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= 0.291 USER MOD Set 1.2: A 75 TYR OH : rot -173:sc= -0.0592 USER MOD Set 2.1: A 65 ASN : amide:sc= 0.206 X(o=0.39,f=0.0031) USER MOD Set 2.2: A 67 TYR OH : rot 126:sc= 0.181 USER MOD Set 3.1: A 17 HIS :FLIP no HD1:sc= -0.0979 F(o=-0.3,f=0.77) USER MOD Set 3.2: A 91 SER OG : rot 90:sc= 0.864 USER MOD Single : A 15 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.36) USER MOD Single : A 21 TYR OH : rot -79:sc= 0.125 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 23 GLN : amide:sc= -0.0412 K(o=-0.041,f=-2.9!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0155 USER MOD Single : A 37 GLN : amide:sc= -0.803 K(o=-0.8,f=-10!) USER MOD Single : A 38 GLN : amide:sc= -0.407 K(o=-0.41,f=-1.3) USER MOD Single : A 40 HIS : no HE2:sc= 0.258 K(o=0.26,f=-5.5!) USER MOD Single : A 43 SER OG : rot -92:sc= 1.17 USER MOD Single : A 44 ASN : amide:sc= -0.532 K(o=-0.53,f=-7.4!) USER MOD Single : A 47 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.14) USER MOD Single : A 56 MET CE :methyl -157:sc= -0.205 (180deg=-0.949) USER MOD Single : A 60 HIS : no HE2:sc= -0.267 K(o=-0.27,f=-1.4!) USER MOD Single : A 64 LYS NZ :NH3+ 138:sc= 2.79 (180deg=1.13) USER MOD Single : A 70 THR OG1 : rot 82:sc= 1.98 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0.486 K(o=0.49,f=-1.1!) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 87 MET CE :methyl -155:sc= -1.82 (180deg=-3.58) USER MOD Single : A 89 SER OG : rot 77:sc= 0.0121 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 14 2.796 1.155 -5.029 1.00 73.54 N ATOM 2 CA ASP A 14 2.882 1.250 -6.495 1.00 62.21 C ATOM 3 C ASP A 14 1.911 2.332 -6.973 1.00 21.12 C ATOM 4 O ASP A 14 2.294 3.168 -7.765 1.00 53.14 O ATOM 5 CB ASP A 14 2.528 -0.104 -7.130 1.00 5.41 C ATOM 6 CG ASP A 14 1.109 -0.468 -6.845 1.00 0.32 C ATOM 7 OD1 ASP A 14 0.340 -0.615 -7.782 1.00 14.40 O ATOM 8 OD2 ASP A 14 0.728 -0.432 -5.663 1.00 73.21 O1- ATOM 0 HA ASP A 14 3.897 1.512 -6.793 1.00 62.21 H new ATOM 0 HB2 ASP A 14 2.687 -0.058 -8.207 1.00 5.41 H new ATOM 0 HB3 ASP A 14 3.191 -0.877 -6.742 1.00 5.41 H new ATOM 13 N ASN A 15 0.632 2.287 -6.469 1.00 12.21 N ATOM 14 CA ASN A 15 -0.412 3.319 -6.687 1.00 30.44 C ATOM 15 C ASN A 15 -0.524 3.789 -8.140 1.00 22.11 C ATOM 16 O ASN A 15 -0.847 4.944 -8.390 1.00 54.52 O ATOM 17 CB ASN A 15 -0.252 4.518 -5.696 1.00 52.22 C ATOM 18 CG ASN A 15 1.119 5.194 -5.722 1.00 32.30 C ATOM 19 OD1 ASN A 15 2.032 4.787 -4.991 1.00 55.43 O ATOM 20 ND2 ASN A 15 1.277 6.204 -6.541 1.00 40.51 N ATOM 0 H ASN A 15 0.305 1.513 -5.891 1.00 12.21 H new ATOM 0 HA ASN A 15 -1.361 2.829 -6.469 1.00 30.44 H new ATOM 0 HB2 ASN A 15 -1.013 5.264 -5.925 1.00 52.22 H new ATOM 0 HB3 ASN A 15 -0.447 4.163 -4.684 1.00 52.22 H new ATOM 0 HD21 ASN A 15 2.176 6.684 -6.592 1.00 40.51 H new ATOM 0 HD22 ASN A 15 0.501 6.511 -7.128 1.00 40.51 H new ATOM 27 N ARG A 16 -0.354 2.852 -9.090 1.00 14.12 N ATOM 28 CA ARG A 16 -0.354 3.194 -10.522 1.00 61.32 C ATOM 29 C ARG A 16 -1.642 3.909 -10.991 1.00 30.12 C ATOM 30 O ARG A 16 -1.577 4.930 -11.650 1.00 22.41 O ATOM 31 CB ARG A 16 0.025 2.008 -11.455 1.00 31.41 C ATOM 32 CG ARG A 16 -0.995 0.903 -11.574 1.00 42.14 C ATOM 33 CD ARG A 16 -1.080 0.022 -10.341 1.00 42.43 C ATOM 34 NE ARG A 16 -2.132 -1.013 -10.469 1.00 24.05 N ATOM 35 CZ ARG A 16 -2.438 -1.942 -9.536 1.00 44.24 C ATOM 36 NH1 ARG A 16 -1.711 -2.060 -8.430 1.00 72.12 N1+ ATOM 37 NH2 ARG A 16 -3.465 -2.757 -9.730 1.00 25.42 N ATOM 0 H ARG A 16 -0.216 1.861 -8.894 1.00 14.12 H new ATOM 0 HA ARG A 16 0.452 3.922 -10.617 1.00 61.32 H new ATOM 0 HB2 ARG A 16 0.219 2.404 -12.452 1.00 31.41 H new ATOM 0 HB3 ARG A 16 0.959 1.575 -11.097 1.00 31.41 H new ATOM 0 HG2 ARG A 16 -1.974 1.342 -11.765 1.00 42.14 H new ATOM 0 HG3 ARG A 16 -0.749 0.284 -12.437 1.00 42.14 H new ATOM 0 HD2 ARG A 16 -0.117 -0.459 -10.172 1.00 42.43 H new ATOM 0 HD3 ARG A 16 -1.285 0.640 -9.467 1.00 42.43 H new ATOM 0 HE ARG A 16 -2.671 -1.026 -11.335 1.00 24.05 H new ATOM 0 HH11 ARG A 16 -0.911 -1.445 -8.277 1.00 72.12 H new ATOM 0 HH12 ARG A 16 -1.953 -2.765 -7.734 1.00 72.12 H new ATOM 0 HH21 ARG A 16 -4.022 -2.682 -10.581 1.00 25.42 H new ATOM 0 HH22 ARG A 16 -3.699 -3.459 -9.028 1.00 25.42 H new ATOM 51 N HIS A 17 -2.796 3.374 -10.633 1.00 44.43 N ATOM 52 CA HIS A 17 -4.073 3.997 -11.005 1.00 34.55 C ATOM 53 C HIS A 17 -4.357 5.185 -10.099 1.00 11.02 C ATOM 54 O HIS A 17 -4.797 6.234 -10.536 1.00 71.25 O ATOM 55 CB HIS A 17 -5.236 2.991 -10.905 1.00 12.40 C ATOM 56 CG HIS A 17 -5.140 1.812 -11.818 1.00 42.24 C ATOM 57 ND1 HIS A 17 -4.540 0.626 -11.620 1.00 44.20 N flip ATOM 58 CD2 HIS A 17 -5.687 1.751 -13.082 1.00 53.21 C flip ATOM 59 CE1 HIS A 17 -4.696 -0.170 -12.736 1.00 20.55 C flip ATOM 60 NE2 HIS A 17 -5.399 0.551 -13.595 1.00 64.34 N flip ATOM 0 H HIS A 17 -2.885 2.516 -10.089 1.00 44.43 H new ATOM 0 HA HIS A 17 -3.992 4.332 -12.039 1.00 34.55 H new ATOM 0 HB2 HIS A 17 -5.296 2.631 -9.878 1.00 12.40 H new ATOM 0 HB3 HIS A 17 -6.168 3.516 -11.113 1.00 12.40 H new ATOM 0 HD2 HIS A 17 -6.248 2.534 -13.571 1.00 53.21 H new ATOM 0 HE1 HIS A 17 -4.322 -1.173 -12.879 1.00 20.55 H new ATOM 0 HE2 HIS A 17 -5.682 0.234 -14.522 1.00 64.34 H new ATOM 68 N ALA A 18 -4.026 5.001 -8.839 1.00 43.14 N ATOM 69 CA ALA A 18 -4.302 5.955 -7.773 1.00 64.12 C ATOM 70 C ALA A 18 -3.559 7.284 -7.929 1.00 30.12 C ATOM 71 O ALA A 18 -3.846 8.239 -7.219 1.00 22.15 O ATOM 72 CB ALA A 18 -4.111 5.327 -6.411 1.00 71.53 C ATOM 0 H ALA A 18 -3.544 4.163 -8.513 1.00 43.14 H new ATOM 0 HA ALA A 18 -5.355 6.220 -7.861 1.00 64.12 H new ATOM 0 HB1 ALA A 18 -4.325 6.064 -5.637 1.00 71.53 H new ATOM 0 HB2 ALA A 18 -4.789 4.480 -6.302 1.00 71.53 H new ATOM 0 HB3 ALA A 18 -3.082 4.983 -6.310 1.00 71.53 H new ATOM 78 N ALA A 19 -2.551 7.306 -8.781 1.00 30.30 N ATOM 79 CA ALA A 19 -1.829 8.536 -9.102 1.00 62.43 C ATOM 80 C ALA A 19 -2.797 9.649 -9.551 1.00 34.33 C ATOM 81 O ALA A 19 -2.637 10.801 -9.168 1.00 30.05 O ATOM 82 CB ALA A 19 -0.778 8.272 -10.170 1.00 42.41 C ATOM 0 H ALA A 19 -2.207 6.480 -9.271 1.00 30.30 H new ATOM 0 HA ALA A 19 -1.325 8.878 -8.198 1.00 62.43 H new ATOM 0 HB1 ALA A 19 -0.250 9.198 -10.397 1.00 42.41 H new ATOM 0 HB2 ALA A 19 -0.068 7.529 -9.806 1.00 42.41 H new ATOM 0 HB3 ALA A 19 -1.262 7.900 -11.073 1.00 42.41 H new ATOM 88 N ASP A 20 -3.829 9.290 -10.318 1.00 10.42 N ATOM 89 CA ASP A 20 -4.824 10.285 -10.748 1.00 22.14 C ATOM 90 C ASP A 20 -5.754 10.594 -9.584 1.00 44.40 C ATOM 91 O ASP A 20 -6.256 11.695 -9.453 1.00 63.23 O ATOM 92 CB ASP A 20 -5.605 9.811 -11.989 1.00 73.31 C ATOM 93 CG ASP A 20 -6.611 10.835 -12.545 1.00 70.30 C ATOM 94 OD1 ASP A 20 -6.205 11.942 -12.928 1.00 31.43 O ATOM 95 OD2 ASP A 20 -7.824 10.505 -12.668 1.00 23.54 O1- ATOM 0 H ASP A 20 -3.999 8.341 -10.650 1.00 10.42 H new ATOM 0 HA ASP A 20 -4.307 11.198 -11.043 1.00 22.14 H new ATOM 0 HB2 ASP A 20 -4.893 9.558 -12.775 1.00 73.31 H new ATOM 0 HB3 ASP A 20 -6.141 8.896 -11.737 1.00 73.31 H new ATOM 100 N TYR A 21 -5.898 9.628 -8.668 1.00 43.41 N ATOM 101 CA TYR A 21 -6.718 9.801 -7.458 1.00 14.50 C ATOM 102 C TYR A 21 -6.128 10.893 -6.577 1.00 61.31 C ATOM 103 O TYR A 21 -6.833 11.492 -5.772 1.00 71.03 O ATOM 104 CB TYR A 21 -6.856 8.491 -6.653 1.00 62.42 C ATOM 105 CG TYR A 21 -7.814 8.588 -5.474 1.00 64.21 C ATOM 106 CD1 TYR A 21 -7.363 8.866 -4.187 1.00 24.30 C ATOM 107 CD2 TYR A 21 -9.172 8.414 -5.655 1.00 21.12 C ATOM 108 CE1 TYR A 21 -8.241 8.964 -3.136 1.00 44.04 C ATOM 109 CE2 TYR A 21 -10.048 8.512 -4.601 1.00 11.43 C ATOM 110 CZ TYR A 21 -9.574 8.789 -3.344 1.00 60.31 C ATOM 111 OH TYR A 21 -10.443 8.903 -2.285 1.00 15.40 O ATOM 0 H TYR A 21 -5.455 8.712 -8.741 1.00 43.41 H new ATOM 0 HA TYR A 21 -7.717 10.091 -7.783 1.00 14.50 H new ATOM 0 HB2 TYR A 21 -7.197 7.700 -7.321 1.00 62.42 H new ATOM 0 HB3 TYR A 21 -5.873 8.197 -6.286 1.00 62.42 H new ATOM 0 HD1 TYR A 21 -6.307 9.007 -4.012 1.00 24.30 H new ATOM 0 HD2 TYR A 21 -9.552 8.197 -6.642 1.00 21.12 H new ATOM 0 HE1 TYR A 21 -7.873 9.180 -2.144 1.00 44.04 H new ATOM 0 HE2 TYR A 21 -11.107 8.371 -4.762 1.00 11.43 H new ATOM 0 HH TYR A 21 -10.431 8.075 -1.761 1.00 15.40 H new ATOM 121 N GLN A 22 -4.839 11.160 -6.737 1.00 54.43 N ATOM 122 CA GLN A 22 -4.185 12.233 -6.011 1.00 33.25 C ATOM 123 C GLN A 22 -4.861 13.565 -6.358 1.00 62.53 C ATOM 124 O GLN A 22 -5.077 14.402 -5.488 1.00 25.24 O ATOM 125 CB GLN A 22 -2.691 12.272 -6.328 1.00 2.43 C ATOM 126 CG GLN A 22 -1.924 13.349 -5.578 1.00 62.31 C ATOM 127 CD GLN A 22 -0.442 13.349 -5.901 1.00 64.53 C ATOM 128 OE1 GLN A 22 -0.028 12.973 -6.983 1.00 74.14 O ATOM 129 NE2 GLN A 22 0.365 13.782 -4.964 1.00 63.45 N ATOM 0 H GLN A 22 -4.225 10.644 -7.367 1.00 54.43 H new ATOM 0 HA GLN A 22 -4.284 12.056 -4.940 1.00 33.25 H new ATOM 0 HB2 GLN A 22 -2.255 11.301 -6.093 1.00 2.43 H new ATOM 0 HB3 GLN A 22 -2.562 12.429 -7.399 1.00 2.43 H new ATOM 0 HG2 GLN A 22 -2.344 14.325 -5.822 1.00 62.31 H new ATOM 0 HG3 GLN A 22 -2.057 13.204 -4.506 1.00 62.31 H new ATOM 0 HE21 GLN A 22 -0.013 14.090 -4.068 1.00 63.45 H new ATOM 0 HE22 GLN A 22 1.371 13.811 -5.131 1.00 63.45 H new ATOM 138 N GLN A 23 -5.266 13.692 -7.615 1.00 72.13 N ATOM 139 CA GLN A 23 -6.002 14.859 -8.106 1.00 52.30 C ATOM 140 C GLN A 23 -7.364 14.939 -7.401 1.00 22.14 C ATOM 141 O GLN A 23 -7.810 16.009 -6.991 1.00 21.04 O ATOM 142 CB GLN A 23 -6.223 14.721 -9.608 1.00 1.32 C ATOM 143 CG GLN A 23 -7.058 15.819 -10.236 1.00 35.31 C ATOM 144 CD GLN A 23 -7.559 15.462 -11.624 1.00 10.42 C ATOM 145 OE1 GLN A 23 -8.624 15.929 -12.053 1.00 22.15 O ATOM 146 NE2 GLN A 23 -6.859 14.603 -12.306 1.00 2.03 N ATOM 0 H GLN A 23 -5.094 12.986 -8.330 1.00 72.13 H new ATOM 0 HA GLN A 23 -5.429 15.763 -7.899 1.00 52.30 H new ATOM 0 HB2 GLN A 23 -5.252 14.696 -10.102 1.00 1.32 H new ATOM 0 HB3 GLN A 23 -6.704 13.763 -9.803 1.00 1.32 H new ATOM 0 HG2 GLN A 23 -7.911 16.033 -9.592 1.00 35.31 H new ATOM 0 HG3 GLN A 23 -6.465 16.732 -10.293 1.00 35.31 H new ATOM 0 HE21 GLN A 23 -5.987 14.238 -11.924 1.00 2.03 H new ATOM 0 HE22 GLN A 23 -7.183 14.295 -13.223 1.00 2.03 H new ATOM 155 N LEU A 24 -8.019 13.793 -7.259 1.00 23.11 N ATOM 156 CA LEU A 24 -9.300 13.740 -6.565 1.00 4.22 C ATOM 157 C LEU A 24 -9.100 14.080 -5.087 1.00 63.11 C ATOM 158 O LEU A 24 -9.882 14.824 -4.501 1.00 72.23 O ATOM 159 CB LEU A 24 -10.033 12.356 -6.803 1.00 53.42 C ATOM 160 CG LEU A 24 -11.381 12.106 -6.081 1.00 54.21 C ATOM 161 CD1 LEU A 24 -12.101 10.964 -6.737 1.00 5.05 C ATOM 162 CD2 LEU A 24 -11.188 11.758 -4.621 1.00 42.13 C ATOM 0 H LEU A 24 -7.688 12.895 -7.612 1.00 23.11 H new ATOM 0 HA LEU A 24 -9.969 14.493 -6.981 1.00 4.22 H new ATOM 0 HB2 LEU A 24 -10.205 12.250 -7.874 1.00 53.42 H new ATOM 0 HB3 LEU A 24 -9.347 11.561 -6.510 1.00 53.42 H new ATOM 0 HG LEU A 24 -11.957 13.029 -6.150 1.00 54.21 H new ATOM 0 HD11 LEU A 24 -13.049 10.790 -6.227 1.00 5.05 H new ATOM 0 HD12 LEU A 24 -12.291 11.206 -7.783 1.00 5.05 H new ATOM 0 HD13 LEU A 24 -11.487 10.065 -6.678 1.00 5.05 H new ATOM 0 HD21 LEU A 24 -12.159 11.591 -4.155 1.00 42.13 H new ATOM 0 HD22 LEU A 24 -10.586 10.853 -4.539 1.00 42.13 H new ATOM 0 HD23 LEU A 24 -10.679 12.579 -4.115 1.00 42.13 H new ATOM 174 N ARG A 25 -8.015 13.573 -4.520 1.00 11.14 N ATOM 175 CA ARG A 25 -7.681 13.782 -3.119 1.00 74.41 C ATOM 176 C ARG A 25 -7.503 15.278 -2.864 1.00 41.13 C ATOM 177 O ARG A 25 -8.061 15.832 -1.914 1.00 2.24 O ATOM 178 CB ARG A 25 -6.372 13.073 -2.769 1.00 42.30 C ATOM 179 CG ARG A 25 -6.249 12.776 -1.301 1.00 64.35 C ATOM 180 CD ARG A 25 -6.960 11.513 -0.975 1.00 23.23 C ATOM 181 NE ARG A 25 -6.171 10.310 -1.272 1.00 52.50 N ATOM 182 CZ ARG A 25 -5.664 9.527 -0.313 1.00 72.34 C ATOM 183 NH1 ARG A 25 -5.546 10.005 0.907 1.00 45.22 N1+ ATOM 184 NH2 ARG A 25 -5.216 8.303 -0.584 1.00 71.52 N ATOM 0 H ARG A 25 -7.337 13.001 -5.023 1.00 11.14 H new ATOM 0 HA ARG A 25 -8.486 13.379 -2.505 1.00 74.41 H new ATOM 0 HB2 ARG A 25 -6.306 12.141 -3.331 1.00 42.30 H new ATOM 0 HB3 ARG A 25 -5.532 13.694 -3.082 1.00 42.30 H new ATOM 0 HG2 ARG A 25 -5.198 12.692 -1.026 1.00 64.35 H new ATOM 0 HG3 ARG A 25 -6.666 13.598 -0.719 1.00 64.35 H new ATOM 0 HD2 ARG A 25 -7.223 11.515 0.083 1.00 23.23 H new ATOM 0 HD3 ARG A 25 -7.894 11.474 -1.536 1.00 23.23 H new ATOM 0 HE ARG A 25 -6.003 10.062 -2.247 1.00 52.50 H new ATOM 0 HH11 ARG A 25 -5.839 10.960 1.111 1.00 45.22 H new ATOM 0 HH12 ARG A 25 -5.161 9.420 1.649 1.00 45.22 H new ATOM 0 HH21 ARG A 25 -5.255 7.945 -1.538 1.00 71.52 H new ATOM 0 HH22 ARG A 25 -4.833 7.723 0.163 1.00 71.52 H new ATOM 198 N GLU A 26 -6.725 15.897 -3.750 1.00 62.10 N ATOM 199 CA GLU A 26 -6.434 17.324 -3.775 1.00 2.10 C ATOM 200 C GLU A 26 -7.728 18.126 -3.683 1.00 12.00 C ATOM 201 O GLU A 26 -7.893 19.011 -2.834 1.00 70.24 O ATOM 202 CB GLU A 26 -5.756 17.609 -5.130 1.00 24.11 C ATOM 203 CG GLU A 26 -5.475 19.061 -5.453 1.00 2.04 C ATOM 204 CD GLU A 26 -5.027 19.239 -6.899 1.00 33.41 C ATOM 205 OE1 GLU A 26 -3.836 19.118 -7.174 1.00 51.14 O ATOM 206 OE2 GLU A 26 -5.900 19.484 -7.783 1.00 13.13 O1- ATOM 0 H GLU A 26 -6.260 15.391 -4.504 1.00 62.10 H new ATOM 0 HA GLU A 26 -5.797 17.606 -2.936 1.00 2.10 H new ATOM 0 HB2 GLU A 26 -4.813 17.064 -5.161 1.00 24.11 H new ATOM 0 HB3 GLU A 26 -6.386 17.200 -5.920 1.00 24.11 H new ATOM 0 HG2 GLU A 26 -6.372 19.654 -5.274 1.00 2.04 H new ATOM 0 HG3 GLU A 26 -4.703 19.440 -4.783 1.00 2.04 H new ATOM 213 N ARG A 27 -8.663 17.753 -4.505 1.00 4.35 N ATOM 214 CA ARG A 27 -9.878 18.487 -4.642 1.00 74.31 C ATOM 215 C ARG A 27 -10.908 18.172 -3.576 1.00 3.12 C ATOM 216 O ARG A 27 -11.793 18.965 -3.344 1.00 14.11 O ATOM 217 CB ARG A 27 -10.359 18.398 -6.073 1.00 64.00 C ATOM 218 CG ARG A 27 -9.280 18.984 -6.950 1.00 73.02 C ATOM 219 CD ARG A 27 -9.423 18.750 -8.422 1.00 54.25 C ATOM 220 NE ARG A 27 -8.154 19.125 -9.028 1.00 62.55 N ATOM 221 CZ ARG A 27 -7.829 19.214 -10.289 1.00 74.44 C ATOM 222 NH1 ARG A 27 -8.726 18.993 -11.255 1.00 13.21 N1+ ATOM 223 NH2 ARG A 27 -6.568 19.517 -10.579 1.00 14.32 N ATOM 0 H ARG A 27 -8.601 16.927 -5.100 1.00 4.35 H new ATOM 0 HA ARG A 27 -9.681 19.541 -4.444 1.00 74.31 H new ATOM 0 HB2 ARG A 27 -10.556 17.362 -6.348 1.00 64.00 H new ATOM 0 HB3 ARG A 27 -11.294 18.944 -6.198 1.00 64.00 H new ATOM 0 HG2 ARG A 27 -9.244 20.059 -6.776 1.00 73.02 H new ATOM 0 HG3 ARG A 27 -8.321 18.577 -6.630 1.00 73.02 H new ATOM 0 HD2 ARG A 27 -9.657 17.705 -8.627 1.00 54.25 H new ATOM 0 HD3 ARG A 27 -10.239 19.346 -8.832 1.00 54.25 H new ATOM 0 HE ARG A 27 -7.408 19.352 -8.370 1.00 62.55 H new ATOM 0 HH11 ARG A 27 -9.686 18.749 -11.013 1.00 13.21 H new ATOM 0 HH12 ARG A 27 -8.450 19.068 -12.234 1.00 13.21 H new ATOM 0 HH21 ARG A 27 -5.895 19.670 -9.828 1.00 14.32 H new ATOM 0 HH22 ARG A 27 -6.273 19.596 -11.552 1.00 14.32 H new ATOM 237 N LEU A 28 -10.765 17.050 -2.895 1.00 52.00 N ATOM 238 CA LEU A 28 -11.609 16.781 -1.732 1.00 45.22 C ATOM 239 C LEU A 28 -11.220 17.689 -0.588 1.00 22.33 C ATOM 240 O LEU A 28 -12.085 18.197 0.146 1.00 60.21 O ATOM 241 CB LEU A 28 -11.573 15.317 -1.295 1.00 62.20 C ATOM 242 CG LEU A 28 -12.393 14.354 -2.137 1.00 54.24 C ATOM 243 CD1 LEU A 28 -12.282 12.962 -1.580 1.00 20.31 C ATOM 244 CD2 LEU A 28 -13.846 14.783 -2.160 1.00 74.32 C ATOM 0 H LEU A 28 -10.088 16.320 -3.116 1.00 52.00 H new ATOM 0 HA LEU A 28 -12.637 16.989 -2.028 1.00 45.22 H new ATOM 0 HB2 LEU A 28 -10.536 14.982 -1.300 1.00 62.20 H new ATOM 0 HB3 LEU A 28 -11.922 15.257 -0.264 1.00 62.20 H new ATOM 0 HG LEU A 28 -12.006 14.364 -3.156 1.00 54.24 H new ATOM 0 HD11 LEU A 28 -12.873 12.278 -2.189 1.00 20.31 H new ATOM 0 HD12 LEU A 28 -11.238 12.648 -1.590 1.00 20.31 H new ATOM 0 HD13 LEU A 28 -12.654 12.949 -0.556 1.00 20.31 H new ATOM 0 HD21 LEU A 28 -14.422 14.084 -2.767 1.00 74.32 H new ATOM 0 HD22 LEU A 28 -14.239 14.791 -1.143 1.00 74.32 H new ATOM 0 HD23 LEU A 28 -13.923 15.783 -2.586 1.00 74.32 H new ATOM 256 N ILE A 29 -9.914 17.916 -0.460 1.00 53.32 N ATOM 257 CA ILE A 29 -9.381 18.839 0.535 1.00 63.45 C ATOM 258 C ILE A 29 -9.911 20.233 0.211 1.00 62.30 C ATOM 259 O ILE A 29 -10.318 20.979 1.092 1.00 61.21 O ATOM 260 CB ILE A 29 -7.814 18.841 0.527 1.00 10.42 C ATOM 261 CG1 ILE A 29 -7.289 17.427 0.792 1.00 12.23 C ATOM 262 CG2 ILE A 29 -7.255 19.808 1.571 1.00 63.11 C ATOM 263 CD1 ILE A 29 -5.777 17.299 0.787 1.00 71.01 C ATOM 0 H ILE A 29 -9.203 17.469 -1.038 1.00 53.32 H new ATOM 0 HA ILE A 29 -9.699 18.527 1.530 1.00 63.45 H new ATOM 0 HB ILE A 29 -7.481 19.174 -0.456 1.00 10.42 H new ATOM 0 HG12 ILE A 29 -7.665 17.090 1.758 1.00 12.23 H new ATOM 0 HG13 ILE A 29 -7.699 16.755 0.038 1.00 12.23 H new ATOM 0 HG21 ILE A 29 -6.166 19.786 1.541 1.00 63.11 H new ATOM 0 HG22 ILE A 29 -7.604 20.818 1.355 1.00 63.11 H new ATOM 0 HG23 ILE A 29 -7.596 19.510 2.562 1.00 63.11 H new ATOM 0 HD11 ILE A 29 -5.499 16.264 0.983 1.00 71.01 H new ATOM 0 HD12 ILE A 29 -5.390 17.601 -0.186 1.00 71.01 H new ATOM 0 HD13 ILE A 29 -5.355 17.941 1.560 1.00 71.01 H new ATOM 275 N GLN A 30 -9.946 20.527 -1.080 1.00 41.42 N ATOM 276 CA GLN A 30 -10.475 21.770 -1.609 1.00 63.02 C ATOM 277 C GLN A 30 -11.973 21.938 -1.278 1.00 33.34 C ATOM 278 O GLN A 30 -12.351 22.897 -0.615 1.00 22.14 O ATOM 279 CB GLN A 30 -10.303 21.784 -3.129 1.00 35.34 C ATOM 280 CG GLN A 30 -10.879 23.005 -3.822 1.00 1.03 C ATOM 281 CD GLN A 30 -10.977 22.811 -5.316 1.00 52.21 C ATOM 282 OE1 GLN A 30 -10.067 23.114 -6.056 1.00 12.03 O ATOM 283 NE2 GLN A 30 -12.090 22.285 -5.765 1.00 35.34 N ATOM 0 H GLN A 30 -9.600 19.894 -1.801 1.00 41.42 H new ATOM 0 HA GLN A 30 -9.926 22.591 -1.148 1.00 63.02 H new ATOM 0 HB2 GLN A 30 -9.240 21.719 -3.361 1.00 35.34 H new ATOM 0 HB3 GLN A 30 -10.774 20.892 -3.542 1.00 35.34 H new ATOM 0 HG2 GLN A 30 -11.869 23.219 -3.418 1.00 1.03 H new ATOM 0 HG3 GLN A 30 -10.254 23.872 -3.609 1.00 1.03 H new ATOM 0 HE21 GLN A 30 -12.837 22.041 -5.115 1.00 35.34 H new ATOM 0 HE22 GLN A 30 -12.209 22.120 -6.764 1.00 35.34 H new ATOM 292 N GLU A 31 -12.803 20.981 -1.739 1.00 13.32 N ATOM 293 CA GLU A 31 -14.267 21.080 -1.633 1.00 20.41 C ATOM 294 C GLU A 31 -14.765 21.292 -0.225 1.00 41.00 C ATOM 295 O GLU A 31 -15.502 22.234 0.034 1.00 23.44 O ATOM 296 CB GLU A 31 -14.959 19.836 -2.155 1.00 14.13 C ATOM 297 CG GLU A 31 -14.820 19.532 -3.623 1.00 4.13 C ATOM 298 CD GLU A 31 -15.751 18.408 -3.982 1.00 70.42 C ATOM 299 OE1 GLU A 31 -16.627 18.606 -4.833 1.00 12.33 O ATOM 300 OE2 GLU A 31 -15.713 17.365 -3.299 1.00 14.35 O1- ATOM 0 H GLU A 31 -12.478 20.126 -2.191 1.00 13.32 H new ATOM 0 HA GLU A 31 -14.511 21.954 -2.238 1.00 20.41 H new ATOM 0 HB2 GLU A 31 -14.581 18.980 -1.596 1.00 14.13 H new ATOM 0 HB3 GLU A 31 -16.022 19.921 -1.927 1.00 14.13 H new ATOM 0 HG2 GLU A 31 -15.054 20.417 -4.214 1.00 4.13 H new ATOM 0 HG3 GLU A 31 -13.791 19.257 -3.854 1.00 4.13 H new ATOM 307 N LEU A 32 -14.377 20.426 0.686 1.00 72.22 N ATOM 308 CA LEU A 32 -14.916 20.525 2.019 1.00 4.42 C ATOM 309 C LEU A 32 -14.005 21.269 2.973 1.00 72.22 C ATOM 310 O LEU A 32 -14.296 21.335 4.163 1.00 32.52 O ATOM 311 CB LEU A 32 -15.236 19.142 2.533 1.00 3.43 C ATOM 312 CG LEU A 32 -16.304 18.388 1.770 1.00 34.12 C ATOM 313 CD1 LEU A 32 -16.361 16.964 2.252 1.00 53.04 C ATOM 314 CD2 LEU A 32 -17.656 19.065 1.929 1.00 31.52 C ATOM 0 H LEU A 32 -13.711 19.669 0.534 1.00 72.22 H new ATOM 0 HA LEU A 32 -15.830 21.116 1.965 1.00 4.42 H new ATOM 0 HB2 LEU A 32 -14.321 18.550 2.522 1.00 3.43 H new ATOM 0 HB3 LEU A 32 -15.549 19.225 3.574 1.00 3.43 H new ATOM 0 HG LEU A 32 -16.051 18.392 0.710 1.00 34.12 H new ATOM 0 HD11 LEU A 32 -17.131 16.424 1.701 1.00 53.04 H new ATOM 0 HD12 LEU A 32 -15.395 16.486 2.089 1.00 53.04 H new ATOM 0 HD13 LEU A 32 -16.598 16.949 3.316 1.00 53.04 H new ATOM 0 HD21 LEU A 32 -18.410 18.507 1.373 1.00 31.52 H new ATOM 0 HD22 LEU A 32 -17.928 19.090 2.984 1.00 31.52 H new ATOM 0 HD23 LEU A 32 -17.601 20.083 1.544 1.00 31.52 H new ATOM 326 N ASN A 33 -12.919 21.841 2.433 1.00 11.23 N ATOM 327 CA ASN A 33 -11.917 22.600 3.219 1.00 40.24 C ATOM 328 C ASN A 33 -11.412 21.716 4.367 1.00 42.20 C ATOM 329 O ASN A 33 -11.245 22.137 5.508 1.00 44.21 O ATOM 330 CB ASN A 33 -12.527 23.932 3.733 1.00 21.40 C ATOM 331 CG ASN A 33 -11.478 24.942 4.209 1.00 63.41 C ATOM 332 OD1 ASN A 33 -11.116 25.004 5.372 1.00 10.30 O ATOM 333 ND2 ASN A 33 -10.993 25.752 3.296 1.00 44.51 N ATOM 0 H ASN A 33 -12.704 21.794 1.437 1.00 11.23 H new ATOM 0 HA ASN A 33 -11.068 22.864 2.589 1.00 40.24 H new ATOM 0 HB2 ASN A 33 -13.118 24.383 2.936 1.00 21.40 H new ATOM 0 HB3 ASN A 33 -13.211 23.716 4.554 1.00 21.40 H new ATOM 0 HD21 ASN A 33 -10.298 26.453 3.553 1.00 44.51 H new ATOM 0 HD22 ASN A 33 -11.312 25.681 2.330 1.00 44.51 H new ATOM 340 N LEU A 34 -11.126 20.484 4.019 1.00 34.43 N ATOM 341 CA LEU A 34 -10.735 19.500 4.986 1.00 72.45 C ATOM 342 C LEU A 34 -9.287 19.710 5.327 1.00 12.31 C ATOM 343 O LEU A 34 -8.449 19.832 4.446 1.00 40.50 O ATOM 344 CB LEU A 34 -10.954 18.081 4.408 1.00 43.12 C ATOM 345 CG LEU A 34 -12.389 17.785 3.965 1.00 52.10 C ATOM 346 CD1 LEU A 34 -12.499 16.517 3.105 1.00 54.42 C ATOM 347 CD2 LEU A 34 -13.314 17.681 5.156 1.00 40.44 C ATOM 0 H LEU A 34 -11.159 20.141 3.059 1.00 34.43 H new ATOM 0 HA LEU A 34 -11.339 19.600 5.888 1.00 72.45 H new ATOM 0 HB2 LEU A 34 -10.289 17.944 3.555 1.00 43.12 H new ATOM 0 HB3 LEU A 34 -10.662 17.348 5.160 1.00 43.12 H new ATOM 0 HG LEU A 34 -12.694 18.627 3.343 1.00 52.10 H new ATOM 0 HD11 LEU A 34 -13.539 16.359 2.821 1.00 54.42 H new ATOM 0 HD12 LEU A 34 -11.892 16.632 2.207 1.00 54.42 H new ATOM 0 HD13 LEU A 34 -12.144 15.659 3.675 1.00 54.42 H new ATOM 0 HD21 LEU A 34 -14.327 17.470 4.813 1.00 40.44 H new ATOM 0 HD22 LEU A 34 -12.977 16.876 5.809 1.00 40.44 H new ATOM 0 HD23 LEU A 34 -13.306 18.622 5.706 1.00 40.44 H new ATOM 359 N THR A 35 -8.999 19.767 6.591 1.00 32.35 N ATOM 360 CA THR A 35 -7.661 19.916 7.046 1.00 11.31 C ATOM 361 C THR A 35 -6.960 18.579 6.752 1.00 74.51 C ATOM 362 O THR A 35 -7.604 17.552 6.856 1.00 41.03 O ATOM 363 CB THR A 35 -7.711 20.182 8.563 1.00 61.33 C ATOM 364 OG1 THR A 35 -8.737 21.149 8.818 1.00 72.54 O ATOM 365 CG2 THR A 35 -6.394 20.733 9.080 1.00 70.23 C ATOM 0 H THR A 35 -9.693 19.711 7.336 1.00 32.35 H new ATOM 0 HA THR A 35 -7.131 20.736 6.562 1.00 11.31 H new ATOM 0 HB THR A 35 -7.911 19.239 9.071 1.00 61.33 H new ATOM 0 HG1 THR A 35 -8.784 21.330 9.780 1.00 72.54 H new ATOM 0 HG21 THR A 35 -6.469 20.908 10.153 1.00 70.23 H new ATOM 0 HG22 THR A 35 -5.597 20.015 8.884 1.00 70.23 H new ATOM 0 HG23 THR A 35 -6.169 21.672 8.575 1.00 70.23 H new ATOM 373 N PRO A 36 -5.680 18.554 6.331 1.00 60.22 N ATOM 374 CA PRO A 36 -4.967 17.284 6.032 1.00 73.52 C ATOM 375 C PRO A 36 -5.021 16.284 7.204 1.00 34.22 C ATOM 376 O PRO A 36 -5.021 15.086 7.003 1.00 70.42 O ATOM 377 CB PRO A 36 -3.532 17.736 5.767 1.00 35.21 C ATOM 378 CG PRO A 36 -3.663 19.145 5.301 1.00 3.24 C ATOM 379 CD PRO A 36 -4.831 19.730 6.050 1.00 10.24 C ATOM 0 HA PRO A 36 -5.418 16.751 5.195 1.00 73.52 H new ATOM 0 HB2 PRO A 36 -2.923 17.671 6.669 1.00 35.21 H new ATOM 0 HB3 PRO A 36 -3.052 17.112 5.013 1.00 35.21 H new ATOM 0 HG2 PRO A 36 -2.751 19.707 5.502 1.00 3.24 H new ATOM 0 HG3 PRO A 36 -3.832 19.185 4.225 1.00 3.24 H new ATOM 0 HD2 PRO A 36 -4.513 20.225 6.968 1.00 10.24 H new ATOM 0 HD3 PRO A 36 -5.359 20.474 5.454 1.00 10.24 H new ATOM 387 N GLN A 37 -5.087 16.809 8.418 1.00 43.50 N ATOM 388 CA GLN A 37 -5.224 15.997 9.615 1.00 41.51 C ATOM 389 C GLN A 37 -6.606 15.323 9.667 1.00 11.42 C ATOM 390 O GLN A 37 -6.776 14.294 10.299 1.00 72.21 O ATOM 391 CB GLN A 37 -4.984 16.815 10.912 1.00 52.01 C ATOM 392 CG GLN A 37 -3.556 17.370 11.115 1.00 51.42 C ATOM 393 CD GLN A 37 -3.227 18.658 10.345 1.00 54.30 C ATOM 394 OE1 GLN A 37 -3.752 18.933 9.275 1.00 23.20 O ATOM 395 NE2 GLN A 37 -2.350 19.451 10.897 1.00 70.45 N ATOM 0 H GLN A 37 -5.047 17.812 8.600 1.00 43.50 H new ATOM 0 HA GLN A 37 -4.453 15.228 9.561 1.00 41.51 H new ATOM 0 HB2 GLN A 37 -5.682 17.652 10.923 1.00 52.01 H new ATOM 0 HB3 GLN A 37 -5.231 16.184 11.766 1.00 52.01 H new ATOM 0 HG2 GLN A 37 -3.406 17.556 12.179 1.00 51.42 H new ATOM 0 HG3 GLN A 37 -2.842 16.601 10.822 1.00 51.42 H new ATOM 0 HE21 GLN A 37 -1.926 19.200 11.790 1.00 70.45 H new ATOM 0 HE22 GLN A 37 -2.088 20.322 10.435 1.00 70.45 H new ATOM 404 N GLN A 38 -7.581 15.925 8.999 1.00 43.41 N ATOM 405 CA GLN A 38 -8.904 15.379 8.916 1.00 63.12 C ATOM 406 C GLN A 38 -8.979 14.472 7.712 1.00 63.32 C ATOM 407 O GLN A 38 -9.575 13.397 7.751 1.00 71.42 O ATOM 408 CB GLN A 38 -9.947 16.505 8.775 1.00 42.03 C ATOM 409 CG GLN A 38 -11.363 15.996 8.675 1.00 11.31 C ATOM 410 CD GLN A 38 -12.396 17.089 8.824 1.00 61.03 C ATOM 411 OE1 GLN A 38 -12.162 18.087 9.476 1.00 63.43 O ATOM 412 NE2 GLN A 38 -13.555 16.886 8.263 1.00 52.52 N ATOM 0 H GLN A 38 -7.463 16.808 8.502 1.00 43.41 H new ATOM 0 HA GLN A 38 -9.119 14.820 9.827 1.00 63.12 H new ATOM 0 HB2 GLN A 38 -9.868 17.174 9.632 1.00 42.03 H new ATOM 0 HB3 GLN A 38 -9.717 17.095 7.888 1.00 42.03 H new ATOM 0 HG2 GLN A 38 -11.499 15.504 7.712 1.00 11.31 H new ATOM 0 HG3 GLN A 38 -11.527 15.241 9.444 1.00 11.31 H new ATOM 0 HE21 GLN A 38 -13.718 16.037 7.722 1.00 52.52 H new ATOM 0 HE22 GLN A 38 -14.299 17.576 8.365 1.00 52.52 H new ATOM 421 N LEU A 39 -8.337 14.895 6.653 1.00 14.21 N ATOM 422 CA LEU A 39 -8.389 14.201 5.408 1.00 14.23 C ATOM 423 C LEU A 39 -7.284 13.126 5.349 1.00 45.41 C ATOM 424 O LEU A 39 -6.310 13.211 4.614 1.00 71.24 O ATOM 425 CB LEU A 39 -8.376 15.234 4.246 1.00 11.21 C ATOM 426 CG LEU A 39 -8.859 14.790 2.857 1.00 31.44 C ATOM 427 CD1 LEU A 39 -7.756 14.137 2.046 1.00 24.12 C ATOM 428 CD2 LEU A 39 -10.056 13.856 2.974 1.00 73.52 C ATOM 0 H LEU A 39 -7.762 15.737 6.638 1.00 14.21 H new ATOM 0 HA LEU A 39 -9.321 13.645 5.301 1.00 14.23 H new ATOM 0 HB2 LEU A 39 -8.987 16.083 4.552 1.00 11.21 H new ATOM 0 HB3 LEU A 39 -7.354 15.598 4.139 1.00 11.21 H new ATOM 0 HG LEU A 39 -9.164 15.691 2.324 1.00 31.44 H new ATOM 0 HD11 LEU A 39 -8.147 13.841 1.073 1.00 24.12 H new ATOM 0 HD12 LEU A 39 -6.938 14.844 1.909 1.00 24.12 H new ATOM 0 HD13 LEU A 39 -7.389 13.256 2.573 1.00 24.12 H new ATOM 0 HD21 LEU A 39 -10.381 13.554 1.978 1.00 73.52 H new ATOM 0 HD22 LEU A 39 -9.774 12.973 3.547 1.00 73.52 H new ATOM 0 HD23 LEU A 39 -10.872 14.372 3.481 1.00 73.52 H new ATOM 440 N HIS A 40 -7.454 12.176 6.224 1.00 42.30 N ATOM 441 CA HIS A 40 -6.629 10.986 6.347 1.00 24.01 C ATOM 442 C HIS A 40 -7.357 9.873 5.579 1.00 72.05 C ATOM 443 O HIS A 40 -8.538 10.030 5.295 1.00 11.12 O ATOM 444 CB HIS A 40 -6.509 10.648 7.869 1.00 14.41 C ATOM 445 CG HIS A 40 -5.689 9.431 8.231 1.00 33.01 C ATOM 446 ND1 HIS A 40 -6.022 8.541 9.241 1.00 22.43 N ATOM 447 CD2 HIS A 40 -4.520 8.977 7.713 1.00 41.32 C ATOM 448 CE1 HIS A 40 -5.076 7.607 9.297 1.00 63.25 C ATOM 449 NE2 HIS A 40 -4.138 7.824 8.386 1.00 52.24 N ATOM 0 H HIS A 40 -8.208 12.203 6.911 1.00 42.30 H new ATOM 0 HA HIS A 40 -5.625 11.113 5.943 1.00 24.01 H new ATOM 0 HB2 HIS A 40 -6.079 11.511 8.377 1.00 14.41 H new ATOM 0 HB3 HIS A 40 -7.514 10.512 8.268 1.00 14.41 H new ATOM 0 HD1 HIS A 40 -6.848 8.593 9.837 1.00 22.43 H new ATOM 0 HD2 HIS A 40 -3.973 9.439 6.905 1.00 41.32 H new ATOM 0 HE1 HIS A 40 -5.073 6.781 9.993 1.00 63.25 H new ATOM 457 N GLU A 41 -6.681 8.757 5.251 1.00 44.03 N ATOM 458 CA GLU A 41 -7.297 7.611 4.498 1.00 3.02 C ATOM 459 C GLU A 41 -8.615 7.157 5.166 1.00 10.34 C ATOM 460 O GLU A 41 -9.568 6.722 4.510 1.00 5.40 O ATOM 461 CB GLU A 41 -6.343 6.390 4.480 1.00 34.13 C ATOM 462 CG GLU A 41 -4.910 6.672 4.063 1.00 22.53 C ATOM 463 CD GLU A 41 -4.819 7.440 2.783 1.00 0.41 C ATOM 464 OE1 GLU A 41 -4.958 6.854 1.685 1.00 74.22 O ATOM 465 OE2 GLU A 41 -4.630 8.650 2.860 1.00 30.40 O1- ATOM 0 H GLU A 41 -5.701 8.609 5.490 1.00 44.03 H new ATOM 0 HA GLU A 41 -7.487 7.962 3.484 1.00 3.02 H new ATOM 0 HB2 GLU A 41 -6.330 5.949 5.477 1.00 34.13 H new ATOM 0 HB3 GLU A 41 -6.756 5.641 3.805 1.00 34.13 H new ATOM 0 HG2 GLU A 41 -4.410 7.232 4.853 1.00 22.53 H new ATOM 0 HG3 GLU A 41 -4.376 5.728 3.954 1.00 22.53 H new ATOM 472 N GLU A 42 -8.631 7.350 6.451 1.00 42.00 N ATOM 473 CA GLU A 42 -9.651 6.945 7.395 1.00 72.24 C ATOM 474 C GLU A 42 -10.874 7.911 7.414 1.00 60.41 C ATOM 475 O GLU A 42 -11.913 7.591 7.991 1.00 61.22 O ATOM 476 CB GLU A 42 -8.912 6.978 8.718 1.00 75.55 C ATOM 477 CG GLU A 42 -9.687 6.840 9.991 1.00 2.14 C ATOM 478 CD GLU A 42 -8.763 7.123 11.142 1.00 72.14 C ATOM 479 OE1 GLU A 42 -8.024 8.150 11.057 1.00 23.52 O ATOM 480 OE2 GLU A 42 -8.740 6.345 12.098 1.00 50.10 O1- ATOM 0 H GLU A 42 -7.865 7.838 6.915 1.00 42.00 H new ATOM 0 HA GLU A 42 -10.081 5.974 7.149 1.00 72.24 H new ATOM 0 HB2 GLU A 42 -8.169 6.181 8.698 1.00 75.55 H new ATOM 0 HB3 GLU A 42 -8.367 7.921 8.766 1.00 75.55 H new ATOM 0 HG2 GLU A 42 -10.528 7.534 10.000 1.00 2.14 H new ATOM 0 HG3 GLU A 42 -10.102 5.835 10.076 1.00 2.14 H new ATOM 487 N SER A 43 -10.761 9.051 6.757 1.00 1.33 N ATOM 488 CA SER A 43 -11.823 10.048 6.786 1.00 12.42 C ATOM 489 C SER A 43 -13.121 9.557 6.131 1.00 74.41 C ATOM 490 O SER A 43 -13.142 9.182 4.947 1.00 22.23 O ATOM 491 CB SER A 43 -11.354 11.365 6.152 1.00 4.42 C ATOM 492 OG SER A 43 -10.863 11.167 4.835 1.00 42.23 O ATOM 0 H SER A 43 -9.949 9.312 6.198 1.00 1.33 H new ATOM 0 HA SER A 43 -12.053 10.227 7.836 1.00 12.42 H new ATOM 0 HB2 SER A 43 -12.182 12.073 6.129 1.00 4.42 H new ATOM 0 HB3 SER A 43 -10.572 11.808 6.769 1.00 4.42 H new ATOM 0 HG SER A 43 -9.895 11.017 4.866 1.00 42.23 H new ATOM 498 N ASN A 44 -14.188 9.512 6.921 1.00 75.42 N ATOM 499 CA ASN A 44 -15.499 9.176 6.402 1.00 53.14 C ATOM 500 C ASN A 44 -16.015 10.360 5.617 1.00 41.54 C ATOM 501 O ASN A 44 -16.424 11.376 6.180 1.00 31.51 O ATOM 502 CB ASN A 44 -16.483 8.774 7.524 1.00 42.14 C ATOM 503 CG ASN A 44 -17.876 8.335 7.016 1.00 74.52 C ATOM 504 OD1 ASN A 44 -18.390 8.815 6.000 1.00 11.03 O ATOM 505 ND2 ASN A 44 -18.490 7.417 7.721 1.00 22.31 N ATOM 0 H ASN A 44 -14.166 9.705 7.922 1.00 75.42 H new ATOM 0 HA ASN A 44 -15.414 8.306 5.751 1.00 53.14 H new ATOM 0 HB2 ASN A 44 -16.046 7.959 8.101 1.00 42.14 H new ATOM 0 HB3 ASN A 44 -16.605 9.617 8.204 1.00 42.14 H new ATOM 0 HD21 ASN A 44 -19.411 7.085 7.434 1.00 22.31 H new ATOM 0 HD22 ASN A 44 -18.047 7.034 8.556 1.00 22.31 H new ATOM 512 N LEU A 45 -15.982 10.216 4.330 1.00 52.03 N ATOM 513 CA LEU A 45 -16.317 11.274 3.407 1.00 71.55 C ATOM 514 C LEU A 45 -17.802 11.646 3.367 1.00 34.43 C ATOM 515 O LEU A 45 -18.145 12.773 3.001 1.00 41.24 O ATOM 516 CB LEU A 45 -15.784 10.943 2.033 1.00 23.51 C ATOM 517 CG LEU A 45 -14.263 11.052 1.852 1.00 34.15 C ATOM 518 CD1 LEU A 45 -13.874 10.486 0.514 1.00 72.43 C ATOM 519 CD2 LEU A 45 -13.812 12.524 1.966 1.00 15.35 C ATOM 0 H LEU A 45 -15.717 9.343 3.873 1.00 52.03 H new ATOM 0 HA LEU A 45 -15.829 12.173 3.783 1.00 71.55 H new ATOM 0 HB2 LEU A 45 -16.087 9.926 1.784 1.00 23.51 H new ATOM 0 HB3 LEU A 45 -16.263 11.604 1.311 1.00 23.51 H new ATOM 0 HG LEU A 45 -13.768 10.482 2.638 1.00 34.15 H new ATOM 0 HD11 LEU A 45 -12.794 10.564 0.386 1.00 72.43 H new ATOM 0 HD12 LEU A 45 -14.171 9.439 0.462 1.00 72.43 H new ATOM 0 HD13 LEU A 45 -14.374 11.045 -0.277 1.00 72.43 H new ATOM 0 HD21 LEU A 45 -12.732 12.585 1.835 1.00 15.35 H new ATOM 0 HD22 LEU A 45 -14.304 13.116 1.195 1.00 15.35 H new ATOM 0 HD23 LEU A 45 -14.081 12.912 2.948 1.00 15.35 H new ATOM 531 N ILE A 46 -18.678 10.745 3.764 1.00 33.22 N ATOM 532 CA ILE A 46 -20.107 11.073 3.772 1.00 73.24 C ATOM 533 C ILE A 46 -20.380 12.018 4.933 1.00 50.21 C ATOM 534 O ILE A 46 -21.071 13.018 4.786 1.00 23.54 O ATOM 535 CB ILE A 46 -21.021 9.809 3.868 1.00 2.04 C ATOM 536 CG1 ILE A 46 -20.832 8.891 2.648 1.00 30.31 C ATOM 537 CG2 ILE A 46 -22.497 10.185 4.032 1.00 33.42 C ATOM 538 CD1 ILE A 46 -21.163 9.513 1.309 1.00 51.14 C ATOM 0 H ILE A 46 -18.445 9.803 4.079 1.00 33.22 H new ATOM 0 HA ILE A 46 -20.351 11.550 2.823 1.00 73.24 H new ATOM 0 HB ILE A 46 -20.716 9.263 4.760 1.00 2.04 H new ATOM 0 HG12 ILE A 46 -19.796 8.553 2.626 1.00 30.31 H new ATOM 0 HG13 ILE A 46 -21.453 8.005 2.781 1.00 30.31 H new ATOM 0 HG21 ILE A 46 -23.099 9.278 4.095 1.00 33.42 H new ATOM 0 HG22 ILE A 46 -22.625 10.769 4.943 1.00 33.42 H new ATOM 0 HG23 ILE A 46 -22.819 10.776 3.174 1.00 33.42 H new ATOM 0 HD11 ILE A 46 -20.996 8.783 0.517 1.00 51.14 H new ATOM 0 HD12 ILE A 46 -22.208 9.824 1.301 1.00 51.14 H new ATOM 0 HD13 ILE A 46 -20.524 10.381 1.143 1.00 51.14 H new ATOM 550 N GLN A 47 -19.727 11.741 6.050 1.00 1.21 N ATOM 551 CA GLN A 47 -19.876 12.545 7.257 1.00 71.24 C ATOM 552 C GLN A 47 -19.080 13.832 7.127 1.00 13.13 C ATOM 553 O GLN A 47 -19.285 14.778 7.874 1.00 21.01 O ATOM 554 CB GLN A 47 -19.421 11.772 8.501 1.00 23.32 C ATOM 555 CG GLN A 47 -20.180 10.474 8.756 1.00 34.23 C ATOM 556 CD GLN A 47 -21.680 10.670 8.850 1.00 52.32 C ATOM 557 OE1 GLN A 47 -22.387 10.578 7.866 1.00 24.21 O ATOM 558 NE2 GLN A 47 -22.168 10.950 10.029 1.00 23.31 N ATOM 0 H GLN A 47 -19.082 10.957 6.148 1.00 1.21 H new ATOM 0 HA GLN A 47 -20.933 12.783 7.374 1.00 71.24 H new ATOM 0 HB2 GLN A 47 -18.360 11.543 8.402 1.00 23.32 H new ATOM 0 HB3 GLN A 47 -19.528 12.417 9.373 1.00 23.32 H new ATOM 0 HG2 GLN A 47 -19.961 9.769 7.954 1.00 34.23 H new ATOM 0 HG3 GLN A 47 -19.820 10.025 9.682 1.00 34.23 H new ATOM 0 HE21 GLN A 47 -21.546 11.020 10.835 1.00 23.31 H new ATOM 0 HE22 GLN A 47 -23.171 11.099 10.144 1.00 23.31 H new ATOM 567 N ALA A 48 -18.144 13.837 6.192 1.00 33.34 N ATOM 568 CA ALA A 48 -17.374 15.020 5.891 1.00 75.51 C ATOM 569 C ALA A 48 -18.227 15.976 5.072 1.00 5.34 C ATOM 570 O ALA A 48 -18.023 17.184 5.095 1.00 3.23 O ATOM 571 CB ALA A 48 -16.094 14.656 5.152 1.00 1.22 C ATOM 0 H ALA A 48 -17.902 13.023 5.626 1.00 33.34 H new ATOM 0 HA ALA A 48 -17.085 15.510 6.821 1.00 75.51 H new ATOM 0 HB1 ALA A 48 -15.529 15.562 4.935 1.00 1.22 H new ATOM 0 HB2 ALA A 48 -15.492 13.993 5.773 1.00 1.22 H new ATOM 0 HB3 ALA A 48 -16.344 14.152 4.218 1.00 1.22 H new ATOM 577 N GLY A 49 -19.175 15.417 4.338 1.00 20.21 N ATOM 578 CA GLY A 49 -20.106 16.229 3.610 1.00 32.42 C ATOM 579 C GLY A 49 -20.047 16.080 2.097 1.00 41.32 C ATOM 580 O GLY A 49 -20.162 17.073 1.357 1.00 11.12 O ATOM 0 H GLY A 49 -19.311 14.411 4.238 1.00 20.21 H new ATOM 0 HA2 GLY A 49 -21.115 15.986 3.944 1.00 32.42 H new ATOM 0 HA3 GLY A 49 -19.929 17.274 3.864 1.00 32.42 H new ATOM 584 N LEU A 50 -19.844 14.881 1.614 1.00 23.13 N ATOM 585 CA LEU A 50 -19.926 14.654 0.188 1.00 0.41 C ATOM 586 C LEU A 50 -21.346 14.313 -0.156 1.00 75.25 C ATOM 587 O LEU A 50 -21.815 13.215 0.144 1.00 60.42 O ATOM 588 CB LEU A 50 -19.007 13.535 -0.286 1.00 53.11 C ATOM 589 CG LEU A 50 -17.512 13.692 -0.008 1.00 33.55 C ATOM 590 CD1 LEU A 50 -16.790 12.639 -0.746 1.00 30.12 C ATOM 591 CD2 LEU A 50 -16.981 15.026 -0.450 1.00 2.41 C ATOM 0 H LEU A 50 -19.624 14.057 2.173 1.00 23.13 H new ATOM 0 HA LEU A 50 -19.602 15.564 -0.316 1.00 0.41 H new ATOM 0 HB2 LEU A 50 -19.340 12.606 0.176 1.00 53.11 H new ATOM 0 HB3 LEU A 50 -19.140 13.422 -1.362 1.00 53.11 H new ATOM 0 HG LEU A 50 -17.363 13.613 1.069 1.00 33.55 H new ATOM 0 HD11 LEU A 50 -15.720 12.733 -0.561 1.00 30.12 H new ATOM 0 HD12 LEU A 50 -17.131 11.660 -0.410 1.00 30.12 H new ATOM 0 HD13 LEU A 50 -16.984 12.744 -1.813 1.00 30.12 H new ATOM 0 HD21 LEU A 50 -15.915 15.085 -0.229 1.00 2.41 H new ATOM 0 HD22 LEU A 50 -17.136 15.142 -1.523 1.00 2.41 H new ATOM 0 HD23 LEU A 50 -17.506 15.820 0.081 1.00 2.41 H new ATOM 603 N ASP A 51 -22.047 15.275 -0.713 1.00 24.03 N ATOM 604 CA ASP A 51 -23.421 15.081 -1.147 1.00 73.03 C ATOM 605 C ASP A 51 -23.427 14.130 -2.311 1.00 74.23 C ATOM 606 O ASP A 51 -22.414 13.980 -3.000 1.00 74.13 O ATOM 607 CB ASP A 51 -24.066 16.403 -1.568 1.00 70.33 C ATOM 608 CG ASP A 51 -23.314 17.062 -2.694 1.00 23.14 C ATOM 609 OD1 ASP A 51 -23.591 16.747 -3.884 1.00 53.22 O ATOM 610 OD2 ASP A 51 -22.407 17.865 -2.393 1.00 42.00 O1- ATOM 0 H ASP A 51 -21.686 16.214 -0.880 1.00 24.03 H new ATOM 0 HA ASP A 51 -23.997 14.677 -0.315 1.00 73.03 H new ATOM 0 HB2 ASP A 51 -25.096 16.222 -1.876 1.00 70.33 H new ATOM 0 HB3 ASP A 51 -24.103 17.077 -0.713 1.00 70.33 H new ATOM 615 N SER A 52 -24.545 13.521 -2.558 1.00 53.30 N ATOM 616 CA SER A 52 -24.637 12.526 -3.575 1.00 31.25 C ATOM 617 C SER A 52 -24.443 13.054 -5.001 1.00 53.52 C ATOM 618 O SER A 52 -24.143 12.264 -5.903 1.00 42.51 O ATOM 619 CB SER A 52 -25.921 11.778 -3.459 1.00 31.02 C ATOM 620 OG SER A 52 -26.096 11.281 -2.145 1.00 42.04 O ATOM 0 H SER A 52 -25.417 13.701 -2.060 1.00 53.30 H new ATOM 0 HA SER A 52 -23.799 11.851 -3.401 1.00 31.25 H new ATOM 0 HB2 SER A 52 -26.753 12.432 -3.719 1.00 31.02 H new ATOM 0 HB3 SER A 52 -25.931 10.952 -4.170 1.00 31.02 H new ATOM 0 HG SER A 52 -26.945 10.795 -2.090 1.00 42.04 H new ATOM 626 N ILE A 53 -24.572 14.363 -5.234 1.00 41.43 N ATOM 627 CA ILE A 53 -24.344 14.833 -6.578 1.00 71.51 C ATOM 628 C ILE A 53 -22.884 14.870 -6.805 1.00 74.31 C ATOM 629 O ILE A 53 -22.416 14.355 -7.800 1.00 75.23 O ATOM 630 CB ILE A 53 -24.919 16.221 -6.930 1.00 41.01 C ATOM 631 CG1 ILE A 53 -26.447 16.263 -6.696 1.00 34.43 C ATOM 632 CG2 ILE A 53 -24.576 16.544 -8.415 1.00 31.41 C ATOM 633 CD1 ILE A 53 -27.245 15.252 -7.509 1.00 14.31 C ATOM 0 H ILE A 53 -24.820 15.072 -4.544 1.00 41.43 H new ATOM 0 HA ILE A 53 -24.878 14.134 -7.221 1.00 71.51 H new ATOM 0 HB ILE A 53 -24.472 16.974 -6.281 1.00 41.01 H new ATOM 0 HG12 ILE A 53 -26.643 16.093 -5.637 1.00 34.43 H new ATOM 0 HG13 ILE A 53 -26.809 17.264 -6.931 1.00 34.43 H new ATOM 0 HG21 ILE A 53 -24.977 17.523 -8.676 1.00 31.41 H new ATOM 0 HG22 ILE A 53 -23.494 16.549 -8.546 1.00 31.41 H new ATOM 0 HG23 ILE A 53 -25.017 15.787 -9.063 1.00 31.41 H new ATOM 0 HD11 ILE A 53 -28.305 15.356 -7.279 1.00 14.31 H new ATOM 0 HD12 ILE A 53 -27.085 15.432 -8.572 1.00 14.31 H new ATOM 0 HD13 ILE A 53 -26.917 14.243 -7.259 1.00 14.31 H new ATOM 645 N ARG A 54 -22.159 15.453 -5.866 1.00 52.43 N ATOM 646 CA ARG A 54 -20.719 15.519 -5.941 1.00 72.04 C ATOM 647 C ARG A 54 -20.117 14.144 -5.849 1.00 51.44 C ATOM 648 O ARG A 54 -19.156 13.838 -6.542 1.00 25.53 O ATOM 649 CB ARG A 54 -20.178 16.455 -4.894 1.00 41.25 C ATOM 650 CG ARG A 54 -20.351 17.921 -5.263 1.00 73.41 C ATOM 651 CD ARG A 54 -20.116 18.813 -4.073 1.00 63.15 C ATOM 652 NE ARG A 54 -18.905 18.456 -3.356 1.00 23.31 N ATOM 653 CZ ARG A 54 -18.848 18.198 -2.047 1.00 13.11 C ATOM 654 NH1 ARG A 54 -19.975 18.147 -1.307 1.00 12.52 N1+ ATOM 655 NH2 ARG A 54 -17.689 17.894 -1.502 1.00 23.02 N ATOM 0 H ARG A 54 -22.555 15.891 -5.035 1.00 52.43 H new ATOM 0 HA ARG A 54 -20.434 15.925 -6.912 1.00 72.04 H new ATOM 0 HB2 ARG A 54 -20.682 16.262 -3.947 1.00 41.25 H new ATOM 0 HB3 ARG A 54 -19.119 16.247 -4.740 1.00 41.25 H new ATOM 0 HG2 ARG A 54 -19.655 18.183 -6.060 1.00 73.41 H new ATOM 0 HG3 ARG A 54 -21.356 18.085 -5.651 1.00 73.41 H new ATOM 0 HD2 ARG A 54 -20.049 19.849 -4.404 1.00 63.15 H new ATOM 0 HD3 ARG A 54 -20.969 18.749 -3.398 1.00 63.15 H new ATOM 0 HE ARG A 54 -18.037 18.398 -3.889 1.00 23.31 H new ATOM 0 HH11 ARG A 54 -20.881 18.306 -1.747 1.00 12.52 H new ATOM 0 HH12 ARG A 54 -19.921 17.949 -0.308 1.00 12.52 H new ATOM 0 HH21 ARG A 54 -16.848 17.858 -2.078 1.00 23.02 H new ATOM 0 HH22 ARG A 54 -17.632 17.695 -0.503 1.00 23.02 H new ATOM 669 N LEU A 55 -20.749 13.296 -5.056 1.00 53.34 N ATOM 670 CA LEU A 55 -20.367 11.902 -4.918 1.00 10.13 C ATOM 671 C LEU A 55 -20.423 11.245 -6.304 1.00 40.34 C ATOM 672 O LEU A 55 -19.511 10.542 -6.723 1.00 32.25 O ATOM 673 CB LEU A 55 -21.358 11.192 -3.978 1.00 70.42 C ATOM 674 CG LEU A 55 -20.903 9.876 -3.351 1.00 33.33 C ATOM 675 CD1 LEU A 55 -19.605 10.051 -2.604 1.00 30.14 C ATOM 676 CD2 LEU A 55 -21.948 9.386 -2.395 1.00 2.25 C ATOM 0 H LEU A 55 -21.551 13.560 -4.483 1.00 53.34 H new ATOM 0 HA LEU A 55 -19.361 11.826 -4.505 1.00 10.13 H new ATOM 0 HB2 LEU A 55 -21.612 11.880 -3.172 1.00 70.42 H new ATOM 0 HB3 LEU A 55 -22.275 11.002 -4.535 1.00 70.42 H new ATOM 0 HG LEU A 55 -20.754 9.153 -4.153 1.00 33.33 H new ATOM 0 HD11 LEU A 55 -19.305 9.098 -2.168 1.00 30.14 H new ATOM 0 HD12 LEU A 55 -18.833 10.394 -3.292 1.00 30.14 H new ATOM 0 HD13 LEU A 55 -19.738 10.787 -1.811 1.00 30.14 H new ATOM 0 HD21 LEU A 55 -21.621 8.447 -1.949 1.00 2.25 H new ATOM 0 HD22 LEU A 55 -22.099 10.127 -1.610 1.00 2.25 H new ATOM 0 HD23 LEU A 55 -22.884 9.227 -2.930 1.00 2.25 H new ATOM 688 N MET A 56 -21.487 11.543 -7.026 1.00 71.14 N ATOM 689 CA MET A 56 -21.686 11.011 -8.353 1.00 71.10 C ATOM 690 C MET A 56 -20.895 11.805 -9.388 1.00 40.11 C ATOM 691 O MET A 56 -20.628 11.312 -10.479 1.00 2.12 O ATOM 692 CB MET A 56 -23.170 10.992 -8.700 1.00 1.42 C ATOM 693 CG MET A 56 -23.498 10.358 -10.042 1.00 34.35 C ATOM 694 SD MET A 56 -25.261 10.334 -10.369 1.00 43.23 S ATOM 695 CE MET A 56 -25.820 9.269 -9.034 1.00 44.04 C ATOM 0 H MET A 56 -22.234 12.160 -6.706 1.00 71.14 H new ATOM 0 HA MET A 56 -21.315 9.986 -8.368 1.00 71.10 H new ATOM 0 HB2 MET A 56 -23.706 10.454 -7.918 1.00 1.42 H new ATOM 0 HB3 MET A 56 -23.544 12.016 -8.696 1.00 1.42 H new ATOM 0 HG2 MET A 56 -22.991 10.908 -10.835 1.00 34.35 H new ATOM 0 HG3 MET A 56 -23.112 9.339 -10.064 1.00 34.35 H new ATOM 0 HE1 MET A 56 -26.777 8.821 -9.302 1.00 44.04 H new ATOM 0 HE2 MET A 56 -25.085 8.482 -8.865 1.00 44.04 H new ATOM 0 HE3 MET A 56 -25.938 9.857 -8.124 1.00 44.04 H new ATOM 705 N ARG A 57 -20.511 13.038 -9.052 1.00 63.13 N ATOM 706 CA ARG A 57 -19.703 13.819 -9.952 1.00 14.23 C ATOM 707 C ARG A 57 -18.361 13.128 -10.085 1.00 64.34 C ATOM 708 O ARG A 57 -17.808 12.997 -11.181 1.00 71.44 O ATOM 709 CB ARG A 57 -19.483 15.281 -9.494 1.00 50.14 C ATOM 710 CG ARG A 57 -20.726 16.190 -9.479 1.00 52.40 C ATOM 711 CD ARG A 57 -21.528 16.147 -10.787 1.00 50.51 C ATOM 712 NE ARG A 57 -22.374 14.934 -10.881 1.00 41.32 N ATOM 713 CZ ARG A 57 -22.704 14.287 -12.015 1.00 62.30 C ATOM 714 NH1 ARG A 57 -22.245 14.716 -13.195 1.00 43.53 N1+ ATOM 715 NH2 ARG A 57 -23.497 13.211 -11.965 1.00 74.55 N ATOM 0 H ARG A 57 -20.749 13.500 -8.174 1.00 63.13 H new ATOM 0 HA ARG A 57 -20.235 13.880 -10.902 1.00 14.23 H new ATOM 0 HB2 ARG A 57 -19.060 15.264 -8.489 1.00 50.14 H new ATOM 0 HB3 ARG A 57 -18.736 15.734 -10.146 1.00 50.14 H new ATOM 0 HG2 ARG A 57 -21.374 15.893 -8.654 1.00 52.40 H new ATOM 0 HG3 ARG A 57 -20.414 17.216 -9.286 1.00 52.40 H new ATOM 0 HD2 ARG A 57 -22.158 17.034 -10.855 1.00 50.51 H new ATOM 0 HD3 ARG A 57 -20.842 16.177 -11.634 1.00 50.51 H new ATOM 0 HE ARG A 57 -22.740 14.555 -10.008 1.00 41.32 H new ATOM 0 HH11 ARG A 57 -21.642 15.537 -13.240 1.00 43.53 H new ATOM 0 HH12 ARG A 57 -22.498 14.222 -14.051 1.00 43.53 H new ATOM 0 HH21 ARG A 57 -23.852 12.880 -11.068 1.00 74.55 H new ATOM 0 HH22 ARG A 57 -23.747 12.721 -12.824 1.00 74.55 H new ATOM 729 N TRP A 58 -17.883 12.636 -8.936 1.00 72.24 N ATOM 730 CA TRP A 58 -16.653 11.879 -8.847 1.00 12.54 C ATOM 731 C TRP A 58 -16.727 10.586 -9.643 1.00 22.21 C ATOM 732 O TRP A 58 -15.737 10.155 -10.206 1.00 73.30 O ATOM 733 CB TRP A 58 -16.272 11.581 -7.388 1.00 14.12 C ATOM 734 CG TRP A 58 -15.810 12.780 -6.605 1.00 33.31 C ATOM 735 CD1 TRP A 58 -16.314 13.255 -5.414 1.00 22.54 C ATOM 736 CD2 TRP A 58 -14.741 13.660 -6.964 1.00 55.21 C ATOM 737 NE1 TRP A 58 -15.612 14.354 -5.016 1.00 70.33 N ATOM 738 CE2 TRP A 58 -14.634 14.626 -5.953 1.00 74.13 C ATOM 739 CE3 TRP A 58 -13.854 13.718 -8.049 1.00 52.11 C ATOM 740 CZ2 TRP A 58 -13.671 15.635 -5.997 1.00 25.33 C ATOM 741 CZ3 TRP A 58 -12.911 14.718 -8.087 1.00 30.22 C ATOM 742 CH2 TRP A 58 -12.823 15.660 -7.068 1.00 54.05 C ATOM 0 H TRP A 58 -18.353 12.760 -8.039 1.00 72.24 H new ATOM 0 HA TRP A 58 -15.873 12.503 -9.283 1.00 12.54 H new ATOM 0 HB2 TRP A 58 -17.133 11.143 -6.883 1.00 14.12 H new ATOM 0 HB3 TRP A 58 -15.482 10.830 -7.378 1.00 14.12 H new ATOM 0 HD1 TRP A 58 -17.143 12.821 -4.875 1.00 22.54 H new ATOM 0 HE1 TRP A 58 -15.782 14.889 -4.164 1.00 70.33 H new ATOM 0 HE3 TRP A 58 -13.911 12.988 -8.843 1.00 52.11 H new ATOM 0 HZ2 TRP A 58 -13.598 16.372 -5.211 1.00 25.33 H new ATOM 0 HZ3 TRP A 58 -12.228 14.773 -8.922 1.00 30.22 H new ATOM 0 HH2 TRP A 58 -12.067 16.429 -7.124 1.00 54.05 H new ATOM 753 N LEU A 59 -17.911 9.988 -9.709 1.00 12.13 N ATOM 754 CA LEU A 59 -18.118 8.746 -10.458 1.00 44.35 C ATOM 755 C LEU A 59 -17.710 8.927 -11.925 1.00 65.13 C ATOM 756 O LEU A 59 -17.017 8.076 -12.499 1.00 51.53 O ATOM 757 CB LEU A 59 -19.582 8.291 -10.363 1.00 61.34 C ATOM 758 CG LEU A 59 -19.933 6.986 -11.078 1.00 1.34 C ATOM 759 CD1 LEU A 59 -19.173 5.807 -10.484 1.00 3.24 C ATOM 760 CD2 LEU A 59 -21.433 6.741 -11.041 1.00 71.15 C ATOM 0 H LEU A 59 -18.750 10.343 -9.251 1.00 12.13 H new ATOM 0 HA LEU A 59 -17.489 7.974 -10.016 1.00 44.35 H new ATOM 0 HB2 LEU A 59 -19.839 8.184 -9.309 1.00 61.34 H new ATOM 0 HB3 LEU A 59 -20.213 9.083 -10.766 1.00 61.34 H new ATOM 0 HG LEU A 59 -19.628 7.082 -12.120 1.00 1.34 H new ATOM 0 HD11 LEU A 59 -19.445 4.894 -11.014 1.00 3.24 H new ATOM 0 HD12 LEU A 59 -18.101 5.978 -10.582 1.00 3.24 H new ATOM 0 HD13 LEU A 59 -19.428 5.704 -9.429 1.00 3.24 H new ATOM 0 HD21 LEU A 59 -21.662 5.808 -11.555 1.00 71.15 H new ATOM 0 HD22 LEU A 59 -21.766 6.676 -10.005 1.00 71.15 H new ATOM 0 HD23 LEU A 59 -21.948 7.564 -11.536 1.00 71.15 H new ATOM 772 N HIS A 60 -18.100 10.055 -12.511 1.00 41.55 N ATOM 773 CA HIS A 60 -17.740 10.360 -13.897 1.00 34.31 C ATOM 774 C HIS A 60 -16.242 10.583 -13.997 1.00 14.32 C ATOM 775 O HIS A 60 -15.598 10.177 -14.964 1.00 73.42 O ATOM 776 CB HIS A 60 -18.479 11.604 -14.426 1.00 11.21 C ATOM 777 CG HIS A 60 -19.972 11.470 -14.532 1.00 44.44 C ATOM 778 ND1 HIS A 60 -20.636 11.135 -15.694 1.00 4.44 N ATOM 779 CD2 HIS A 60 -20.933 11.683 -13.607 1.00 41.30 C ATOM 780 CE1 HIS A 60 -21.948 11.161 -15.446 1.00 11.43 C ATOM 781 NE2 HIS A 60 -22.188 11.491 -14.189 1.00 15.12 N ATOM 0 H HIS A 60 -18.663 10.772 -12.053 1.00 41.55 H new ATOM 0 HA HIS A 60 -18.038 9.509 -14.510 1.00 34.31 H new ATOM 0 HB2 HIS A 60 -18.252 12.446 -13.772 1.00 11.21 H new ATOM 0 HB3 HIS A 60 -18.082 11.850 -15.411 1.00 11.21 H new ATOM 0 HD1 HIS A 60 -20.200 10.907 -16.588 1.00 4.44 H new ATOM 0 HD2 HIS A 60 -20.758 11.959 -12.578 1.00 41.30 H new ATOM 0 HE1 HIS A 60 -22.712 10.941 -16.177 1.00 11.43 H new ATOM 789 N TRP A 61 -15.697 11.196 -12.965 1.00 4.24 N ATOM 790 CA TRP A 61 -14.285 11.481 -12.874 1.00 35.42 C ATOM 791 C TRP A 61 -13.475 10.164 -12.821 1.00 2.33 C ATOM 792 O TRP A 61 -12.374 10.080 -13.360 1.00 73.31 O ATOM 793 CB TRP A 61 -14.014 12.364 -11.633 1.00 4.12 C ATOM 794 CG TRP A 61 -12.585 12.767 -11.449 1.00 3.02 C ATOM 795 CD1 TRP A 61 -12.006 13.943 -11.823 1.00 51.11 C ATOM 796 CD2 TRP A 61 -11.553 11.987 -10.848 1.00 4.21 C ATOM 797 NE1 TRP A 61 -10.674 13.927 -11.507 1.00 31.44 N ATOM 798 CE2 TRP A 61 -10.379 12.739 -10.902 1.00 24.41 C ATOM 799 CE3 TRP A 61 -11.516 10.713 -10.273 1.00 63.24 C ATOM 800 CZ2 TRP A 61 -9.192 12.268 -10.412 1.00 45.34 C ATOM 801 CZ3 TRP A 61 -10.330 10.248 -9.787 1.00 11.53 C ATOM 802 CH2 TRP A 61 -9.185 11.023 -9.860 1.00 62.32 C ATOM 0 H TRP A 61 -16.233 11.513 -12.157 1.00 4.24 H new ATOM 0 HA TRP A 61 -13.965 12.029 -13.760 1.00 35.42 H new ATOM 0 HB2 TRP A 61 -14.624 13.264 -11.705 1.00 4.12 H new ATOM 0 HB3 TRP A 61 -14.343 11.827 -10.743 1.00 4.12 H new ATOM 0 HD1 TRP A 61 -12.521 14.765 -12.298 1.00 51.11 H new ATOM 0 HE1 TRP A 61 -10.011 14.679 -11.693 1.00 31.44 H new ATOM 0 HE3 TRP A 61 -12.409 10.109 -10.215 1.00 63.24 H new ATOM 0 HZ2 TRP A 61 -8.292 12.863 -10.461 1.00 45.34 H new ATOM 0 HZ3 TRP A 61 -10.283 9.266 -9.341 1.00 11.53 H new ATOM 0 HH2 TRP A 61 -8.259 10.629 -9.468 1.00 62.32 H new ATOM 813 N PHE A 62 -14.003 9.164 -12.157 1.00 31.40 N ATOM 814 CA PHE A 62 -13.349 7.865 -12.102 1.00 51.40 C ATOM 815 C PHE A 62 -13.405 7.163 -13.434 1.00 21.54 C ATOM 816 O PHE A 62 -12.372 6.853 -14.046 1.00 53.11 O ATOM 817 CB PHE A 62 -13.982 6.952 -11.056 1.00 64.21 C ATOM 818 CG PHE A 62 -13.618 7.247 -9.645 1.00 2.04 C ATOM 819 CD1 PHE A 62 -14.503 7.869 -8.794 1.00 61.35 C ATOM 820 CD2 PHE A 62 -12.392 6.864 -9.161 1.00 65.42 C ATOM 821 CE1 PHE A 62 -14.172 8.101 -7.484 1.00 3.04 C ATOM 822 CE2 PHE A 62 -12.052 7.099 -7.851 1.00 51.20 C ATOM 823 CZ PHE A 62 -12.940 7.711 -7.016 1.00 44.21 C ATOM 0 H PHE A 62 -14.884 9.218 -11.645 1.00 31.40 H new ATOM 0 HA PHE A 62 -12.312 8.063 -11.830 1.00 51.40 H new ATOM 0 HB2 PHE A 62 -15.066 7.013 -11.154 1.00 64.21 H new ATOM 0 HB3 PHE A 62 -13.699 5.923 -11.278 1.00 64.21 H new ATOM 0 HD1 PHE A 62 -15.470 8.178 -9.163 1.00 61.35 H new ATOM 0 HD2 PHE A 62 -11.688 6.373 -9.816 1.00 65.42 H new ATOM 0 HE1 PHE A 62 -14.875 8.587 -6.824 1.00 3.04 H new ATOM 0 HE2 PHE A 62 -11.082 6.799 -7.482 1.00 51.20 H new ATOM 0 HZ PHE A 62 -12.674 7.890 -5.985 1.00 44.21 H new ATOM 833 N ARG A 63 -14.605 6.959 -13.906 1.00 2.13 N ATOM 834 CA ARG A 63 -14.848 6.164 -15.094 1.00 72.30 C ATOM 835 C ARG A 63 -14.240 6.815 -16.367 1.00 15.32 C ATOM 836 O ARG A 63 -14.061 6.133 -17.361 1.00 64.44 O ATOM 837 CB ARG A 63 -16.358 5.925 -15.263 1.00 11.33 C ATOM 838 CG ARG A 63 -17.074 5.315 -14.040 1.00 42.24 C ATOM 839 CD ARG A 63 -17.239 3.790 -14.111 1.00 1.15 C ATOM 840 NE ARG A 63 -15.982 3.027 -14.096 1.00 52.15 N ATOM 841 CZ ARG A 63 -15.913 1.675 -14.161 1.00 55.42 C ATOM 842 NH1 ARG A 63 -17.025 0.938 -14.193 1.00 23.42 N1+ ATOM 843 NH2 ARG A 63 -14.740 1.073 -14.164 1.00 4.12 N ATOM 0 H ARG A 63 -15.450 7.339 -13.480 1.00 2.13 H new ATOM 0 HA ARG A 63 -14.348 5.204 -14.964 1.00 72.30 H new ATOM 0 HB2 ARG A 63 -16.834 6.875 -15.504 1.00 11.33 H new ATOM 0 HB3 ARG A 63 -16.511 5.266 -16.118 1.00 11.33 H new ATOM 0 HG2 ARG A 63 -16.514 5.568 -13.140 1.00 42.24 H new ATOM 0 HG3 ARG A 63 -18.058 5.773 -13.942 1.00 42.24 H new ATOM 0 HD2 ARG A 63 -17.853 3.467 -13.270 1.00 1.15 H new ATOM 0 HD3 ARG A 63 -17.787 3.541 -15.020 1.00 1.15 H new ATOM 0 HE ARG A 63 -15.107 3.548 -14.033 1.00 52.15 H new ATOM 0 HH11 ARG A 63 -17.938 1.392 -14.169 1.00 23.42 H new ATOM 0 HH12 ARG A 63 -16.962 -0.079 -14.242 1.00 23.42 H new ATOM 0 HH21 ARG A 63 -13.883 1.625 -14.117 1.00 4.12 H new ATOM 0 HH22 ARG A 63 -14.689 0.055 -14.213 1.00 4.12 H new ATOM 857 N LYS A 64 -13.887 8.128 -16.292 1.00 43.22 N ATOM 858 CA LYS A 64 -13.292 8.873 -17.436 1.00 62.23 C ATOM 859 C LYS A 64 -12.015 8.187 -17.957 1.00 64.53 C ATOM 860 O LYS A 64 -11.778 8.132 -19.146 1.00 21.10 O ATOM 861 CB LYS A 64 -12.939 10.356 -17.056 1.00 75.22 C ATOM 862 CG LYS A 64 -11.690 10.498 -16.181 1.00 22.52 C ATOM 863 CD LYS A 64 -11.270 11.934 -15.919 1.00 35.20 C ATOM 864 CE LYS A 64 -9.912 11.964 -15.200 1.00 22.21 C ATOM 865 NZ LYS A 64 -9.963 11.393 -13.827 1.00 1.34 N1+ ATOM 0 H LYS A 64 -14.005 8.692 -15.450 1.00 43.22 H new ATOM 0 HA LYS A 64 -14.052 8.875 -18.217 1.00 62.23 H new ATOM 0 HB2 LYS A 64 -12.795 10.930 -17.972 1.00 75.22 H new ATOM 0 HB3 LYS A 64 -13.788 10.797 -16.533 1.00 75.22 H new ATOM 0 HG2 LYS A 64 -11.872 10.005 -15.226 1.00 22.52 H new ATOM 0 HG3 LYS A 64 -10.864 9.972 -16.659 1.00 22.52 H new ATOM 0 HD2 LYS A 64 -11.204 12.479 -16.860 1.00 35.20 H new ATOM 0 HD3 LYS A 64 -12.023 12.436 -15.312 1.00 35.20 H new ATOM 0 HE2 LYS A 64 -9.183 11.409 -15.791 1.00 22.21 H new ATOM 0 HE3 LYS A 64 -9.560 12.994 -15.145 1.00 22.21 H new ATOM 0 HZ1 LYS A 64 -9.123 10.802 -13.665 1.00 1.34 H new ATOM 0 HZ2 LYS A 64 -9.982 12.165 -13.130 1.00 1.34 H new ATOM 0 HZ3 LYS A 64 -10.820 10.813 -13.724 1.00 1.34 H new ATOM 879 N ASN A 65 -11.203 7.679 -17.037 1.00 63.21 N ATOM 880 CA ASN A 65 -9.919 7.084 -17.394 1.00 45.31 C ATOM 881 C ASN A 65 -9.970 5.606 -17.059 1.00 13.31 C ATOM 882 O ASN A 65 -8.961 4.955 -16.808 1.00 60.41 O ATOM 883 CB ASN A 65 -8.775 7.806 -16.638 1.00 22.21 C ATOM 884 CG ASN A 65 -7.377 7.479 -17.175 1.00 2.12 C ATOM 885 OD1 ASN A 65 -7.203 7.191 -18.349 1.00 2.34 O ATOM 886 ND2 ASN A 65 -6.372 7.560 -16.329 1.00 54.43 N ATOM 0 H ASN A 65 -11.410 7.667 -16.038 1.00 63.21 H new ATOM 0 HA ASN A 65 -9.723 7.197 -18.460 1.00 45.31 H new ATOM 0 HB2 ASN A 65 -8.935 8.883 -16.698 1.00 22.21 H new ATOM 0 HB3 ASN A 65 -8.821 7.535 -15.583 1.00 22.21 H new ATOM 0 HD21 ASN A 65 -5.420 7.380 -16.649 1.00 54.43 H new ATOM 0 HD22 ASN A 65 -6.545 7.803 -15.353 1.00 54.43 H new ATOM 893 N GLY A 66 -11.186 5.092 -17.040 1.00 30.21 N ATOM 894 CA GLY A 66 -11.411 3.695 -16.788 1.00 30.13 C ATOM 895 C GLY A 66 -11.156 3.274 -15.353 1.00 63.20 C ATOM 896 O GLY A 66 -10.853 2.117 -15.104 1.00 41.21 O ATOM 0 H GLY A 66 -12.036 5.634 -17.199 1.00 30.21 H new ATOM 0 HA2 GLY A 66 -12.441 3.451 -17.049 1.00 30.13 H new ATOM 0 HA3 GLY A 66 -10.768 3.110 -17.446 1.00 30.13 H new ATOM 900 N TYR A 67 -11.285 4.195 -14.396 1.00 71.14 N ATOM 901 CA TYR A 67 -11.091 3.813 -13.008 1.00 22.02 C ATOM 902 C TYR A 67 -12.199 2.952 -12.552 1.00 54.43 C ATOM 903 O TYR A 67 -13.363 3.172 -12.908 1.00 22.30 O ATOM 904 CB TYR A 67 -10.815 4.976 -12.080 1.00 61.55 C ATOM 905 CG TYR A 67 -9.501 5.588 -12.401 1.00 53.12 C ATOM 906 CD1 TYR A 67 -9.399 6.878 -12.862 1.00 64.11 C ATOM 907 CD2 TYR A 67 -8.353 4.831 -12.300 1.00 53.23 C ATOM 908 CE1 TYR A 67 -8.180 7.397 -13.219 1.00 13.11 C ATOM 909 CE2 TYR A 67 -7.139 5.340 -12.636 1.00 54.22 C ATOM 910 CZ TYR A 67 -7.050 6.619 -13.101 1.00 72.23 C ATOM 911 OH TYR A 67 -5.831 7.117 -13.474 1.00 30.33 O ATOM 0 H TYR A 67 -11.515 5.176 -14.553 1.00 71.14 H new ATOM 0 HA TYR A 67 -10.173 3.227 -12.965 1.00 22.02 H new ATOM 0 HB2 TYR A 67 -11.604 5.722 -12.175 1.00 61.55 H new ATOM 0 HB3 TYR A 67 -10.822 4.634 -11.045 1.00 61.55 H new ATOM 0 HD1 TYR A 67 -10.286 7.489 -12.944 1.00 64.11 H new ATOM 0 HD2 TYR A 67 -8.420 3.813 -11.947 1.00 53.23 H new ATOM 0 HE1 TYR A 67 -8.107 8.409 -13.590 1.00 13.11 H new ATOM 0 HE2 TYR A 67 -6.250 4.735 -12.535 1.00 54.22 H new ATOM 0 HH TYR A 67 -5.197 7.020 -12.733 1.00 30.33 H new ATOM 921 N ARG A 68 -11.856 2.001 -11.760 1.00 63.11 N ATOM 922 CA ARG A 68 -12.730 0.896 -11.505 1.00 74.30 C ATOM 923 C ARG A 68 -13.487 1.059 -10.231 1.00 23.13 C ATOM 924 O ARG A 68 -12.980 0.701 -9.167 1.00 54.02 O ATOM 925 CB ARG A 68 -11.909 -0.395 -11.458 1.00 60.34 C ATOM 926 CG ARG A 68 -12.640 -1.696 -11.736 1.00 62.42 C ATOM 927 CD ARG A 68 -13.742 -2.007 -10.756 1.00 50.13 C ATOM 928 NE ARG A 68 -15.069 -1.702 -11.309 1.00 1.11 N ATOM 929 CZ ARG A 68 -16.204 -1.522 -10.614 1.00 63.14 C ATOM 930 NH1 ARG A 68 -16.183 -1.522 -9.272 1.00 32.53 N1+ ATOM 931 NH2 ARG A 68 -17.354 -1.361 -11.271 1.00 20.32 N ATOM 0 H ARG A 68 -10.964 1.960 -11.267 1.00 63.11 H new ATOM 0 HA ARG A 68 -13.460 0.853 -12.313 1.00 74.30 H new ATOM 0 HB2 ARG A 68 -11.096 -0.304 -12.179 1.00 60.34 H new ATOM 0 HB3 ARG A 68 -11.453 -0.469 -10.471 1.00 60.34 H new ATOM 0 HG2 ARG A 68 -13.063 -1.655 -12.740 1.00 62.42 H new ATOM 0 HG3 ARG A 68 -11.919 -2.514 -11.727 1.00 62.42 H new ATOM 0 HD2 ARG A 68 -13.697 -3.061 -10.481 1.00 50.13 H new ATOM 0 HD3 ARG A 68 -13.588 -1.432 -9.843 1.00 50.13 H new ATOM 0 HE ARG A 68 -15.135 -1.619 -12.323 1.00 1.11 H new ATOM 0 HH11 ARG A 68 -15.302 -1.659 -8.776 1.00 32.53 H new ATOM 0 HH12 ARG A 68 -17.048 -1.385 -8.748 1.00 32.53 H new ATOM 0 HH21 ARG A 68 -17.365 -1.375 -12.291 1.00 20.32 H new ATOM 0 HH22 ARG A 68 -18.222 -1.224 -10.753 1.00 20.32 H new ATOM 945 N LEU A 69 -14.655 1.641 -10.324 1.00 44.10 N ATOM 946 CA LEU A 69 -15.579 1.637 -9.226 1.00 51.21 C ATOM 947 C LEU A 69 -16.924 2.104 -9.653 1.00 21.21 C ATOM 948 O LEU A 69 -17.050 2.887 -10.612 1.00 41.54 O ATOM 949 CB LEU A 69 -15.054 2.367 -7.963 1.00 61.22 C ATOM 950 CG LEU A 69 -14.641 3.824 -8.091 1.00 13.41 C ATOM 951 CD1 LEU A 69 -15.842 4.758 -8.068 1.00 64.45 C ATOM 952 CD2 LEU A 69 -13.637 4.166 -7.012 1.00 13.35 C ATOM 0 H LEU A 69 -14.988 2.127 -11.157 1.00 44.10 H new ATOM 0 HA LEU A 69 -15.681 0.598 -8.912 1.00 51.21 H new ATOM 0 HB2 LEU A 69 -15.829 2.307 -7.199 1.00 61.22 H new ATOM 0 HB3 LEU A 69 -14.195 1.810 -7.590 1.00 61.22 H new ATOM 0 HG LEU A 69 -14.166 3.966 -9.062 1.00 13.41 H new ATOM 0 HD11 LEU A 69 -15.503 5.790 -8.162 1.00 64.45 H new ATOM 0 HD12 LEU A 69 -16.506 4.517 -8.898 1.00 64.45 H new ATOM 0 HD13 LEU A 69 -16.379 4.637 -7.127 1.00 64.45 H new ATOM 0 HD21 LEU A 69 -13.343 5.211 -7.107 1.00 13.35 H new ATOM 0 HD22 LEU A 69 -14.086 4.003 -6.032 1.00 13.35 H new ATOM 0 HD23 LEU A 69 -12.758 3.531 -7.119 1.00 13.35 H new ATOM 964 N THR A 70 -17.909 1.589 -9.017 1.00 12.22 N ATOM 965 CA THR A 70 -19.221 2.048 -9.174 1.00 3.51 C ATOM 966 C THR A 70 -19.473 2.869 -7.907 1.00 22.03 C ATOM 967 O THR A 70 -18.672 2.816 -6.957 1.00 1.42 O ATOM 968 CB THR A 70 -20.206 0.865 -9.260 1.00 34.12 C ATOM 969 OG1 THR A 70 -19.522 -0.279 -9.806 1.00 53.21 O ATOM 970 CG2 THR A 70 -21.390 1.212 -10.155 1.00 54.01 C ATOM 0 H THR A 70 -17.814 0.817 -8.358 1.00 12.22 H new ATOM 0 HA THR A 70 -19.360 2.626 -10.088 1.00 3.51 H new ATOM 0 HB THR A 70 -20.576 0.644 -8.259 1.00 34.12 H new ATOM 0 HG1 THR A 70 -19.015 -0.726 -9.097 1.00 53.21 H new ATOM 0 HG21 THR A 70 -22.072 0.363 -10.201 1.00 54.01 H new ATOM 0 HG22 THR A 70 -21.914 2.076 -9.747 1.00 54.01 H new ATOM 0 HG23 THR A 70 -21.032 1.445 -11.158 1.00 54.01 H new ATOM 978 N LEU A 71 -20.524 3.606 -7.858 1.00 54.13 N ATOM 979 CA LEU A 71 -20.716 4.485 -6.736 1.00 31.23 C ATOM 980 C LEU A 71 -21.238 3.751 -5.517 1.00 53.11 C ATOM 981 O LEU A 71 -21.067 4.212 -4.393 1.00 44.53 O ATOM 982 CB LEU A 71 -21.643 5.571 -7.088 1.00 32.42 C ATOM 983 CG LEU A 71 -21.582 6.810 -6.226 1.00 30.44 C ATOM 984 CD1 LEU A 71 -20.186 7.337 -6.254 1.00 61.25 C ATOM 985 CD2 LEU A 71 -22.556 7.849 -6.729 1.00 0.01 C ATOM 0 H LEU A 71 -21.260 3.627 -8.564 1.00 54.13 H new ATOM 0 HA LEU A 71 -19.739 4.899 -6.486 1.00 31.23 H new ATOM 0 HB2 LEU A 71 -21.451 5.863 -8.121 1.00 32.42 H new ATOM 0 HB3 LEU A 71 -22.659 5.179 -7.051 1.00 32.42 H new ATOM 0 HG LEU A 71 -21.860 6.565 -5.201 1.00 30.44 H new ATOM 0 HD11 LEU A 71 -20.123 8.233 -5.636 1.00 61.25 H new ATOM 0 HD12 LEU A 71 -19.504 6.580 -5.867 1.00 61.25 H new ATOM 0 HD13 LEU A 71 -19.911 7.583 -7.279 1.00 61.25 H new ATOM 0 HD21 LEU A 71 -22.500 8.736 -6.098 1.00 0.01 H new ATOM 0 HD22 LEU A 71 -22.304 8.118 -7.755 1.00 0.01 H new ATOM 0 HD23 LEU A 71 -23.568 7.445 -6.698 1.00 0.01 H new ATOM 997 N ARG A 72 -21.887 2.616 -5.737 1.00 72.24 N ATOM 998 CA ARG A 72 -22.462 1.843 -4.640 1.00 75.34 C ATOM 999 C ARG A 72 -21.372 1.412 -3.665 1.00 45.11 C ATOM 1000 O ARG A 72 -21.620 1.278 -2.456 1.00 3.34 O ATOM 1001 CB ARG A 72 -23.270 0.626 -5.160 1.00 32.24 C ATOM 1002 CG ARG A 72 -23.823 -0.284 -4.065 1.00 61.43 C ATOM 1003 CD ARG A 72 -24.657 0.516 -3.104 1.00 75.43 C ATOM 1004 NE ARG A 72 -25.085 -0.251 -1.920 1.00 52.15 N ATOM 1005 CZ ARG A 72 -24.656 -0.003 -0.657 1.00 55.24 C ATOM 1006 NH1 ARG A 72 -23.570 0.754 -0.455 1.00 75.51 N1+ ATOM 1007 NH2 ARG A 72 -25.258 -0.586 0.387 1.00 12.44 N ATOM 0 H ARG A 72 -22.029 2.209 -6.661 1.00 72.24 H new ATOM 0 HA ARG A 72 -23.163 2.485 -4.107 1.00 75.34 H new ATOM 0 HB2 ARG A 72 -24.100 0.990 -5.766 1.00 32.24 H new ATOM 0 HB3 ARG A 72 -22.631 0.036 -5.817 1.00 32.24 H new ATOM 0 HG2 ARG A 72 -24.425 -1.077 -4.509 1.00 61.43 H new ATOM 0 HG3 ARG A 72 -23.003 -0.767 -3.533 1.00 61.43 H new ATOM 0 HD2 ARG A 72 -24.087 1.386 -2.777 1.00 75.43 H new ATOM 0 HD3 ARG A 72 -25.539 0.889 -3.624 1.00 75.43 H new ATOM 0 HE ARG A 72 -25.745 -1.016 -2.059 1.00 52.15 H new ATOM 0 HH11 ARG A 72 -23.065 1.144 -1.251 1.00 75.51 H new ATOM 0 HH12 ARG A 72 -23.248 0.940 0.495 1.00 75.51 H new ATOM 0 HH21 ARG A 72 -26.043 -1.220 0.235 1.00 12.44 H new ATOM 0 HH22 ARG A 72 -24.932 -0.397 1.335 1.00 12.44 H new ATOM 1021 N GLU A 73 -20.184 1.273 -4.185 1.00 65.04 N ATOM 1022 CA GLU A 73 -19.025 0.867 -3.402 1.00 53.34 C ATOM 1023 C GLU A 73 -18.601 1.989 -2.500 1.00 1.31 C ATOM 1024 O GLU A 73 -18.262 1.794 -1.329 1.00 33.12 O ATOM 1025 CB GLU A 73 -17.848 0.450 -4.291 1.00 0.13 C ATOM 1026 CG GLU A 73 -18.118 -0.767 -5.143 1.00 50.31 C ATOM 1027 CD GLU A 73 -18.766 -0.479 -6.481 1.00 41.30 C ATOM 1028 OE1 GLU A 73 -19.931 -0.034 -6.514 1.00 3.05 O ATOM 1029 OE2 GLU A 73 -18.100 -0.707 -7.547 1.00 15.11 O1- ATOM 0 H GLU A 73 -19.980 1.437 -5.171 1.00 65.04 H new ATOM 0 HA GLU A 73 -19.317 0.001 -2.809 1.00 53.34 H new ATOM 0 HB2 GLU A 73 -17.585 1.284 -4.941 1.00 0.13 H new ATOM 0 HB3 GLU A 73 -16.982 0.253 -3.659 1.00 0.13 H new ATOM 0 HG2 GLU A 73 -17.176 -1.287 -5.317 1.00 50.31 H new ATOM 0 HG3 GLU A 73 -18.760 -1.448 -4.584 1.00 50.31 H new ATOM 1036 N LEU A 74 -18.664 3.159 -3.044 1.00 75.14 N ATOM 1037 CA LEU A 74 -18.322 4.383 -2.308 1.00 73.52 C ATOM 1038 C LEU A 74 -19.348 4.653 -1.203 1.00 24.51 C ATOM 1039 O LEU A 74 -19.035 5.252 -0.186 1.00 65.22 O ATOM 1040 CB LEU A 74 -18.188 5.596 -3.244 1.00 61.13 C ATOM 1041 CG LEU A 74 -17.246 5.419 -4.447 1.00 72.03 C ATOM 1042 CD1 LEU A 74 -16.937 6.751 -5.106 1.00 54.13 C ATOM 1043 CD2 LEU A 74 -15.968 4.714 -4.047 1.00 44.54 C ATOM 0 H LEU A 74 -18.951 3.319 -4.010 1.00 75.14 H new ATOM 0 HA LEU A 74 -17.348 4.226 -1.844 1.00 73.52 H new ATOM 0 HB2 LEU A 74 -19.179 5.852 -3.619 1.00 61.13 H new ATOM 0 HB3 LEU A 74 -17.840 6.446 -2.657 1.00 61.13 H new ATOM 0 HG LEU A 74 -17.763 4.793 -5.174 1.00 72.03 H new ATOM 0 HD11 LEU A 74 -16.269 6.592 -5.953 1.00 54.13 H new ATOM 0 HD12 LEU A 74 -17.863 7.208 -5.455 1.00 54.13 H new ATOM 0 HD13 LEU A 74 -16.457 7.411 -4.384 1.00 54.13 H new ATOM 0 HD21 LEU A 74 -15.324 4.605 -4.920 1.00 44.54 H new ATOM 0 HD22 LEU A 74 -15.452 5.300 -3.287 1.00 44.54 H new ATOM 0 HD23 LEU A 74 -16.206 3.729 -3.646 1.00 44.54 H new ATOM 1055 N TYR A 75 -20.572 4.188 -1.419 1.00 2.55 N ATOM 1056 CA TYR A 75 -21.619 4.253 -0.396 1.00 73.12 C ATOM 1057 C TYR A 75 -21.513 3.062 0.571 1.00 74.20 C ATOM 1058 O TYR A 75 -22.321 2.926 1.483 1.00 70.22 O ATOM 1059 CB TYR A 75 -23.020 4.197 -1.002 1.00 74.02 C ATOM 1060 CG TYR A 75 -23.583 5.425 -1.661 1.00 3.15 C ATOM 1061 CD1 TYR A 75 -23.542 5.586 -3.033 1.00 61.31 C ATOM 1062 CD2 TYR A 75 -24.235 6.388 -0.904 1.00 73.11 C ATOM 1063 CE1 TYR A 75 -24.131 6.674 -3.635 1.00 33.40 C ATOM 1064 CE2 TYR A 75 -24.817 7.486 -1.496 1.00 42.42 C ATOM 1065 CZ TYR A 75 -24.766 7.622 -2.863 1.00 10.52 C ATOM 1066 OH TYR A 75 -25.362 8.703 -3.463 1.00 13.25 O ATOM 0 H TYR A 75 -20.869 3.759 -2.296 1.00 2.55 H new ATOM 0 HA TYR A 75 -21.471 5.201 0.121 1.00 73.12 H new ATOM 0 HB2 TYR A 75 -23.026 3.396 -1.741 1.00 74.02 H new ATOM 0 HB3 TYR A 75 -23.709 3.905 -0.209 1.00 74.02 H new ATOM 0 HD1 TYR A 75 -23.041 4.848 -3.641 1.00 61.31 H new ATOM 0 HD2 TYR A 75 -24.287 6.274 0.169 1.00 73.11 H new ATOM 0 HE1 TYR A 75 -24.096 6.784 -4.709 1.00 33.40 H new ATOM 0 HE2 TYR A 75 -25.309 8.234 -0.892 1.00 42.42 H new ATOM 0 HH TYR A 75 -25.668 9.331 -2.776 1.00 13.25 H new ATOM 1076 N ALA A 76 -20.596 2.158 0.315 1.00 3.53 N ATOM 1077 CA ALA A 76 -20.425 0.999 1.177 1.00 75.32 C ATOM 1078 C ALA A 76 -19.329 1.278 2.168 1.00 25.23 C ATOM 1079 O ALA A 76 -19.494 1.091 3.366 1.00 12.13 O ATOM 1080 CB ALA A 76 -20.120 -0.255 0.362 1.00 3.31 C ATOM 0 H ALA A 76 -19.956 2.197 -0.479 1.00 3.53 H new ATOM 0 HA ALA A 76 -21.356 0.814 1.713 1.00 75.32 H new ATOM 0 HB1 ALA A 76 -19.997 -1.105 1.034 1.00 3.31 H new ATOM 0 HB2 ALA A 76 -20.943 -0.451 -0.325 1.00 3.31 H new ATOM 0 HB3 ALA A 76 -19.201 -0.106 -0.205 1.00 3.31 H new ATOM 1086 N ALA A 77 -18.223 1.743 1.663 1.00 42.32 N ATOM 1087 CA ALA A 77 -17.124 2.131 2.490 1.00 45.41 C ATOM 1088 C ALA A 77 -16.727 3.544 2.122 1.00 3.14 C ATOM 1089 O ALA A 77 -15.919 3.759 1.219 1.00 72.24 O ATOM 1090 CB ALA A 77 -15.951 1.166 2.338 1.00 13.54 C ATOM 0 H ALA A 77 -18.060 1.863 0.663 1.00 42.32 H new ATOM 0 HA ALA A 77 -17.422 2.097 3.538 1.00 45.41 H new ATOM 0 HB1 ALA A 77 -15.130 1.487 2.979 1.00 13.54 H new ATOM 0 HB2 ALA A 77 -16.265 0.163 2.626 1.00 13.54 H new ATOM 0 HB3 ALA A 77 -15.619 1.158 1.300 1.00 13.54 H new ATOM 1096 N PRO A 78 -17.331 4.545 2.751 1.00 72.14 N ATOM 1097 CA PRO A 78 -17.051 5.900 2.417 1.00 2.35 C ATOM 1098 C PRO A 78 -15.884 6.461 3.201 1.00 20.41 C ATOM 1099 O PRO A 78 -16.052 7.072 4.254 1.00 73.23 O ATOM 1100 CB PRO A 78 -18.340 6.637 2.766 1.00 23.03 C ATOM 1101 CG PRO A 78 -19.160 5.687 3.606 1.00 13.44 C ATOM 1102 CD PRO A 78 -18.337 4.442 3.808 1.00 31.21 C ATOM 0 HA PRO A 78 -16.762 6.005 1.371 1.00 2.35 H new ATOM 0 HB2 PRO A 78 -18.126 7.555 3.314 1.00 23.03 H new ATOM 0 HB3 PRO A 78 -18.880 6.923 1.864 1.00 23.03 H new ATOM 0 HG2 PRO A 78 -19.411 6.141 4.565 1.00 13.44 H new ATOM 0 HG3 PRO A 78 -20.101 5.449 3.109 1.00 13.44 H new ATOM 0 HD2 PRO A 78 -17.882 4.414 4.798 1.00 31.21 H new ATOM 0 HD3 PRO A 78 -18.938 3.539 3.708 1.00 31.21 H new ATOM 1110 N THR A 79 -14.724 6.240 2.673 1.00 12.22 N ATOM 1111 CA THR A 79 -13.475 6.720 3.196 1.00 35.32 C ATOM 1112 C THR A 79 -12.569 6.868 2.021 1.00 44.55 C ATOM 1113 O THR A 79 -12.758 6.138 1.044 1.00 11.00 O ATOM 1114 CB THR A 79 -12.838 5.704 4.186 1.00 52.54 C ATOM 1115 OG1 THR A 79 -12.898 4.375 3.631 1.00 25.32 O ATOM 1116 CG2 THR A 79 -13.511 5.735 5.547 1.00 32.52 C ATOM 0 H THR A 79 -14.611 5.692 1.820 1.00 12.22 H new ATOM 0 HA THR A 79 -13.630 7.653 3.737 1.00 35.32 H new ATOM 0 HB THR A 79 -11.797 5.993 4.332 1.00 52.54 H new ATOM 0 HG1 THR A 79 -12.494 3.740 4.258 1.00 25.32 H new ATOM 0 HG21 THR A 79 -13.034 5.010 6.206 1.00 32.52 H new ATOM 0 HG22 THR A 79 -13.417 6.732 5.977 1.00 32.52 H new ATOM 0 HG23 THR A 79 -14.566 5.485 5.437 1.00 32.52 H new ATOM 1124 N LEU A 80 -11.618 7.790 2.076 1.00 31.22 N ATOM 1125 CA LEU A 80 -10.668 7.978 0.975 1.00 63.25 C ATOM 1126 C LEU A 80 -10.048 6.673 0.572 1.00 51.43 C ATOM 1127 O LEU A 80 -10.004 6.324 -0.616 1.00 25.22 O ATOM 1128 CB LEU A 80 -9.535 8.820 1.396 1.00 21.24 C ATOM 1129 CG LEU A 80 -9.781 10.266 1.659 1.00 31.13 C ATOM 1130 CD1 LEU A 80 -8.526 10.816 2.218 1.00 60.41 C ATOM 1131 CD2 LEU A 80 -10.117 11.002 0.377 1.00 73.25 C ATOM 0 H LEU A 80 -11.479 8.420 2.866 1.00 31.22 H new ATOM 0 HA LEU A 80 -11.235 8.430 0.161 1.00 63.25 H new ATOM 0 HB2 LEU A 80 -9.118 8.384 2.304 1.00 21.24 H new ATOM 0 HB3 LEU A 80 -8.766 8.749 0.627 1.00 21.24 H new ATOM 0 HG LEU A 80 -10.621 10.386 2.343 1.00 31.13 H new ATOM 0 HD11 LEU A 80 -8.656 11.878 2.428 1.00 60.41 H new ATOM 0 HD12 LEU A 80 -8.278 10.291 3.140 1.00 60.41 H new ATOM 0 HD13 LEU A 80 -7.719 10.685 1.498 1.00 60.41 H new ATOM 0 HD21 LEU A 80 -10.292 12.055 0.597 1.00 73.25 H new ATOM 0 HD22 LEU A 80 -9.287 10.911 -0.323 1.00 73.25 H new ATOM 0 HD23 LEU A 80 -11.014 10.570 -0.066 1.00 73.25 H new ATOM 1143 N ALA A 81 -9.585 5.958 1.605 1.00 33.11 N ATOM 1144 CA ALA A 81 -8.905 4.674 1.489 1.00 3.12 C ATOM 1145 C ALA A 81 -9.600 3.749 0.527 1.00 4.13 C ATOM 1146 O ALA A 81 -8.964 3.177 -0.348 1.00 30.32 O ATOM 1147 CB ALA A 81 -8.811 3.999 2.850 1.00 40.42 C ATOM 0 H ALA A 81 -9.679 6.272 2.571 1.00 33.11 H new ATOM 0 HA ALA A 81 -7.906 4.878 1.104 1.00 3.12 H new ATOM 0 HB1 ALA A 81 -8.301 3.041 2.747 1.00 40.42 H new ATOM 0 HB2 ALA A 81 -8.251 4.636 3.534 1.00 40.42 H new ATOM 0 HB3 ALA A 81 -9.814 3.835 3.245 1.00 40.42 H new ATOM 1153 N ALA A 82 -10.907 3.643 0.658 1.00 13.24 N ATOM 1154 CA ALA A 82 -11.676 2.748 -0.164 1.00 1.12 C ATOM 1155 C ALA A 82 -11.638 3.152 -1.626 1.00 54.12 C ATOM 1156 O ALA A 82 -11.231 2.360 -2.449 1.00 42.15 O ATOM 1157 CB ALA A 82 -13.098 2.638 0.327 1.00 41.24 C ATOM 0 H ALA A 82 -11.457 4.173 1.334 1.00 13.24 H new ATOM 0 HA ALA A 82 -11.214 1.764 -0.084 1.00 1.12 H new ATOM 0 HB1 ALA A 82 -13.653 1.954 -0.315 1.00 41.24 H new ATOM 0 HB2 ALA A 82 -13.102 2.259 1.349 1.00 41.24 H new ATOM 0 HB3 ALA A 82 -13.568 3.621 0.303 1.00 41.24 H new ATOM 1163 N TRP A 83 -11.973 4.416 -1.931 1.00 40.33 N ATOM 1164 CA TRP A 83 -12.059 4.875 -3.341 1.00 15.20 C ATOM 1165 C TRP A 83 -10.660 4.752 -3.977 1.00 64.14 C ATOM 1166 O TRP A 83 -10.507 4.422 -5.151 1.00 72.51 O ATOM 1167 CB TRP A 83 -12.512 6.370 -3.489 1.00 22.24 C ATOM 1168 CG TRP A 83 -13.644 6.893 -2.643 1.00 22.22 C ATOM 1169 CD1 TRP A 83 -14.126 6.420 -1.468 1.00 73.42 C ATOM 1170 CD2 TRP A 83 -14.398 8.066 -2.932 1.00 12.11 C ATOM 1171 NE1 TRP A 83 -15.176 7.186 -1.045 1.00 32.45 N ATOM 1172 CE2 TRP A 83 -15.356 8.209 -1.928 1.00 51.51 C ATOM 1173 CE3 TRP A 83 -14.361 9.001 -3.968 1.00 74.51 C ATOM 1174 CZ2 TRP A 83 -16.270 9.249 -1.927 1.00 73.41 C ATOM 1175 CZ3 TRP A 83 -15.259 10.029 -3.965 1.00 34.41 C ATOM 1176 CH2 TRP A 83 -16.201 10.148 -2.957 1.00 73.51 C ATOM 0 H TRP A 83 -12.187 5.134 -1.238 1.00 40.33 H new ATOM 0 HA TRP A 83 -12.807 4.251 -3.830 1.00 15.20 H new ATOM 0 HB2 TRP A 83 -11.641 6.995 -3.291 1.00 22.24 H new ATOM 0 HB3 TRP A 83 -12.786 6.526 -4.532 1.00 22.24 H new ATOM 0 HD1 TRP A 83 -13.736 5.561 -0.942 1.00 73.42 H new ATOM 0 HE1 TRP A 83 -15.733 7.020 -0.207 1.00 32.45 H new ATOM 0 HE3 TRP A 83 -13.632 8.912 -4.760 1.00 74.51 H new ATOM 0 HZ2 TRP A 83 -17.008 9.347 -1.145 1.00 73.41 H new ATOM 0 HZ3 TRP A 83 -15.234 10.760 -4.760 1.00 34.41 H new ATOM 0 HH2 TRP A 83 -16.899 10.971 -2.984 1.00 73.51 H new ATOM 1187 N ASN A 84 -9.656 5.006 -3.144 1.00 51.20 N ATOM 1188 CA ASN A 84 -8.241 4.958 -3.514 1.00 21.02 C ATOM 1189 C ASN A 84 -7.823 3.524 -3.865 1.00 0.51 C ATOM 1190 O ASN A 84 -7.259 3.266 -4.933 1.00 51.40 O ATOM 1191 CB ASN A 84 -7.404 5.472 -2.321 1.00 11.52 C ATOM 1192 CG ASN A 84 -5.908 5.570 -2.583 1.00 50.03 C ATOM 1193 OD1 ASN A 84 -5.408 6.607 -3.014 1.00 42.32 O ATOM 1194 ND2 ASN A 84 -5.179 4.523 -2.282 1.00 13.40 N ATOM 0 H ASN A 84 -9.805 5.258 -2.167 1.00 51.20 H new ATOM 0 HA ASN A 84 -8.073 5.584 -4.390 1.00 21.02 H new ATOM 0 HB2 ASN A 84 -7.773 6.457 -2.034 1.00 11.52 H new ATOM 0 HB3 ASN A 84 -7.567 4.811 -1.470 1.00 11.52 H new ATOM 0 HD21 ASN A 84 -4.167 4.554 -2.403 1.00 13.40 H new ATOM 0 HD22 ASN A 84 -5.624 3.677 -1.926 1.00 13.40 H new ATOM 1201 N GLN A 85 -8.124 2.591 -2.968 1.00 42.44 N ATOM 1202 CA GLN A 85 -7.748 1.188 -3.151 1.00 74.04 C ATOM 1203 C GLN A 85 -8.582 0.528 -4.217 1.00 1.20 C ATOM 1204 O GLN A 85 -8.104 -0.363 -4.877 1.00 22.22 O ATOM 1205 CB GLN A 85 -7.859 0.401 -1.849 1.00 14.53 C ATOM 1206 CG GLN A 85 -6.954 0.900 -0.739 1.00 0.23 C ATOM 1207 CD GLN A 85 -7.091 0.087 0.529 1.00 65.13 C ATOM 1208 OE1 GLN A 85 -7.385 -1.096 0.492 1.00 63.21 O ATOM 1209 NE2 GLN A 85 -6.888 0.717 1.660 1.00 60.00 N ATOM 0 H GLN A 85 -8.629 2.779 -2.102 1.00 42.44 H new ATOM 0 HA GLN A 85 -6.706 1.183 -3.470 1.00 74.04 H new ATOM 0 HB2 GLN A 85 -8.892 0.437 -1.503 1.00 14.53 H new ATOM 0 HB3 GLN A 85 -7.626 -0.645 -2.049 1.00 14.53 H new ATOM 0 HG2 GLN A 85 -5.918 0.868 -1.077 1.00 0.23 H new ATOM 0 HG3 GLN A 85 -7.188 1.943 -0.525 1.00 0.23 H new ATOM 0 HE21 GLN A 85 -6.643 1.707 1.655 1.00 60.00 H new ATOM 0 HE22 GLN A 85 -6.975 0.217 2.545 1.00 60.00 H new ATOM 1218 N LEU A 86 -9.822 0.979 -4.399 1.00 14.31 N ATOM 1219 CA LEU A 86 -10.702 0.424 -5.428 1.00 51.34 C ATOM 1220 C LEU A 86 -10.090 0.508 -6.811 1.00 70.30 C ATOM 1221 O LEU A 86 -10.368 -0.319 -7.662 1.00 51.15 O ATOM 1222 CB LEU A 86 -12.085 1.058 -5.398 1.00 30.23 C ATOM 1223 CG LEU A 86 -12.943 0.697 -4.182 1.00 34.21 C ATOM 1224 CD1 LEU A 86 -14.242 1.437 -4.225 1.00 22.05 C ATOM 1225 CD2 LEU A 86 -13.195 -0.804 -4.107 1.00 1.31 C ATOM 0 H LEU A 86 -10.241 1.728 -3.847 1.00 14.31 H new ATOM 0 HA LEU A 86 -10.822 -0.633 -5.192 1.00 51.34 H new ATOM 0 HB2 LEU A 86 -11.971 2.141 -5.433 1.00 30.23 H new ATOM 0 HB3 LEU A 86 -12.621 0.765 -6.301 1.00 30.23 H new ATOM 0 HG LEU A 86 -12.395 0.991 -3.287 1.00 34.21 H new ATOM 0 HD11 LEU A 86 -14.842 1.171 -3.355 1.00 22.05 H new ATOM 0 HD12 LEU A 86 -14.050 2.510 -4.219 1.00 22.05 H new ATOM 0 HD13 LEU A 86 -14.783 1.171 -5.133 1.00 22.05 H new ATOM 0 HD21 LEU A 86 -13.807 -1.027 -3.233 1.00 1.31 H new ATOM 0 HD22 LEU A 86 -13.715 -1.131 -5.007 1.00 1.31 H new ATOM 0 HD23 LEU A 86 -12.243 -1.329 -4.027 1.00 1.31 H new ATOM 1237 N MET A 87 -9.232 1.492 -7.024 1.00 53.03 N ATOM 1238 CA MET A 87 -8.517 1.583 -8.276 1.00 3.15 C ATOM 1239 C MET A 87 -7.518 0.421 -8.386 1.00 2.33 C ATOM 1240 O MET A 87 -7.554 -0.360 -9.341 1.00 1.35 O ATOM 1241 CB MET A 87 -7.765 2.922 -8.421 1.00 21.42 C ATOM 1242 CG MET A 87 -8.628 4.170 -8.514 1.00 62.42 C ATOM 1243 SD MET A 87 -7.610 5.642 -8.787 1.00 14.14 S ATOM 1244 CE MET A 87 -8.839 6.889 -9.147 1.00 71.32 C ATOM 0 H MET A 87 -9.018 2.229 -6.352 1.00 53.03 H new ATOM 0 HA MET A 87 -9.253 1.527 -9.078 1.00 3.15 H new ATOM 0 HB2 MET A 87 -7.094 3.032 -7.569 1.00 21.42 H new ATOM 0 HB3 MET A 87 -7.141 2.870 -9.313 1.00 21.42 H new ATOM 0 HG2 MET A 87 -9.344 4.062 -9.329 1.00 62.42 H new ATOM 0 HG3 MET A 87 -9.205 4.287 -7.597 1.00 62.42 H new ATOM 0 HE1 MET A 87 -8.389 7.681 -9.746 1.00 71.32 H new ATOM 0 HE2 MET A 87 -9.663 6.439 -9.700 1.00 71.32 H new ATOM 0 HE3 MET A 87 -9.215 7.309 -8.214 1.00 71.32 H new ATOM 1254 N LEU A 88 -6.650 0.291 -7.386 1.00 1.35 N ATOM 1255 CA LEU A 88 -5.589 -0.738 -7.419 1.00 72.11 C ATOM 1256 C LEU A 88 -6.084 -2.163 -7.176 1.00 63.51 C ATOM 1257 O LEU A 88 -5.709 -3.079 -7.912 1.00 3.52 O ATOM 1258 CB LEU A 88 -4.423 -0.447 -6.446 1.00 0.43 C ATOM 1259 CG LEU A 88 -3.641 0.864 -6.599 1.00 73.41 C ATOM 1260 CD1 LEU A 88 -3.551 1.306 -8.036 1.00 13.23 C ATOM 1261 CD2 LEU A 88 -4.190 1.941 -5.694 1.00 1.21 C ATOM 0 H LEU A 88 -6.651 0.873 -6.548 1.00 1.35 H new ATOM 0 HA LEU A 88 -5.225 -0.677 -8.445 1.00 72.11 H new ATOM 0 HB2 LEU A 88 -4.824 -0.476 -5.433 1.00 0.43 H new ATOM 0 HB3 LEU A 88 -3.711 -1.268 -6.530 1.00 0.43 H new ATOM 0 HG LEU A 88 -2.617 0.673 -6.278 1.00 73.41 H new ATOM 0 HD11 LEU A 88 -2.989 2.238 -8.095 1.00 13.23 H new ATOM 0 HD12 LEU A 88 -3.045 0.539 -8.622 1.00 13.23 H new ATOM 0 HD13 LEU A 88 -4.554 1.462 -8.432 1.00 13.23 H new ATOM 0 HD21 LEU A 88 -3.614 2.857 -5.827 1.00 1.21 H new ATOM 0 HD22 LEU A 88 -5.234 2.130 -5.945 1.00 1.21 H new ATOM 0 HD23 LEU A 88 -4.119 1.615 -4.656 1.00 1.21 H new ATOM 1273 N SER A 89 -6.913 -2.346 -6.176 1.00 4.25 N ATOM 1274 CA SER A 89 -7.394 -3.665 -5.772 1.00 61.02 C ATOM 1275 C SER A 89 -8.420 -4.227 -6.768 1.00 72.22 C ATOM 1276 O SER A 89 -9.002 -5.311 -6.569 1.00 12.24 O ATOM 1277 CB SER A 89 -7.981 -3.570 -4.364 1.00 62.22 C ATOM 1278 OG SER A 89 -7.031 -2.980 -3.480 1.00 4.10 O ATOM 0 H SER A 89 -7.282 -1.583 -5.609 1.00 4.25 H new ATOM 0 HA SER A 89 -6.555 -4.361 -5.768 1.00 61.02 H new ATOM 0 HB2 SER A 89 -8.894 -2.974 -4.381 1.00 62.22 H new ATOM 0 HB3 SER A 89 -8.255 -4.563 -4.007 1.00 62.22 H new ATOM 0 HG SER A 89 -7.009 -2.011 -3.623 1.00 4.10 H new ATOM 1284 N ARG A 90 -8.654 -3.487 -7.812 1.00 23.13 N ATOM 1285 CA ARG A 90 -9.505 -3.924 -8.859 1.00 63.12 C ATOM 1286 C ARG A 90 -8.798 -3.973 -10.173 1.00 71.30 C ATOM 1287 O ARG A 90 -8.484 -5.050 -10.635 1.00 4.54 O ATOM 1288 CB ARG A 90 -10.798 -3.121 -8.932 1.00 61.11 C ATOM 1289 CG ARG A 90 -11.821 -3.453 -7.842 1.00 31.23 C ATOM 1290 CD ARG A 90 -12.487 -4.819 -8.076 1.00 53.13 C ATOM 1291 NE ARG A 90 -11.538 -5.949 -8.068 1.00 14.34 N ATOM 1292 CZ ARG A 90 -11.605 -7.005 -8.906 1.00 25.31 C ATOM 1293 NH1 ARG A 90 -12.527 -7.048 -9.862 1.00 34.50 N1+ ATOM 1294 NH2 ARG A 90 -10.711 -7.991 -8.804 1.00 2.34 N ATOM 0 H ARG A 90 -8.254 -2.560 -7.954 1.00 23.13 H new ATOM 0 HA ARG A 90 -9.792 -4.947 -8.617 1.00 63.12 H new ATOM 0 HB2 ARG A 90 -10.555 -2.060 -8.872 1.00 61.11 H new ATOM 0 HB3 ARG A 90 -11.258 -3.287 -9.906 1.00 61.11 H new ATOM 0 HG2 ARG A 90 -11.329 -3.451 -6.870 1.00 31.23 H new ATOM 0 HG3 ARG A 90 -12.586 -2.677 -7.813 1.00 31.23 H new ATOM 0 HD2 ARG A 90 -13.240 -4.983 -7.306 1.00 53.13 H new ATOM 0 HD3 ARG A 90 -13.008 -4.800 -9.033 1.00 53.13 H new ATOM 0 HE ARG A 90 -10.781 -5.931 -7.384 1.00 14.34 H new ATOM 0 HH11 ARG A 90 -13.190 -6.280 -9.966 1.00 34.50 H new ATOM 0 HH12 ARG A 90 -12.572 -7.849 -10.492 1.00 34.50 H new ATOM 0 HH21 ARG A 90 -9.980 -7.945 -8.094 1.00 2.34 H new ATOM 0 HH22 ARG A 90 -10.759 -8.790 -9.436 1.00 2.34 H new ATOM 1308 N SER A 91 -8.410 -2.810 -10.664 1.00 24.41 N ATOM 1309 CA SER A 91 -7.942 -2.622 -12.044 1.00 41.53 C ATOM 1310 C SER A 91 -9.113 -2.914 -13.088 1.00 21.03 C ATOM 1311 O SER A 91 -9.755 -1.955 -13.508 1.00 23.02 O ATOM 1312 CB SER A 91 -6.592 -3.321 -12.303 1.00 0.33 C ATOM 1313 OG SER A 91 -5.674 -2.972 -11.270 1.00 51.44 O ATOM 0 H SER A 91 -8.407 -1.951 -10.115 1.00 24.41 H new ATOM 0 HA SER A 91 -7.699 -1.572 -12.205 1.00 41.53 H new ATOM 0 HB2 SER A 91 -6.729 -4.402 -12.333 1.00 0.33 H new ATOM 0 HB3 SER A 91 -6.195 -3.023 -13.274 1.00 0.33 H new ATOM 0 HG SER A 91 -5.746 -3.618 -10.537 1.00 51.44 H new ATOM 1319 N PRO A 92 -9.429 -4.198 -13.546 1.00 72.22 N ATOM 1320 CA PRO A 92 -10.683 -4.445 -14.274 1.00 73.01 C ATOM 1321 C PRO A 92 -11.860 -4.551 -13.279 1.00 50.32 C ATOM 1322 O PRO A 92 -11.624 -4.635 -12.063 1.00 32.02 O ATOM 1323 CB PRO A 92 -10.444 -5.789 -14.966 1.00 42.03 C ATOM 1324 CG PRO A 92 -9.494 -6.498 -14.078 1.00 74.03 C ATOM 1325 CD PRO A 92 -8.605 -5.438 -13.493 1.00 72.40 C ATOM 0 HA PRO A 92 -10.935 -3.650 -14.975 1.00 73.01 H new ATOM 0 HB2 PRO A 92 -11.373 -6.348 -15.080 1.00 42.03 H new ATOM 0 HB3 PRO A 92 -10.029 -5.653 -15.965 1.00 42.03 H new ATOM 0 HG2 PRO A 92 -10.023 -7.040 -13.294 1.00 74.03 H new ATOM 0 HG3 PRO A 92 -8.912 -7.232 -14.636 1.00 74.03 H new ATOM 0 HD2 PRO A 92 -8.316 -5.681 -12.470 1.00 72.40 H new ATOM 0 HD3 PRO A 92 -7.685 -5.329 -14.067 1.00 72.40 H new ATOM 1333 N GLU A 93 -13.098 -4.519 -13.807 1.00 32.25 N ATOM 1334 CA GLU A 93 -14.340 -4.552 -13.005 1.00 31.11 C ATOM 1335 C GLU A 93 -14.318 -5.640 -11.927 1.00 43.44 C ATOM 1336 O GLU A 93 -14.280 -5.290 -10.714 1.00 2.14 O ATOM 1337 CB GLU A 93 -15.588 -4.692 -13.902 1.00 22.13 C ATOM 1338 CG GLU A 93 -15.785 -3.553 -14.919 1.00 3.43 C ATOM 1339 CD GLU A 93 -15.907 -2.181 -14.274 1.00 53.03 C ATOM 1340 OE1 GLU A 93 -14.882 -1.521 -14.056 1.00 22.34 O ATOM 1341 OE2 GLU A 93 -17.032 -1.719 -13.964 1.00 61.41 O1- ATOM 1342 OXT GLU A 93 -14.245 -6.832 -12.277 1.00 38.86 O1- ATOM 0 H GLU A 93 -13.268 -4.469 -14.812 1.00 32.25 H new ATOM 0 HA GLU A 93 -14.396 -3.594 -12.488 1.00 31.11 H new ATOM 0 HB2 GLU A 93 -15.525 -5.636 -14.443 1.00 22.13 H new ATOM 0 HB3 GLU A 93 -16.471 -4.748 -13.265 1.00 22.13 H new ATOM 0 HG2 GLU A 93 -14.945 -3.546 -15.613 1.00 3.43 H new ATOM 0 HG3 GLU A 93 -16.682 -3.751 -15.506 1.00 3.43 H new TER 1349 GLU A 93