.955 16.565 0.096 1.00 15.13 H new ATOM 0 HA ASP A 51 -23.384 15.212 0.289 1.00 31.02 H new ATOM 0 HB2 ASP A 51 -24.181 16.865 -1.328 1.00 61.11 H new ATOM 0 HB3 ASP A 51 -23.193 17.633 -0.101 1.00 61.11 H new ATOM 615 N SER A 52 -23.844 14.096 -1.959 1.00 52.23 N ATOM 616 CA SER A 52 -23.967 13.119 -2.988 1.00 71.14 C ATOM 617 C SER A 52 -23.656 13.670 -4.374 1.00 74.24 C ATOM 618 O SER A 52 -23.379 12.898 -5.275 1.00 53.31 O ATOM 619 CB SER A 52 -25.329 12.474 -2.963 1.00 32.32 C ATOM 620 OG SER A 52 -25.630 11.982 -1.662 1.00 54.31 O ATOM 0 H SER A 52 -24.726 14.371 -1.526 1.00 52.23 H new ATOM 0 HA SER A 52 -23.215 12.359 -2.779 1.00 71.14 H new ATOM 0 HB2 SER A 52 -26.085 13.198 -3.267 1.00 32.32 H new ATOM 0 HB3 SER A 52 -25.363 11.656 -3.683 1.00 32.32 H new ATOM 0 HG SER A 52 -26.518 11.569 -1.666 1.00 54.31 H new ATOM 626 N ILE A 53 -23.649 14.991 -4.557 1.00 14.43 N ATOM 627 CA ILE A 53 -23.319 15.497 -5.863 1.00 65.31 C ATOM 628 C ILE A 53 -21.842 15.367 -6.034 1.00 54.23 C ATOM 629 O ILE A 53 -21.395 14.983 -7.076 1.00 74.44 O ATOM 630 CB ILE A 53 -23.744 16.955 -6.159 1.00 63.15 C ATOM 631 CG1 ILE A 53 -25.251 17.153 -5.873 1.00 15.42 C ATOM 632 CG2 ILE A 53 -23.428 17.283 -7.644 1.00 54.43 C ATOM 633 CD1 ILE A 53 -26.178 16.257 -6.684 1.00 5.42 C ATOM 0 H ILE A 53 -23.859 15.691 -3.846 1.00 14.43 H new ATOM 0 HA ILE A 53 -23.893 14.902 -6.574 1.00 65.31 H new ATOM 0 HB ILE A 53 -23.188 17.631 -5.509 1.00 63.15 H new ATOM 0 HG12 ILE A 53 -25.432 16.975 -4.813 1.00 15.42 H new ATOM 0 HG13 ILE A 53 -25.510 18.193 -6.070 1.00 15.42 H new ATOM 0 HG21 ILE A 53 -23.725 18.309 -7.861 1.00 54.43 H new ATOM 0 HG22 ILE A 53 -22.359 17.169 -7.822 1.00 54.43 H new ATOM 0 HG23 ILE A 53 -23.979 16.601 -8.292 1.00 54.43 H new ATOM 0 HD11 ILE A 53 -27.213 16.467 -6.416 1.00 5.42 H new ATOM 0 HD12 ILE A 53 -26.032 16.450 -7.747 1.00 5.42 H new ATOM 0 HD13 ILE A 53 -25.953 15.212 -6.471 1.00 5.42 H new ATOM 645 N ARG A 54 -21.083 15.651 -4.974 1.00 60.33 N ATOM 646 CA ARG A 54 -19.647 15.420 -4.982 1.00 5.24 C ATOM 647 C ARG A 54 -19.377 13.996 -5.337 1.00 51.13 C ATOM 648 O ARG A 54 -18.629 13.705 -6.258 1.00 52.51 O ATOM 649 CB ARG A 54 -19.041 15.697 -3.616 1.00 71.13 C ATOM 650 CG ARG A 54 -18.320 16.998 -3.521 1.00 53.53 C ATOM 651 CD ARG A 54 -19.215 18.169 -3.809 1.00 65.04 C ATOM 652 NE ARG A 54 -18.444 19.380 -3.789 1.00 63.41 N ATOM 653 CZ ARG A 54 -18.627 20.394 -2.972 1.00 43.14 C ATOM 654 NH1 ARG A 54 -19.660 20.400 -2.111 1.00 45.24 N1+ ATOM 655 NH2 ARG A 54 -17.755 21.400 -3.007 1.00 73.24 N ATOM 0 H ARG A 54 -21.443 16.041 -4.103 1.00 60.33 H new ATOM 0 HA ARG A 54 -19.200 16.093 -5.713 1.00 5.24 H new ATOM 0 HB2 ARG A 54 -19.834 15.678 -2.868 1.00 71.13 H new ATOM 0 HB3 ARG A 54 -18.349 14.892 -3.367 1.00 71.13 H new ATOM 0 HG2 ARG A 54 -17.897 17.104 -2.522 1.00 53.53 H new ATOM 0 HG3 ARG A 54 -17.486 17.000 -4.222 1.00 53.53 H new ATOM 0 HD2 ARG A 54 -19.691 18.045 -4.782 1.00 65.04 H new ATOM 0 HD3 ARG A 54 -20.012 18.221 -3.068 1.00 65.04 H new ATOM 0 HE ARG A 54 -17.688 19.461 -4.468 1.00 63.41 H new ATOM 0 HH11 ARG A 54 -20.309 19.614 -2.088 1.00 45.24 H new ATOM 0 HH12 ARG A 54 -19.794 21.191 -1.481 1.00 45.24 H new ATOM 0 HH21 ARG A 54 -16.969 21.371 -3.657 1.00 73.24 H new ATOM 0 HH22 ARG A 54 -17.873 22.199 -2.384 1.00 73.24 H new ATOM 669 N LEU A 55 -20.074 13.135 -4.652 1.00 73.22 N ATOM 670 CA LEU A 55 -19.944 11.713 -4.792 1.00 75.02 C ATOM 671 C LEU A 55 -20.267 11.280 -6.246 1.00 41.30 C ATOM 672 O LEU A 55 -19.560 10.462 -6.839 1.00 65.30 O ATOM 673 CB LEU A 55 -20.889 11.058 -3.767 1.00 23.11 C ATOM 674 CG LEU A 55 -20.432 9.743 -3.114 1.00 44.25 C ATOM 675 CD1 LEU A 55 -18.971 9.809 -2.726 1.00 21.24 C ATOM 676 CD2 LEU A 55 -21.229 9.521 -1.852 1.00 55.05 C ATOM 0 H LEU A 55 -20.770 13.412 -3.959 1.00 73.22 H new ATOM 0 HA LEU A 55 -18.921 11.392 -4.596 1.00 75.02 H new ATOM 0 HB2 LEU A 55 -21.075 11.780 -2.972 1.00 23.11 H new ATOM 0 HB3 LEU A 55 -21.843 10.874 -4.260 1.00 23.11 H new ATOM 0 HG LEU A 55 -20.583 8.936 -3.831 1.00 44.25 H new ATOM 0 HD11 LEU A 55 -18.674 8.866 -2.266 1.00 21.24 H new ATOM 0 HD12 LEU A 55 -18.366 9.986 -3.615 1.00 21.24 H new ATOM 0 HD13 LEU A 55 -18.819 10.622 -2.016 1.00 21.24 H new ATOM 0 HD21 LEU A 55 -20.913 8.590 -1.381 1.00 55.05 H new ATOM 0 HD22 LEU A 55 -21.062 10.351 -1.165 1.00 55.05 H new ATOM 0 HD23 LEU A 55 -22.289 9.461 -2.097 1.00 55.05 H new ATOM 688 N MET A 56 -21.280 11.891 -6.831 1.00 42.04 N ATOM 689 CA MET A 56 -21.691 11.562 -8.188 1.00 5.55 C ATOM 690 C MET A 56 -20.863 12.283 -9.234 1.00 23.34 C ATOM 691 O MET A 56 -20.747 11.805 -10.377 1.00 72.33 O ATOM 692 CB MET A 56 -23.190 11.777 -8.389 1.00 5.02 C ATOM 693 CG MET A 56 -24.004 10.840 -7.528 1.00 64.53 C ATOM 694 SD MET A 56 -25.776 11.025 -7.678 1.00 62.11 S ATOM 695 CE MET A 56 -26.273 9.753 -6.517 1.00 35.21 C ATOM 0 H MET A 56 -21.837 12.621 -6.388 1.00 42.04 H new ATOM 0 HA MET A 56 -21.498 10.498 -8.328 1.00 5.55 H new ATOM 0 HB2 MET A 56 -23.446 12.809 -8.148 1.00 5.02 H new ATOM 0 HB3 MET A 56 -23.444 11.622 -9.438 1.00 5.02 H new ATOM 0 HG2 MET A 56 -23.738 9.814 -7.782 1.00 64.53 H new ATOM 0 HG3 MET A 56 -23.725 10.993 -6.486 1.00 64.53 H new ATOM 0 HE1 MET A 56 -27.361 9.711 -6.467 1.00 35.21 H new ATOM 0 HE2 MET A 56 -25.887 8.788 -6.847 1.00 35.21 H new ATOM 0 HE3 MET A 56 -25.874 9.985 -5.530 1.00 35.21 H new ATOM 705 N ARG A 57 -20.279 13.430 -8.866 1.00 35.11 N ATOM 706 CA ARG A 57 -19.374 14.103 -9.762 1.00 4.52 C ATOM 707 C ARG A 57 -18.137 13.250 -9.893 1.00 75.55 C ATOM 708 O ARG A 57 -17.621 13.034 -10.986 1.00 74.12 O ATOM 709 CB ARG A 57 -18.957 15.531 -9.313 1.00 61.42 C ATOM 710 CG ARG A 57 -20.095 16.527 -9.263 1.00 53.54 C ATOM 711 CD ARG A 57 -19.626 17.980 -9.401 1.00 55.53 C ATOM 712 NE ARG A 57 -18.658 18.430 -8.375 1.00 15.35 N ATOM 713 CZ ARG A 57 -18.145 19.685 -8.314 1.00 41.13 C ATOM 714 NH1 ARG A 57 -18.529 20.613 -9.202 1.00 44.01 N1+ ATOM 715 NH2 ARG A 57 -17.266 20.006 -7.382 1.00 50.21 N ATOM 0 H ARG A 57 -20.423 13.892 -7.968 1.00 35.11 H new ATOM 0 HA ARG A 57 -19.902 14.233 -10.707 1.00 4.52 H new ATOM 0 HB2 ARG A 57 -18.500 15.469 -8.325 1.00 61.42 H new ATOM 0 HB3 ARG A 57 -18.193 15.905 -9.995 1.00 61.42 H new ATOM 0 HG2 ARG A 57 -20.803 16.302 -10.061 1.00 53.54 H new ATOM 0 HG3 ARG A 57 -20.630 16.412 -8.320 1.00 53.54 H new ATOM 0 HD2 ARG A 57 -19.174 18.107 -10.385 1.00 55.53 H new ATOM 0 HD3 ARG A 57 -20.499 18.632 -9.365 1.00 55.53 H new ATOM 0 HE ARG A 57 -18.358 17.756 -7.671 1.00 15.35 H new ATOM 0 HH11 ARG A 57 -19.208 20.377 -9.925 1.00 44.01 H new ATOM 0 HH12 ARG A 57 -18.142 21.556 -9.154 1.00 44.01 H new ATOM 0 HH21 ARG A 57 -16.967 19.308 -6.701 1.00 50.21 H new ATOM 0 HH22 ARG A 57 -16.886 20.952 -7.344 1.00 50.21 H new ATOM 729 N TRP A 58 -17.704 12.716 -8.745 1.00 31.21 N ATOM 730 CA TRP A 58 -16.542 11.861 -8.668 1.00 41.44 C ATOM 731 C TRP A 58 -16.685 10.607 -9.489 1.00 35.12 C ATOM 732 O TRP A 58 -15.749 10.221 -10.176 1.00 11.43 O ATOM 733 CB TRP A 58 -16.139 11.535 -7.229 1.00 3.13 C ATOM 734 CG TRP A 58 -15.532 12.688 -6.478 1.00 13.45 C ATOM 735 CD1 TRP A 58 -15.820 13.092 -5.199 1.00 44.12 C ATOM 736 CD2 TRP A 58 -14.537 13.600 -6.966 1.00 33.03 C ATOM 737 NE1 TRP A 58 -15.043 14.152 -4.855 1.00 1.30 N ATOM 738 CE2 TRP A 58 -14.247 14.491 -5.928 1.00 74.11 C ATOM 739 CE3 TRP A 58 -13.849 13.740 -8.182 1.00 71.53 C ATOM 740 CZ2 TRP A 58 -13.301 15.499 -6.071 1.00 35.23 C ATOM 741 CZ3 TRP A 58 -12.930 14.740 -8.312 1.00 4.11 C ATOM 742 CH2 TRP A 58 -12.661 15.601 -7.270 1.00 73.12 C ATOM 0 H TRP A 58 -18.160 12.873 -7.846 1.00 31.21 H new ATOM 0 HA TRP A 58 -15.730 12.441 -9.105 1.00 41.44 H new ATOM 0 HB2 TRP A 58 -17.019 11.188 -6.688 1.00 3.13 H new ATOM 0 HB3 TRP A 58 -15.427 10.710 -7.242 1.00 3.13 H new ATOM 0 HD1 TRP A 58 -16.558 12.633 -4.558 1.00 44.12 H new ATOM 0 HE1 TRP A 58 -15.048 14.621 -3.949 1.00 1.30 H new ATOM 0 HE3 TRP A 58 -14.044 13.066 -9.003 1.00 71.53 H new ATOM 0 HZ2 TRP A 58 -13.081 16.178 -5.260 1.00 35.23 H new ATOM 0 HZ3 TRP A 58 -12.404 14.859 -9.248 1.00 4.11 H new ATOM 0 HH2 TRP A 58 -11.923 16.378 -7.407 1.00 73.12 H new ATOM 753 N LEU A 59 -17.862 9.990 -9.446 1.00 0.13 N ATOM 754 CA LEU A 59 -18.148 8.796 -10.249 1.00 60.33 C ATOM 755 C LEU A 59 -17.832 9.052 -11.723 1.00 43.13 C ATOM 756 O LEU A 59 -17.228 8.222 -12.404 1.00 2.03 O ATOM 757 CB LEU A 59 -19.626 8.397 -10.110 1.00 54.41 C ATOM 758 CG LEU A 59 -20.090 7.212 -10.969 1.00 71.51 C ATOM 759 CD1 LEU A 59 -19.357 5.927 -10.602 1.00 2.24 C ATOM 760 CD2 LEU A 59 -21.598 7.033 -10.877 1.00 64.21 C ATOM 0 H LEU A 59 -18.640 10.296 -8.861 1.00 0.13 H new ATOM 0 HA LEU A 59 -17.519 7.985 -9.882 1.00 60.33 H new ATOM 0 HB2 LEU A 59 -19.820 8.159 -9.064 1.00 54.41 H new ATOM 0 HB3 LEU A 59 -20.240 9.263 -10.359 1.00 54.41 H new ATOM 0 HG LEU A 59 -19.839 7.439 -12.005 1.00 71.51 H new ATOM 0 HD11 LEU A 59 -19.714 5.112 -11.232 1.00 2.24 H new ATOM 0 HD12 LEU A 59 -18.286 6.062 -10.755 1.00 2.24 H new ATOM 0 HD13 LEU A 59 -19.546 5.686 -9.556 1.00 2.24 H new ATOM 0 HD21 LEU A 59 -21.902 6.188 -11.494 1.00 64.21 H new ATOM 0 HD22 LEU A 59 -21.880 6.846 -9.841 1.00 64.21 H new ATOM 0 HD23 LEU A 59 -22.094 7.937 -11.230 1.00 64.21 H new ATOM 772 N HIS A 60 -18.197 10.224 -12.183 1.00 34.13 N ATOM 773 CA HIS A 60 -17.996 10.593 -13.560 1.00 74.14 C ATOM 774 C HIS A 60 -16.581 11.060 -13.829 1.00 15.23 C ATOM 775 O HIS A 60 -16.129 11.015 -14.958 1.00 51.25 O ATOM 776 CB HIS A 60 -19.055 11.587 -14.028 1.00 20.41 C ATOM 777 CG HIS A 60 -20.414 10.956 -14.101 1.00 54.32 C ATOM 778 ND1 HIS A 60 -21.347 10.992 -13.083 1.00 43.14 N ATOM 779 CD2 HIS A 60 -20.965 10.209 -15.086 1.00 1.13 C ATOM 780 CE1 HIS A 60 -22.407 10.278 -13.469 1.00 61.22 C ATOM 781 NE2 HIS A 60 -22.225 9.774 -14.687 1.00 44.32 N ATOM 0 H HIS A 60 -18.640 10.946 -11.614 1.00 34.13 H new ATOM 0 HA HIS A 60 -18.125 9.694 -14.163 1.00 74.14 H new ATOM 0 HB2 HIS A 60 -19.084 12.436 -13.345 1.00 20.41 H new ATOM 0 HB3 HIS A 60 -18.781 11.976 -15.009 1.00 20.41 H new ATOM 0 HD1 HIS A 60 -21.244 11.479 -12.193 1.00 43.14 H new ATOM 0 HD2 HIS A 60 -20.499 9.985 -16.034 1.00 1.13 H new ATOM 0 HE1 HIS A 60 -23.295 10.129 -12.872 1.00 61.22 H new ATOM 789 N TRP A 61 -15.884 11.476 -12.786 1.00 71.14 N ATOM 790 CA TRP A 61 -14.478 11.843 -12.886 1.00 2.44 C ATOM 791 C TRP A 61 -13.684 10.584 -13.232 1.00 33.54 C ATOM 792 O TRP A 61 -12.954 10.561 -14.223 1.00 11.21 O ATOM 793 CB TRP A 61 -13.997 12.456 -11.556 1.00 32.25 C ATOM 794 CG TRP A 61 -12.559 12.920 -11.528 1.00 73.43 C ATOM 795 CD1 TRP A 61 -12.094 14.178 -11.795 1.00 73.53 C ATOM 796 CD2 TRP A 61 -11.405 12.133 -11.193 1.00 23.54 C ATOM 797 NE1 TRP A 61 -10.728 14.221 -11.633 1.00 22.14 N ATOM 798 CE2 TRP A 61 -10.284 12.977 -11.277 1.00 70.13 C ATOM 799 CE3 TRP A 61 -11.215 10.796 -10.832 1.00 70.23 C ATOM 800 CZ2 TRP A 61 -8.997 12.528 -11.013 1.00 2.44 C ATOM 801 CZ3 TRP A 61 -9.940 10.355 -10.573 1.00 43.32 C ATOM 802 CH2 TRP A 61 -8.848 11.217 -10.663 1.00 63.43 C ATOM 0 H TRP A 61 -16.273 11.569 -11.848 1.00 71.14 H new ATOM 0 HA TRP A 61 -14.330 12.592 -13.664 1.00 2.44 H new ATOM 0 HB2 TRP A 61 -14.638 13.305 -11.316 1.00 32.25 H new ATOM 0 HB3 TRP A 61 -14.136 11.718 -10.766 1.00 32.25 H new ATOM 0 HD1 TRP A 61 -12.709 15.015 -12.090 1.00 73.53 H new ATOM 0 HE1 TRP A 61 -10.142 15.046 -11.758 1.00 22.14 H new ATOM 0 HE3 TRP A 61 -12.055 10.122 -10.758 1.00 70.23 H new ATOM 0 HZ2 TRP A 61 -8.147 13.190 -11.082 1.00 2.44 H new ATOM 0 HZ3 TRP A 61 -9.781 9.324 -10.295 1.00 43.32 H new ATOM 0 HH2 TRP A 61 -7.859 10.838 -10.450 1.00 63.43 H new ATOM 813 N PHE A 62 -13.890 9.507 -12.433 1.00 2.13 N ATOM 814 CA PHE A 62 -13.238 8.207 -12.695 1.00 44.14 C ATOM 815 C PHE A 62 -13.568 7.772 -14.103 1.00 32.54 C ATOM 816 O PHE A 62 -12.693 7.482 -14.914 1.00 73.34 O ATOM 817 CB PHE A 62 -13.758 7.084 -11.758 1.00 74.04 C ATOM 818 CG PHE A 62 -13.446 7.193 -10.291 1.00 4.22 C ATOM 819 CD1 PHE A 62 -14.333 7.798 -9.428 1.00 64.34 C ATOM 820 CD2 PHE A 62 -12.286 6.648 -9.770 1.00 75.30 C ATOM 821 CE1 PHE A 62 -14.082 7.869 -8.076 1.00 23.32 C ATOM 822 CE2 PHE A 62 -12.029 6.723 -8.410 1.00 75.14 C ATOM 823 CZ PHE A 62 -12.928 7.331 -7.567 1.00 62.11 C ATOM 0 H PHE A 62 -14.496 9.516 -11.612 1.00 2.13 H new ATOM 0 HA PHE A 62 -12.170 8.349 -12.532 1.00 44.14 H new ATOM 0 HB2 PHE A 62 -14.841 7.032 -11.867 1.00 74.04 H new ATOM 0 HB3 PHE A 62 -13.356 6.136 -12.116 1.00 74.04 H new ATOM 0 HD1 PHE A 62 -15.244 8.225 -9.820 1.00 64.34 H new ATOM 0 HD2 PHE A 62 -11.578 6.162 -10.425 1.00 75.30 H new ATOM 0 HE1 PHE A 62 -14.792 8.347 -7.418 1.00 23.32 H new ATOM 0 HE2 PHE A 62 -11.118 6.302 -8.011 1.00 75.14 H new ATOM 0 HZ PHE A 62 -12.726 7.385 -6.507 1.00 62.11 H new ATOM 833 N ARG A 63 -14.851 7.816 -14.382 1.00 52.14 N ATOM 834 CA ARG A 63 -15.442 7.363 -15.620 1.00 71.10 C ATOM 835 C ARG A 63 -14.886 8.161 -16.829 1.00 50.43 C ATOM 836 O ARG A 63 -14.853 7.669 -17.955 1.00 72.00 O ATOM 837 CB ARG A 63 -16.948 7.554 -15.491 1.00 63.11 C ATOM 838 CG ARG A 63 -17.808 6.514 -16.164 1.00 5.51 C ATOM 839 CD ARG A 63 -19.280 6.868 -15.971 1.00 0.12 C ATOM 840 NE ARG A 63 -20.192 5.893 -16.592 1.00 34.03 N ATOM 841 CZ ARG A 63 -21.536 6.025 -16.658 1.00 3.11 C ATOM 842 NH1 ARG A 63 -22.141 7.108 -16.141 1.00 0.43 N1+ ATOM 843 NH2 ARG A 63 -22.272 5.070 -17.243 1.00 1.41 N ATOM 0 H ARG A 63 -15.539 8.184 -13.725 1.00 52.14 H new ATOM 0 HA ARG A 63 -15.199 6.316 -15.798 1.00 71.10 H new ATOM 0 HB2 ARG A 63 -17.202 7.576 -14.431 1.00 63.11 H new ATOM 0 HB3 ARG A 63 -17.206 8.530 -15.901 1.00 63.11 H new ATOM 0 HG2 ARG A 63 -17.571 6.464 -17.227 1.00 5.51 H new ATOM 0 HG3 ARG A 63 -17.602 5.529 -15.744 1.00 5.51 H new ATOM 0 HD2 ARG A 63 -19.496 6.931 -14.904 1.00 0.12 H new ATOM 0 HD3 ARG A 63 -19.469 7.855 -16.394 1.00 0.12 H new ATOM 0 HE ARG A 63 -19.779 5.056 -17.003 1.00 34.03 H new ATOM 0 HH11 ARG A 63 -21.586 7.838 -15.695 1.00 0.43 H new ATOM 0 HH12 ARG A 63 -23.155 7.200 -16.195 1.00 0.43 H new ATOM 0 HH21 ARG A 63 -21.818 4.246 -17.637 1.00 1.41 H new ATOM 0 HH22 ARG A 63 -23.286 5.167 -17.294 1.00 1.41 H new ATOM 857 N LYS A 64 -14.484 9.399 -16.595 1.00 61.21 N ATOM 858 CA LYS A 64 -13.891 10.205 -17.632 1.00 72.13 C ATOM 859 C LYS A 64 -12.421 9.955 -17.832 1.00 23.51 C ATOM 860 O LYS A 64 -11.952 10.036 -18.972 1.00 10.34 O ATOM 861 CB LYS A 64 -14.187 11.700 -17.488 1.00 71.24 C ATOM 862 CG LYS A 64 -15.583 12.121 -17.958 1.00 14.41 C ATOM 863 CD LYS A 64 -15.726 12.334 -19.503 1.00 52.32 C ATOM 864 CE LYS A 64 -15.455 11.093 -20.394 1.00 44.52 C ATOM 865 NZ LYS A 64 -13.995 10.848 -20.667 1.00 11.21 N1+ ATOM 0 H LYS A 64 -14.561 9.863 -15.690 1.00 61.21 H new ATOM 0 HA LYS A 64 -14.389 9.869 -18.542 1.00 72.13 H new ATOM 0 HB2 LYS A 64 -14.070 11.981 -16.441 1.00 71.24 H new ATOM 0 HB3 LYS A 64 -13.443 12.261 -18.054 1.00 71.24 H new ATOM 0 HG2 LYS A 64 -16.300 11.362 -17.643 1.00 14.41 H new ATOM 0 HG3 LYS A 64 -15.856 13.047 -17.452 1.00 14.41 H new ATOM 0 HD2 LYS A 64 -16.736 12.689 -19.708 1.00 52.32 H new ATOM 0 HD3 LYS A 64 -15.042 13.128 -19.804 1.00 52.32 H new ATOM 0 HE2 LYS A 64 -15.878 10.212 -19.912 1.00 44.52 H new ATOM 0 HE3 LYS A 64 -15.977 11.218 -21.343 1.00 44.52 H new ATOM 0 HZ1 LYS A 64 -13.787 9.835 -20.560 1.00 11.21 H new ATOM 0 HZ2 LYS A 64 -13.768 11.147 -21.637 1.00 11.21 H new ATOM 0 HZ3 LYS A 64 -13.420 11.393 -19.993 1.00 11.21 H new ATOM 879 N ASN A 65 -11.718 9.663 -16.768 1.00 72.13 N ATOM 880 CA ASN A 65 -10.267 9.413 -16.826 1.00 53.32 C ATOM 881 C ASN A 65 -9.957 8.014 -17.334 1.00 30.14 C ATOM 882 O ASN A 65 -8.822 7.700 -17.663 1.00 44.11 O ATOM 883 CB ASN A 65 -9.607 9.634 -15.447 1.00 4.03 C ATOM 884 CG ASN A 65 -9.491 11.097 -15.047 1.00 22.10 C ATOM 885 OD1 ASN A 65 -10.285 11.945 -15.470 1.00 42.03 O ATOM 886 ND2 ASN A 65 -8.533 11.401 -14.209 1.00 42.45 N ATOM 0 H ASN A 65 -12.116 9.588 -15.832 1.00 72.13 H new ATOM 0 HA ASN A 65 -9.849 10.131 -17.532 1.00 53.32 H new ATOM 0 HB2 ASN A 65 -10.185 9.105 -14.689 1.00 4.03 H new ATOM 0 HB3 ASN A 65 -8.612 9.190 -15.456 1.00 4.03 H new ATOM 0 HD21 ASN A 65 -8.425 12.362 -13.885 1.00 42.45 H new ATOM 0 HD22 ASN A 65 -7.895 10.677 -13.879 1.00 42.45 H new ATOM 893 N GLY A 66 -10.975 7.183 -17.413 1.00 32.30 N ATOM 894 CA GLY A 66 -10.787 5.823 -17.884 1.00 51.23 C ATOM 895 C GLY A 66 -10.758 4.858 -16.732 1.00 64.32 C ATOM 896 O GLY A 66 -10.501 3.662 -16.891 1.00 24.32 O ATOM 0 H GLY A 66 -11.934 7.420 -17.160 1.00 32.30 H new ATOM 0 HA2 GLY A 66 -11.593 5.556 -18.568 1.00 51.23 H new ATOM 0 HA3 GLY A 66 -9.856 5.754 -18.446 1.00 51.23 H new ATOM 900 N TYR A 67 -11.037 5.381 -15.569 1.00 52.32 N ATOM 901 CA TYR A 67 -11.062 4.617 -14.371 1.00 55.34 C ATOM 902 C TYR A 67 -12.401 3.990 -14.192 1.00 0.25 C ATOM 903 O TYR A 67 -13.365 4.374 -14.852 1.00 22.42 O ATOM 904 CB TYR A 67 -10.617 5.445 -13.176 1.00 0.21 C ATOM 905 CG TYR A 67 -9.136 5.679 -13.206 1.00 11.21 C ATOM 906 CD1 TYR A 67 -8.312 4.978 -12.368 1.00 73.44 C ATOM 907 CD2 TYR A 67 -8.562 6.551 -14.115 1.00 65.41 C ATOM 908 CE1 TYR A 67 -6.946 5.130 -12.421 1.00 72.13 C ATOM 909 CE2 TYR A 67 -7.203 6.724 -14.177 1.00 31.13 C ATOM 910 CZ TYR A 67 -6.396 6.012 -13.333 1.00 22.20 C ATOM 911 OH TYR A 67 -5.040 6.166 -13.405 1.00 34.33 O ATOM 0 H TYR A 67 -11.256 6.368 -15.435 1.00 52.32 H new ATOM 0 HA TYR A 67 -10.339 3.805 -14.449 1.00 55.34 H new ATOM 0 HB2 TYR A 67 -11.140 6.401 -13.177 1.00 0.21 H new ATOM 0 HB3 TYR A 67 -10.889 4.933 -12.253 1.00 0.21 H new ATOM 0 HD1 TYR A 67 -8.742 4.293 -11.652 1.00 73.44 H new ATOM 0 HD2 TYR A 67 -9.197 7.106 -14.789 1.00 65.41 H new ATOM 0 HE1 TYR A 67 -6.309 4.566 -11.756 1.00 72.13 H new ATOM 0 HE2 TYR A 67 -6.774 7.416 -14.886 1.00 31.13 H new ATOM 0 HH TYR A 67 -4.666 6.195 -12.500 1.00 34.33 H new ATOM 921 N ARG A 68 -12.493 3.063 -13.294 1.00 62.13 N ATOM 922 CA ARG A 68 -13.668 2.227 -13.273 1.00 23.13 C ATOM 923 C ARG A 68 -13.980 1.667 -11.910 1.00 65.31 C ATOM 924 O ARG A 68 -13.143 1.017 -11.292 1.00 72.25 O ATOM 925 CB ARG A 68 -13.518 1.115 -14.343 1.00 24.33 C ATOM 926 CG ARG A 68 -12.225 0.290 -14.237 1.00 24.21 C ATOM 927 CD ARG A 68 -11.986 -0.525 -15.500 1.00 10.33 C ATOM 928 NE ARG A 68 -10.772 -1.358 -15.420 1.00 40.44 N ATOM 929 CZ ARG A 68 -9.766 -1.372 -16.337 1.00 71.00 C ATOM 930 NH1 ARG A 68 -9.648 -0.402 -17.252 1.00 43.42 N1+ ATOM 931 NH2 ARG A 68 -8.841 -2.296 -16.275 1.00 34.13 N ATOM 0 H ARG A 68 -11.794 2.862 -12.579 1.00 62.13 H new ATOM 0 HA ARG A 68 -14.529 2.849 -13.518 1.00 23.13 H new ATOM 0 HB2 ARG A 68 -14.370 0.440 -14.267 1.00 24.33 H new ATOM 0 HB3 ARG A 68 -13.560 1.573 -15.331 1.00 24.33 H new ATOM 0 HG2 ARG A 68 -11.379 0.956 -14.065 1.00 24.21 H new ATOM 0 HG3 ARG A 68 -12.286 -0.377 -13.377 1.00 24.21 H new ATOM 0 HD2 ARG A 68 -12.849 -1.165 -15.683 1.00 10.33 H new ATOM 0 HD3 ARG A 68 -11.903 0.150 -16.352 1.00 10.33 H new ATOM 0 HE ARG A 68 -10.678 -1.974 -14.612 1.00 40.44 H new ATOM 0 HH11 ARG A 68 -10.319 0.366 -17.271 1.00 43.42 H new ATOM 0 HH12 ARG A 68 -8.887 -0.431 -17.931 1.00 43.42 H new ATOM 0 HH21 ARG A 68 -8.875 -3.003 -15.541 1.00 34.13 H new ATOM 0 HH22 ARG A 68 -8.086 -2.309 -16.961 1.00 34.13 H new ATOM 945 N LEU A 69 -15.167 1.990 -11.439 1.00 30.34 N ATOM 946 CA LEU A 69 -15.733 1.480 -10.196 1.00 11.11 C ATOM 947 C LEU A 69 -17.200 1.842 -10.149 1.00 4.24 C ATOM 948 O LEU A 69 -17.668 2.599 -11.018 1.00 65.43 O ATOM 949 CB LEU A 69 -14.955 1.976 -8.932 1.00 44.23 C ATOM 950 CG LEU A 69 -14.585 3.479 -8.825 1.00 51.51 C ATOM 951 CD1 LEU A 69 -15.805 4.392 -8.760 1.00 62.14 C ATOM 952 CD2 LEU A 69 -13.691 3.704 -7.622 1.00 62.54 C ATOM 0 H LEU A 69 -15.789 2.636 -11.924 1.00 30.34 H new ATOM 0 HA LEU A 69 -15.631 0.395 -10.179 1.00 11.11 H new ATOM 0 HB2 LEU A 69 -15.551 1.719 -8.056 1.00 44.23 H new ATOM 0 HB3 LEU A 69 -14.030 1.403 -8.868 1.00 44.23 H new ATOM 0 HG LEU A 69 -14.051 3.743 -9.738 1.00 51.51 H new ATOM 0 HD11 LEU A 69 -15.479 5.430 -8.686 1.00 62.14 H new ATOM 0 HD12 LEU A 69 -16.404 4.263 -9.661 1.00 62.14 H new ATOM 0 HD13 LEU A 69 -16.404 4.137 -7.886 1.00 62.14 H new ATOM 0 HD21 LEU A 69 -13.434 4.761 -7.552 1.00 62.54 H new ATOM 0 HD22 LEU A 69 -14.215 3.397 -6.717 1.00 62.54 H new ATOM 0 HD23 LEU A 69 -12.780 3.116 -7.731 1.00 62.54 H new ATOM 964 N THR A 70 -17.928 1.328 -9.198 1.00 13.24 N ATOM 965 CA THR A 70 -19.292 1.706 -9.054 1.00 4.52 C ATOM 966 C THR A 70 -19.447 2.555 -7.799 1.00 3.00 C ATOM 967 O THR A 70 -18.795 2.319 -6.789 1.00 3.34 O ATOM 968 CB THR A 70 -20.266 0.491 -9.030 1.00 43.43 C ATOM 969 OG1 THR A 70 -19.989 -0.373 -7.932 1.00 51.44 O ATOM 970 CG2 THR A 70 -20.188 -0.301 -10.330 1.00 22.32 C ATOM 0 H THR A 70 -17.594 0.648 -8.515 1.00 13.24 H new ATOM 0 HA THR A 70 -19.568 2.288 -9.933 1.00 4.52 H new ATOM 0 HB THR A 70 -21.274 0.891 -8.917 1.00 43.43 H new ATOM 0 HG1 THR A 70 -19.046 -0.640 -7.955 1.00 51.44 H new ATOM 0 HG21 THR A 70 -20.878 -1.143 -10.285 1.00 22.32 H new ATOM 0 HG22 THR A 70 -20.457 0.345 -11.166 1.00 22.32 H new ATOM 0 HG23 THR A 70 -19.173 -0.672 -10.470 1.00 22.32 H new ATOM 978 N LEU A 71 -20.301 3.546 -7.865 1.00 33.43 N ATOM 979 CA LEU A 71 -20.493 4.482 -6.763 1.00 61.10 C ATOM 980 C LEU A 71 -21.060 3.803 -5.525 1.00 13.22 C ATOM 981 O LEU A 71 -20.875 4.273 -4.408 1.00 4.01 O ATOM 982 CB LEU A 71 -21.413 5.568 -7.183 1.00 21.43 C ATOM 983 CG LEU A 71 -21.509 6.761 -6.265 1.00 62.30 C ATOM 984 CD1 LEU A 71 -20.158 7.357 -6.109 1.00 65.25 C ATOM 985 CD2 LEU A 71 -22.478 7.775 -6.815 1.00 2.11 C ATOM 0 H LEU A 71 -20.886 3.734 -8.679 1.00 33.43 H new ATOM 0 HA LEU A 71 -19.514 4.887 -6.507 1.00 61.10 H new ATOM 0 HB2 LEU A 71 -21.100 5.919 -8.167 1.00 21.43 H new ATOM 0 HB3 LEU A 71 -22.411 5.145 -7.298 1.00 21.43 H new ATOM 0 HG LEU A 71 -21.880 6.443 -5.291 1.00 62.30 H new ATOM 0 HD11 LEU A 71 -20.216 8.221 -5.447 1.00 65.25 H new ATOM 0 HD12 LEU A 71 -19.481 6.617 -5.682 1.00 65.25 H new ATOM 0 HD13 LEU A 71 -19.784 7.671 -7.084 1.00 65.25 H new ATOM 0 HD21 LEU A 71 -22.534 8.628 -6.139 1.00 2.11 H new ATOM 0 HD22 LEU A 71 -22.137 8.110 -7.795 1.00 2.11 H new ATOM 0 HD23 LEU A 71 -23.465 7.322 -6.909 1.00 2.11 H new ATOM 997 N ARG A 72 -21.744 2.683 -5.738 1.00 64.33 N ATOM 998 CA ARG A 72 -22.352 1.912 -4.652 1.00 51.41 C ATOM 999 C ARG A 72 -21.283 1.451 -3.673 1.00 12.14 C ATOM 1000 O ARG A 72 -21.552 1.232 -2.505 1.00 2.21 O ATOM 1001 CB ARG A 72 -23.089 0.687 -5.207 1.00 62.13 C ATOM 1002 CG ARG A 72 -24.261 1.006 -6.120 1.00 40.33 C ATOM 1003 CD ARG A 72 -24.901 -0.274 -6.648 1.00 61.35 C ATOM 1004 NE ARG A 72 -26.065 -0.007 -7.521 1.00 71.31 N ATOM 1005 CZ ARG A 72 -26.602 -0.898 -8.386 1.00 73.11 C ATOM 1006 NH1 ARG A 72 -26.048 -2.111 -8.532 1.00 22.14 N1+ ATOM 1007 NH2 ARG A 72 -27.688 -0.567 -9.104 1.00 63.40 N ATOM 0 H ARG A 72 -21.894 2.283 -6.664 1.00 64.33 H new ATOM 0 HA ARG A 72 -23.065 2.556 -4.137 1.00 51.41 H new ATOM 0 HB2 ARG A 72 -22.377 0.070 -5.756 1.00 62.13 H new ATOM 0 HB3 ARG A 72 -23.451 0.089 -4.371 1.00 62.13 H new ATOM 0 HG2 ARG A 72 -25.003 1.591 -5.576 1.00 40.33 H new ATOM 0 HG3 ARG A 72 -23.921 1.619 -6.955 1.00 40.33 H new ATOM 0 HD2 ARG A 72 -24.158 -0.846 -7.204 1.00 61.35 H new ATOM 0 HD3 ARG A 72 -25.216 -0.893 -5.807 1.00 61.35 H new ATOM 0 HE ARG A 72 -26.494 0.917 -7.467 1.00 71.31 H new ATOM 0 HH11 ARG A 72 -25.221 -2.362 -7.991 1.00 22.14 H new ATOM 0 HH12 ARG A 72 -26.454 -2.782 -9.184 1.00 22.14 H new ATOM 0 HH21 ARG A 72 -28.108 0.356 -8.997 1.00 63.40 H new ATOM 0 HH22 ARG A 72 -28.093 -1.239 -9.756 1.00 63.40 H new ATOM 1021 N GLU A 73 -20.072 1.376 -4.163 1.00 21.54 N ATOM 1022 CA GLU A 73 -18.943 0.906 -3.377 1.00 22.44 C ATOM 1023 C GLU A 73 -18.446 2.019 -2.451 1.00 10.23 C ATOM 1024 O GLU A 73 -18.113 1.782 -1.290 1.00 10.03 O ATOM 1025 CB GLU A 73 -17.843 0.442 -4.313 1.00 61.35 C ATOM 1026 CG GLU A 73 -18.273 -0.680 -5.235 1.00 0.53 C ATOM 1027 CD GLU A 73 -17.232 -1.019 -6.268 1.00 4.41 C ATOM 1028 OE1 GLU A 73 -16.283 -1.729 -5.939 1.00 15.00 O ATOM 1029 OE2 GLU A 73 -17.378 -0.597 -7.437 1.00 65.43 O1- ATOM 0 H GLU A 73 -19.833 1.638 -5.119 1.00 21.54 H new ATOM 0 HA GLU A 73 -19.251 0.066 -2.754 1.00 22.44 H new ATOM 0 HB2 GLU A 73 -17.506 1.287 -4.913 1.00 61.35 H new ATOM 0 HB3 GLU A 73 -16.989 0.110 -3.722 1.00 61.35 H new ATOM 0 HG2 GLU A 73 -18.492 -1.568 -4.642 1.00 0.53 H new ATOM 0 HG3 GLU A 73 -19.198 -0.397 -5.737 1.00 0.53 H new ATOM 1036 N LEU A 74 -18.439 3.236 -2.979 1.00 32.54 N ATOM 1037 CA LEU A 74 -18.054 4.438 -2.255 1.00 65.22 C ATOM 1038 C LEU A 74 -19.041 4.738 -1.122 1.00 71.51 C ATOM 1039 O LEU A 74 -18.690 5.376 -0.135 1.00 71.12 O ATOM 1040 CB LEU A 74 -17.954 5.639 -3.223 1.00 4.32 C ATOM 1041 CG LEU A 74 -16.798 5.621 -4.266 1.00 50.31 C ATOM 1042 CD1 LEU A 74 -16.885 4.471 -5.249 1.00 42.13 C ATOM 1043 CD2 LEU A 74 -16.700 6.939 -5.006 1.00 1.31 C ATOM 0 H LEU A 74 -18.708 3.418 -3.946 1.00 32.54 H new ATOM 0 HA LEU A 74 -17.074 4.268 -1.809 1.00 65.22 H new ATOM 0 HB2 LEU A 74 -18.896 5.715 -3.765 1.00 4.32 H new ATOM 0 HB3 LEU A 74 -17.856 6.546 -2.626 1.00 4.32 H new ATOM 0 HG LEU A 74 -15.887 5.469 -3.687 1.00 50.31 H new ATOM 0 HD11 LEU A 74 -16.048 4.523 -5.945 1.00 42.13 H new ATOM 0 HD12 LEU A 74 -16.849 3.526 -4.707 1.00 42.13 H new ATOM 0 HD13 LEU A 74 -17.821 4.536 -5.803 1.00 42.13 H new ATOM 0 HD21 LEU A 74 -15.883 6.892 -5.726 1.00 1.31 H new ATOM 0 HD22 LEU A 74 -17.636 7.132 -5.531 1.00 1.31 H new ATOM 0 HD23 LEU A 74 -16.511 7.743 -4.294 1.00 1.31 H new ATOM 1055 N TYR A 75 -20.282 4.308 -1.303 1.00 34.13 N ATOM 1056 CA TYR A 75 -21.291 4.399 -0.259 1.00 4.13 C ATOM 1057 C TYR A 75 -21.138 3.259 0.749 1.00 71.34 C ATOM 1058 O TYR A 75 -21.342 3.454 1.941 1.00 61.52 O ATOM 1059 CB TYR A 75 -22.713 4.369 -0.834 1.00 0.35 C ATOM 1060 CG TYR A 75 -23.229 5.664 -1.424 1.00 62.11 C ATOM 1061 CD1 TYR A 75 -23.170 5.919 -2.788 1.00 13.33 C ATOM 1062 CD2 TYR A 75 -23.816 6.621 -0.605 1.00 61.53 C ATOM 1063 CE1 TYR A 75 -23.679 7.094 -3.315 1.00 64.55 C ATOM 1064 CE2 TYR A 75 -24.322 7.795 -1.122 1.00 64.24 C ATOM 1065 CZ TYR A 75 -24.254 8.027 -2.476 1.00 3.41 C ATOM 1066 OH TYR A 75 -24.758 9.201 -2.992 1.00 72.43 O ATOM 0 H TYR A 75 -20.615 3.889 -2.171 1.00 34.13 H new ATOM 0 HA TYR A 75 -21.137 5.355 0.242 1.00 4.13 H new ATOM 0 HB2 TYR A 75 -22.752 3.602 -1.607 1.00 0.35 H new ATOM 0 HB3 TYR A 75 -23.395 4.059 -0.042 1.00 0.35 H new ATOM 0 HD1 TYR A 75 -22.721 5.191 -3.447 1.00 13.33 H new ATOM 0 HD2 TYR A 75 -23.877 6.442 0.458 1.00 61.53 H new ATOM 0 HE1 TYR A 75 -23.626 7.280 -4.378 1.00 64.55 H new ATOM 0 HE2 TYR A 75 -24.769 8.528 -0.467 1.00 64.24 H new ATOM 0 HH TYR A 75 -24.887 9.848 -2.267 1.00 72.43 H new ATOM 1076 N ALA A 76 -20.791 2.066 0.249 1.00 31.31 N ATOM 1077 CA ALA A 76 -20.632 0.877 1.092 1.00 74.12 C ATOM 1078 C ALA A 76 -19.486 1.056 2.075 1.00 21.10 C ATOM 1079 O ALA A 76 -19.618 0.767 3.263 1.00 11.24 O ATOM 1080 CB ALA A 76 -20.413 -0.364 0.236 1.00 5.44 C ATOM 0 H ALA A 76 -20.614 1.900 -0.742 1.00 31.31 H new ATOM 0 HA ALA A 76 -21.551 0.744 1.663 1.00 74.12 H new ATOM 0 HB1 ALA A 76 -20.297 -1.235 0.881 1.00 5.44 H new ATOM 0 HB2 ALA A 76 -21.271 -0.510 -0.420 1.00 5.44 H new ATOM 0 HB3 ALA A 76 -19.513 -0.236 -0.366 1.00 5.44 H new ATOM 1086 N ALA A 77 -18.370 1.520 1.576 1.00 50.04 N ATOM 1087 CA ALA A 77 -17.249 1.831 2.417 1.00 73.45 C ATOM 1088 C ALA A 77 -16.876 3.274 2.194 1.00 40.21 C ATOM 1089 O ALA A 77 -16.047 3.592 1.327 1.00 33.23 O ATOM 1090 CB ALA A 77 -16.062 0.913 2.156 1.00 71.24 C ATOM 0 H ALA A 77 -18.215 1.691 0.582 1.00 50.04 H new ATOM 0 HA ALA A 77 -17.532 1.672 3.458 1.00 73.45 H new ATOM 0 HB1 ALA A 77 -15.238 1.187 2.816 1.00 71.24 H new ATOM 0 HB2 ALA A 77 -16.352 -0.120 2.347 1.00 71.24 H new ATOM 0 HB3 ALA A 77 -15.745 1.015 1.118 1.00 71.24 H new ATOM 1096 N PRO A 78 -17.497 4.194 2.926 1.00 14.50 N ATOM 1097 CA PRO A 78 -17.261 5.575 2.713 1.00 1.43 C ATOM 1098 C PRO A 78 -16.025 6.068 3.430 1.00 62.14 C ATOM 1099 O PRO A 78 -16.078 6.547 4.550 1.00 52.31 O ATOM 1100 CB PRO A 78 -18.519 6.256 3.241 1.00 11.42 C ATOM 1101 CG PRO A 78 -19.188 5.264 4.150 1.00 22.52 C ATOM 1102 CD PRO A 78 -18.467 3.949 4.004 1.00 11.43 C ATOM 0 HA PRO A 78 -17.073 5.793 1.662 1.00 1.43 H new ATOM 0 HB2 PRO A 78 -18.269 7.170 3.780 1.00 11.42 H new ATOM 0 HB3 PRO A 78 -19.180 6.540 2.422 1.00 11.42 H new ATOM 0 HG2 PRO A 78 -19.151 5.607 5.184 1.00 22.52 H new ATOM 0 HG3 PRO A 78 -20.240 5.154 3.888 1.00 22.52 H new ATOM 0 HD2 PRO A 78 -17.970 3.661 4.930 1.00 11.43 H new ATOM 0 HD3 PRO A 78 -19.154 3.143 3.747 1.00 11.43 H new ATOM 1110 N THR A 79 -14.927 5.925 2.764 1.00 10.12 N ATOM 1111 CA THR A 79 -13.640 6.385 3.193 1.00 40.53 C ATOM 1112 C THR A 79 -12.867 6.650 1.957 1.00 5.24 C ATOM 1113 O THR A 79 -13.052 5.951 0.978 1.00 33.23 O ATOM 1114 CB THR A 79 -12.896 5.339 4.054 1.00 53.33 C ATOM 1115 OG1 THR A 79 -13.099 4.032 3.514 1.00 12.30 O ATOM 1116 CG2 THR A 79 -13.344 5.386 5.493 1.00 32.03 C ATOM 0 H THR A 79 -14.898 5.460 1.857 1.00 10.12 H new ATOM 0 HA THR A 79 -13.753 7.271 3.817 1.00 40.53 H new ATOM 0 HB THR A 79 -11.833 5.578 4.032 1.00 53.33 H new ATOM 0 HG1 THR A 79 -12.624 3.374 4.063 1.00 12.30 H new ATOM 0 HG21 THR A 79 -12.800 4.637 6.068 1.00 32.03 H new ATOM 0 HG22 THR A 79 -13.144 6.375 5.904 1.00 32.03 H new ATOM 0 HG23 THR A 79 -14.413 5.180 5.548 1.00 32.03 H new ATOM 1124 N LEU A 80 -12.032 7.627 1.975 1.00 1.52 N ATOM 1125 CA LEU A 80 -11.311 8.016 0.789 1.00 41.02 C ATOM 1126 C LEU A 80 -10.331 6.906 0.356 1.00 41.14 C ATOM 1127 O LEU A 80 -10.206 6.601 -0.839 1.00 74.43 O ATOM 1128 CB LEU A 80 -10.647 9.371 1.047 1.00 73.51 C ATOM 1129 CG LEU A 80 -9.989 10.076 -0.136 1.00 12.14 C ATOM 1130 CD1 LEU A 80 -9.886 11.551 0.126 1.00 21.34 C ATOM 1131 CD2 LEU A 80 -8.608 9.559 -0.352 1.00 1.13 C ATOM 0 H LEU A 80 -11.821 8.185 2.802 1.00 1.52 H new ATOM 0 HA LEU A 80 -11.988 8.140 -0.056 1.00 41.02 H new ATOM 0 HB2 LEU A 80 -11.402 10.041 1.459 1.00 73.51 H new ATOM 0 HB3 LEU A 80 -9.889 9.232 1.818 1.00 73.51 H new ATOM 0 HG LEU A 80 -10.605 9.887 -1.015 1.00 12.14 H new ATOM 0 HD11 LEU A 80 -9.415 12.040 -0.727 1.00 21.34 H new ATOM 0 HD12 LEU A 80 -10.883 11.964 0.276 1.00 21.34 H new ATOM 0 HD13 LEU A 80 -9.285 11.721 1.019 1.00 21.34 H new ATOM 0 HD21 LEU A 80 -8.155 10.074 -1.200 1.00 1.13 H new ATOM 0 HD22 LEU A 80 -8.009 9.736 0.542 1.00 1.13 H new ATOM 0 HD23 LEU A 80 -8.648 8.489 -0.556 1.00 1.13 H new ATOM 1143 N ALA A 81 -9.712 6.261 1.341 1.00 65.44 N ATOM 1144 CA ALA A 81 -8.782 5.147 1.120 1.00 54.24 C ATOM 1145 C ALA A 81 -9.473 4.002 0.397 1.00 41.42 C ATOM 1146 O ALA A 81 -8.842 3.233 -0.343 1.00 60.30 O ATOM 1147 CB ALA A 81 -8.232 4.650 2.449 1.00 34.52 C ATOM 0 H ALA A 81 -9.840 6.496 2.325 1.00 65.44 H new ATOM 0 HA ALA A 81 -7.961 5.509 0.501 1.00 54.24 H new ATOM 0 HB1 ALA A 81 -7.544 3.824 2.272 1.00 34.52 H new ATOM 0 HB2 ALA A 81 -7.704 5.461 2.950 1.00 34.52 H new ATOM 0 HB3 ALA A 81 -9.054 4.309 3.078 1.00 34.52 H new ATOM 1153 N ALA A 82 -10.776 3.900 0.596 1.00 24.25 N ATOM 1154 CA ALA A 82 -11.548 2.878 -0.038 1.00 43.23 C ATOM 1155 C ALA A 82 -11.622 3.112 -1.525 1.00 41.43 C ATOM 1156 O ALA A 82 -11.351 2.214 -2.273 1.00 32.03 O ATOM 1157 CB ALA A 82 -12.935 2.767 0.558 1.00 63.52 C ATOM 0 H ALA A 82 -11.313 4.524 1.199 1.00 24.25 H new ATOM 0 HA ALA A 82 -11.042 1.929 0.140 1.00 43.23 H new ATOM 0 HB1 ALA A 82 -13.488 1.979 0.048 1.00 63.52 H new ATOM 0 HB2 ALA A 82 -12.857 2.527 1.618 1.00 63.52 H new ATOM 0 HB3 ALA A 82 -13.460 3.715 0.438 1.00 63.52 H new ATOM 1163 N TRP A 83 -11.915 4.355 -1.955 1.00 0.14 N ATOM 1164 CA TRP A 83 -12.071 4.637 -3.403 1.00 73.33 C ATOM 1165 C TRP A 83 -10.710 4.443 -4.078 1.00 10.13 C ATOM 1166 O TRP A 83 -10.623 3.991 -5.226 1.00 71.50 O ATOM 1167 CB TRP A 83 -12.550 6.078 -3.738 1.00 61.43 C ATOM 1168 CG TRP A 83 -13.552 6.760 -2.839 1.00 42.33 C ATOM 1169 CD1 TRP A 83 -14.127 6.321 -1.687 1.00 60.23 C ATOM 1170 CD2 TRP A 83 -14.077 8.060 -3.063 1.00 63.25 C ATOM 1171 NE1 TRP A 83 -14.974 7.274 -1.191 1.00 75.31 N ATOM 1172 CE2 TRP A 83 -14.965 8.344 -2.023 1.00 43.14 C ATOM 1173 CE3 TRP A 83 -13.881 9.013 -4.062 1.00 74.23 C ATOM 1174 CZ2 TRP A 83 -15.649 9.538 -1.949 1.00 11.45 C ATOM 1175 CZ3 TRP A 83 -14.561 10.192 -3.985 1.00 73.35 C ATOM 1176 CH2 TRP A 83 -15.434 10.448 -2.937 1.00 14.14 C ATOM 0 H TRP A 83 -12.046 5.161 -1.344 1.00 0.14 H new ATOM 0 HA TRP A 83 -12.840 3.953 -3.762 1.00 73.33 H new ATOM 0 HB2 TRP A 83 -11.666 6.714 -3.781 1.00 61.43 H new ATOM 0 HB3 TRP A 83 -12.975 6.055 -4.741 1.00 61.43 H new ATOM 0 HD1 TRP A 83 -13.942 5.360 -1.230 1.00 60.23 H new ATOM 0 HE1 TRP A 83 -15.523 7.193 -0.335 1.00 75.31 H new ATOM 0 HE3 TRP A 83 -13.204 8.821 -4.881 1.00 74.23 H new ATOM 0 HZ2 TRP A 83 -16.330 9.744 -1.137 1.00 11.45 H new ATOM 0 HZ3 TRP A 83 -14.418 10.939 -4.752 1.00 73.35 H new ATOM 0 HH2 TRP A 83 -15.956 11.393 -2.905 1.00 14.14 H new ATOM 1187 N ASN A 84 -9.658 4.798 -3.328 1.00 2.02 N ATOM 1188 CA ASN A 84 -8.249 4.629 -3.734 1.00 1.43 C ATOM 1189 C ASN A 84 -8.023 3.161 -4.113 1.00 30.33 C ATOM 1190 O ASN A 84 -7.613 2.835 -5.235 1.00 54.25 O ATOM 1191 CB ASN A 84 -7.339 5.001 -2.523 1.00 73.21 C ATOM 1192 CG ASN A 84 -5.823 4.925 -2.768 1.00 34.21 C ATOM 1193 OD1 ASN A 84 -5.337 4.195 -3.638 1.00 54.11 O ATOM 1194 ND2 ASN A 84 -5.060 5.573 -1.920 1.00 74.52 N ATOM 0 H ASN A 84 -9.760 5.219 -2.404 1.00 2.02 H new ATOM 0 HA ASN A 84 -8.012 5.268 -4.584 1.00 1.43 H new ATOM 0 HB2 ASN A 84 -7.585 6.015 -2.207 1.00 73.21 H new ATOM 0 HB3 ASN A 84 -7.586 4.340 -1.692 1.00 73.21 H new ATOM 0 HD21 ASN A 84 -4.046 5.479 -1.972 1.00 74.52 H new ATOM 0 HD22 ASN A 84 -5.481 6.171 -1.209 1.00 74.52 H new ATOM 1201 N GLN A 85 -8.343 2.280 -3.185 1.00 41.23 N ATOM 1202 CA GLN A 85 -8.190 0.858 -3.395 1.00 75.01 C ATOM 1203 C GLN A 85 -9.210 0.317 -4.371 1.00 45.33 C ATOM 1204 O GLN A 85 -8.899 -0.600 -5.102 1.00 64.04 O ATOM 1205 CB GLN A 85 -8.249 0.096 -2.078 1.00 64.15 C ATOM 1206 CG GLN A 85 -7.037 0.307 -1.188 1.00 72.44 C ATOM 1207 CD GLN A 85 -5.767 -0.268 -1.788 1.00 14.15 C ATOM 1208 OE1 GLN A 85 -5.026 0.410 -2.498 1.00 11.21 O ATOM 1209 NE2 GLN A 85 -5.512 -1.523 -1.522 1.00 34.31 N ATOM 0 H GLN A 85 -8.715 2.531 -2.269 1.00 41.23 H new ATOM 0 HA GLN A 85 -7.204 0.707 -3.834 1.00 75.01 H new ATOM 0 HB2 GLN A 85 -9.144 0.399 -1.534 1.00 64.15 H new ATOM 0 HB3 GLN A 85 -8.350 -0.968 -2.290 1.00 64.15 H new ATOM 0 HG2 GLN A 85 -6.901 1.374 -1.012 1.00 72.44 H new ATOM 0 HG3 GLN A 85 -7.218 -0.155 -0.218 1.00 72.44 H new ATOM 0 HE21 GLN A 85 -6.147 -2.058 -0.929 1.00 34.31 H new ATOM 0 HE22 GLN A 85 -4.678 -1.967 -1.907 1.00 34.31 H new ATOM 1218 N LEU A 86 -10.414 0.886 -4.388 1.00 13.13 N ATOM 1219 CA LEU A 86 -11.468 0.467 -5.313 1.00 53.43 C ATOM 1220 C LEU A 86 -11.024 0.560 -6.745 1.00 44.00 C ATOM 1221 O LEU A 86 -11.362 -0.307 -7.541 1.00 23.33 O ATOM 1222 CB LEU A 86 -12.763 1.227 -5.102 1.00 60.22 C ATOM 1223 CG LEU A 86 -13.497 0.929 -3.799 1.00 53.10 C ATOM 1224 CD1 LEU A 86 -14.722 1.778 -3.701 1.00 50.01 C ATOM 1225 CD2 LEU A 86 -13.865 -0.547 -3.693 1.00 54.43 C ATOM 0 H LEU A 86 -10.687 1.646 -3.765 1.00 13.13 H new ATOM 0 HA LEU A 86 -11.667 -0.581 -5.088 1.00 53.43 H new ATOM 0 HB2 LEU A 86 -12.547 2.295 -5.141 1.00 60.22 H new ATOM 0 HB3 LEU A 86 -13.432 1.007 -5.934 1.00 60.22 H new ATOM 0 HG LEU A 86 -12.829 1.164 -2.971 1.00 53.10 H new ATOM 0 HD11 LEU A 86 -15.242 1.560 -2.768 1.00 50.01 H new ATOM 0 HD12 LEU A 86 -14.438 2.830 -3.721 1.00 50.01 H new ATOM 0 HD13 LEU A 86 -15.381 1.564 -4.542 1.00 50.01 H new ATOM 0 HD21 LEU A 86 -14.387 -0.725 -2.753 1.00 54.43 H new ATOM 0 HD22 LEU A 86 -14.513 -0.821 -4.525 1.00 54.43 H new ATOM 0 HD23 LEU A 86 -12.958 -1.151 -3.725 1.00 54.43 H new ATOM 1237 N MET A 87 -10.227 1.596 -7.064 1.00 31.54 N ATOM 1238 CA MET A 87 -9.625 1.709 -8.391 1.00 61.42 C ATOM 1239 C MET A 87 -8.879 0.434 -8.713 1.00 64.11 C ATOM 1240 O MET A 87 -9.227 -0.285 -9.644 1.00 3.23 O ATOM 1241 CB MET A 87 -8.629 2.878 -8.488 1.00 22.22 C ATOM 1242 CG MET A 87 -9.224 4.254 -8.691 1.00 32.40 C ATOM 1243 SD MET A 87 -7.926 5.494 -8.916 1.00 2.20 S ATOM 1244 CE MET A 87 -8.854 6.886 -9.558 1.00 43.25 C ATOM 0 H MET A 87 -9.991 2.355 -6.425 1.00 31.54 H new ATOM 0 HA MET A 87 -10.437 1.888 -9.095 1.00 61.42 H new ATOM 0 HB2 MET A 87 -8.032 2.895 -7.576 1.00 22.22 H new ATOM 0 HB3 MET A 87 -7.945 2.677 -9.313 1.00 22.22 H new ATOM 0 HG2 MET A 87 -9.879 4.246 -9.562 1.00 32.40 H new ATOM 0 HG3 MET A 87 -9.840 4.518 -7.831 1.00 32.40 H new ATOM 0 HE1 MET A 87 -8.170 7.598 -10.019 1.00 43.25 H new ATOM 0 HE2 MET A 87 -9.568 6.535 -10.302 1.00 43.25 H new ATOM 0 HE3 MET A 87 -9.389 7.373 -8.743 1.00 43.25 H new ATOM 1254 N LEU A 88 -7.889 0.130 -7.902 1.00 75.42 N ATOM 1255 CA LEU A 88 -7.067 -1.059 -8.095 1.00 43.02 C ATOM 1256 C LEU A 88 -7.795 -2.384 -7.831 1.00 72.23 C ATOM 1257 O LEU A 88 -7.357 -3.430 -8.295 1.00 4.31 O ATOM 1258 CB LEU A 88 -5.724 -0.950 -7.350 1.00 40.01 C ATOM 1259 CG LEU A 88 -4.622 -0.112 -8.065 1.00 4.43 C ATOM 1260 CD1 LEU A 88 -4.193 -0.778 -9.362 1.00 40.44 C ATOM 1261 CD2 LEU A 88 -5.101 1.311 -8.340 1.00 13.11 C ATOM 0 H LEU A 88 -7.627 0.693 -7.093 1.00 75.42 H new ATOM 0 HA LEU A 88 -6.843 -1.090 -9.161 1.00 43.02 H new ATOM 0 HB2 LEU A 88 -5.908 -0.513 -6.369 1.00 40.01 H new ATOM 0 HB3 LEU A 88 -5.339 -1.956 -7.183 1.00 40.01 H new ATOM 0 HG LEU A 88 -3.763 -0.061 -7.396 1.00 4.43 H new ATOM 0 HD11 LEU A 88 -3.423 -0.175 -9.843 1.00 40.44 H new ATOM 0 HD12 LEU A 88 -3.796 -1.770 -9.147 1.00 40.44 H new ATOM 0 HD13 LEU A 88 -5.052 -0.867 -10.027 1.00 40.44 H new ATOM 0 HD21 LEU A 88 -4.310 1.871 -8.839 1.00 13.11 H new ATOM 0 HD22 LEU A 88 -5.983 1.281 -8.979 1.00 13.11 H new ATOM 0 HD23 LEU A 88 -5.352 1.799 -7.398 1.00 13.11 H new ATOM 1273 N SER A 89 -8.918 -2.332 -7.147 1.00 42.10 N ATOM 1274 CA SER A 89 -9.729 -3.523 -6.909 1.00 31.03 C ATOM 1275 C SER A 89 -10.541 -3.864 -8.159 1.00 71.35 C ATOM 1276 O SER A 89 -11.105 -4.957 -8.285 1.00 3.23 O ATOM 1277 CB SER A 89 -10.657 -3.318 -5.710 1.00 32.32 C ATOM 1278 OG SER A 89 -9.913 -3.021 -4.541 1.00 65.34 O ATOM 0 H SER A 89 -9.298 -1.477 -6.741 1.00 42.10 H new ATOM 0 HA SER A 89 -9.062 -4.355 -6.684 1.00 31.03 H new ATOM 0 HB2 SER A 89 -11.354 -2.506 -5.919 1.00 32.32 H new ATOM 0 HB3 SER A 89 -11.253 -4.216 -5.548 1.00 32.32 H new ATOM 0 HG SER A 89 -9.376 -2.215 -4.691 1.00 65.34 H new ATOM 1284 N ARG A 90 -10.638 -2.905 -9.063 1.00 60.34 N ATOM 1285 CA ARG A 90 -11.287 -3.121 -10.345 1.00 51.12 C ATOM 1286 C ARG A 90 -10.200 -3.118 -11.412 1.00 41.44 C ATOM 1287 O ARG A 90 -10.472 -3.048 -12.620 1.00 13.33 O ATOM 1288 CB ARG A 90 -12.364 -2.047 -10.599 1.00 31.42 C ATOM 1289 CG ARG A 90 -13.341 -1.888 -9.424 1.00 44.33 C ATOM 1290 CD ARG A 90 -13.986 -3.215 -9.045 1.00 63.32 C ATOM 1291 NE ARG A 90 -14.605 -3.176 -7.716 1.00 1.21 N ATOM 1292 CZ ARG A 90 -14.441 -4.108 -6.759 1.00 11.32 C ATOM 1293 NH1 ARG A 90 -13.577 -5.125 -6.925 1.00 25.35 N1+ ATOM 1294 NH2 ARG A 90 -15.088 -3.978 -5.621 1.00 42.25 N ATOM 0 H ARG A 90 -10.273 -1.962 -8.931 1.00 60.34 H new ATOM 0 HA ARG A 90 -11.809 -4.078 -10.364 1.00 51.12 H new ATOM 0 HB2 ARG A 90 -11.878 -1.091 -10.792 1.00 31.42 H new ATOM 0 HB3 ARG A 90 -12.924 -2.307 -11.497 1.00 31.42 H new ATOM 0 HG2 ARG A 90 -12.811 -1.482 -8.562 1.00 44.33 H new ATOM 0 HG3 ARG A 90 -14.116 -1.169 -9.690 1.00 44.33 H new ATOM 0 HD2 ARG A 90 -14.741 -3.474 -9.787 1.00 63.32 H new ATOM 0 HD3 ARG A 90 -13.232 -4.002 -9.069 1.00 63.32 H new ATOM 0 HE ARG A 90 -15.206 -2.381 -7.500 1.00 1.21 H new ATOM 0 HH11 ARG A 90 -13.035 -5.198 -7.786 1.00 25.35 H new ATOM 0 HH12 ARG A 90 -13.464 -5.823 -6.190 1.00 25.35 H new ATOM 0 HH21 ARG A 90 -15.704 -3.179 -5.473 1.00 42.25 H new ATOM 0 HH22 ARG A 90 -14.974 -4.677 -4.887 1.00 42.25 H new ATOM 1308 N SER A 91 -8.972 -3.179 -10.877 1.00 54.04 N ATOM 1309 CA SER A 91 -7.690 -3.294 -11.558 1.00 20.11 C ATOM 1310 C SER A 91 -7.611 -2.626 -12.927 1.00 10.23 C ATOM 1311 O SER A 91 -7.882 -3.271 -13.943 1.00 74.54 O ATOM 1312 CB SER A 91 -7.276 -4.764 -11.630 1.00 1.33 C ATOM 1313 OG SER A 91 -7.294 -5.355 -10.329 1.00 22.30 O ATOM 0 H SER A 91 -8.848 -3.145 -9.865 1.00 54.04 H new ATOM 0 HA SER A 91 -6.981 -2.729 -10.952 1.00 20.11 H new ATOM 0 HB2 SER A 91 -7.952 -5.306 -12.291 1.00 1.33 H new ATOM 0 HB3 SER A 91 -6.277 -4.846 -12.059 1.00 1.33 H new ATOM 0 HG SER A 91 -7.330 -4.650 -9.650 1.00 22.30 H new ATOM 1319 N PRO A 92 -7.304 -1.317 -12.991 1.00 2.22 N ATOM 1320 CA PRO A 92 -7.096 -0.677 -14.242 1.00 1.44 C ATOM 1321 C PRO A 92 -5.618 -0.658 -14.590 1.00 4.21 C ATOM 1322 O PRO A 92 -4.817 0.015 -13.904 1.00 62.42 O ATOM 1323 CB PRO A 92 -7.612 0.755 -13.989 1.00 54.20 C ATOM 1324 CG PRO A 92 -7.725 0.892 -12.491 1.00 51.42 C ATOM 1325 CD PRO A 92 -7.172 -0.381 -11.894 1.00 22.40 C ATOM 0 HA PRO A 92 -7.597 -1.176 -15.072 1.00 1.44 H new ATOM 0 HB2 PRO A 92 -6.926 1.496 -14.399 1.00 54.20 H new ATOM 0 HB3 PRO A 92 -8.577 0.914 -14.470 1.00 54.20 H new ATOM 0 HG2 PRO A 92 -7.166 1.759 -12.139 1.00 51.42 H new ATOM 0 HG3 PRO A 92 -8.763 1.040 -12.193 1.00 51.42 H new ATOM 0 HD2 PRO A 92 -6.135 -0.266 -11.580 1.00 22.40 H new ATOM 0 HD3 PRO A 92 -7.737 -0.699 -11.018 1.00 22.40 H new ATOM 1333 N GLU A 93 -5.318 -1.371 -15.661 1.00 3.03 N ATOM 1334 CA GLU A 93 -4.018 -1.515 -16.309 1.00 45.33 C ATOM 1335 C GLU A 93 -2.805 -1.289 -15.368 1.00 63.42 C ATOM 1336 O GLU A 93 -1.994 -0.399 -15.635 1.00 15.31 O ATOM 1337 CB GLU A 93 -3.985 -0.605 -17.570 1.00 43.22 C ATOM 1338 CG GLU A 93 -4.937 -1.042 -18.736 1.00 22.31 C ATOM 1339 CD GLU A 93 -6.423 -1.199 -18.350 1.00 71.42 C ATOM 1340 OE1 GLU A 93 -6.808 -2.293 -17.877 1.00 44.05 O ATOM 1341 OE2 GLU A 93 -7.223 -0.245 -18.487 1.00 62.11 O1- ATOM 1342 OXT GLU A 93 -2.711 -1.959 -14.300 1.00 38.21 O1- ATOM 0 H GLU A 93 -6.036 -1.912 -16.144 1.00 3.03 H new ATOM 0 HA GLU A 93 -3.908 -2.557 -16.610 1.00 45.33 H new ATOM 0 HB2 GLU A 93 -4.245 0.411 -17.272 1.00 43.22 H new ATOM 0 HB3 GLU A 93 -2.964 -0.574 -17.949 1.00 43.22 H new ATOM 0 HG2 GLU A 93 -4.863 -0.308 -19.538 1.00 22.31 H new ATOM 0 HG3 GLU A 93 -4.581 -1.991 -19.138 1.00 22.31 H new TER 1349 GLU A 93